N E dE d eps ncg rms rms(c) DAV: 1 0.123897200634E+05 0.12390E+05 -0.30776E+05 4608 0.222E+03 DAV: 2 0.135738750837E+04 -0.11032E+05 -0.10369E+05 4608 0.704E+02 DAV: 3 -0.202827701215E+03 -0.15602E+04 -0.13288E+04 4608 0.296E+02 DAV: 4 -0.330227691281E+03 -0.12740E+03 -0.12167E+03 5676 0.101E+02 DAV: 5 -0.333461261746E+03 -0.32336E+01 -0.32095E+01 6576 0.158E+01 0.529E+01 RMM: 6 -0.438295673374E+03 -0.10483E+03 -0.24534E+02 5064 0.420E+01 0.123E+02 RMM: 7 -0.308983399883E+03 0.12931E+03 -0.81129E+01 4657 0.245E+01 0.426E+01 RMM: 8 -0.320216830627E+03 -0.11233E+02 -0.28718E+01 4934 0.139E+01 0.599E+01 RMM: 9 -0.295050359190E+03 0.25166E+02 -0.13518E+01 4672 0.103E+01 0.166E+01 RMM: 10 -0.293504132955E+03 0.15462E+01 -0.17676E+00 5012 0.350E+00 0.100E+01 RMM: 11 -0.293544835676E+03 -0.40703E-01 -0.10009E+00 5095 0.256E+00 0.118E+01 RMM: 12 -0.292565868611E+03 0.97897E+00 -0.59602E-01 4755 0.206E+00 0.336E+00 RMM: 13 -0.292571302056E+03 -0.54334E-02 -0.15691E-01 5262 0.102E+00 0.361E+00 RMM: 14 -0.292524931560E+03 0.46370E-01 -0.73262E-02 4854 0.769E-01 0.275E+00 RMM: 15 -0.292475666084E+03 0.49265E-01 -0.31947E-02 4940 0.496E-01 0.752E-01 RMM: 16 -0.292481043853E+03 -0.53778E-02 -0.98914E-03 5289 0.252E-01 0.108E+00 RMM: 17 -0.292475086766E+03 0.59571E-02 -0.39714E-03 4730 0.173E-01 0.464E-01 RMM: 18 -0.292473865179E+03 0.12216E-02 -0.12607E-03 4639 0.934E-02 0.200E-01 RMM: 19 -0.292474120085E+03 -0.25491E-03 -0.59635E-04 4608 0.640E-02 0.286E-01 RMM: 20 -0.292473536618E+03 0.58347E-03 -0.30061E-04 3887 0.480E-02 0.809E-02 RMM: 21 -0.292473505792E+03 0.30826E-04 -0.58403E-05 3342 0.217E-02 0.687E-02 RMM: 22 -0.292473458769E+03 0.47023E-04 -0.35868E-05 2959 0.189E-02 0.695E-02 RMM: 23 -0.292473413177E+03 0.45592E-04 -0.20931E-05 2719 0.153E-02 0.150E-02 RMM: 24 -0.292473410987E+03 0.21894E-05 -0.47804E-06 2449 0.628E-03 1 T= 6402. E= 0.68723910E+03 F= 0.63427753E+03 E0= 0.66179641E+03 EK= 0.52962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.287565902709E+03 0.49075E+01 -0.63572E+01 6984 0.949E+01 0.451E+00 RMM: 2 -0.294158524190E+03 -0.65926E+01 -0.56222E+01 7451 0.161E+01 0.132E+01 RMM: 3 -0.293123440166E+03 0.10351E+01 -0.19668E+00 5328 0.331E+00 0.325E+00 RMM: 4 -0.293137140895E+03 -0.13701E-01 -0.19739E-01 5326 0.997E-01 0.386E+00 RMM: 5 -0.293037377843E+03 0.99763E-01 -0.46355E-02 5324 0.551E-01 0.151E+00 RMM: 6 -0.293031787277E+03 0.55906E-02 -0.10705E-02 5322 0.237E-01 0.135E+00 RMM: 7 -0.293022993653E+03 0.87936E-02 -0.13778E-02 4608 0.349E-01 0.125E+00 RMM: 8 -0.293012047094E+03 0.10947E-01 -0.80089E-03 4756 0.268E-01 0.499E-01 RMM: 9 -0.293011357212E+03 0.68988E-03 -0.33090E-03 5334 0.150E-01 0.422E-01 RMM: 10 -0.293010307463E+03 0.10497E-02 -0.15424E-03 5253 0.111E-01 0.216E-01 RMM: 11 -0.293010026622E+03 0.28084E-03 -0.34253E-04 4675 0.479E-02 0.859E-02 RMM: 12 -0.293010077157E+03 -0.50535E-04 -0.11208E-04 3787 0.290E-02 0.120E-01 RMM: 13 -0.293009987424E+03 0.89733E-04 -0.51027E-05 3209 0.230E-02 0.445E-02 RMM: 14 -0.293009977493E+03 0.99311E-05 -0.16909E-05 2522 0.130E-02 2 T= 6496. E= 0.68749118E+03 F= 0.63374859E+03 E0= 0.66124432E+03 EK= 0.53743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.293619845597E+03 -0.60986E+00 -0.11863E+00 7692 0.278E+01 0.958E-01 RMM: 2 -0.293863401559E+03 -0.24356E+00 -0.19165E+00 5384 0.355E+00 0.330E+00 RMM: 3 -0.293786946672E+03 0.76455E-01 -0.16805E-01 5824 0.858E-01 0.913E-01 RMM: 4 -0.293781612878E+03 0.53338E-02 -0.14277E-02 5329 0.285E-01 0.726E-01 RMM: 5 -0.293777441849E+03 0.41710E-02 -0.34749E-03 5323 0.153E-01 0.322E-01 RMM: 6 -0.293777021389E+03 0.42046E-03 -0.72222E-04 4567 0.596E-02 0.271E-01 RMM: 7 -0.293776465474E+03 0.55592E-03 -0.77332E-04 4604 0.712E-02 0.246E-01 RMM: 8 -0.293775991321E+03 0.47415E-03 -0.49121E-04 4531 0.543E-02 0.136E-01 RMM: 9 -0.293776004593E+03 -0.13272E-04 -0.48212E-04 4589 0.555E-02 0.189E-01 RMM: 10 -0.293775739820E+03 0.26477E-03 -0.34538E-04 4074 0.478E-02 0.585E-02 RMM: 11 -0.293775725353E+03 0.14467E-04 -0.51097E-05 3143 0.197E-02 3 T= 6615. E= 0.68772429E+03 F= 0.63299871E+03 E0= 0.66047100E+03 EK= 0.54726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.294637571131E+03 -0.86183E+00 -0.23823E-01 8196 0.252E+01 0.269E-01 RMM: 2 -0.294658197853E+03 -0.20627E-01 -0.13716E-01 4663 0.122E+00 0.113E+00 RMM: 3 -0.294650202394E+03 0.79955E-02 -0.18006E-02 5514 0.328E-01 0.251E-01 RMM: 4 -0.294649755794E+03 0.44660E-03 -0.14236E-03 5212 0.859E-02 0.139E-01 RMM: 5 -0.294649660868E+03 0.94925E-04 -0.20986E-04 3896 0.359E-02 0.101E-01 RMM: 6 -0.294649592766E+03 0.68103E-04 -0.50275E-05 3221 0.216E-02 0.379E-02 RMM: 7 -0.294649590314E+03 0.24517E-05 -0.17030E-05 2528 0.121E-02 4 T= 6702. E= 0.68759296E+03 F= 0.63214887E+03 E0= 0.65960018E+03 EK= 0.55444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.295457924390E+03 -0.80833E+00 -0.19962E-01 8328 0.253E+01 0.259E-01 RMM: 2 -0.295475838586E+03 -0.17914E-01 -0.11540E-01 5287 0.828E-01 0.110E+00 RMM: 3 -0.295467378920E+03 0.84597E-02 -0.12460E-02 5728 0.226E-01 0.228E-01 RMM: 4 -0.295466981104E+03 0.39782E-03 -0.10700E-03 4646 0.742E-02 0.151E-01 RMM: 5 -0.295466850656E+03 0.13045E-03 -0.18071E-04 3888 0.345E-02 0.963E-02 RMM: 6 -0.295466802768E+03 0.47887E-04 -0.45259E-05 3133 0.207E-02 0.555E-02 RMM: 7 -0.295466812933E+03 -0.10164E-04 -0.44080E-05 2839 0.187E-02 5 T= 6706. E= 0.68684021E+03 F= 0.63136389E+03 E0= 0.65880072E+03 EK= 0.55476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296100722068E+03 -0.63392E+00 -0.20273E-01 8880 0.252E+01 0.285E-01 RMM: 2 -0.296119971266E+03 -0.19249E-01 -0.13363E-01 5310 0.860E-01 0.109E+00 RMM: 3 -0.296111272216E+03 0.86990E-02 -0.13753E-02 5754 0.240E-01 0.249E-01 RMM: 4 -0.296110913117E+03 0.35910E-03 -0.12657E-03 4710 0.805E-02 0.193E-01 RMM: 5 -0.296110690547E+03 0.22257E-03 -0.23213E-04 3893 0.396E-02 0.102E-01 RMM: 6 -0.296110629269E+03 0.61279E-04 -0.51391E-05 3227 0.219E-02 0.528E-02 RMM: 7 -0.296110631921E+03 -0.26522E-05 -0.28027E-05 2599 0.155E-02 6 T= 6613. E= 0.68546729E+03 F= 0.63076080E+03 E0= 0.65819248E+03 EK= 0.54706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296545263270E+03 -0.43463E+00 -0.19780E-01 8892 0.249E+01 0.216E-01 RMM: 2 -0.296561266604E+03 -0.16003E-01 -0.13444E-01 5285 0.825E-01 0.788E-01 RMM: 3 -0.296556255658E+03 0.50109E-02 -0.12584E-02 5951 0.214E-01 0.171E-01 RMM: 4 -0.296555996572E+03 0.25909E-03 -0.75227E-04 4693 0.630E-02 0.160E-01 RMM: 5 -0.296555826375E+03 0.17020E-03 -0.13924E-04 3862 0.310E-02 0.855E-02 RMM: 6 -0.296555794658E+03 0.31717E-04 -0.36613E-05 2977 0.183E-02 0.631E-02 RMM: 7 -0.296555780402E+03 0.14256E-04 -0.96270E-05 3882 0.238E-02 7 T= 6456. E= 0.68377393E+03 F= 0.63036524E+03 E0= 0.65780212E+03 EK= 0.53409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296845526662E+03 -0.28973E+00 -0.18439E-01 8580 0.245E+01 0.213E-01 RMM: 2 -0.296861341464E+03 -0.15815E-01 -0.12278E-01 5232 0.775E-01 0.859E-01 RMM: 3 -0.296855401172E+03 0.59403E-02 -0.11606E-02 5881 0.210E-01 0.178E-01 RMM: 4 -0.296855191814E+03 0.20936E-03 -0.86401E-04 4674 0.687E-02 0.158E-01 RMM: 5 -0.296855033210E+03 0.15860E-03 -0.15664E-04 3850 0.323E-02 0.805E-02 RMM: 6 -0.296854993888E+03 0.39322E-04 -0.30960E-05 2835 0.173E-02 0.436E-02 RMM: 7 -0.296855004908E+03 -0.11020E-04 -0.36371E-05 2697 0.175E-02 8 T= 6298. E= 0.68222290E+03 F= 0.63012482E+03 E0= 0.65757705E+03 EK= 0.52098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297088103668E+03 -0.23311E+00 -0.18473E-01 8532 0.241E+01 0.190E-01 RMM: 2 -0.297104010799E+03 -0.15907E-01 -0.13075E-01 5115 0.805E-01 0.771E-01 RMM: 3 -0.297099080766E+03 0.49300E-02 -0.13264E-02 5947 0.214E-01 0.152E-01 RMM: 4 -0.297098775262E+03 0.30550E-03 -0.70111E-04 4727 0.603E-02 0.119E-01 RMM: 5 -0.297098671003E+03 0.10426E-03 -0.11304E-04 3779 0.277E-02 0.657E-02 RMM: 6 -0.297098654496E+03 0.16506E-04 -0.30919E-05 2823 0.165E-02 9 T= 6200. E= 0.68123915E+03 F= 0.62994930E+03 E0= 0.65742645E+03 EK= 0.51290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297375693930E+03 -0.27702E+00 -0.18577E-01 8364 0.239E+01 0.253E-01 RMM: 2 -0.297402830791E+03 -0.27137E-01 -0.13088E-01 5147 0.820E-01 0.149E+00 RMM: 3 -0.297386387389E+03 0.16443E-01 -0.14517E-02 5524 0.260E-01 0.209E-01 RMM: 4 -0.297386025956E+03 0.36143E-03 -0.12425E-03 5113 0.673E-02 0.103E-01 RMM: 5 -0.297385951817E+03 0.74139E-04 -0.13502E-04 3915 0.314E-02 0.844E-02 RMM: 6 -0.297385922953E+03 0.28863E-04 -0.49554E-05 3169 0.197E-02 0.698E-02 RMM: 7 -0.297385964269E+03 -0.41315E-04 -0.10463E-04 3877 0.258E-02 0.109E-01 RMM: 8 -0.297385887461E+03 0.76808E-04 -0.63112E-05 3466 0.216E-02 0.305E-02 RMM: 9 -0.297385885910E+03 0.15515E-05 -0.13498E-05 2499 0.105E-02 10 T= 6204. E= 0.68106149E+03 F= 0.62973924E+03 E0= 0.65724961E+03 EK= 0.51322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297790075117E+03 -0.40419E+00 -0.18657E-01 8484 0.239E+01 0.318E-01 RMM: 2 -0.297820393392E+03 -0.30318E-01 -0.13357E-01 5108 0.848E-01 0.166E+00 RMM: 3 -0.297800554952E+03 0.19838E-01 -0.15951E-02 5465 0.284E-01 0.326E-01 RMM: 4 -0.297799810826E+03 0.74413E-03 -0.18754E-03 4934 0.937E-02 0.123E-01 RMM: 5 -0.297799828378E+03 -0.17552E-04 -0.27252E-04 3896 0.398E-02 0.144E-01 RMM: 6 -0.297799681219E+03 0.14716E-03 -0.85131E-05 3608 0.264E-02 0.387E-02 RMM: 7 -0.297799696556E+03 -0.15337E-04 -0.33438E-05 2872 0.166E-02 11 T= 6318. E= 0.68167718E+03 F= 0.62941103E+03 E0= 0.65696169E+03 EK= 0.52266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298382898274E+03 -0.58322E+00 -0.19011E-01 8028 0.241E+01 0.221E-01 RMM: 2 -0.298400959484E+03 -0.18061E-01 -0.13343E-01 5079 0.845E-01 0.954E-01 RMM: 3 -0.298394311757E+03 0.66477E-02 -0.14398E-02 5833 0.231E-01 0.206E-01 RMM: 4 -0.298393882345E+03 0.42941E-03 -0.91756E-04 4725 0.687E-02 0.121E-01 RMM: 5 -0.298393808034E+03 0.74311E-04 -0.15233E-04 3893 0.310E-02 0.892E-02 RMM: 6 -0.298393769849E+03 0.38185E-04 -0.48138E-05 3180 0.202E-02 0.595E-02 RMM: 7 -0.298393801277E+03 -0.31428E-04 -0.73375E-05 3671 0.230E-02 0.915E-02 RMM: 8 -0.298393747505E+03 0.53772E-04 -0.42100E-05 3090 0.196E-02 0.285E-02 RMM: 9 -0.298393746262E+03 0.12434E-05 -0.11134E-05 2477 0.965E-03 12 T= 6514. E= 0.68279902E+03 F= 0.62891031E+03 E0= 0.65650612E+03 EK= 0.53889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299173797176E+03 -0.78005E+00 -0.19801E-01 8088 0.245E+01 0.235E-01 RMM: 2 -0.299190805485E+03 -0.17008E-01 -0.13078E-01 5005 0.850E-01 0.922E-01 RMM: 3 -0.299184844534E+03 0.59610E-02 -0.14628E-02 5857 0.229E-01 0.194E-01 RMM: 4 -0.299184530636E+03 0.31390E-03 -0.10128E-03 4731 0.750E-02 0.176E-01 RMM: 5 -0.299184355083E+03 0.17555E-03 -0.20332E-04 3885 0.367E-02 0.983E-02 RMM: 6 -0.299184290740E+03 0.64344E-04 -0.57235E-05 3316 0.223E-02 0.392E-02 RMM: 7 -0.299184304830E+03 -0.14090E-04 -0.30538E-05 2659 0.165E-02 13 T= 6730. E= 0.68389197E+03 F= 0.62822031E+03 E0= 0.65586499E+03 EK= 0.55672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300138387565E+03 -0.95410E+00 -0.20401E-01 7752 0.249E+01 0.241E-01 RMM: 2 -0.300155360436E+03 -0.16973E-01 -0.14074E-01 5022 0.888E-01 0.851E-01 RMM: 3 -0.300150361620E+03 0.49988E-02 -0.15885E-02 5952 0.233E-01 0.193E-01 RMM: 4 -0.300150005690E+03 0.35593E-03 -0.98937E-04 4733 0.746E-02 0.180E-01 RMM: 5 -0.300149801704E+03 0.20399E-03 -0.19709E-04 3892 0.359E-02 0.852E-02 RMM: 6 -0.300149766746E+03 0.34958E-04 -0.52407E-05 3256 0.210E-02 0.539E-02 RMM: 7 -0.300149789001E+03 -0.22254E-04 -0.61590E-05 3486 0.218E-02 0.836E-02 RMM: 8 -0.300149743367E+03 0.45634E-04 -0.33385E-05 2900 0.178E-02 0.220E-02 RMM: 9 -0.300149748319E+03 -0.49524E-05 -0.12841E-05 2481 0.106E-02 14 T= 6883. E= 0.68430418E+03 F= 0.62736275E+03 E0= 0.65505652E+03 EK= 0.56941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301227477425E+03 -0.10777E+01 -0.20200E-01 7668 0.251E+01 0.261E-01 RMM: 2 -0.301247475844E+03 -0.19998E-01 -0.15451E-01 5022 0.919E-01 0.101E+00 RMM: 3 -0.301240496163E+03 0.69797E-02 -0.17324E-02 5953 0.237E-01 0.191E-01 RMM: 4 -0.301240262271E+03 0.23389E-03 -0.12376E-03 4838 0.855E-02 0.227E-01 RMM: 5 -0.301239937032E+03 0.32524E-03 -0.26700E-04 3890 0.407E-02 0.102E-01 RMM: 6 -0.301239869551E+03 0.67482E-04 -0.71126E-05 3444 0.244E-02 0.380E-02 RMM: 7 -0.301239883737E+03 -0.14186E-04 -0.29893E-05 2617 0.158E-02 15 T= 6908. E= 0.68353736E+03 F= 0.62638857E+03 E0= 0.65412983E+03 EK= 0.57149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302381676290E+03 -0.11418E+01 -0.20737E-01 7716 0.251E+01 0.254E-01 RMM: 2 -0.302400544079E+03 -0.18868E-01 -0.15701E-01 5030 0.928E-01 0.883E-01 RMM: 3 -0.302395151695E+03 0.53924E-02 -0.17655E-02 5961 0.238E-01 0.198E-01 RMM: 4 -0.302394829876E+03 0.32182E-03 -0.11624E-03 4809 0.823E-02 0.211E-01 RMM: 5 -0.302394546461E+03 0.28342E-03 -0.23664E-04 3900 0.382E-02 0.942E-02 RMM: 6 -0.302394501135E+03 0.45326E-04 -0.61118E-05 3359 0.225E-02 0.553E-02 RMM: 7 -0.302394528229E+03 -0.27094E-04 -0.67664E-05 3551 0.226E-02 0.898E-02 RMM: 8 -0.302394475068E+03 0.53160E-04 -0.35759E-05 2989 0.185E-02 0.230E-02 RMM: 9 -0.302394480220E+03 -0.51516E-05 -0.13019E-05 2490 0.104E-02 16 T= 6789. E= 0.68152523E+03 F= 0.62535930E+03 E0= 0.65314337E+03 EK= 0.56166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303554038485E+03 -0.11596E+01 -0.19927E-01 7872 0.248E+01 0.267E-01 RMM: 2 -0.303570673956E+03 -0.16635E-01 -0.13279E-01 5038 0.867E-01 0.927E-01 RMM: 3 -0.303564978482E+03 0.56955E-02 -0.15022E-02 5895 0.231E-01 0.182E-01 RMM: 4 -0.303564936888E+03 0.41594E-04 -0.11474E-03 4774 0.819E-02 0.261E-01 RMM: 5 -0.303564505593E+03 0.43129E-03 -0.28921E-04 3908 0.434E-02 0.106E-01 RMM: 6 -0.303564434733E+03 0.70859E-04 -0.86138E-05 3561 0.268E-02 0.420E-02 RMM: 7 -0.303564458778E+03 -0.24044E-04 -0.38091E-05 2835 0.180E-02 0.778E-02 RMM: 8 -0.303564418547E+03 0.40230E-04 -0.25506E-05 2563 0.160E-02 0.181E-02 RMM: 9 -0.303564422384E+03 -0.38371E-05 -0.10625E-05 2464 0.923E-03 17 T= 6572. E= 0.67869126E+03 F= 0.62432553E+03 E0= 0.65214580E+03 EK= 0.54366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304710509135E+03 -0.11461E+01 -0.19079E-01 8124 0.244E+01 0.241E-01 RMM: 2 -0.304723689196E+03 -0.13180E-01 -0.11536E-01 5137 0.798E-01 0.734E-01 RMM: 3 -0.304720017411E+03 0.36718E-02 -0.12183E-02 5988 0.203E-01 0.163E-01 RMM: 4 -0.304719983366E+03 0.34045E-04 -0.89694E-04 4669 0.744E-02 0.246E-01 RMM: 5 -0.304719592466E+03 0.39090E-03 -0.25634E-04 3900 0.417E-02 0.943E-02 RMM: 6 -0.304719547558E+03 0.44908E-04 -0.68072E-05 3433 0.238E-02 0.576E-02 RMM: 7 -0.304719573331E+03 -0.25773E-04 -0.65071E-05 3534 0.225E-02 0.887E-02 RMM: 8 -0.304719521769E+03 0.51561E-04 -0.30739E-05 2919 0.176E-02 0.199E-02 RMM: 9 -0.304719525802E+03 -0.40333E-05 -0.11336E-05 2475 0.950E-03 18 T= 6335. E= 0.67572914E+03 F= 0.62331863E+03 E0= 0.65116714E+03 EK= 0.52411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305835089375E+03 -0.11156E+01 -0.18464E-01 8112 0.240E+01 0.255E-01 RMM: 2 -0.305849791838E+03 -0.14702E-01 -0.12539E-01 5024 0.831E-01 0.796E-01 RMM: 3 -0.305845352838E+03 0.44390E-02 -0.13995E-02 5954 0.222E-01 0.161E-01 RMM: 4 -0.305845361443E+03 -0.86042E-05 -0.99693E-04 4700 0.769E-02 0.261E-01 RMM: 5 -0.305844917534E+03 0.44391E-03 -0.27200E-04 3909 0.425E-02 0.982E-02 RMM: 6 -0.305844867145E+03 0.50389E-04 -0.90753E-05 3584 0.273E-02 0.557E-02 RMM: 7 -0.305844892471E+03 -0.25326E-04 -0.51409E-05 3211 0.211E-02 0.850E-02 RMM: 8 -0.305844845694E+03 0.46777E-04 -0.23862E-05 2621 0.160E-02 0.220E-02 RMM: 9 -0.305844847802E+03 -0.21080E-05 -0.10128E-05 2464 0.897E-03 19 T= 6158. E= 0.67329583E+03 F= 0.62235395E+03 E0= 0.65022230E+03 EK= 0.50942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306919691498E+03 -0.10748E+01 -0.18622E-01 8160 0.238E+01 0.243E-01 RMM: 2 -0.306933154943E+03 -0.13463E-01 -0.12623E-01 5047 0.823E-01 0.640E-01 RMM: 3 -0.306930035425E+03 0.31195E-02 -0.13392E-02 6087 0.213E-01 0.152E-01 RMM: 4 -0.306930093431E+03 -0.58006E-04 -0.91159E-04 4739 0.748E-02 0.272E-01 RMM: 5 -0.306929605800E+03 0.48763E-03 -0.29111E-04 3941 0.450E-02 0.897E-02 RMM: 6 -0.306929570413E+03 0.35387E-04 -0.74417E-05 3486 0.244E-02 0.619E-02 RMM: 7 -0.306929598765E+03 -0.28352E-04 -0.57486E-05 3362 0.217E-02 0.916E-02 RMM: 8 -0.306929543873E+03 0.54892E-04 -0.29193E-05 2851 0.175E-02 0.204E-02 RMM: 9 -0.306929547320E+03 -0.34478E-05 -0.10247E-05 2472 0.889E-03 20 T= 6089. E= 0.67181720E+03 F= 0.62144177E+03 E0= 0.64932178E+03 EK= 0.50375E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307944594164E+03 -0.10151E+01 -0.19121E-01 7980 0.237E+01 0.262E-01 RMM: 2 -0.307961432386E+03 -0.16838E-01 -0.15066E-01 4866 0.916E-01 0.758E-01 RMM: 3 -0.307957108262E+03 0.43241E-02 -0.16985E-02 6033 0.243E-01 0.160E-01 RMM: 4 -0.307957181682E+03 -0.73420E-04 -0.11280E-03 4898 0.832E-02 0.293E-01 RMM: 5 -0.307956608824E+03 0.57286E-03 -0.31643E-04 3982 0.463E-02 0.984E-02 RMM: 6 -0.307956559729E+03 0.49095E-04 -0.92511E-05 3624 0.266E-02 0.600E-02 RMM: 7 -0.307956593370E+03 -0.33641E-04 -0.55935E-05 3343 0.215E-02 0.940E-02 RMM: 8 -0.307956534664E+03 0.58706E-04 -0.28571E-05 2806 0.172E-02 0.214E-02 RMM: 9 -0.307956538224E+03 -0.35608E-05 -0.10656E-05 2477 0.917E-03 21 T= 6145. E= 0.67143267E+03 F= 0.62059772E+03 E0= 0.64848197E+03 EK= 0.50835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308888629432E+03 -0.93209E+00 -0.18584E-01 8280 0.239E+01 0.262E-01 RMM: 2 -0.308901549845E+03 -0.12920E-01 -0.11832E-01 5105 0.799E-01 0.683E-01 RMM: 3 -0.308897946060E+03 0.36038E-02 -0.11958E-02 5976 0.212E-01 0.175E-01 RMM: 4 -0.308898120769E+03 -0.17471E-03 -0.10471E-03 4791 0.801E-02 0.296E-01 RMM: 5 -0.308897521213E+03 0.59956E-03 -0.33420E-04 3979 0.470E-02 0.893E-02 RMM: 6 -0.308897488697E+03 0.32516E-04 -0.78923E-05 3523 0.248E-02 0.634E-02 RMM: 7 -0.308897511893E+03 -0.23197E-04 -0.57798E-05 3374 0.213E-02 0.904E-02 RMM: 8 -0.308897458249E+03 0.53644E-04 -0.29642E-05 2847 0.173E-02 0.201E-02 RMM: 9 -0.308897462715E+03 -0.44660E-05 -0.10324E-05 2474 0.892E-03 22 T= 6304. E= 0.67200126E+03 F= 0.61984831E+03 E0= 0.64773079E+03 EK= 0.52153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309701099737E+03 -0.80364E+00 -0.19960E-01 8148 0.242E+01 0.275E-01 RMM: 2 -0.309717646095E+03 -0.16546E-01 -0.14855E-01 4932 0.900E-01 0.755E-01 RMM: 3 -0.309713285026E+03 0.43611E-02 -0.16151E-02 5966 0.241E-01 0.187E-01 RMM: 4 -0.309713469333E+03 -0.18431E-03 -0.12430E-03 4992 0.875E-02 0.324E-01 RMM: 5 -0.309712754762E+03 0.71457E-03 -0.36038E-04 4046 0.488E-02 0.102E-01 RMM: 6 -0.309712700860E+03 0.53902E-04 -0.92471E-05 3636 0.262E-02 0.607E-02 RMM: 7 -0.309712730670E+03 -0.29810E-04 -0.65415E-05 3517 0.221E-02 0.940E-02 RMM: 8 -0.309712671269E+03 0.59401E-04 -0.33508E-05 2951 0.181E-02 0.210E-02 RMM: 9 -0.309712676967E+03 -0.56982E-05 -0.11876E-05 2488 0.969E-03 23 T= 6515. E= 0.67312502E+03 F= 0.61923162E+03 E0= 0.64710731E+03 EK= 0.53893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310350525342E+03 -0.63785E+00 -0.19620E-01 8184 0.246E+01 0.271E-01 RMM: 2 -0.310364867490E+03 -0.14342E-01 -0.13784E-01 5031 0.865E-01 0.638E-01 RMM: 3 -0.310361627959E+03 0.32395E-02 -0.14294E-02 5991 0.228E-01 0.192E-01 RMM: 4 -0.310361762205E+03 -0.13425E-03 -0.11133E-03 4923 0.822E-02 0.313E-01 RMM: 5 -0.310361096087E+03 0.66612E-03 -0.37344E-04 4137 0.505E-02 0.849E-02 RMM: 6 -0.310361071341E+03 0.24746E-04 -0.82712E-05 3560 0.249E-02 0.692E-02 RMM: 7 -0.310361086345E+03 -0.15004E-04 -0.59250E-05 3436 0.213E-02 24 T= 6701. E= 0.67422595E+03 F= 0.61878798E+03 E0= 0.64665321E+03 EK= 0.55438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310805109328E+03 -0.44404E+00 -0.20113E-01 8400 0.248E+01 0.285E-01 RMM: 2 -0.310820634648E+03 -0.15525E-01 -0.13810E-01 5071 0.864E-01 0.754E-01 RMM: 3 -0.310816141305E+03 0.44933E-02 -0.14035E-02 5875 0.232E-01 0.224E-01 RMM: 4 -0.310816309342E+03 -0.16804E-03 -0.13210E-03 4978 0.904E-02 0.326E-01 RMM: 5 -0.310815584058E+03 0.72528E-03 -0.40161E-04 4150 0.517E-02 0.980E-02 RMM: 6 -0.310815555682E+03 0.28376E-04 -0.96929E-05 3708 0.269E-02 0.794E-02 RMM: 7 -0.310815575600E+03 -0.19917E-04 -0.76438E-05 3682 0.230E-02 25 T= 6792. E= 0.67473641E+03 F= 0.61854485E+03 E0= 0.64639695E+03 EK= 0.56192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311064805261E+03 -0.24925E+00 -0.20111E-01 8184 0.248E+01 0.256E-01 RMM: 2 -0.311078255057E+03 -0.13450E-01 -0.13529E-01 4900 0.860E-01 0.528E-01 RMM: 3 -0.311075862389E+03 0.23927E-02 -0.14633E-02 5991 0.237E-01 0.209E-01 RMM: 4 -0.311075928848E+03 -0.66459E-04 -0.10665E-03 5011 0.817E-02 0.302E-01 RMM: 5 -0.311075331480E+03 0.59737E-03 -0.37395E-04 4246 0.518E-02 0.990E-02 RMM: 6 -0.311075302825E+03 0.28655E-04 -0.11079E-04 3831 0.285E-02 0.808E-02 RMM: 7 -0.311075324829E+03 -0.22003E-04 -0.62501E-05 3447 0.217E-02 0.102E-01 RMM: 8 -0.311075257550E+03 0.67279E-04 -0.33273E-05 2934 0.182E-02 0.246E-02 RMM: 9 -0.311075261697E+03 -0.41474E-05 -0.12613E-05 2485 0.994E-03 26 T= 6752. E= 0.67436182E+03 F= 0.61850438E+03 E0= 0.64634047E+03 EK= 0.55857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311162316522E+03 -0.87059E-01 -0.19717E-01 8244 0.246E+01 0.255E-01 RMM: 2 -0.311176325697E+03 -0.14009E-01 -0.12308E-01 4943 0.815E-01 0.717E-01 RMM: 3 -0.311172073056E+03 0.42526E-02 -0.13162E-02 5804 0.234E-01 0.188E-01 RMM: 4 -0.311172190053E+03 -0.11700E-03 -0.11250E-03 5080 0.842E-02 0.282E-01 RMM: 5 -0.311171686753E+03 0.50330E-03 -0.35509E-04 4227 0.507E-02 0.122E-01 RMM: 6 -0.311171615118E+03 0.71634E-04 -0.13296E-04 3878 0.316E-02 0.752E-02 RMM: 7 -0.311171659073E+03 -0.43955E-04 -0.75755E-05 3585 0.237E-02 0.113E-01 RMM: 8 -0.311171572823E+03 0.86250E-04 -0.42609E-05 3148 0.205E-02 0.241E-02 RMM: 9 -0.311171573584E+03 -0.76097E-06 -0.95752E-06 2476 0.845E-03 27 T= 6600. E= 0.67323576E+03 F= 0.61863676E+03 E0= 0.64645429E+03 EK= 0.54599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311152352706E+03 0.19220E-01 -0.19640E-01 8016 0.243E+01 0.257E-01 RMM: 2 -0.311165195341E+03 -0.12843E-01 -0.11796E-01 4988 0.807E-01 0.651E-01 RMM: 3 -0.311161636460E+03 0.35589E-02 -0.12546E-02 5860 0.227E-01 0.185E-01 RMM: 4 -0.311161742554E+03 -0.10609E-03 -0.11207E-03 5071 0.858E-02 0.280E-01 RMM: 5 -0.311161238403E+03 0.50415E-03 -0.39962E-04 4349 0.539E-02 0.111E-01 RMM: 6 -0.311161234069E+03 0.43332E-05 -0.15451E-04 3888 0.332E-02 28 T= 6401. E= 0.67183597E+03 F= 0.61888652E+03 E0= 0.64668319E+03 EK= 0.52949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311099825600E+03 0.61413E-01 -0.18435E-01 7668 0.240E+01 0.415E-01 RMM: 2 -0.311134959421E+03 -0.35134E-01 -0.11894E-01 4868 0.845E-01 0.194E+00 RMM: 3 -0.311108297843E+03 0.26662E-01 -0.18893E-02 5360 0.332E-01 0.327E-01 RMM: 4 -0.311107852383E+03 0.44546E-03 -0.21957E-03 5249 0.102E-01 0.241E-01 RMM: 5 -0.311107780312E+03 0.72071E-04 -0.63568E-04 4602 0.650E-02 0.245E-01 RMM: 6 -0.311107422420E+03 0.35789E-03 -0.33801E-04 3941 0.493E-02 0.998E-02 RMM: 7 -0.311107513853E+03 -0.91433E-04 -0.18118E-04 3889 0.369E-02 0.150E-01 RMM: 8 -0.311107378478E+03 0.13538E-03 -0.90139E-05 3682 0.287E-02 0.587E-02 RMM: 9 -0.311107363159E+03 0.15319E-04 -0.19372E-05 2594 0.131E-02 29 T= 6231. E= 0.67073517E+03 F= 0.61919078E+03 E0= 0.64696589E+03 EK= 0.51544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311057840656E+03 0.49538E-01 -0.17058E-01 7836 0.238E+01 0.376E-01 RMM: 2 -0.311090736757E+03 -0.32896E-01 -0.10234E-01 4856 0.784E-01 0.191E+00 RMM: 3 -0.311064954883E+03 0.25782E-01 -0.15939E-02 5348 0.310E-01 0.322E-01 RMM: 4 -0.311064491026E+03 0.46386E-03 -0.21529E-03 5260 0.104E-01 0.230E-01 RMM: 5 -0.311064521400E+03 -0.30374E-04 -0.52877E-04 4557 0.602E-02 0.249E-01 RMM: 6 -0.311064085988E+03 0.43541E-03 -0.25185E-04 3888 0.433E-02 0.534E-02 RMM: 7 -0.311064144150E+03 -0.58162E-04 -0.10621E-04 3803 0.276E-02 0.107E-01 RMM: 8 -0.311064069882E+03 0.74268E-04 -0.47216E-05 3241 0.216E-02 0.309E-02 RMM: 9 -0.311064065758E+03 0.41236E-05 -0.84660E-06 2485 0.855E-03 30 T= 6150. E= 0.67037326E+03 F= 0.61949444E+03 E0= 0.64724762E+03 EK= 0.50879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311057452798E+03 0.66171E-02 -0.16495E-01 7656 0.238E+01 0.327E-01 RMM: 2 -0.311075065060E+03 -0.17612E-01 -0.93654E-02 4911 0.748E-01 0.126E+00 RMM: 3 -0.311064271053E+03 0.10794E-01 -0.11912E-02 5400 0.249E-01 0.280E-01 RMM: 4 -0.311064122918E+03 0.14813E-03 -0.16648E-03 5050 0.953E-02 0.258E-01 RMM: 5 -0.311063837108E+03 0.28581E-03 -0.51266E-04 4578 0.605E-02 0.187E-01 RMM: 6 -0.311063616232E+03 0.22088E-03 -0.18589E-04 3886 0.362E-02 0.738E-02 RMM: 7 -0.311063667675E+03 -0.51443E-04 -0.11356E-04 3836 0.293E-02 0.115E-01 RMM: 8 -0.311063585362E+03 0.82313E-04 -0.52115E-05 3317 0.223E-02 0.397E-02 RMM: 9 -0.311063578234E+03 0.71280E-05 -0.10123E-05 2498 0.923E-03 31 T= 6187. E= 0.67094780E+03 F= 0.61976317E+03 E0= 0.64749629E+03 EK= 0.51185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311107098620E+03 -0.43513E-01 -0.16840E-01 7968 0.240E+01 0.330E-01 RMM: 2 -0.311122085992E+03 -0.14987E-01 -0.96516E-02 4819 0.768E-01 0.108E+00 RMM: 3 -0.311113937071E+03 0.81489E-02 -0.12036E-02 5444 0.243E-01 0.214E-01 RMM: 4 -0.311114458444E+03 -0.52137E-03 -0.16163E-03 5030 0.954E-02 0.366E-01 RMM: 5 -0.311113670730E+03 0.78771E-03 -0.50148E-04 4545 0.579E-02 0.161E-01 RMM: 6 -0.311113515387E+03 0.15534E-03 -0.16962E-04 3877 0.344E-02 0.663E-02 RMM: 7 -0.311113571944E+03 -0.56557E-04 -0.77843E-05 3567 0.240E-02 0.111E-01 RMM: 8 -0.311113491328E+03 0.80616E-04 -0.41535E-05 3161 0.205E-02 0.306E-02 RMM: 9 -0.311113490888E+03 0.44033E-06 -0.11064E-05 2494 0.961E-03 32 T= 6333. E= 0.67237782E+03 F= 0.61998687E+03 E0= 0.64770329E+03 EK= 0.52391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311187457729E+03 -0.73966E-01 -0.17545E-01 7716 0.244E+01 0.304E-01 RMM: 2 -0.311200310658E+03 -0.12853E-01 -0.11264E-01 4786 0.809E-01 0.766E-01 RMM: 3 -0.311196233080E+03 0.40776E-02 -0.13195E-02 5669 0.230E-01 0.257E-01 RMM: 4 -0.311196508421E+03 -0.27534E-03 -0.16290E-03 5134 0.997E-02 0.357E-01 RMM: 5 -0.311195674566E+03 0.83385E-03 -0.56533E-04 4551 0.628E-02 0.119E-01 RMM: 6 -0.311195598879E+03 0.75688E-04 -0.11391E-04 3812 0.276E-02 0.671E-02 RMM: 7 -0.311195628702E+03 -0.29823E-04 -0.63645E-05 3443 0.224E-02 0.960E-02 RMM: 8 -0.311195570059E+03 0.58643E-04 -0.33739E-05 3017 0.186E-02 0.281E-02 RMM: 9 -0.311195570130E+03 -0.71595E-07 -0.99724E-06 2476 0.891E-03 33 T= 6542. E= 0.67430579E+03 F= 0.62018181E+03 E0= 0.64788614E+03 EK= 0.54124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311266060090E+03 -0.70490E-01 -0.18035E-01 7800 0.247E+01 0.345E-01 RMM: 2 -0.311282597482E+03 -0.16537E-01 -0.11730E-01 4878 0.829E-01 0.107E+00 RMM: 3 -0.311274602965E+03 0.79945E-02 -0.13822E-02 5544 0.245E-01 0.225E-01 RMM: 4 -0.311275235636E+03 -0.63267E-03 -0.19000E-03 5132 0.106E-01 0.403E-01 RMM: 5 -0.311274240304E+03 0.99533E-03 -0.56689E-04 4559 0.617E-02 0.162E-01 RMM: 6 -0.311274072517E+03 0.16779E-03 -0.15048E-04 3870 0.318E-02 0.569E-02 RMM: 7 -0.311274118568E+03 -0.46051E-04 -0.73464E-05 3529 0.233E-02 0.101E-01 RMM: 8 -0.311274050377E+03 0.68191E-04 -0.40360E-05 3110 0.200E-02 0.292E-02 RMM: 9 -0.311274051264E+03 -0.88708E-06 -0.11700E-05 2497 0.974E-03 34 T= 6742. E= 0.67615438E+03 F= 0.62038302E+03 E0= 0.64808039E+03 EK= 0.55771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311301443541E+03 -0.27393E-01 -0.18642E-01 7992 0.250E+01 0.333E-01 RMM: 2 -0.311316585102E+03 -0.15142E-01 -0.13313E-01 4852 0.865E-01 0.844E-01 RMM: 3 -0.311311681026E+03 0.49041E-02 -0.15243E-02 5759 0.241E-01 0.255E-01 RMM: 4 -0.311312146050E+03 -0.46502E-03 -0.18342E-03 5143 0.105E-01 0.401E-01 RMM: 5 -0.311311095750E+03 0.10503E-02 -0.62531E-04 4584 0.650E-02 0.138E-01 RMM: 6 -0.311310978534E+03 0.11722E-03 -0.14648E-04 3877 0.312E-02 0.617E-02 RMM: 7 -0.311311020956E+03 -0.42422E-04 -0.66720E-05 3500 0.226E-02 0.102E-01 RMM: 8 -0.311310952379E+03 0.68577E-04 -0.35476E-05 3005 0.187E-02 0.283E-02 RMM: 9 -0.311310956268E+03 -0.38892E-05 -0.13432E-05 2503 0.103E-02 35 T= 6851. E= 0.67730672E+03 F= 0.62062930E+03 E0= 0.64832465E+03 EK= 0.56677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311271959999E+03 0.38992E-01 -0.18702E-01 8220 0.251E+01 0.339E-01 RMM: 2 -0.311287621070E+03 -0.15661E-01 -0.12914E-01 4966 0.835E-01 0.910E-01 RMM: 3 -0.311281538123E+03 0.60829E-02 -0.14317E-02 5726 0.232E-01 0.231E-01 RMM: 4 -0.311282137290E+03 -0.59917E-03 -0.18396E-03 5064 0.106E-01 0.416E-01 RMM: 5 -0.311281045192E+03 0.10921E-02 -0.62063E-04 4576 0.655E-02 0.148E-01 RMM: 6 -0.311280910158E+03 0.13503E-03 -0.14528E-04 3871 0.310E-02 0.639E-02 RMM: 7 -0.311280947569E+03 -0.37411E-04 -0.74859E-05 3578 0.235E-02 0.998E-02 RMM: 8 -0.311280881465E+03 0.66104E-04 -0.40063E-05 3105 0.197E-02 0.261E-02 RMM: 9 -0.311280886256E+03 -0.47910E-05 -0.12107E-05 2495 0.983E-03 36 T= 6823. E= 0.67739231E+03 F= 0.62094815E+03 E0= 0.64864540E+03 EK= 0.56444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311173085053E+03 0.10780E+00 -0.18086E-01 8136 0.249E+01 0.326E-01 RMM: 2 -0.311184806150E+03 -0.11721E-01 -0.10846E-01 5034 0.761E-01 0.756E-01 RMM: 3 -0.311180838788E+03 0.39674E-02 -0.11505E-02 5709 0.214E-01 0.252E-01 RMM: 4 -0.311181370302E+03 -0.53151E-03 -0.15696E-03 4959 0.983E-02 0.402E-01 RMM: 5 -0.311180294571E+03 0.10757E-02 -0.60058E-04 4566 0.640E-02 0.136E-01 RMM: 6 -0.311180201814E+03 0.92757E-04 -0.16351E-04 3878 0.331E-02 0.794E-02 RMM: 7 -0.311180235836E+03 -0.34022E-04 -0.76377E-05 3618 0.246E-02 0.108E-01 RMM: 8 -0.311180157761E+03 0.78074E-04 -0.36597E-05 3052 0.187E-02 0.271E-02 RMM: 9 -0.311180162720E+03 -0.49583E-05 -0.12632E-05 2500 0.985E-03 37 T= 6667. E= 0.67650001E+03 F= 0.62134587E+03 E0= 0.64904706E+03 EK= 0.55154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311024303970E+03 0.15585E+00 -0.17844E-01 8340 0.245E+01 0.320E-01 RMM: 2 -0.311035304466E+03 -0.11000E-01 -0.94872E-02 5215 0.698E-01 0.797E-01 RMM: 3 -0.311030680420E+03 0.46240E-02 -0.93178E-03 5774 0.189E-01 0.226E-01 RMM: 4 -0.311031181020E+03 -0.50060E-03 -0.15297E-03 4818 0.989E-02 0.388E-01 RMM: 5 -0.311030206847E+03 0.97417E-03 -0.63344E-04 4591 0.679E-02 0.136E-01 RMM: 6 -0.311030127457E+03 0.79390E-04 -0.16398E-04 3873 0.329E-02 0.919E-02 RMM: 7 -0.311030135454E+03 -0.79973E-05 -0.81494E-05 3654 0.263E-02 38 T= 6446. E= 0.67513076E+03 F= 0.62180323E+03 E0= 0.64950941E+03 EK= 0.53328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310864881711E+03 0.16525E+00 -0.17689E-01 8316 0.242E+01 0.342E-01 RMM: 2 -0.310876183715E+03 -0.11302E-01 -0.95104E-02 5198 0.699E-01 0.820E-01 RMM: 3 -0.310871256864E+03 0.49269E-02 -0.95909E-03 5627 0.195E-01 0.253E-01 RMM: 4 -0.310871810374E+03 -0.55351E-03 -0.17886E-03 4893 0.108E-01 0.416E-01 RMM: 5 -0.310870666260E+03 0.11441E-02 -0.81867E-04 4601 0.774E-02 0.137E-01 RMM: 6 -0.310870662059E+03 0.42002E-05 -0.23003E-04 3885 0.390E-02 0.139E-01 RMM: 7 -0.310870600113E+03 0.61947E-04 -0.12417E-04 3872 0.339E-02 0.105E-01 RMM: 8 -0.310870531085E+03 0.69028E-04 -0.43833E-05 3208 0.199E-02 0.350E-02 RMM: 9 -0.310870544099E+03 -0.13014E-04 -0.17057E-05 2542 0.115E-02 39 T= 6244. E= 0.67393660E+03 F= 0.62228124E+03 E0= 0.64999376E+03 EK= 0.51655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310740574268E+03 0.12996E+00 -0.18093E-01 8352 0.239E+01 0.290E-01 RMM: 2 -0.310753071861E+03 -0.12498E-01 -0.10709E-01 5045 0.751E-01 0.783E-01 RMM: 3 -0.310748518503E+03 0.45534E-02 -0.11736E-02 5751 0.210E-01 0.207E-01 RMM: 4 -0.310748740747E+03 -0.22224E-03 -0.12867E-03 4811 0.886E-02 0.328E-01 RMM: 5 -0.310748101736E+03 0.63901E-03 -0.58005E-04 4608 0.668E-02 0.151E-01 RMM: 6 -0.310747991950E+03 0.10979E-03 -0.22355E-04 3887 0.392E-02 0.906E-02 RMM: 7 -0.310748012075E+03 -0.20125E-04 -0.84439E-05 3688 0.282E-02 0.106E-01 RMM: 8 -0.310747936284E+03 0.75791E-04 -0.28107E-05 2911 0.167E-02 0.254E-02 RMM: 9 -0.310747937362E+03 -0.10774E-05 -0.91183E-06 2475 0.850E-03 40 T= 6131. E= 0.67345153E+03 F= 0.62273231E+03 E0= 0.65045242E+03 EK= 0.50719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310696761662E+03 0.51175E-01 -0.18136E-01 8124 0.238E+01 0.336E-01 RMM: 2 -0.310708311949E+03 -0.11550E-01 -0.10174E-01 5156 0.721E-01 0.772E-01 RMM: 3 -0.310703917981E+03 0.43940E-02 -0.10668E-02 5728 0.195E-01 0.237E-01 RMM: 4 -0.310704411082E+03 -0.49310E-03 -0.18127E-03 4967 0.111E-01 0.404E-01 RMM: 5 -0.310703336779E+03 0.10743E-02 -0.81167E-04 4601 0.771E-02 0.142E-01 RMM: 6 -0.310703308818E+03 0.27961E-04 -0.22746E-04 3888 0.391E-02 0.132E-01 RMM: 7 -0.310703256799E+03 0.52019E-04 -0.13206E-04 3877 0.354E-02 0.104E-01 RMM: 8 -0.310703188223E+03 0.68576E-04 -0.40731E-05 3158 0.196E-02 0.353E-02 RMM: 9 -0.310703193770E+03 -0.55464E-05 -0.15089E-05 2519 0.110E-02 41 T= 6145. E= 0.67395146E+03 F= 0.62311298E+03 E0= 0.65084221E+03 EK= 0.50838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310755316555E+03 -0.52128E-01 -0.18120E-01 8196 0.240E+01 0.320E-01 RMM: 2 -0.310765742416E+03 -0.10426E-01 -0.89778E-02 5148 0.694E-01 0.773E-01 RMM: 3 -0.310761483348E+03 0.42591E-02 -0.97170E-03 5607 0.200E-01 0.228E-01 RMM: 4 -0.310762006859E+03 -0.52351E-03 -0.15404E-03 4853 0.984E-02 0.387E-01 RMM: 5 -0.310761048690E+03 0.95817E-03 -0.67626E-04 4604 0.709E-02 0.139E-01 RMM: 6 -0.310760975341E+03 0.73350E-04 -0.21443E-04 3886 0.380E-02 0.993E-02 RMM: 7 -0.310760985297E+03 -0.99560E-05 -0.91324E-05 3757 0.294E-02 42 T= 6288. E= 0.67541229E+03 F= 0.62339528E+03 E0= 0.65113586E+03 EK= 0.52017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310916146115E+03 -0.15517E+00 -0.17904E-01 7860 0.243E+01 0.379E-01 RMM: 2 -0.310924714428E+03 -0.85683E-02 -0.82311E-02 5081 0.673E-01 0.735E-01 RMM: 3 -0.310921242341E+03 0.34721E-02 -0.90745E-03 5519 0.197E-01 0.309E-01 RMM: 4 -0.310922162195E+03 -0.91985E-03 -0.20719E-03 5104 0.115E-01 0.500E-01 RMM: 5 -0.310920487521E+03 0.16747E-02 -0.10073E-03 4608 0.865E-02 0.133E-01 RMM: 6 -0.310920463918E+03 0.23603E-04 -0.22807E-04 3890 0.390E-02 0.126E-01 RMM: 7 -0.310920443671E+03 0.20247E-04 -0.12239E-04 3879 0.334E-02 0.115E-01 RMM: 8 -0.310920358922E+03 0.84749E-04 -0.44573E-05 3209 0.202E-02 0.325E-02 RMM: 9 -0.310920373303E+03 -0.14381E-04 -0.19899E-05 2558 0.129E-02 43 T= 6518. E= 0.67749727E+03 F= 0.62357741E+03 E0= 0.65133243E+03 EK= 0.53920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311142643254E+03 -0.22228E+00 -0.19507E-01 7836 0.248E+01 0.304E-01 RMM: 2 -0.311153609963E+03 -0.10967E-01 -0.10619E-01 4875 0.785E-01 0.663E-01 RMM: 3 -0.311150558426E+03 0.30515E-02 -0.12491E-02 5699 0.217E-01 0.229E-01 RMM: 4 -0.311151030555E+03 -0.47213E-03 -0.15108E-03 4999 0.959E-02 0.381E-01 RMM: 5 -0.311150098350E+03 0.93220E-03 -0.55160E-04 4558 0.623E-02 0.131E-01 RMM: 6 -0.311149990471E+03 0.10788E-03 -0.12749E-04 3844 0.296E-02 0.505E-02 RMM: 7 -0.311150022955E+03 -0.32484E-04 -0.42129E-05 3135 0.193E-02 0.879E-02 RMM: 8 -0.311149970574E+03 0.52380E-04 -0.22253E-05 2637 0.156E-02 0.185E-02 RMM: 9 -0.311149971784E+03 -0.12092E-05 -0.67014E-06 2456 0.714E-03 44 T= 6757. E= 0.67958733E+03 F= 0.62368965E+03 E0= 0.65146153E+03 EK= 0.55898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311387800101E+03 -0.23783E+00 -0.19782E-01 7872 0.251E+01 0.380E-01 RMM: 2 -0.311396489450E+03 -0.86893E-02 -0.83092E-02 4919 0.697E-01 0.759E-01 RMM: 3 -0.311392844246E+03 0.36452E-02 -0.96498E-03 5492 0.207E-01 0.295E-01 RMM: 4 -0.311393825588E+03 -0.98134E-03 -0.19885E-03 5143 0.111E-01 0.491E-01 RMM: 5 -0.311392183820E+03 0.16418E-02 -0.87144E-04 4604 0.801E-02 0.128E-01 RMM: 6 -0.311392103275E+03 0.80545E-04 -0.16108E-04 3875 0.325E-02 0.825E-02 RMM: 7 -0.311392125994E+03 -0.22719E-04 -0.86804E-05 3726 0.267E-02 0.104E-01 RMM: 8 -0.311392055007E+03 0.70987E-04 -0.40275E-05 3138 0.195E-02 0.295E-02 RMM: 9 -0.311392058806E+03 -0.37992E-05 -0.12622E-05 2498 0.101E-02 45 T= 6909. E= 0.68094793E+03 F= 0.62379078E+03 E0= 0.65158117E+03 EK= 0.57157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311574664146E+03 -0.18261E+00 -0.20932E-01 7872 0.253E+01 0.369E-01 RMM: 2 -0.311586613813E+03 -0.11950E-01 -0.10666E-01 4862 0.773E-01 0.822E-01 RMM: 3 -0.311581787954E+03 0.48259E-02 -0.12496E-02 5564 0.231E-01 0.261E-01 RMM: 4 -0.311582692736E+03 -0.90478E-03 -0.20198E-03 5199 0.111E-01 0.466E-01 RMM: 5 -0.311581245180E+03 0.14476E-02 -0.79104E-04 4607 0.753E-02 0.130E-01 RMM: 6 -0.311581157270E+03 0.87910E-04 -0.15769E-04 3874 0.321E-02 0.724E-02 RMM: 7 -0.311581200514E+03 -0.43244E-04 -0.72074E-05 3560 0.243E-02 0.108E-01 RMM: 8 -0.311581124318E+03 0.76196E-04 -0.38198E-05 3080 0.194E-02 0.250E-02 RMM: 9 -0.311581131532E+03 -0.72134E-05 -0.13073E-05 2503 0.102E-02 46 T= 6904. E= 0.68106230E+03 F= 0.62394919E+03 E0= 0.65175864E+03 EK= 0.57113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311660085730E+03 -0.78961E-01 -0.20364E-01 8172 0.250E+01 0.368E-01 RMM: 2 -0.311672025959E+03 -0.11940E-01 -0.10577E-01 4930 0.748E-01 0.834E-01 RMM: 3 -0.311667055129E+03 0.49708E-02 -0.11476E-02 5577 0.221E-01 0.276E-01 RMM: 4 -0.311668035894E+03 -0.98077E-03 -0.22086E-03 5229 0.118E-01 0.489E-01 RMM: 5 -0.311666486386E+03 0.15495E-02 -0.91246E-04 4608 0.821E-02 0.144E-01 RMM: 6 -0.311666370259E+03 0.11613E-03 -0.17591E-04 3880 0.344E-02 0.781E-02 RMM: 7 -0.311666407169E+03 -0.36911E-04 -0.94357E-05 3764 0.285E-02 0.109E-01 RMM: 8 -0.311666330387E+03 0.76782E-04 -0.40373E-05 3151 0.197E-02 0.296E-02 RMM: 9 -0.311666334042E+03 -0.36546E-05 -0.12293E-05 2498 0.101E-02 47 T= 6736. E= 0.67994471E+03 F= 0.62421952E+03 E0= 0.65204751E+03 EK= 0.55725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311613891302E+03 0.52439E-01 -0.19502E-01 8532 0.246E+01 0.371E-01 RMM: 2 -0.311624809360E+03 -0.10918E-01 -0.94174E-02 5093 0.683E-01 0.839E-01 RMM: 3 -0.311619502358E+03 0.53070E-02 -0.94461E-03 5501 0.210E-01 0.271E-01 RMM: 4 -0.311620600939E+03 -0.10986E-02 -0.21203E-03 5165 0.116E-01 0.496E-01 RMM: 5 -0.311618994290E+03 0.16066E-02 -0.91766E-04 4608 0.817E-02 0.153E-01 RMM: 6 -0.311618872236E+03 0.12205E-03 -0.20153E-04 3885 0.369E-02 0.845E-02 RMM: 7 -0.311618913107E+03 -0.40871E-04 -0.10372E-04 3841 0.300E-02 0.116E-01 RMM: 8 -0.311618826913E+03 0.86193E-04 -0.43644E-05 3199 0.206E-02 0.312E-02 RMM: 9 -0.311618832721E+03 -0.58074E-05 -0.14044E-05 2513 0.109E-02 48 T= 6470. E= 0.67815650E+03 F= 0.62463382E+03 E0= 0.65247868E+03 EK= 0.53523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311420173620E+03 0.19865E+00 -0.20156E-01 8472 0.240E+01 0.367E-01 RMM: 2 -0.311434055132E+03 -0.13882E-01 -0.12424E-01 4940 0.791E-01 0.841E-01 RMM: 3 -0.311428611966E+03 0.54432E-02 -0.12940E-02 5679 0.229E-01 0.257E-01 RMM: 4 -0.311429554075E+03 -0.94211E-03 -0.23749E-03 5271 0.125E-01 0.488E-01 RMM: 5 -0.311428059317E+03 0.14948E-02 -0.98472E-04 4607 0.855E-02 0.153E-01 RMM: 6 -0.311427946103E+03 0.11321E-03 -0.21206E-04 3882 0.379E-02 0.966E-02 RMM: 7 -0.311427956152E+03 -0.10049E-04 -0.12989E-04 3869 0.353E-02 49 T= 6201. E= 0.67650477E+03 F= 0.62520411E+03 E0= 0.65306310E+03 EK= 0.51301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311081013607E+03 0.34693E+00 -0.18839E-01 8808 0.234E+01 0.415E-01 RMM: 2 -0.311092906372E+03 -0.11893E-01 -0.11193E-01 5081 0.724E-01 0.829E-01 RMM: 3 -0.311087813009E+03 0.50934E-02 -0.10868E-02 5617 0.215E-01 0.320E-01 RMM: 4 -0.311088999518E+03 -0.11865E-02 -0.28021E-03 5318 0.137E-01 0.550E-01 RMM: 5 -0.311086995301E+03 0.20042E-02 -0.13657E-03 4613 0.101E-01 0.144E-01 RMM: 6 -0.311086956996E+03 0.38305E-04 -0.24275E-04 3896 0.405E-02 0.132E-01 RMM: 7 -0.311086906008E+03 0.50988E-04 -0.17779E-04 3882 0.414E-02 0.105E-01 RMM: 8 -0.311086844679E+03 0.61330E-04 -0.50166E-05 3268 0.219E-02 0.433E-02 RMM: 9 -0.311086864892E+03 -0.20214E-04 -0.23741E-05 2616 0.143E-02 0.629E-02 RMM: 10 -0.311086850457E+03 0.14435E-04 -0.21426E-05 2542 0.144E-02 50 T= 6015. E= 0.67569900E+03 F= 0.62593591E+03 E0= 0.65380525E+03 EK= 0.49763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310570671422E+03 0.51619E+00 -0.19502E-01 8784 0.232E+01 0.311E-01 RMM: 2 -0.310583075127E+03 -0.12404E-01 -0.12684E-01 4977 0.766E-01 0.605E-01 RMM: 3 -0.310579945605E+03 0.31295E-02 -0.12542E-02 5855 0.213E-01 0.241E-01 RMM: 4 -0.310580431711E+03 -0.48611E-03 -0.16537E-03 4988 0.104E-01 0.409E-01 RMM: 5 -0.310579354364E+03 0.10773E-02 -0.73478E-04 4593 0.733E-02 0.132E-01 RMM: 6 -0.310579288328E+03 0.66036E-04 -0.19235E-04 3884 0.363E-02 0.939E-02 RMM: 7 -0.310579279286E+03 0.90422E-05 -0.84365E-05 3769 0.291E-02 51 T= 5963. E= 0.67617509E+03 F= 0.62684154E+03 E0= 0.65471881E+03 EK= 0.49334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309867943606E+03 0.71134E+00 -0.20021E-01 8808 0.231E+01 0.438E-01 RMM: 2 -0.309881017227E+03 -0.13074E-01 -0.13339E-01 5179 0.767E-01 0.782E-01 RMM: 3 -0.309876400559E+03 0.46167E-02 -0.12150E-02 5660 0.221E-01 0.359E-01 RMM: 4 -0.309877505383E+03 -0.11048E-02 -0.27665E-03 5305 0.133E-01 0.569E-01 RMM: 5 -0.309875295989E+03 0.22094E-02 -0.13433E-03 4615 0.997E-02 0.124E-01 RMM: 6 -0.309875329904E+03 -0.33915E-04 -0.26422E-04 3911 0.416E-02 0.148E-01 RMM: 7 -0.309875264855E+03 0.65049E-04 -0.13027E-04 3882 0.345E-02 0.116E-01 RMM: 8 -0.309875182228E+03 0.82627E-04 -0.50616E-05 3274 0.211E-02 0.381E-02 RMM: 9 -0.309875205676E+03 -0.23448E-04 -0.27508E-05 2773 0.150E-02 0.625E-02 RMM: 10 -0.309875187865E+03 0.17812E-04 -0.19993E-05 2544 0.146E-02 52 T= 6058. E= 0.67806425E+03 F= 0.62794565E+03 E0= 0.65582590E+03 EK= 0.50119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308923683961E+03 0.95152E+00 -0.21141E-01 8820 0.234E+01 0.314E-01 RMM: 2 -0.308936411125E+03 -0.12727E-01 -0.14205E-01 5233 0.766E-01 0.447E-01 RMM: 3 -0.308934341751E+03 0.20694E-02 -0.11959E-02 5994 0.201E-01 0.302E-01 RMM: 4 -0.308934418237E+03 -0.76485E-04 -0.14102E-03 4801 0.950E-02 0.381E-01 RMM: 5 -0.308933441897E+03 0.97634E-03 -0.65470E-04 4566 0.682E-02 0.957E-02 RMM: 6 -0.308933463624E+03 -0.21727E-04 -0.17005E-04 3884 0.340E-02 0.114E-01 RMM: 7 -0.308933408817E+03 0.54807E-04 -0.65274E-05 3508 0.256E-02 0.719E-02 RMM: 8 -0.308933376482E+03 0.32336E-04 -0.17534E-05 2560 0.130E-02 0.242E-02 RMM: 9 -0.308933383895E+03 -0.74131E-05 -0.10903E-05 2476 0.940E-03 53 T= 6275. E= 0.68119299E+03 F= 0.62928410E+03 E0= 0.65716444E+03 EK= 0.51909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307706568296E+03 0.12268E+01 -0.22704E-01 9072 0.237E+01 0.379E-01 RMM: 2 -0.307720463564E+03 -0.13895E-01 -0.14773E-01 5417 0.780E-01 0.634E-01 RMM: 3 -0.307716894309E+03 0.35693E-02 -0.11269E-02 5791 0.208E-01 0.327E-01 RMM: 4 -0.307717408004E+03 -0.51369E-03 -0.18692E-03 4963 0.108E-01 0.468E-01 RMM: 5 -0.307715933514E+03 0.14745E-02 -0.89480E-04 4595 0.795E-02 0.110E-01 RMM: 6 -0.307715958542E+03 -0.25028E-04 -0.21214E-04 3884 0.372E-02 0.129E-01 RMM: 7 -0.307715898949E+03 0.59592E-04 -0.85856E-05 3700 0.276E-02 0.947E-02 RMM: 8 -0.307715842474E+03 0.56475E-04 -0.32880E-05 3014 0.172E-02 0.308E-02 RMM: 9 -0.307715858089E+03 -0.15615E-04 -0.18108E-05 2540 0.121E-02 54 T= 6549. E= 0.68507182E+03 F= 0.63089130E+03 E0= 0.65876881E+03 EK= 0.54181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306198102551E+03 0.15177E+01 -0.24719E-01 9012 0.242E+01 0.360E-01 RMM: 2 -0.306214439812E+03 -0.16337E-01 -0.16147E-01 5417 0.819E-01 0.723E-01 RMM: 3 -0.306209691196E+03 0.47486E-02 -0.12339E-02 5871 0.214E-01 0.265E-01 RMM: 4 -0.306210251488E+03 -0.56029E-03 -0.18931E-03 4983 0.108E-01 0.440E-01 RMM: 5 -0.306209005700E+03 0.12458E-02 -0.84743E-04 4598 0.783E-02 0.141E-01 RMM: 6 -0.306208942075E+03 0.63624E-04 -0.21693E-04 3896 0.376E-02 0.109E-01 RMM: 7 -0.306208934566E+03 0.75093E-05 -0.92736E-05 3774 0.283E-02 55 T= 6790. E= 0.68894945E+03 F= 0.63277998E+03 E0= 0.66065201E+03 EK= 0.56169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304436523974E+03 0.17724E+01 -0.26191E-01 9036 0.245E+01 0.390E-01 RMM: 2 -0.304454257737E+03 -0.17734E-01 -0.17878E-01 5285 0.888E-01 0.727E-01 RMM: 3 -0.304449814579E+03 0.44432E-02 -0.15487E-02 5932 0.237E-01 0.306E-01 RMM: 4 -0.304450495881E+03 -0.68130E-03 -0.20971E-03 5085 0.113E-01 0.493E-01 RMM: 5 -0.304448804527E+03 0.16914E-02 -0.10782E-03 4608 0.886E-02 0.106E-01 RMM: 6 -0.304448969622E+03 -0.16510E-03 -0.28429E-04 3909 0.428E-02 0.187E-01 RMM: 7 -0.304448781927E+03 0.18770E-03 -0.12674E-04 3885 0.335E-02 0.972E-02 RMM: 8 -0.304448726959E+03 0.54967E-04 -0.46251E-05 3232 0.193E-02 0.375E-02 RMM: 9 -0.304448753622E+03 -0.26663E-04 -0.22095E-05 2584 0.136E-02 0.643E-02 RMM: 10 -0.304448733547E+03 0.20075E-04 -0.15350E-05 2525 0.127E-02 0.185E-02 RMM: 11 -0.304448733044E+03 0.50285E-06 -0.39885E-06 2440 0.604E-03 56 T= 6906. E= 0.69204439E+03 F= 0.63491576E+03 E0= 0.66278190E+03 EK= 0.57129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302522280560E+03 0.19265E+01 -0.28065E-01 8832 0.245E+01 0.318E-01 RMM: 2 -0.302542934900E+03 -0.20654E-01 -0.20166E-01 5189 0.968E-01 0.697E-01 RMM: 3 -0.302538452232E+03 0.44827E-02 -0.17688E-02 6046 0.242E-01 0.234E-01 RMM: 4 -0.302538600787E+03 -0.14856E-03 -0.17654E-03 5097 0.107E-01 0.383E-01 RMM: 5 -0.302537647813E+03 0.95297E-03 -0.79875E-04 4606 0.768E-02 0.131E-01 RMM: 6 -0.302537646239E+03 0.15742E-05 -0.27348E-04 3903 0.431E-02 0.134E-01 RMM: 7 -0.302537565856E+03 0.80383E-04 -0.96079E-05 3739 0.301E-02 0.853E-02 RMM: 8 -0.302537518863E+03 0.46993E-04 -0.23416E-05 2782 0.147E-02 0.266E-02 RMM: 9 -0.302537521856E+03 -0.29935E-05 -0.10951E-05 2479 0.928E-03 57 T= 6855. E= 0.69391103E+03 F= 0.63719984E+03 E0= 0.66505971E+03 EK= 0.56711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300619747543E+03 0.19178E+01 -0.26259E-01 8916 0.243E+01 0.347E-01 RMM: 2 -0.300637182893E+03 -0.17435E-01 -0.18104E-01 5236 0.919E-01 0.617E-01 RMM: 3 -0.300633957063E+03 0.32258E-02 -0.16056E-02 6041 0.234E-01 0.273E-01 RMM: 4 -0.300634262000E+03 -0.30494E-03 -0.17248E-03 5005 0.106E-01 0.432E-01 RMM: 5 -0.300633015550E+03 0.12465E-02 -0.88016E-04 4608 0.795E-02 0.115E-01 RMM: 6 -0.300633176528E+03 -0.16098E-03 -0.34626E-04 3935 0.479E-02 0.193E-01 RMM: 7 -0.300632974368E+03 0.20216E-03 -0.14773E-04 3885 0.369E-02 0.931E-02 RMM: 8 -0.300632921396E+03 0.52972E-04 -0.33690E-05 2998 0.172E-02 0.359E-02 RMM: 9 -0.300632939726E+03 -0.18330E-04 -0.22578E-05 2592 0.136E-02 58 T= 6672. E= 0.69467225E+03 F= 0.63947835E+03 E0= 0.66733151E+03 EK= 0.55194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298907714180E+03 0.17252E+01 -0.24689E-01 8796 0.240E+01 0.331E-01 RMM: 2 -0.298926662246E+03 -0.18948E-01 -0.17658E-01 5162 0.924E-01 0.782E-01 RMM: 3 -0.298921678119E+03 0.49841E-02 -0.16909E-02 6030 0.239E-01 0.226E-01 RMM: 4 -0.298921823300E+03 -0.14518E-03 -0.17422E-03 5008 0.108E-01 0.382E-01 RMM: 5 -0.298920917213E+03 0.90609E-03 -0.84629E-04 4604 0.797E-02 0.150E-01 RMM: 6 -0.298920996800E+03 -0.79587E-04 -0.32576E-04 3902 0.460E-02 0.186E-01 RMM: 7 -0.298920831218E+03 0.16558E-03 -0.15600E-04 3880 0.380E-02 0.106E-01 RMM: 8 -0.298920759529E+03 0.71690E-04 -0.47892E-05 3260 0.202E-02 0.325E-02 RMM: 9 -0.298920775197E+03 -0.15668E-04 -0.19863E-05 2547 0.128E-02 59 T= 6446. E= 0.69489486E+03 F= 0.64156817E+03 E0= 0.66941557E+03 EK= 0.53327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297567204809E+03 0.13536E+01 -0.22636E-01 8544 0.237E+01 0.343E-01 RMM: 2 -0.297584709290E+03 -0.17504E-01 -0.16895E-01 5106 0.919E-01 0.749E-01 RMM: 3 -0.297580466908E+03 0.42424E-02 -0.17068E-02 5975 0.242E-01 0.258E-01 RMM: 4 -0.297580654752E+03 -0.18784E-03 -0.17404E-03 5023 0.106E-01 0.400E-01 RMM: 5 -0.297579598805E+03 0.10559E-02 -0.92039E-04 4608 0.826E-02 0.148E-01 RMM: 6 -0.297579652849E+03 -0.54044E-04 -0.39683E-04 4013 0.513E-02 0.176E-01 RMM: 7 -0.297579527424E+03 0.12543E-03 -0.15935E-04 3890 0.382E-02 0.116E-01 RMM: 8 -0.297579440754E+03 0.86670E-04 -0.43228E-05 3174 0.195E-02 0.366E-02 RMM: 9 -0.297579450644E+03 -0.98902E-05 -0.19135E-05 2551 0.125E-02 60 T= 6280. E= 0.69524126E+03 F= 0.64329153E+03 E0= 0.67113460E+03 EK= 0.51950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296744717463E+03 0.83472E+00 -0.19979E-01 8784 0.235E+01 0.358E-01 RMM: 2 -0.296760874038E+03 -0.16157E-01 -0.13733E-01 5114 0.838E-01 0.894E-01 RMM: 3 -0.296754791601E+03 0.60824E-02 -0.14175E-02 5775 0.233E-01 0.253E-01 RMM: 4 -0.296755214981E+03 -0.42338E-03 -0.19893E-03 5019 0.112E-01 0.417E-01 RMM: 5 -0.296754164223E+03 0.10508E-02 -0.89739E-04 4605 0.813E-02 0.178E-01 RMM: 6 -0.296754078815E+03 0.85408E-04 -0.30703E-04 3932 0.446E-02 0.145E-01 RMM: 7 -0.296754063337E+03 0.15479E-04 -0.16440E-04 3879 0.369E-02 61 T= 6246. E= 0.69616957E+03 F= 0.64450198E+03 E0= 0.67234344E+03 EK= 0.51668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296526391241E+03 0.22769E+00 -0.17978E-01 7992 0.236E+01 0.417E-01 RMM: 2 -0.296540068484E+03 -0.13677E-01 -0.12644E-01 5092 0.826E-01 0.871E-01 RMM: 3 -0.296535042837E+03 0.50256E-02 -0.14144E-02 5715 0.238E-01 0.332E-01 RMM: 4 -0.296535827316E+03 -0.78448E-03 -0.24498E-03 5237 0.124E-01 0.514E-01 RMM: 5 -0.296534015490E+03 0.18118E-02 -0.12305E-03 4606 0.945E-02 0.138E-01 RMM: 6 -0.296534128624E+03 -0.11313E-03 -0.34754E-04 3925 0.477E-02 0.191E-01 RMM: 7 -0.296533993442E+03 0.13518E-03 -0.15762E-04 3888 0.371E-02 0.132E-01 RMM: 8 -0.296533883736E+03 0.10971E-03 -0.71115E-05 3499 0.239E-02 0.430E-02 RMM: 9 -0.296533901244E+03 -0.17508E-04 -0.28227E-05 2796 0.155E-02 62 T= 6368. E= 0.69779070E+03 F= 0.64510775E+03 E0= 0.67294896E+03 EK= 0.52683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296920803081E+03 -0.38692E+00 -0.17704E-01 7848 0.240E+01 0.361E-01 RMM: 2 -0.296935854390E+03 -0.15051E-01 -0.11758E-01 5003 0.812E-01 0.983E-01 RMM: 3 -0.296929001911E+03 0.68525E-02 -0.13747E-02 5596 0.242E-01 0.248E-01 RMM: 4 -0.296929642399E+03 -0.64049E-03 -0.20058E-03 5060 0.108E-01 0.421E-01 RMM: 5 -0.296928501072E+03 0.11413E-02 -0.73927E-04 4598 0.718E-02 0.153E-01 RMM: 6 -0.296928362627E+03 0.13845E-03 -0.18594E-04 3890 0.351E-02 0.741E-02 RMM: 7 -0.296928415270E+03 -0.52643E-04 -0.83508E-05 3616 0.250E-02 0.116E-01 RMM: 8 -0.296928323618E+03 0.91653E-04 -0.44438E-05 3202 0.206E-02 0.280E-02 RMM: 9 -0.296928322245E+03 0.13730E-05 -0.89979E-06 2483 0.828E-03 63 T= 6614. E= 0.69981604E+03 F= 0.64509741E+03 E0= 0.67294375E+03 EK= 0.54719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297849216121E+03 -0.92089E+00 -0.18290E-01 7800 0.246E+01 0.431E-01 RMM: 2 -0.297862522847E+03 -0.13307E-01 -0.12977E-01 5026 0.854E-01 0.853E-01 RMM: 3 -0.297857874918E+03 0.46479E-02 -0.14789E-02 5659 0.247E-01 0.336E-01 RMM: 4 -0.297858727315E+03 -0.85240E-03 -0.24324E-03 5228 0.120E-01 0.527E-01 RMM: 5 -0.297856874750E+03 0.18526E-02 -0.10866E-03 4599 0.877E-02 0.125E-01 RMM: 6 -0.297856853858E+03 0.20892E-04 -0.19897E-04 3886 0.350E-02 0.121E-01 RMM: 7 -0.297856822627E+03 0.31231E-04 -0.95793E-05 3850 0.275E-02 0.106E-01 RMM: 8 -0.297856747945E+03 0.74682E-04 -0.39883E-05 3124 0.187E-02 0.309E-02 RMM: 9 -0.297856764640E+03 -0.16694E-04 -0.20126E-05 2558 0.127E-02 64 T= 6892. E= 0.70156690E+03 F= 0.64455129E+03 E0= 0.67240782E+03 EK= 0.57016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299162526303E+03 -0.13058E+01 -0.19927E-01 8160 0.251E+01 0.442E-01 RMM: 2 -0.299180121116E+03 -0.17595E-01 -0.16169E-01 5039 0.942E-01 0.964E-01 RMM: 3 -0.299173839289E+03 0.62818E-02 -0.18772E-02 5671 0.280E-01 0.341E-01 RMM: 4 -0.299174726743E+03 -0.88745E-03 -0.26547E-03 5279 0.122E-01 0.526E-01 RMM: 5 -0.299172833522E+03 0.18932E-02 -0.10598E-03 4615 0.863E-02 0.151E-01 RMM: 6 -0.299172714173E+03 0.11935E-03 -0.21308E-04 3893 0.372E-02 0.903E-02 RMM: 7 -0.299172758555E+03 -0.44383E-04 -0.10825E-04 3884 0.281E-02 0.123E-01 RMM: 8 -0.299172659106E+03 0.99449E-04 -0.53220E-05 3344 0.208E-02 0.378E-02 RMM: 9 -0.299172668716E+03 -0.96098E-05 -0.22725E-05 2625 0.134E-02 65 T= 7077. E= 0.70216166E+03 F= 0.64361838E+03 E0= 0.67149150E+03 EK= 0.58543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300702392837E+03 -0.15297E+01 -0.21604E-01 8496 0.254E+01 0.451E-01 RMM: 2 -0.300723022275E+03 -0.20629E-01 -0.18468E-01 5031 0.987E-01 0.103E+00 RMM: 3 -0.300715479868E+03 0.75424E-02 -0.20175E-02 5764 0.282E-01 0.329E-01 RMM: 4 -0.300716548264E+03 -0.10684E-02 -0.27814E-03 5302 0.129E-01 0.558E-01 RMM: 5 -0.300714479667E+03 0.20686E-02 -0.10620E-03 4608 0.864E-02 0.148E-01 RMM: 6 -0.300714383420E+03 0.96247E-04 -0.21357E-04 3886 0.364E-02 0.104E-01 RMM: 7 -0.300714410691E+03 -0.27271E-04 -0.13420E-04 3892 0.305E-02 0.128E-01 RMM: 8 -0.300714303950E+03 0.10674E-03 -0.75408E-05 3574 0.246E-02 0.360E-02 RMM: 9 -0.300714317646E+03 -0.13696E-04 -0.23428E-05 2659 0.139E-02 66 T= 7071. E= 0.70096139E+03 F= 0.64246527E+03 E0= 0.67036156E+03 EK= 0.58496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302345867516E+03 -0.16316E+01 -0.22402E-01 8664 0.252E+01 0.445E-01 RMM: 2 -0.302365382777E+03 -0.19515E-01 -0.18868E-01 5031 0.982E-01 0.908E-01 RMM: 3 -0.302359439423E+03 0.59434E-02 -0.19769E-02 5714 0.284E-01 0.357E-01 RMM: 4 -0.302360387903E+03 -0.94848E-03 -0.27437E-03 5314 0.128E-01 0.553E-01 RMM: 5 -0.302358318173E+03 0.20697E-02 -0.11309E-03 4619 0.889E-02 0.159E-01 RMM: 6 -0.302358206942E+03 0.11123E-03 -0.26504E-04 3908 0.416E-02 0.109E-01 RMM: 7 -0.302358235867E+03 -0.28924E-04 -0.11926E-04 3886 0.298E-02 0.131E-01 RMM: 8 -0.302358125222E+03 0.11064E-03 -0.55632E-05 3371 0.213E-02 0.395E-02 RMM: 9 -0.302358137958E+03 -0.12737E-04 -0.27642E-05 2806 0.148E-02 67 T= 6866. E= 0.69802000E+03 F= 0.64122159E+03 E0= 0.66914777E+03 EK= 0.56798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304031556426E+03 -0.16734E+01 -0.21890E-01 8784 0.248E+01 0.441E-01 RMM: 2 -0.304051097154E+03 -0.19541E-01 -0.17240E-01 5067 0.924E-01 0.100E+00 RMM: 3 -0.304043450506E+03 0.76466E-02 -0.17233E-02 5719 0.263E-01 0.313E-01 RMM: 4 -0.304044633852E+03 -0.11833E-02 -0.29377E-03 5311 0.136E-01 0.563E-01 RMM: 5 -0.304042610229E+03 0.20236E-02 -0.11567E-03 4613 0.913E-02 0.178E-01 RMM: 6 -0.304042460913E+03 0.14932E-03 -0.27482E-04 3920 0.424E-02 0.113E-01 RMM: 7 -0.304042484485E+03 -0.23573E-04 -0.14796E-04 3889 0.339E-02 0.130E-01 RMM: 8 -0.304042375586E+03 0.10890E-03 -0.73807E-05 3523 0.251E-02 0.377E-02 RMM: 9 -0.304042388728E+03 -0.13141E-04 -0.22468E-05 2633 0.136E-02 68 T= 6545. E= 0.69409775E+03 F= 0.63995452E+03 E0= 0.66791596E+03 EK= 0.54143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305742275760E+03 -0.16999E+01 -0.21154E-01 8772 0.242E+01 0.428E-01 RMM: 2 -0.305757989947E+03 -0.15714E-01 -0.15912E-01 5137 0.876E-01 0.786E-01 RMM: 3 -0.305753308957E+03 0.46810E-02 -0.15325E-02 5637 0.249E-01 0.350E-01 RMM: 4 -0.305754322593E+03 -0.10136E-02 -0.26267E-03 5297 0.130E-01 0.558E-01 RMM: 5 -0.305752240099E+03 0.20825E-02 -0.11518E-03 4611 0.908E-02 0.144E-01 RMM: 6 -0.305752225215E+03 0.14884E-04 -0.33717E-04 3982 0.472E-02 0.143E-01 RMM: 7 -0.305752162707E+03 0.62508E-04 -0.12737E-04 3881 0.337E-02 0.110E-01 RMM: 8 -0.305752085434E+03 0.77272E-04 -0.45698E-05 3224 0.198E-02 0.386E-02 RMM: 9 -0.305752103507E+03 -0.18073E-04 -0.24119E-05 2654 0.141E-02 69 T= 6230. E= 0.69022171E+03 F= 0.63868206E+03 E0= 0.66668298E+03 EK= 0.51540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307486631321E+03 -0.17345E+01 -0.20968E-01 8904 0.238E+01 0.436E-01 RMM: 2 -0.307502528597E+03 -0.15897E-01 -0.14455E-01 5143 0.829E-01 0.925E-01 RMM: 3 -0.307495923264E+03 0.66053E-02 -0.13058E-02 5652 0.235E-01 0.325E-01 RMM: 4 -0.307497187525E+03 -0.12643E-02 -0.29567E-03 5282 0.139E-01 0.571E-01 RMM: 5 -0.307495062078E+03 0.21254E-02 -0.13015E-03 4619 0.987E-02 0.175E-01 RMM: 6 -0.307494955348E+03 0.10673E-03 -0.31594E-04 3949 0.458E-02 0.132E-01 RMM: 7 -0.307494905359E+03 0.49990E-04 -0.14593E-04 3884 0.362E-02 0.106E-01 RMM: 8 -0.307494834524E+03 0.70835E-04 -0.54469E-05 3333 0.220E-02 0.339E-02 RMM: 9 -0.307494855505E+03 -0.20981E-04 -0.21850E-05 2600 0.135E-02 0.594E-02 RMM: 10 -0.307494840597E+03 0.14908E-04 -0.14602E-05 2514 0.124E-02 70 T= 6023. E= 0.68722046E+03 F= 0.63739616E+03 E0= 0.66543833E+03 EK= 0.49824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309264789137E+03 -0.17699E+01 -0.20832E-01 8748 0.236E+01 0.432E-01 RMM: 2 -0.309276814359E+03 -0.12025E-01 -0.14101E-01 5107 0.823E-01 0.607E-01 RMM: 3 -0.309274457381E+03 0.23570E-02 -0.13311E-02 5649 0.239E-01 0.445E-01 RMM: 4 -0.309275120988E+03 -0.66361E-03 -0.24480E-03 5284 0.125E-01 0.573E-01 RMM: 5 -0.309272874734E+03 0.22463E-02 -0.11972E-03 4608 0.924E-02 0.109E-01 RMM: 6 -0.309273010411E+03 -0.13568E-03 -0.31723E-04 3926 0.455E-02 0.184E-01 RMM: 7 -0.309272821066E+03 0.18934E-03 -0.12366E-04 3869 0.340E-02 0.847E-02 RMM: 8 -0.309272778671E+03 0.42395E-04 -0.32404E-05 2991 0.167E-02 0.368E-02 RMM: 9 -0.309272798204E+03 -0.19533E-04 -0.21955E-05 2578 0.134E-02 71 T= 5977. E= 0.68553624E+03 F= 0.63609068E+03 E0= 0.66417592E+03 EK= 0.49446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311062637113E+03 -0.17899E+01 -0.20845E-01 8832 0.238E+01 0.454E-01 RMM: 2 -0.311074337276E+03 -0.11700E-01 -0.13037E-01 5103 0.803E-01 0.719E-01 RMM: 3 -0.311071069051E+03 0.32682E-02 -0.12860E-02 5610 0.235E-01 0.421E-01 RMM: 4 -0.311071955670E+03 -0.88662E-03 -0.26097E-03 5297 0.128E-01 0.583E-01 RMM: 5 -0.311069629370E+03 0.23263E-02 -0.13305E-03 4618 0.985E-02 0.137E-01 RMM: 6 -0.311069623893E+03 0.54768E-05 -0.29898E-04 3928 0.444E-02 0.141E-01 RMM: 7 -0.311069586359E+03 0.37534E-04 -0.12126E-04 3871 0.321E-02 0.124E-01 RMM: 8 -0.311069485992E+03 0.10037E-03 -0.54996E-05 3362 0.216E-02 0.336E-02 RMM: 9 -0.311069505127E+03 -0.19135E-04 -0.20428E-05 2583 0.129E-02 72 T= 6099. E= 0.68523038E+03 F= 0.63477603E+03 E0= 0.66290414E+03 EK= 0.50454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312841215748E+03 -0.17717E+01 -0.20836E-01 8784 0.242E+01 0.453E-01 RMM: 2 -0.312853045091E+03 -0.11829E-01 -0.13471E-01 5042 0.814E-01 0.697E-01 RMM: 3 -0.312850105557E+03 0.29395E-02 -0.13467E-02 5640 0.237E-01 0.433E-01 RMM: 4 -0.312850491539E+03 -0.38598E-03 -0.25211E-03 5303 0.127E-01 0.531E-01 RMM: 5 -0.312848591470E+03 0.19001E-02 -0.11829E-03 4612 0.925E-02 0.138E-01 RMM: 6 -0.312848584857E+03 0.66131E-05 -0.28737E-04 3943 0.434E-02 0.142E-01 RMM: 7 -0.312848531859E+03 0.52997E-04 -0.12304E-04 3871 0.331E-02 0.117E-01 RMM: 8 -0.312848443376E+03 0.88484E-04 -0.50305E-05 3308 0.208E-02 0.345E-02 RMM: 9 -0.312848459839E+03 -0.16463E-04 -0.20270E-05 2586 0.128E-02 73 T= 6350. E= 0.68601414E+03 F= 0.63348272E+03 E0= 0.66165242E+03 EK= 0.52531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314553972477E+03 -0.17055E+01 -0.20938E-01 8640 0.247E+01 0.466E-01 RMM: 2 -0.314570404247E+03 -0.16432E-01 -0.14813E-01 4908 0.872E-01 0.993E-01 RMM: 3 -0.314563676485E+03 0.67278E-02 -0.16284E-02 5627 0.261E-01 0.356E-01 RMM: 4 -0.314565035635E+03 -0.13591E-02 -0.31824E-03 5326 0.141E-01 0.601E-01 RMM: 5 -0.314562599629E+03 0.24360E-02 -0.14682E-03 4622 0.105E-01 0.166E-01 RMM: 6 -0.314562502969E+03 0.96661E-04 -0.28233E-04 3903 0.427E-02 0.126E-01 RMM: 7 -0.314562484753E+03 0.18216E-04 -0.12646E-04 3882 0.327E-02 74 T= 6649. E= 0.68726179E+03 F= 0.63225417E+03 E0= 0.66046330E+03 EK= 0.55008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316164785888E+03 -0.16023E+01 -0.20981E-01 8160 0.251E+01 0.512E-01 RMM: 2 -0.316183171659E+03 -0.18386E-01 -0.15974E-01 4900 0.917E-01 0.108E+00 RMM: 3 -0.316175258743E+03 0.79129E-02 -0.18564E-02 5648 0.276E-01 0.400E-01 RMM: 4 -0.316176860191E+03 -0.16014E-02 -0.39699E-03 5318 0.158E-01 0.665E-01 RMM: 5 -0.316173916998E+03 0.29432E-02 -0.18211E-03 4670 0.116E-01 0.181E-01 RMM: 6 -0.316173857134E+03 0.59864E-04 -0.38388E-04 4176 0.496E-02 0.165E-01 RMM: 7 -0.316173797695E+03 0.59438E-04 -0.18316E-04 3884 0.387E-02 0.142E-01 RMM: 8 -0.316173671331E+03 0.12636E-03 -0.84454E-05 3576 0.269E-02 0.422E-02 RMM: 9 -0.316173702743E+03 -0.31412E-04 -0.29088E-05 2847 0.151E-02 0.752E-02 RMM: 10 -0.316173680536E+03 0.22207E-04 -0.23769E-05 2564 0.158E-02 0.322E-02 RMM: 11 -0.316173675475E+03 0.50619E-05 -0.59912E-06 2452 0.753E-03 75 T= 6889. E= 0.68811583E+03 F= 0.63112807E+03 E0= 0.65937287E+03 EK= 0.56988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317657364388E+03 -0.14837E+01 -0.21572E-01 7968 0.253E+01 0.424E-01 RMM: 2 -0.317674128532E+03 -0.16764E-01 -0.17147E-01 4764 0.959E-01 0.794E-01 RMM: 3 -0.317669992133E+03 0.41364E-02 -0.19890E-02 5815 0.272E-01 0.360E-01 RMM: 4 -0.317670803437E+03 -0.81130E-03 -0.27308E-03 5314 0.131E-01 0.552E-01 RMM: 5 -0.317668782511E+03 0.20209E-02 -0.13390E-03 4635 0.100E-01 0.175E-01 RMM: 6 -0.317668655868E+03 0.12664E-03 -0.32761E-04 3958 0.466E-02 0.119E-01 RMM: 7 -0.317668621391E+03 0.34477E-04 -0.11023E-04 3845 0.318E-02 0.984E-02 RMM: 8 -0.317668558423E+03 0.62968E-04 -0.27556E-05 2908 0.162E-02 0.311E-02 RMM: 9 -0.317668561476E+03 -0.30531E-05 -0.14427E-05 2497 0.108E-02 76 T= 6973. E= 0.68780488E+03 F= 0.63012117E+03 E0= 0.65839776E+03 EK= 0.57684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319052377017E+03 -0.13838E+01 -0.20250E-01 7896 0.251E+01 0.479E-01 RMM: 2 -0.319066938961E+03 -0.14562E-01 -0.14035E-01 4848 0.881E-01 0.923E-01 RMM: 3 -0.319061487876E+03 0.54511E-02 -0.16332E-02 5682 0.257E-01 0.372E-01 RMM: 4 -0.319063012018E+03 -0.15241E-02 -0.33779E-03 5326 0.147E-01 0.641E-01 RMM: 5 -0.319060270611E+03 0.27414E-02 -0.17403E-03 4688 0.115E-01 0.165E-01 RMM: 6 -0.319060237273E+03 0.33337E-04 -0.37483E-04 4064 0.495E-02 0.159E-01 RMM: 7 -0.319060191283E+03 0.45991E-04 -0.16798E-04 3876 0.385E-02 0.141E-01 RMM: 8 -0.319060065021E+03 0.12626E-03 -0.74258E-05 3528 0.254E-02 0.411E-02 RMM: 9 -0.319060087825E+03 -0.22804E-04 -0.26621E-05 2757 0.149E-02 0.684E-02 RMM: 10 -0.319060072562E+03 0.15262E-04 -0.20104E-05 2542 0.141E-02 77 T= 6869. E= 0.68605366E+03 F= 0.62922607E+03 E0= 0.65752898E+03 EK= 0.56828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320373206776E+03 -0.13131E+01 -0.19131E-01 7632 0.247E+01 0.448E-01 RMM: 2 -0.320383784017E+03 -0.10577E-01 -0.12107E-01 4894 0.823E-01 0.711E-01 RMM: 3 -0.320381063797E+03 0.27202E-02 -0.13794E-02 5699 0.234E-01 0.404E-01 RMM: 4 -0.320382182732E+03 -0.11189E-02 -0.31643E-03 5315 0.147E-01 0.615E-01 RMM: 5 -0.320379678899E+03 0.25038E-02 -0.17255E-03 4675 0.114E-01 0.148E-01 RMM: 6 -0.320379724150E+03 -0.45251E-04 -0.36790E-04 4096 0.496E-02 0.179E-01 RMM: 7 -0.320379569050E+03 0.15510E-03 -0.17563E-04 3879 0.409E-02 0.977E-02 RMM: 8 -0.320379512186E+03 0.56864E-04 -0.35935E-05 3029 0.185E-02 0.401E-02 RMM: 9 -0.320379531514E+03 -0.19327E-04 -0.28925E-05 2709 0.158E-02 78 T= 6628. E= 0.68324513E+03 F= 0.62841712E+03 E0= 0.65674234E+03 EK= 0.54828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321651501390E+03 -0.12720E+01 -0.18262E-01 8088 0.242E+01 0.478E-01 RMM: 2 -0.321660305572E+03 -0.88042E-02 -0.11061E-01 4938 0.792E-01 0.693E-01 RMM: 3 -0.321658114158E+03 0.21914E-02 -0.12678E-02 5554 0.235E-01 0.460E-01 RMM: 4 -0.321659018011E+03 -0.90385E-03 -0.31469E-03 5327 0.145E-01 0.620E-01 RMM: 5 -0.321656498187E+03 0.25198E-02 -0.15738E-03 4646 0.107E-01 0.167E-01 RMM: 6 -0.321656422999E+03 0.75187E-04 -0.35079E-04 4039 0.482E-02 0.142E-01 RMM: 7 -0.321656377964E+03 0.45035E-04 -0.15536E-04 3871 0.382E-02 0.123E-01 RMM: 8 -0.321656284442E+03 0.93522E-04 -0.49547E-05 3270 0.213E-02 0.391E-02 RMM: 9 -0.321656311046E+03 -0.26604E-04 -0.27214E-05 2722 0.151E-02 0.697E-02 RMM: 10 -0.321656291557E+03 0.19489E-04 -0.19400E-05 2536 0.139E-02 79 T= 6347. E= 0.68017529E+03 F= 0.62766871E+03 E0= 0.65601227E+03 EK= 0.52507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322903102498E+03 -0.12468E+01 -0.17478E-01 8160 0.237E+01 0.481E-01 RMM: 2 -0.322910854865E+03 -0.77524E-02 -0.10478E-01 4952 0.750E-01 0.642E-01 RMM: 3 -0.322909276719E+03 0.15781E-02 -0.11488E-02 5526 0.225E-01 0.510E-01 RMM: 4 -0.322909838399E+03 -0.56168E-03 -0.33569E-03 5298 0.153E-01 0.619E-01 RMM: 5 -0.322907288430E+03 0.25500E-02 -0.17019E-03 4653 0.112E-01 0.136E-01 RMM: 6 -0.322907360639E+03 -0.72209E-04 -0.32625E-04 3950 0.469E-02 0.178E-01 RMM: 7 -0.322907194240E+03 0.16640E-03 -0.15910E-04 3877 0.389E-02 0.980E-02 RMM: 8 -0.322907138785E+03 0.55455E-04 -0.47829E-05 3244 0.205E-02 0.417E-02 RMM: 9 -0.322907164702E+03 -0.25917E-04 -0.28348E-05 2692 0.157E-02 0.689E-02 RMM: 10 -0.322907142806E+03 0.21896E-04 -0.18900E-05 2543 0.137E-02 0.232E-02 RMM: 11 -0.322907141473E+03 0.13323E-05 -0.49046E-06 2439 0.659E-03 80 T= 6126. E= 0.67763954E+03 F= 0.62696431E+03 E0= 0.65532410E+03 EK= 0.50675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324129068714E+03 -0.12219E+01 -0.18093E-01 8520 0.235E+01 0.508E-01 RMM: 2 -0.324135724856E+03 -0.66561E-02 -0.10709E-01 5004 0.754E-01 0.554E-01 RMM: 3 -0.324135931196E+03 -0.20634E-03 -0.12167E-02 5409 0.244E-01 0.648E-01 RMM: 4 -0.324134691873E+03 0.12393E-02 -0.29640E-03 5311 0.141E-01 0.518E-01 RMM: 5 -0.324132922077E+03 0.17698E-02 -0.11100E-03 4608 0.872E-02 0.141E-01 RMM: 6 -0.324132971088E+03 -0.49011E-04 -0.34033E-04 3986 0.475E-02 0.172E-01 RMM: 7 -0.324132805707E+03 0.16538E-03 -0.15040E-04 3886 0.374E-02 0.825E-02 RMM: 8 -0.324132773326E+03 0.32381E-04 -0.33162E-05 2969 0.174E-02 0.467E-02 RMM: 9 -0.324132798004E+03 -0.24678E-04 -0.29441E-05 2769 0.154E-02 0.714E-02 RMM: 10 -0.324132772616E+03 0.25387E-04 -0.21438E-05 2578 0.149E-02 0.199E-02 RMM: 11 -0.324132771915E+03 0.70085E-06 -0.40641E-06 2437 0.584E-03 81 T= 6028. E= 0.67616920E+03 F= 0.62629974E+03 E0= 0.65467478E+03 EK= 0.49869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325314136704E+03 -0.11814E+01 -0.18631E-01 8544 0.234E+01 0.509E-01 RMM: 2 -0.325321197631E+03 -0.70609E-02 -0.10959E-01 5071 0.745E-01 0.575E-01 RMM: 3 -0.325321081905E+03 0.11573E-03 -0.11925E-02 5427 0.238E-01 0.633E-01 RMM: 4 -0.325320539556E+03 0.54235E-03 -0.29302E-03 5313 0.138E-01 0.597E-01 RMM: 5 -0.325318147668E+03 0.23919E-02 -0.14391E-03 4609 0.100E-01 0.126E-01 RMM: 6 -0.325318245973E+03 -0.98306E-04 -0.33960E-04 3988 0.473E-02 0.181E-01 RMM: 7 -0.325318082521E+03 0.16345E-03 -0.14162E-04 3876 0.359E-02 0.102E-01 RMM: 8 -0.325318021686E+03 0.60834E-04 -0.45818E-05 3213 0.196E-02 0.429E-02 RMM: 9 -0.325318050309E+03 -0.28623E-04 -0.31791E-05 2895 0.160E-02 0.733E-02 RMM: 10 -0.325318023845E+03 0.26465E-04 -0.21560E-05 2576 0.150E-02 0.209E-02 RMM: 11 -0.325318022820E+03 0.10241E-05 -0.41744E-06 2440 0.585E-03 82 T= 6078. E= 0.67596442E+03 F= 0.62568395E+03 E0= 0.65407424E+03 EK= 0.50280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326430272772E+03 -0.11122E+01 -0.19413E-01 8676 0.236E+01 0.508E-01 RMM: 2 -0.326438279953E+03 -0.80072E-02 -0.11624E-01 5081 0.762E-01 0.612E-01 RMM: 3 -0.326437539797E+03 0.74016E-03 -0.12352E-02 5451 0.241E-01 0.605E-01 RMM: 4 -0.326437264467E+03 0.27533E-03 -0.29839E-03 5300 0.141E-01 0.601E-01 RMM: 5 -0.326434866081E+03 0.23984E-02 -0.13155E-03 4611 0.954E-02 0.131E-01 RMM: 6 -0.326434946380E+03 -0.80300E-04 -0.34493E-04 3972 0.474E-02 0.177E-01 RMM: 7 -0.326434781217E+03 0.16516E-03 -0.14511E-04 3883 0.364E-02 0.936E-02 RMM: 8 -0.326434733720E+03 0.47497E-04 -0.39834E-05 3097 0.187E-02 0.436E-02 RMM: 9 -0.326434759674E+03 -0.25954E-04 -0.30485E-05 2817 0.157E-02 0.703E-02 RMM: 10 -0.326434734748E+03 0.24926E-04 -0.20451E-05 2558 0.146E-02 0.198E-02 RMM: 11 -0.326434734049E+03 0.69912E-06 -0.39693E-06 2437 0.569E-03 83 T= 6258. E= 0.67690644E+03 F= 0.62513821E+03 E0= 0.65354515E+03 EK= 0.51768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327448727405E+03 -0.10140E+01 -0.20755E-01 8892 0.240E+01 0.500E-01 RMM: 2 -0.327457190833E+03 -0.84634E-02 -0.12445E-01 5080 0.778E-01 0.539E-01 RMM: 3 -0.327456858145E+03 0.33269E-03 -0.12725E-02 5441 0.246E-01 0.622E-01 RMM: 4 -0.327456190664E+03 0.66748E-03 -0.28235E-03 5306 0.136E-01 0.574E-01 RMM: 5 -0.327453970690E+03 0.22200E-02 -0.12977E-03 4613 0.939E-02 0.125E-01 RMM: 6 -0.327454074647E+03 -0.10396E-03 -0.35246E-04 4006 0.483E-02 0.181E-01 RMM: 7 -0.327453896745E+03 0.17790E-03 -0.14756E-04 3876 0.366E-02 0.915E-02 RMM: 8 -0.327453850683E+03 0.46062E-04 -0.39393E-05 3088 0.185E-02 0.437E-02 RMM: 9 -0.327453876180E+03 -0.25496E-04 -0.31156E-05 2818 0.158E-02 0.701E-02 RMM: 10 -0.327453851405E+03 0.24774E-04 -0.21431E-05 2590 0.148E-02 0.194E-02 RMM: 11 -0.327453851066E+03 0.33898E-06 -0.41862E-06 2438 0.596E-03 84 T= 6513. E= 0.67856512E+03 F= 0.62468635E+03 E0= 0.65311256E+03 EK= 0.53879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328347138196E+03 -0.89329E+00 -0.22697E-01 8676 0.243E+01 0.497E-01 RMM: 2 -0.328359413314E+03 -0.12275E-01 -0.14679E-01 5080 0.849E-01 0.718E-01 RMM: 3 -0.328356454314E+03 0.29590E-02 -0.14611E-02 5605 0.251E-01 0.503E-01 RMM: 4 -0.328357350471E+03 -0.89616E-03 -0.34044E-03 5306 0.150E-01 0.650E-01 RMM: 5 -0.328354488682E+03 0.28618E-02 -0.17701E-03 4661 0.113E-01 0.151E-01 RMM: 6 -0.328354513701E+03 -0.25020E-04 -0.37988E-04 4115 0.498E-02 0.173E-01 RMM: 7 -0.328354421620E+03 0.92081E-04 -0.16302E-04 3881 0.378E-02 0.131E-01 RMM: 8 -0.328354314347E+03 0.10727E-03 -0.59657E-05 3405 0.229E-02 0.405E-02 RMM: 9 -0.328354338768E+03 -0.24421E-04 -0.32279E-05 2911 0.162E-02 0.684E-02 RMM: 10 -0.328354320292E+03 0.18477E-04 -0.22024E-05 2579 0.149E-02 85 T= 6758. E= 0.68025200E+03 F= 0.62434756E+03 E0= 0.65279670E+03 EK= 0.55904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329121992395E+03 -0.76765E+00 -0.24100E-01 8484 0.246E+01 0.484E-01 RMM: 2 -0.329135752634E+03 -0.13760E-01 -0.15951E-01 5163 0.871E-01 0.703E-01 RMM: 3 -0.329132404835E+03 0.33478E-02 -0.14805E-02 5631 0.252E-01 0.481E-01 RMM: 4 -0.329133297895E+03 -0.89306E-03 -0.33629E-03 5312 0.149E-01 0.634E-01 RMM: 5 -0.329130593184E+03 0.27047E-02 -0.17961E-03 4667 0.114E-01 0.153E-01 RMM: 6 -0.329130631351E+03 -0.38168E-04 -0.37794E-04 4095 0.503E-02 0.176E-01 RMM: 7 -0.329130546191E+03 0.85161E-04 -0.16552E-04 3880 0.382E-02 0.140E-01 RMM: 8 -0.329130420770E+03 0.12542E-03 -0.75464E-05 3545 0.255E-02 0.405E-02 RMM: 9 -0.329130446965E+03 -0.26195E-04 -0.32689E-05 2936 0.164E-02 0.699E-02 RMM: 10 -0.329130427427E+03 0.19538E-04 -0.22084E-05 2573 0.147E-02 86 T= 6900. E= 0.68121373E+03 F= 0.62412944E+03 E0= 0.65260588E+03 EK= 0.57084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329780859736E+03 -0.65041E+00 -0.25302E-01 8652 0.246E+01 0.493E-01 RMM: 2 -0.329795399341E+03 -0.14540E-01 -0.16659E-01 5116 0.882E-01 0.731E-01 RMM: 3 -0.329791672344E+03 0.37270E-02 -0.14839E-02 5626 0.254E-01 0.486E-01 RMM: 4 -0.329792529872E+03 -0.85753E-03 -0.36850E-03 5299 0.158E-01 0.640E-01 RMM: 5 -0.329789805730E+03 0.27241E-02 -0.18937E-03 4676 0.118E-01 0.150E-01 RMM: 6 -0.329789876114E+03 -0.70384E-04 -0.37071E-04 4115 0.496E-02 0.188E-01 RMM: 7 -0.329789738595E+03 0.13752E-03 -0.17388E-04 3880 0.394E-02 0.129E-01 RMM: 8 -0.329789636703E+03 0.10189E-03 -0.68235E-05 3493 0.243E-02 0.427E-02 RMM: 9 -0.329789661547E+03 -0.24845E-04 -0.32298E-05 2930 0.163E-02 0.706E-02 RMM: 10 -0.329789642879E+03 0.18669E-04 -0.21457E-05 2565 0.144E-02 87 T= 6883. E= 0.68096819E+03 F= 0.62402928E+03 E0= 0.65253701E+03 EK= 0.56939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330328318362E+03 -0.53866E+00 -0.25844E-01 8616 0.245E+01 0.497E-01 RMM: 2 -0.330342229121E+03 -0.13911E-01 -0.16931E-01 5142 0.880E-01 0.644E-01 RMM: 3 -0.330339602297E+03 0.26268E-02 -0.14417E-02 5532 0.256E-01 0.533E-01 RMM: 4 -0.330339679285E+03 -0.76988E-04 -0.34019E-03 5310 0.153E-01 0.590E-01 RMM: 5 -0.330337372725E+03 0.23066E-02 -0.16045E-03 4636 0.107E-01 0.130E-01 RMM: 6 -0.330337529769E+03 -0.15704E-03 -0.37696E-04 4113 0.505E-02 0.205E-01 RMM: 7 -0.330337314929E+03 0.21484E-03 -0.17157E-04 3879 0.393E-02 0.111E-01 RMM: 8 -0.330337242241E+03 0.72689E-04 -0.53307E-05 3311 0.215E-02 0.434E-02 RMM: 9 -0.330337269169E+03 -0.26929E-04 -0.36326E-05 2952 0.172E-02 0.708E-02 RMM: 10 -0.330337246227E+03 0.22942E-04 -0.24049E-05 2662 0.155E-02 0.214E-02 RMM: 11 -0.330337245661E+03 0.56694E-06 -0.49098E-06 2440 0.661E-03 88 T= 6712. E= 0.67957738E+03 F= 0.62404756E+03 E0= 0.65258887E+03 EK= 0.55530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330764516426E+03 -0.42727E+00 -0.26944E-01 8832 0.241E+01 0.520E-01 RMM: 2 -0.330778183638E+03 -0.13667E-01 -0.17393E-01 5101 0.895E-01 0.620E-01 RMM: 3 -0.330776390632E+03 0.17930E-02 -0.14830E-02 5478 0.263E-01 0.602E-01 RMM: 4 -0.330776151301E+03 0.23933E-03 -0.35311E-03 5314 0.154E-01 0.618E-01 RMM: 5 -0.330773621189E+03 0.25301E-02 -0.18033E-03 4684 0.114E-01 0.144E-01 RMM: 6 -0.330773755601E+03 -0.13441E-03 -0.41420E-04 4289 0.525E-02 0.208E-01 RMM: 7 -0.330773534447E+03 0.22115E-03 -0.17763E-04 3884 0.391E-02 0.109E-01 RMM: 8 -0.330773466037E+03 0.68409E-04 -0.46569E-05 3207 0.203E-02 0.461E-02 RMM: 9 -0.330773491978E+03 -0.25940E-04 -0.37218E-05 2957 0.174E-02 0.720E-02 RMM: 10 -0.330773467973E+03 0.24005E-04 -0.23766E-05 2664 0.155E-02 0.243E-02 RMM: 11 -0.330773466372E+03 0.16006E-05 -0.53943E-06 2444 0.676E-03 89 T= 6458. E= 0.67761006E+03 F= 0.62418858E+03 E0= 0.65276337E+03 EK= 0.53421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331098016825E+03 -0.32455E+00 -0.27660E-01 8796 0.238E+01 0.521E-01 RMM: 2 -0.331111403812E+03 -0.13387E-01 -0.17725E-01 5172 0.901E-01 0.546E-01 RMM: 3 -0.331110734817E+03 0.66899E-03 -0.15221E-02 5433 0.272E-01 0.663E-01 RMM: 4 -0.331109805405E+03 0.92941E-03 -0.33463E-03 5314 0.149E-01 0.590E-01 RMM: 5 -0.331107454491E+03 0.23509E-02 -0.16138E-03 4672 0.106E-01 0.135E-01 RMM: 6 -0.331107615394E+03 -0.16090E-03 -0.40476E-04 4240 0.521E-02 0.212E-01 RMM: 7 -0.331107368956E+03 0.24644E-03 -0.18063E-04 3888 0.394E-02 0.976E-02 RMM: 8 -0.331107319408E+03 0.49549E-04 -0.45169E-05 3191 0.199E-02 0.471E-02 RMM: 9 -0.331107349009E+03 -0.29601E-04 -0.34811E-05 2909 0.168E-02 0.757E-02 RMM: 10 -0.331107320241E+03 0.28768E-04 -0.24314E-05 2673 0.158E-02 0.199E-02 RMM: 11 -0.331107320359E+03 -0.11829E-06 -0.52564E-06 2442 0.677E-03 90 T= 6212. E= 0.67583138E+03 F= 0.62444478E+03 E0= 0.65305058E+03 EK= 0.51387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331353652089E+03 -0.24633E+00 -0.28260E-01 8868 0.235E+01 0.538E-01 RMM: 2 -0.331369756439E+03 -0.16104E-01 -0.19155E-01 5147 0.930E-01 0.736E-01 RMM: 3 -0.331366440528E+03 0.33159E-02 -0.16444E-02 5455 0.275E-01 0.561E-01 RMM: 4 -0.331367256018E+03 -0.81549E-03 -0.38127E-03 5303 0.156E-01 0.691E-01 RMM: 5 -0.331364025299E+03 0.32307E-02 -0.20050E-03 4702 0.120E-01 0.155E-01 RMM: 6 -0.331364088687E+03 -0.63387E-04 -0.45206E-04 4364 0.540E-02 0.191E-01 RMM: 7 -0.331363913520E+03 0.17517E-03 -0.18959E-04 3887 0.401E-02 0.110E-01 RMM: 8 -0.331363846730E+03 0.66790E-04 -0.43867E-05 3151 0.202E-02 0.451E-02 RMM: 9 -0.331363874988E+03 -0.28258E-04 -0.34378E-05 2915 0.166E-02 0.738E-02 RMM: 10 -0.331363849709E+03 0.25279E-04 -0.23224E-05 2610 0.154E-02 0.237E-02 RMM: 11 -0.331363848226E+03 0.14830E-05 -0.54811E-06 2445 0.686E-03 91 T= 6056. E= 0.67488613E+03 F= 0.62478864E+03 E0= 0.65342184E+03 EK= 0.50097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331571540073E+03 -0.20769E+00 -0.30389E-01 8880 0.233E+01 0.534E-01 RMM: 2 -0.331587948808E+03 -0.16409E-01 -0.19732E-01 5151 0.943E-01 0.701E-01 RMM: 3 -0.331584941434E+03 0.30074E-02 -0.16449E-02 5486 0.272E-01 0.572E-01 RMM: 4 -0.331585600315E+03 -0.65888E-03 -0.37051E-03 5298 0.155E-01 0.694E-01 RMM: 5 -0.331582441815E+03 0.31585E-02 -0.19054E-03 4660 0.116E-01 0.163E-01 RMM: 6 -0.331582464261E+03 -0.22446E-04 -0.41042E-04 4267 0.516E-02 0.181E-01 RMM: 7 -0.331582336479E+03 0.12778E-03 -0.18047E-04 3888 0.392E-02 0.122E-01 RMM: 8 -0.331582248207E+03 0.88273E-04 -0.53147E-05 3309 0.220E-02 0.448E-02 RMM: 9 -0.331582274111E+03 -0.25905E-04 -0.34439E-05 2932 0.167E-02 0.724E-02 RMM: 10 -0.331582252175E+03 0.21936E-04 -0.23183E-05 2572 0.153E-02 0.277E-02 RMM: 11 -0.331582249249E+03 0.29262E-05 -0.59266E-06 2447 0.726E-03 92 T= 6039. E= 0.67513682E+03 F= 0.62517515E+03 E0= 0.65383196E+03 EK= 0.49962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331792723034E+03 -0.21047E+00 -0.32884E-01 8964 0.234E+01 0.535E-01 RMM: 2 -0.331810191442E+03 -0.17468E-01 -0.19898E-01 5148 0.936E-01 0.781E-01 RMM: 3 -0.331805871321E+03 0.43201E-02 -0.16246E-02 5529 0.266E-01 0.521E-01 RMM: 4 -0.331807117336E+03 -0.12460E-02 -0.38451E-03 5290 0.157E-01 0.714E-01 RMM: 5 -0.331803722777E+03 0.33946E-02 -0.19978E-03 4651 0.120E-01 0.153E-01 RMM: 6 -0.331803761382E+03 -0.38605E-04 -0.39606E-04 4218 0.504E-02 0.179E-01 RMM: 7 -0.331803654095E+03 0.10729E-03 -0.16803E-04 3884 0.376E-02 0.131E-01 RMM: 8 -0.331803548067E+03 0.10603E-03 -0.60188E-05 3403 0.229E-02 0.412E-02 RMM: 9 -0.331803574300E+03 -0.26233E-04 -0.32832E-05 2925 0.164E-02 0.710E-02 RMM: 10 -0.331803552730E+03 0.21570E-04 -0.21146E-05 2564 0.148E-02 0.264E-02 RMM: 11 -0.331803550266E+03 0.24642E-05 -0.52836E-06 2446 0.677E-03 93 T= 6173. E= 0.67662697E+03 F= 0.62555593E+03 E0= 0.65423328E+03 EK= 0.51071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332043828649E+03 -0.24028E+00 -0.35371E-01 8880 0.237E+01 0.532E-01 RMM: 2 -0.332061633198E+03 -0.17805E-01 -0.20512E-01 5157 0.949E-01 0.755E-01 RMM: 3 -0.332057616353E+03 0.40168E-02 -0.16576E-02 5560 0.268E-01 0.525E-01 RMM: 4 -0.332058558889E+03 -0.94254E-03 -0.35262E-03 5299 0.149E-01 0.691E-01 RMM: 5 -0.332055411069E+03 0.31478E-02 -0.17807E-03 4624 0.112E-01 0.142E-01 RMM: 6 -0.332055455178E+03 -0.44109E-04 -0.36665E-04 4073 0.483E-02 0.172E-01 RMM: 7 -0.332055345740E+03 0.10944E-03 -0.15125E-04 3883 0.361E-02 0.120E-01 RMM: 8 -0.332055257985E+03 0.87755E-04 -0.49316E-05 3257 0.207E-02 0.403E-02 RMM: 9 -0.332055283448E+03 -0.25462E-04 -0.32126E-05 2887 0.161E-02 0.696E-02 RMM: 10 -0.332055261311E+03 0.22137E-04 -0.21053E-05 2562 0.149E-02 0.232E-02 RMM: 11 -0.332055259827E+03 0.14838E-05 -0.47541E-06 2444 0.638E-03 94 T= 6427. E= 0.67906602E+03 F= 0.62589719E+03 E0= 0.65459302E+03 EK= 0.53169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332329659582E+03 -0.27440E+00 -0.37527E-01 8904 0.241E+01 0.530E-01 RMM: 2 -0.332347892068E+03 -0.18232E-01 -0.21298E-01 5360 0.957E-01 0.717E-01 RMM: 3 -0.332344312823E+03 0.35792E-02 -0.15657E-02 5523 0.262E-01 0.552E-01 RMM: 4 -0.332344951801E+03 -0.63898E-03 -0.33907E-03 5305 0.145E-01 0.676E-01 RMM: 5 -0.332341917028E+03 0.30348E-02 -0.17351E-03 4634 0.111E-01 0.127E-01 RMM: 6 -0.332342000103E+03 -0.83075E-04 -0.34914E-04 3993 0.471E-02 0.177E-01 RMM: 7 -0.332341871975E+03 0.12813E-03 -0.13713E-04 3880 0.342E-02 0.116E-01 RMM: 8 -0.332341790110E+03 0.81865E-04 -0.49271E-05 3258 0.202E-02 0.395E-02 RMM: 9 -0.332341816930E+03 -0.26821E-04 -0.30941E-05 2873 0.159E-02 0.699E-02 RMM: 10 -0.332341791822E+03 0.25108E-04 -0.20161E-05 2571 0.148E-02 0.190E-02 RMM: 11 -0.332341791808E+03 0.14450E-07 -0.42967E-06 2442 0.594E-03 95 T= 6724. E= 0.68181520E+03 F= 0.62619147E+03 E0= 0.65490445E+03 EK= 0.55624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332629090521E+03 -0.28730E+00 -0.38007E-01 8940 0.246E+01 0.529E-01 RMM: 2 -0.332647320306E+03 -0.18230E-01 -0.21580E-01 5462 0.955E-01 0.693E-01 RMM: 3 -0.332644170722E+03 0.31496E-02 -0.15573E-02 5527 0.264E-01 0.569E-01 RMM: 4 -0.332644742605E+03 -0.57188E-03 -0.32401E-03 5307 0.140E-01 0.679E-01 RMM: 5 -0.332641676968E+03 0.30656E-02 -0.16569E-03 4637 0.108E-01 0.138E-01 RMM: 6 -0.332641711613E+03 -0.34644E-04 -0.35354E-04 4026 0.475E-02 0.163E-01 RMM: 7 -0.332641625066E+03 0.86547E-04 -0.13477E-04 3884 0.335E-02 0.123E-01 RMM: 8 -0.332641532050E+03 0.93015E-04 -0.55373E-05 3350 0.214E-02 0.416E-02 RMM: 9 -0.332641554396E+03 -0.22346E-04 -0.32509E-05 2920 0.161E-02 0.674E-02 RMM: 10 -0.332641533422E+03 0.20974E-04 -0.21276E-05 2598 0.152E-02 0.237E-02 RMM: 11 -0.332641531856E+03 0.15660E-05 -0.45791E-06 2443 0.635E-03 96 T= 6955. E= 0.68399438E+03 F= 0.62646169E+03 E0= 0.65519060E+03 EK= 0.57533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332912121969E+03 -0.27059E+00 -0.37598E-01 8904 0.249E+01 0.524E-01 RMM: 2 -0.332930395581E+03 -0.18274E-01 -0.21644E-01 5582 0.958E-01 0.680E-01 RMM: 3 -0.332927475888E+03 0.29197E-02 -0.15397E-02 5474 0.266E-01 0.569E-01 RMM: 4 -0.332928076122E+03 -0.60023E-03 -0.31931E-03 5315 0.140E-01 0.672E-01 RMM: 5 -0.332925013889E+03 0.30622E-02 -0.16106E-03 4630 0.107E-01 0.127E-01 RMM: 6 -0.332925096085E+03 -0.82196E-04 -0.35847E-04 4027 0.480E-02 0.176E-01 RMM: 7 -0.332924958094E+03 0.13799E-03 -0.14053E-04 3884 0.349E-02 0.109E-01 RMM: 8 -0.332924888416E+03 0.69678E-04 -0.44599E-05 3190 0.194E-02 0.413E-02 RMM: 9 -0.332924915111E+03 -0.26695E-04 -0.31336E-05 2880 0.159E-02 0.706E-02 RMM: 10 -0.332924889328E+03 0.25783E-04 -0.21786E-05 2616 0.153E-02 0.166E-02 RMM: 11 -0.332924890483E+03 -0.11557E-05 -0.45661E-06 2440 0.623E-03 97 T= 7020. E= 0.68481847E+03 F= 0.62674268E+03 E0= 0.65548589E+03 EK= 0.58076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333163716924E+03 -0.23883E+00 -0.35531E-01 8916 0.249E+01 0.525E-01 RMM: 2 -0.333182090872E+03 -0.18374E-01 -0.21157E-01 5579 0.956E-01 0.739E-01 RMM: 3 -0.333178198837E+03 0.38920E-02 -0.16252E-02 5450 0.276E-01 0.505E-01 RMM: 4 -0.333179180064E+03 -0.98123E-03 -0.34053E-03 5306 0.145E-01 0.662E-01 RMM: 5 -0.333176284002E+03 0.28961E-02 -0.15358E-03 4639 0.105E-01 0.170E-01 RMM: 6 -0.333176223617E+03 0.60385E-04 -0.40830E-04 4143 0.516E-02 0.152E-01 RMM: 7 -0.333176174724E+03 0.48893E-04 -0.17522E-04 3888 0.388E-02 0.131E-01 RMM: 8 -0.333176075015E+03 0.99709E-04 -0.61295E-05 3409 0.234E-02 0.487E-02 RMM: 9 -0.333176086214E+03 -0.11200E-04 -0.26322E-05 2712 0.146E-02 98 T= 6888. E= 0.68404349E+03 F= 0.62705752E+03 E0= 0.65581285E+03 EK= 0.56986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333400750434E+03 -0.22468E+00 -0.31836E-01 8964 0.246E+01 0.523E-01 RMM: 2 -0.333419582350E+03 -0.18832E-01 -0.20056E-01 5497 0.933E-01 0.875E-01 RMM: 3 -0.333414074938E+03 0.55074E-02 -0.15662E-02 5468 0.271E-01 0.466E-01 RMM: 4 -0.333416200667E+03 -0.21257E-02 -0.38401E-03 5274 0.158E-01 0.747E-01 RMM: 5 -0.333412453877E+03 0.37468E-02 -0.18851E-03 4654 0.117E-01 0.152E-01 RMM: 6 -0.333412495374E+03 -0.41497E-04 -0.45299E-04 4234 0.546E-02 0.180E-01 RMM: 7 -0.333412428984E+03 0.66391E-04 -0.20161E-04 3888 0.418E-02 0.153E-01 RMM: 8 -0.333412283179E+03 0.14580E-03 -0.84028E-05 3678 0.270E-02 0.483E-02 RMM: 9 -0.333412299677E+03 -0.16498E-04 -0.35774E-05 3003 0.172E-02 99 T= 6616. E= 0.68213103E+03 F= 0.62739588E+03 E0= 0.65616112E+03 EK= 0.54735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333663393815E+03 -0.25111E+00 -0.28288E-01 8904 0.240E+01 0.528E-01 RMM: 2 -0.333684411075E+03 -0.21017E-01 -0.20023E-01 5203 0.963E-01 0.103E+00 RMM: 3 -0.333676583658E+03 0.78274E-02 -0.17944E-02 5575 0.280E-01 0.414E-01 RMM: 4 -0.333678705656E+03 -0.21220E-02 -0.44238E-03 5234 0.168E-01 0.735E-01 RMM: 5 -0.333675410821E+03 0.32948E-02 -0.22326E-03 4729 0.129E-01 0.255E-01 RMM: 6 -0.333675087466E+03 0.32336E-03 -0.56652E-04 4582 0.612E-02 0.143E-01 RMM: 7 -0.333675146259E+03 -0.58792E-04 -0.25354E-04 3900 0.462E-02 0.175E-01 RMM: 8 -0.333674954977E+03 0.19128E-03 -0.90668E-05 3700 0.292E-02 0.537E-02 RMM: 9 -0.333674961011E+03 -0.60339E-05 -0.33291E-05 2935 0.166E-02 100 T= 6315. E= 0.67995956E+03 F= 0.62772033E+03 E0= 0.65649340E+03 EK= 0.52239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333986908425E+03 -0.31195E+00 -0.23769E-01 8976 0.235E+01 0.553E-01 RMM: 2 -0.334009729492E+03 -0.22821E-01 -0.19719E-01 5170 0.951E-01 0.120E+00 RMM: 3 -0.333999279172E+03 0.10450E-01 -0.19031E-02 5524 0.286E-01 0.411E-01 RMM: 4 -0.334001622660E+03 -0.23435E-02 -0.48896E-03 5265 0.176E-01 0.755E-01 RMM: 5 -0.333997971268E+03 0.36514E-02 -0.23812E-03 4700 0.133E-01 0.214E-01 RMM: 6 -0.333997796413E+03 0.17485E-03 -0.54973E-04 4484 0.602E-02 0.155E-01 RMM: 7 -0.333997792988E+03 0.34245E-05 -0.22702E-04 3890 0.435E-02 0.160E-01 RMM: 8 -0.333997635161E+03 0.15783E-03 -0.89546E-05 3685 0.286E-02 0.504E-02 RMM: 9 -0.333997652785E+03 -0.17624E-04 -0.35749E-05 3011 0.169E-02 101 T= 6090. E= 0.67837376E+03 F= 0.62799691E+03 E0= 0.65677776E+03 EK= 0.50377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334368613892E+03 -0.37098E+00 -0.21980E-01 8652 0.232E+01 0.550E-01 RMM: 2 -0.334392262873E+03 -0.23649E-01 -0.20217E-01 5089 0.964E-01 0.123E+00 RMM: 3 -0.334381262760E+03 0.11000E-01 -0.19681E-02 5608 0.287E-01 0.386E-01 RMM: 4 -0.334383436848E+03 -0.21741E-02 -0.49323E-03 5245 0.179E-01 0.726E-01 RMM: 5 -0.334380098574E+03 0.33383E-02 -0.20980E-03 4690 0.124E-01 0.223E-01 RMM: 6 -0.334379870766E+03 0.22781E-03 -0.43498E-04 4215 0.528E-02 0.140E-01 RMM: 7 -0.334379888719E+03 -0.17953E-04 -0.22197E-04 3892 0.434E-02 0.159E-01 RMM: 8 -0.334379732618E+03 0.15610E-03 -0.95729E-05 3653 0.292E-02 0.457E-02 RMM: 9 -0.334379756718E+03 -0.24100E-04 -0.30414E-05 2862 0.158E-02 0.729E-02 RMM: 10 -0.334379740947E+03 0.15771E-04 -0.23396E-05 2562 0.152E-02 102 T= 6007. E= 0.67791365E+03 F= 0.62822162E+03 E0= 0.65701140E+03 EK= 0.49692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334766800145E+03 -0.38704E+00 -0.20719E-01 8664 0.232E+01 0.557E-01 RMM: 2 -0.334784996891E+03 -0.18197E-01 -0.17691E-01 5201 0.894E-01 0.106E+00 RMM: 3 -0.334777045362E+03 0.79515E-02 -0.16169E-02 5524 0.270E-01 0.474E-01 RMM: 4 -0.334779334571E+03 -0.22892E-02 -0.47018E-03 5248 0.172E-01 0.774E-01 RMM: 5 -0.334775441881E+03 0.38927E-02 -0.22550E-03 4637 0.129E-01 0.199E-01 RMM: 6 -0.334775269617E+03 0.17226E-03 -0.38666E-04 4197 0.498E-02 0.134E-01 RMM: 7 -0.334775279678E+03 -0.10061E-04 -0.18210E-04 3888 0.384E-02 103 T= 6084. E= 0.67876266E+03 F= 0.62843307E+03 E0= 0.65723495E+03 EK= 0.50330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335096195582E+03 -0.32093E+00 -0.21186E-01 8844 0.234E+01 0.616E-01 RMM: 2 -0.335110136389E+03 -0.13941E-01 -0.16932E-01 5450 0.864E-01 0.877E-01 RMM: 3 -0.335106097573E+03 0.40388E-02 -0.14648E-02 5430 0.266E-01 0.648E-01 RMM: 4 -0.335107256586E+03 -0.11590E-02 -0.43344E-03 5283 0.162E-01 0.788E-01 RMM: 5 -0.335103048801E+03 0.42078E-02 -0.23948E-03 4634 0.132E-01 0.165E-01 RMM: 6 -0.335103108277E+03 -0.59476E-04 -0.45819E-04 4497 0.539E-02 0.199E-01 RMM: 7 -0.335102994928E+03 0.11335E-03 -0.18587E-04 3892 0.371E-02 0.155E-01 RMM: 8 -0.335102849621E+03 0.14531E-03 -0.10113E-04 3747 0.286E-02 0.533E-02 RMM: 9 -0.335102898868E+03 -0.49247E-04 -0.55221E-05 3315 0.197E-02 0.945E-02 RMM: 10 -0.335102853539E+03 0.45329E-04 -0.31540E-05 2951 0.186E-02 0.266E-02 RMM: 11 -0.335102851137E+03 0.24013E-05 -0.54919E-06 2452 0.679E-03 104 T= 6293. E= 0.68076344E+03 F= 0.62870533E+03 E0= 0.65752386E+03 EK= 0.52058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335262398577E+03 -0.15955E+00 -0.23266E-01 8736 0.238E+01 0.522E-01 RMM: 2 -0.335282097832E+03 -0.19699E-01 -0.20310E-01 5395 0.935E-01 0.963E-01 RMM: 3 -0.335275432476E+03 0.66654E-02 -0.16097E-02 5523 0.267E-01 0.490E-01 RMM: 4 -0.335277116138E+03 -0.16837E-02 -0.38374E-03 5270 0.152E-01 0.718E-01 RMM: 5 -0.335273750727E+03 0.33654E-02 -0.17899E-03 4629 0.114E-01 0.193E-01 RMM: 6 -0.335273532937E+03 0.21779E-03 -0.33816E-04 4009 0.473E-02 0.890E-02 RMM: 7 -0.335273538446E+03 -0.55088E-05 -0.83473E-05 3703 0.255E-02 105 T= 6564. E= 0.68342500E+03 F= 0.62912252E+03 E0= 0.65796134E+03 EK= 0.54302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335213448345E+03 0.60085E-01 -0.24584E-01 9048 0.242E+01 0.603E-01 RMM: 2 -0.335232602331E+03 -0.19154E-01 -0.19686E-01 5473 0.912E-01 0.105E+00 RMM: 3 -0.335225064248E+03 0.75381E-02 -0.15965E-02 5423 0.276E-01 0.548E-01 RMM: 4 -0.335227048830E+03 -0.19846E-02 -0.45819E-03 5321 0.165E-01 0.788E-01 RMM: 5 -0.335222779124E+03 0.42697E-02 -0.23906E-03 4634 0.132E-01 0.153E-01 RMM: 6 -0.335222864547E+03 -0.85423E-04 -0.46452E-04 4438 0.539E-02 0.202E-01 RMM: 7 -0.335222762716E+03 0.10183E-03 -0.17855E-04 3892 0.357E-02 0.166E-01 RMM: 8 -0.335222591354E+03 0.17136E-03 -0.11085E-04 3840 0.295E-02 0.479E-02 RMM: 9 -0.335222638362E+03 -0.47008E-04 -0.51619E-05 3282 0.194E-02 0.917E-02 RMM: 10 -0.335222592223E+03 0.46139E-04 -0.28577E-05 2897 0.178E-02 0.219E-02 RMM: 11 -0.335222592036E+03 0.18683E-06 -0.52860E-06 2452 0.662E-03 106 T= 6800. E= 0.68599908E+03 F= 0.62974850E+03 E0= 0.65861054E+03 EK= 0.56251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334924031059E+03 0.29856E+00 -0.27367E-01 8844 0.244E+01 0.507E-01 RMM: 2 -0.334944000010E+03 -0.19969E-01 -0.22098E-01 5536 0.958E-01 0.797E-01 RMM: 3 -0.334939185492E+03 0.48145E-02 -0.14709E-02 5453 0.262E-01 0.536E-01 RMM: 4 -0.334939869620E+03 -0.68413E-03 -0.33509E-03 5304 0.144E-01 0.645E-01 RMM: 5 -0.334937145570E+03 0.27240E-02 -0.15822E-03 4628 0.106E-01 0.148E-01 RMM: 6 -0.334937108821E+03 0.36749E-04 -0.31563E-04 3949 0.448E-02 0.137E-01 RMM: 7 -0.334937059252E+03 0.49569E-04 -0.10639E-04 3877 0.300E-02 0.114E-01 RMM: 8 -0.334936977351E+03 0.81901E-04 -0.39719E-05 3117 0.184E-02 0.337E-02 RMM: 9 -0.334936998235E+03 -0.20884E-04 -0.27310E-05 2744 0.147E-02 0.616E-02 RMM: 10 -0.334936978827E+03 0.19407E-04 -0.18458E-05 2530 0.142E-02 107 T= 6906. E= 0.68773151E+03 F= 0.63059934E+03 E0= 0.65948635E+03 EK= 0.57132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334456341845E+03 0.48066E+00 -0.27060E-01 8856 0.242E+01 0.519E-01 RMM: 2 -0.334473086449E+03 -0.16745E-01 -0.20526E-01 5850 0.887E-01 0.603E-01 RMM: 3 -0.334470277882E+03 0.28086E-02 -0.12482E-02 5407 0.245E-01 0.613E-01 RMM: 4 -0.334470282145E+03 -0.42626E-05 -0.29811E-03 5320 0.137E-01 0.652E-01 RMM: 5 -0.334467447989E+03 0.28342E-02 -0.16024E-03 4617 0.106E-01 0.114E-01 RMM: 6 -0.334467661808E+03 -0.21382E-03 -0.40880E-04 4213 0.518E-02 0.219E-01 RMM: 7 -0.334467396076E+03 0.26573E-03 -0.16172E-04 3887 0.362E-02 0.992E-02 RMM: 8 -0.334467345551E+03 0.50525E-04 -0.55987E-05 3349 0.208E-02 0.501E-02 RMM: 9 -0.334467374663E+03 -0.29112E-04 -0.32805E-05 2890 0.164E-02 0.762E-02 RMM: 10 -0.334467342318E+03 0.32345E-04 -0.21612E-05 2588 0.152E-02 0.163E-02 RMM: 11 -0.334467344325E+03 -0.20065E-05 -0.47943E-06 2440 0.620E-03 108 T= 6843. E= 0.68823716E+03 F= 0.63162982E+03 E0= 0.66054230E+03 EK= 0.56607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333905204873E+03 0.56214E+00 -0.26659E-01 8724 0.238E+01 0.492E-01 RMM: 2 -0.333922676975E+03 -0.17472E-01 -0.19917E-01 5897 0.883E-01 0.707E-01 RMM: 3 -0.333918403753E+03 0.42732E-02 -0.11370E-02 5415 0.235E-01 0.499E-01 RMM: 4 -0.333919164759E+03 -0.76101E-03 -0.31253E-03 5313 0.141E-01 0.632E-01 RMM: 5 -0.333916484293E+03 0.26805E-02 -0.16493E-03 4622 0.109E-01 0.146E-01 RMM: 6 -0.333916602967E+03 -0.11867E-03 -0.44928E-04 4394 0.539E-02 0.204E-01 RMM: 7 -0.333916371482E+03 0.23148E-03 -0.16501E-04 3878 0.371E-02 0.919E-02 RMM: 8 -0.333916326819E+03 0.44663E-04 -0.35160E-05 3025 0.177E-02 0.458E-02 RMM: 9 -0.333916350902E+03 -0.24082E-04 -0.30287E-05 2778 0.154E-02 0.699E-02 RMM: 10 -0.333916326137E+03 0.24765E-04 -0.23120E-05 2630 0.154E-02 0.180E-02 RMM: 11 -0.333916326733E+03 -0.59555E-06 -0.44298E-06 2436 0.598E-03 109 T= 6645. E= 0.68771230E+03 F= 0.63274294E+03 E0= 0.66167978E+03 EK= 0.54969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333398080364E+03 0.51825E+00 -0.25819E-01 8736 0.233E+01 0.486E-01 RMM: 2 -0.333414989203E+03 -0.16909E-01 -0.19518E-01 5752 0.888E-01 0.665E-01 RMM: 3 -0.333411265313E+03 0.37239E-02 -0.11968E-02 5463 0.238E-01 0.512E-01 RMM: 4 -0.333411934069E+03 -0.66876E-03 -0.33105E-03 5270 0.148E-01 0.630E-01 RMM: 5 -0.333409291052E+03 0.26430E-02 -0.17367E-03 4637 0.112E-01 0.150E-01 RMM: 6 -0.333409445552E+03 -0.15450E-03 -0.47301E-04 4455 0.555E-02 0.221E-01 RMM: 7 -0.333409176908E+03 0.26864E-03 -0.19042E-04 3888 0.397E-02 0.980E-02 RMM: 8 -0.333409125147E+03 0.51761E-04 -0.40845E-05 3112 0.193E-02 0.467E-02 RMM: 9 -0.333409154389E+03 -0.29242E-04 -0.33272E-05 2938 0.158E-02 0.770E-02 RMM: 10 -0.333409126701E+03 0.27688E-04 -0.25758E-05 2667 0.161E-02 0.217E-02 RMM: 11 -0.333409126469E+03 0.23202E-06 -0.53890E-06 2439 0.673E-03 110 T= 6403. E= 0.68678331E+03 F= 0.63381717E+03 E0= 0.66277725E+03 EK= 0.52966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333051097030E+03 0.35803E+00 -0.24498E-01 8736 0.229E+01 0.487E-01 RMM: 2 -0.333067651947E+03 -0.16555E-01 -0.18909E-01 5579 0.896E-01 0.693E-01 RMM: 3 -0.333063710629E+03 0.39413E-02 -0.13021E-02 5529 0.245E-01 0.471E-01 RMM: 4 -0.333064831143E+03 -0.11205E-02 -0.31939E-03 5293 0.144E-01 0.662E-01 RMM: 5 -0.333061924400E+03 0.29067E-02 -0.17827E-03 4632 0.113E-01 0.143E-01 RMM: 6 -0.333062104848E+03 -0.18045E-03 -0.49999E-04 4483 0.573E-02 0.227E-01 RMM: 7 -0.333061838981E+03 0.26587E-03 -0.19105E-04 3887 0.397E-02 0.110E-01 RMM: 8 -0.333061769765E+03 0.69216E-04 -0.43943E-05 3176 0.198E-02 0.440E-02 RMM: 9 -0.333061799761E+03 -0.29997E-04 -0.33666E-05 2929 0.160E-02 0.759E-02 RMM: 10 -0.333061772113E+03 0.27649E-04 -0.25531E-05 2692 0.161E-02 0.197E-02 RMM: 11 -0.333061772469E+03 -0.35611E-06 -0.50843E-06 2440 0.657E-03 111 T= 6215. E= 0.68614940E+03 F= 0.63473688E+03 E0= 0.66371873E+03 EK= 0.51413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332949778263E+03 0.11199E+00 -0.22460E-01 8856 0.227E+01 0.493E-01 RMM: 2 -0.332965022903E+03 -0.15245E-01 -0.17261E-01 5487 0.865E-01 0.741E-01 RMM: 3 -0.332960912323E+03 0.41106E-02 -0.12314E-02 5571 0.237E-01 0.475E-01 RMM: 4 -0.332962088763E+03 -0.11764E-02 -0.34127E-03 5268 0.149E-01 0.666E-01 RMM: 5 -0.332959137521E+03 0.29512E-02 -0.18952E-03 4621 0.117E-01 0.154E-01 RMM: 6 -0.332959244064E+03 -0.10654E-03 -0.45963E-04 4421 0.546E-02 0.207E-01 RMM: 7 -0.332959039024E+03 0.20504E-03 -0.17118E-04 3884 0.376E-02 0.116E-01 RMM: 8 -0.332958957784E+03 0.81240E-04 -0.47847E-05 3244 0.207E-02 0.430E-02 RMM: 9 -0.332958984839E+03 -0.27055E-04 -0.33005E-05 2966 0.158E-02 0.744E-02 RMM: 10 -0.332958960228E+03 0.24611E-04 -0.23822E-05 2620 0.157E-02 0.236E-02 RMM: 11 -0.332958959245E+03 0.98271E-06 -0.55156E-06 2441 0.688E-03 112 T= 6151. E= 0.68629931E+03 F= 0.63541449E+03 E0= 0.66441727E+03 EK= 0.50885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333136225338E+03 -0.17727E+00 -0.21105E-01 8844 0.227E+01 0.497E-01 RMM: 2 -0.333150460919E+03 -0.14236E-01 -0.16786E-01 5309 0.859E-01 0.696E-01 RMM: 3 -0.333147026386E+03 0.34345E-02 -0.13595E-02 5514 0.249E-01 0.511E-01 RMM: 4 -0.333148147439E+03 -0.11211E-02 -0.31971E-03 5296 0.141E-01 0.686E-01 RMM: 5 -0.333145018049E+03 0.31294E-02 -0.18404E-03 4623 0.115E-01 0.137E-01 RMM: 6 -0.333145131881E+03 -0.11383E-03 -0.39595E-04 4166 0.505E-02 0.197E-01 RMM: 7 -0.333144947412E+03 0.18447E-03 -0.13926E-04 3880 0.344E-02 0.113E-01 RMM: 8 -0.333144871270E+03 0.76142E-04 -0.49657E-05 3272 0.204E-02 0.408E-02 RMM: 9 -0.333144899279E+03 -0.28008E-04 -0.29793E-05 2872 0.152E-02 0.735E-02 RMM: 10 -0.333144872723E+03 0.26555E-04 -0.23519E-05 2627 0.157E-02 0.203E-02 RMM: 11 -0.333144872686E+03 0.37437E-07 -0.45457E-06 2436 0.617E-03 113 T= 6237. E= 0.68739706E+03 F= 0.63580095E+03 E0= 0.66482347E+03 EK= 0.51596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333616425652E+03 -0.47155E+00 -0.20604E-01 8844 0.231E+01 0.506E-01 RMM: 2 -0.333629480512E+03 -0.13055E-01 -0.15251E-01 5261 0.838E-01 0.761E-01 RMM: 3 -0.333625777743E+03 0.37028E-02 -0.12916E-02 5546 0.245E-01 0.508E-01 RMM: 4 -0.333627081342E+03 -0.13036E-02 -0.33326E-03 5289 0.144E-01 0.695E-01 RMM: 5 -0.333623854357E+03 0.32270E-02 -0.18229E-03 4612 0.115E-01 0.146E-01 RMM: 6 -0.333623873964E+03 -0.19607E-04 -0.36324E-04 4088 0.480E-02 0.166E-01 RMM: 7 -0.333623772077E+03 0.10189E-03 -0.12352E-04 3888 0.320E-02 0.118E-01 RMM: 8 -0.333623685885E+03 0.86192E-04 -0.50269E-05 3313 0.206E-02 0.399E-02 RMM: 9 -0.333623709670E+03 -0.23785E-04 -0.29855E-05 2893 0.153E-02 0.700E-02 RMM: 10 -0.333623686698E+03 0.22973E-04 -0.20930E-05 2570 0.150E-02 0.226E-02 RMM: 11 -0.333623685917E+03 0.78035E-06 -0.47603E-06 2438 0.640E-03 114 T= 6451. E= 0.68925145E+03 F= 0.63588749E+03 E0= 0.66492903E+03 EK= 0.53364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334355917576E+03 -0.73223E+00 -0.20116E-01 9060 0.236E+01 0.511E-01 RMM: 2 -0.334367569980E+03 -0.11652E-01 -0.14301E-01 5262 0.807E-01 0.728E-01 RMM: 3 -0.334364466818E+03 0.31032E-02 -0.12377E-02 5435 0.243E-01 0.542E-01 RMM: 4 -0.334365655199E+03 -0.11884E-02 -0.31721E-03 5290 0.138E-01 0.707E-01 RMM: 5 -0.334362346981E+03 0.33082E-02 -0.17803E-03 4619 0.112E-01 0.138E-01 RMM: 6 -0.334362365578E+03 -0.18598E-04 -0.32879E-04 4007 0.456E-02 0.158E-01 RMM: 7 -0.334362263174E+03 0.10240E-03 -0.10321E-04 3773 0.294E-02 0.107E-01 RMM: 8 -0.334362194930E+03 0.68244E-04 -0.45141E-05 3202 0.195E-02 0.406E-02 RMM: 9 -0.334362218820E+03 -0.23890E-04 -0.28959E-05 2852 0.152E-02 0.701E-02 RMM: 10 -0.334362194115E+03 0.24705E-04 -0.21949E-05 2599 0.153E-02 0.204E-02 RMM: 11 -0.334362193890E+03 0.22457E-06 -0.42325E-06 2436 0.602E-03 115 T= 6722. E= 0.69131576E+03 F= 0.63570503E+03 E0= 0.66476430E+03 EK= 0.55611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335294603500E+03 -0.93241E+00 -0.20640E-01 8904 0.241E+01 0.519E-01 RMM: 2 -0.335307109218E+03 -0.12506E-01 -0.14647E-01 5317 0.821E-01 0.803E-01 RMM: 3 -0.335303093771E+03 0.40154E-02 -0.12659E-02 5487 0.240E-01 0.512E-01 RMM: 4 -0.335304514074E+03 -0.14203E-02 -0.33945E-03 5280 0.143E-01 0.710E-01 RMM: 5 -0.335301155505E+03 0.33586E-02 -0.18020E-03 4611 0.114E-01 0.145E-01 RMM: 6 -0.335301141295E+03 0.14210E-04 -0.32772E-04 3995 0.453E-02 0.149E-01 RMM: 7 -0.335301077929E+03 0.63366E-04 -0.10457E-04 3843 0.291E-02 0.120E-01 RMM: 8 -0.335300987715E+03 0.90214E-04 -0.52714E-05 3334 0.209E-02 0.387E-02 RMM: 9 -0.335301010475E+03 -0.22760E-04 -0.29932E-05 2895 0.154E-02 0.683E-02 RMM: 10 -0.335300987239E+03 0.23236E-04 -0.21201E-05 2591 0.153E-02 0.200E-02 RMM: 11 -0.335300987196E+03 0.43126E-07 -0.44382E-06 2434 0.620E-03 116 T= 6947. E= 0.69278730E+03 F= 0.63531438E+03 E0= 0.66439070E+03 EK= 0.57473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336362535696E+03 -0.10615E+01 -0.21181E-01 8808 0.244E+01 0.521E-01 RMM: 2 -0.336374864804E+03 -0.12329E-01 -0.14083E-01 5286 0.823E-01 0.846E-01 RMM: 3 -0.336370523522E+03 0.43413E-02 -0.12241E-02 5480 0.241E-01 0.511E-01 RMM: 4 -0.336372076815E+03 -0.15533E-02 -0.35900E-03 5263 0.148E-01 0.723E-01 RMM: 5 -0.336368646585E+03 0.34302E-02 -0.18901E-03 4620 0.116E-01 0.151E-01 RMM: 6 -0.336368620258E+03 0.26328E-04 -0.32237E-04 4013 0.452E-02 0.148E-01 RMM: 7 -0.336368551443E+03 0.68815E-04 -0.10124E-04 3792 0.284E-02 0.118E-01 RMM: 8 -0.336368466098E+03 0.85345E-04 -0.53281E-05 3321 0.212E-02 0.403E-02 RMM: 9 -0.336368489663E+03 -0.23565E-04 -0.30569E-05 2908 0.156E-02 0.698E-02 RMM: 10 -0.336368466053E+03 0.23611E-04 -0.22024E-05 2620 0.155E-02 0.228E-02 RMM: 11 -0.336368465007E+03 0.10462E-05 -0.43948E-06 2436 0.616E-03 117 T= 7026. E= 0.69291827E+03 F= 0.63479202E+03 E0= 0.66388472E+03 EK= 0.58126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337495569692E+03 -0.11271E+01 -0.20951E-01 8748 0.244E+01 0.519E-01 RMM: 2 -0.337507751492E+03 -0.12182E-01 -0.14332E-01 5208 0.833E-01 0.804E-01 RMM: 3 -0.337503938884E+03 0.38126E-02 -0.13457E-02 5548 0.245E-01 0.495E-01 RMM: 4 -0.337505380439E+03 -0.14416E-02 -0.34261E-03 5275 0.146E-01 0.709E-01 RMM: 5 -0.337502046767E+03 0.33337E-02 -0.18250E-03 4617 0.115E-01 0.142E-01 RMM: 6 -0.337502080200E+03 -0.33433E-04 -0.36125E-04 4106 0.477E-02 0.169E-01 RMM: 7 -0.337501971417E+03 0.10878E-03 -0.11509E-04 3859 0.309E-02 0.117E-01 RMM: 8 -0.337501887793E+03 0.83625E-04 -0.53280E-05 3339 0.211E-02 0.413E-02 RMM: 9 -0.337501912477E+03 -0.24684E-04 -0.30379E-05 2887 0.156E-02 0.711E-02 RMM: 10 -0.337501888413E+03 0.24063E-04 -0.21781E-05 2602 0.154E-02 0.237E-02 RMM: 11 -0.337501887165E+03 0.12487E-05 -0.47376E-06 2437 0.641E-03 118 T= 6918. E= 0.69143798E+03 F= 0.63420772E+03 E0= 0.66331693E+03 EK= 0.57230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338652407631E+03 -0.11505E+01 -0.20619E-01 8484 0.241E+01 0.516E-01 RMM: 2 -0.338664405705E+03 -0.11998E-01 -0.13586E-01 5238 0.807E-01 0.844E-01 RMM: 3 -0.338659981162E+03 0.44245E-02 -0.12422E-02 5516 0.236E-01 0.482E-01 RMM: 4 -0.338661663391E+03 -0.16822E-02 -0.37507E-03 5201 0.155E-01 0.728E-01 RMM: 5 -0.338658217288E+03 0.34461E-02 -0.19560E-03 4618 0.119E-01 0.152E-01 RMM: 6 -0.338658254586E+03 -0.37298E-04 -0.38133E-04 4211 0.496E-02 0.178E-01 RMM: 7 -0.338658119475E+03 0.13511E-03 -0.12802E-04 3878 0.329E-02 0.117E-01 RMM: 8 -0.338658036406E+03 0.83069E-04 -0.54386E-05 3337 0.216E-02 0.423E-02 RMM: 9 -0.338658063010E+03 -0.26603E-04 -0.32177E-05 2949 0.160E-02 0.726E-02 RMM: 10 -0.338658037858E+03 0.25151E-04 -0.23012E-05 2652 0.157E-02 0.230E-02 RMM: 11 -0.338658037104E+03 0.75444E-06 -0.48312E-06 2437 0.638E-03 119 T= 6665. E= 0.68874983E+03 F= 0.63361161E+03 E0= 0.66273767E+03 EK= 0.55138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339813206372E+03 -0.11552E+01 -0.18995E-01 8736 0.237E+01 0.517E-01 RMM: 2 -0.339821586367E+03 -0.83800E-02 -0.11036E-01 5298 0.729E-01 0.741E-01 RMM: 3 -0.339818719023E+03 0.28673E-02 -0.10396E-02 5428 0.225E-01 0.516E-01 RMM: 4 -0.339819871428E+03 -0.11524E-02 -0.34052E-03 5223 0.149E-01 0.694E-01 RMM: 5 -0.339816699595E+03 0.31718E-02 -0.18367E-03 4617 0.116E-01 0.136E-01 RMM: 6 -0.339816813672E+03 -0.11408E-03 -0.44228E-04 4361 0.539E-02 0.199E-01 RMM: 7 -0.339816611957E+03 0.20171E-03 -0.15392E-04 3876 0.361E-02 0.104E-01 RMM: 8 -0.339816550195E+03 0.61763E-04 -0.45814E-05 3217 0.199E-02 0.449E-02 RMM: 9 -0.339816579041E+03 -0.28847E-04 -0.30814E-05 2896 0.156E-02 0.761E-02 RMM: 10 -0.339816551554E+03 0.27487E-04 -0.22842E-05 2617 0.155E-02 0.237E-02 RMM: 11 -0.339816550587E+03 0.96733E-06 -0.50487E-06 2440 0.651E-03 120 T= 6367. E= 0.68569877E+03 F= 0.63302859E+03 E0= 0.66217208E+03 EK= 0.52670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340968962687E+03 -0.11524E+01 -0.17964E-01 8124 0.232E+01 0.518E-01 RMM: 2 -0.340976972296E+03 -0.80096E-02 -0.10621E-01 5227 0.717E-01 0.746E-01 RMM: 3 -0.340974154188E+03 0.28181E-02 -0.10231E-02 5429 0.222E-01 0.530E-01 RMM: 4 -0.340975391703E+03 -0.12375E-02 -0.36143E-03 5179 0.155E-01 0.714E-01 RMM: 5 -0.340972062740E+03 0.33290E-02 -0.18853E-03 4618 0.117E-01 0.143E-01 RMM: 6 -0.340972193021E+03 -0.13028E-03 -0.44681E-04 4420 0.541E-02 0.210E-01 RMM: 7 -0.340971962226E+03 0.23079E-03 -0.15999E-04 3875 0.368E-02 0.106E-01 RMM: 8 -0.340971898881E+03 0.63345E-04 -0.47223E-05 3231 0.203E-02 0.461E-02 RMM: 9 -0.340971927736E+03 -0.28855E-04 -0.33752E-05 2962 0.162E-02 0.759E-02 RMM: 10 -0.340971899241E+03 0.28495E-04 -0.24816E-05 2714 0.162E-02 0.210E-02 RMM: 11 -0.340971899510E+03 -0.26936E-06 -0.49850E-06 2437 0.639E-03 121 T= 6126. E= 0.68314200E+03 F= 0.63246466E+03 E0= 0.66162578E+03 EK= 0.50677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342116242645E+03 -0.11443E+01 -0.17154E-01 8232 0.229E+01 0.526E-01 RMM: 2 -0.342121562232E+03 -0.53196E-02 -0.87061E-02 5353 0.655E-01 0.682E-01 RMM: 3 -0.342119911616E+03 0.16506E-02 -0.89212E-03 5366 0.215E-01 0.581E-01 RMM: 4 -0.342120590333E+03 -0.67872E-03 -0.31870E-03 5178 0.145E-01 0.692E-01 RMM: 5 -0.342117441592E+03 0.31487E-02 -0.17135E-03 4616 0.111E-01 0.138E-01 RMM: 6 -0.342117568450E+03 -0.12686E-03 -0.43787E-04 4372 0.539E-02 0.204E-01 RMM: 7 -0.342117365185E+03 0.20327E-03 -0.14982E-04 3873 0.354E-02 0.114E-01 RMM: 8 -0.342117287558E+03 0.77627E-04 -0.54119E-05 3345 0.215E-02 0.436E-02 RMM: 9 -0.342117318262E+03 -0.30704E-04 -0.31970E-05 2924 0.159E-02 0.777E-02 RMM: 10 -0.342117289253E+03 0.29010E-04 -0.23350E-05 2632 0.156E-02 0.236E-02 RMM: 11 -0.342117288286E+03 0.96706E-06 -0.50653E-06 2438 0.650E-03 122 T= 6012. E= 0.68166208E+03 F= 0.63192280E+03 E0= 0.66110103E+03 EK= 0.49739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343234444656E+03 -0.11172E+01 -0.17062E-01 8076 0.229E+01 0.529E-01 RMM: 2 -0.343239610901E+03 -0.51662E-02 -0.85854E-02 5294 0.651E-01 0.688E-01 RMM: 3 -0.343238066431E+03 0.15445E-02 -0.91384E-03 5366 0.218E-01 0.600E-01 RMM: 4 -0.343238494604E+03 -0.42817E-03 -0.31384E-03 5183 0.144E-01 0.679E-01 RMM: 5 -0.343235468004E+03 0.30266E-02 -0.15636E-03 4611 0.106E-01 0.135E-01 RMM: 6 -0.343235601051E+03 -0.13305E-03 -0.42641E-04 4368 0.525E-02 0.205E-01 RMM: 7 -0.343235367990E+03 0.23306E-03 -0.15196E-04 3875 0.355E-02 0.904E-02 RMM: 8 -0.343235325596E+03 0.42394E-04 -0.37705E-05 3072 0.182E-02 0.479E-02 RMM: 9 -0.343235352304E+03 -0.26707E-04 -0.30989E-05 2853 0.157E-02 0.754E-02 RMM: 10 -0.343235322784E+03 0.29519E-04 -0.23864E-05 2697 0.158E-02 0.186E-02 RMM: 11 -0.343235323805E+03 -0.10206E-05 -0.45574E-06 2435 0.609E-03 123 T= 6054. E= 0.68149303E+03 F= 0.63141346E+03 E0= 0.66060726E+03 EK= 0.50080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344295785300E+03 -0.10605E+01 -0.16954E-01 7992 0.231E+01 0.530E-01 RMM: 2 -0.344299551989E+03 -0.37667E-02 -0.79488E-02 5390 0.632E-01 0.610E-01 RMM: 3 -0.344299257035E+03 0.29495E-03 -0.91035E-03 5346 0.221E-01 0.655E-01 RMM: 4 -0.344298430742E+03 0.82629E-03 -0.27029E-03 5263 0.134E-01 0.586E-01 RMM: 5 -0.344296182914E+03 0.22478E-02 -0.11405E-03 4608 0.892E-02 0.114E-01 RMM: 6 -0.344296349547E+03 -0.16663E-03 -0.38218E-04 4107 0.500E-02 0.203E-01 RMM: 7 -0.344296108271E+03 0.24128E-03 -0.14968E-04 3871 0.360E-02 0.802E-02 RMM: 8 -0.344296078146E+03 0.30125E-04 -0.35815E-05 3042 0.172E-02 0.476E-02 RMM: 9 -0.344296100872E+03 -0.22726E-04 -0.26931E-05 2675 0.151E-02 0.705E-02 RMM: 10 -0.344296073974E+03 0.26898E-04 -0.18814E-05 2557 0.140E-02 0.161E-02 RMM: 11 -0.344296075806E+03 -0.18322E-05 -0.41517E-06 2431 0.582E-03 124 T= 6234. E= 0.68253500E+03 F= 0.63095892E+03 E0= 0.66016564E+03 EK= 0.51576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345258781010E+03 -0.96271E+00 -0.17842E-01 7872 0.236E+01 0.530E-01 RMM: 2 -0.345263598913E+03 -0.48179E-02 -0.85307E-02 5310 0.661E-01 0.668E-01 RMM: 3 -0.345262566587E+03 0.10323E-02 -0.92506E-03 5363 0.220E-01 0.619E-01 RMM: 4 -0.345262456605E+03 0.10998E-03 -0.26499E-03 5255 0.130E-01 0.637E-01 RMM: 5 -0.345259765267E+03 0.26913E-02 -0.13451E-03 4610 0.977E-02 0.127E-01 RMM: 6 -0.345259893069E+03 -0.12780E-03 -0.37661E-04 4129 0.491E-02 0.196E-01 RMM: 7 -0.345259686978E+03 0.20609E-03 -0.13313E-04 3874 0.334E-02 0.964E-02 RMM: 8 -0.345259634683E+03 0.52295E-04 -0.37467E-05 3076 0.177E-02 0.439E-02 RMM: 9 -0.345259660121E+03 -0.25438E-04 -0.30865E-05 2865 0.156E-02 0.732E-02 RMM: 10 -0.345259632064E+03 0.28057E-04 -0.22542E-05 2639 0.155E-02 0.185E-02 RMM: 11 -0.345259632768E+03 -0.70323E-06 -0.42348E-06 2431 0.583E-03 125 T= 6500. E= 0.68436412E+03 F= 0.63059331E+03 E0= 0.65980930E+03 EK= 0.53771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346086117898E+03 -0.82649E+00 -0.18931E-01 7980 0.240E+01 0.523E-01 RMM: 2 -0.346090587447E+03 -0.44695E-02 -0.86881E-02 5294 0.677E-01 0.601E-01 RMM: 3 -0.346090510175E+03 0.77273E-04 -0.10018E-02 5349 0.230E-01 0.657E-01 RMM: 4 -0.346089290903E+03 0.12193E-02 -0.24706E-03 5273 0.127E-01 0.532E-01 RMM: 5 -0.346087394951E+03 0.18960E-02 -0.97570E-04 4609 0.813E-02 0.107E-01 RMM: 6 -0.346087595795E+03 -0.20084E-03 -0.33560E-04 3932 0.464E-02 0.211E-01 RMM: 7 -0.346087330963E+03 0.26483E-03 -0.13899E-04 3863 0.353E-02 0.798E-02 RMM: 8 -0.346087300413E+03 0.30550E-04 -0.36439E-05 3056 0.169E-02 0.471E-02 RMM: 9 -0.346087320576E+03 -0.20163E-04 -0.27994E-05 2732 0.155E-02 0.682E-02 RMM: 10 -0.346087294993E+03 0.25582E-04 -0.19174E-05 2569 0.142E-02 0.143E-02 RMM: 11 -0.346087297715E+03 -0.27214E-05 -0.42305E-06 2431 0.587E-03 126 T= 6760. E= 0.68627390E+03 F= 0.63035327E+03 E0= 0.65957439E+03 EK= 0.55921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346755667805E+03 -0.66837E+00 -0.19803E-01 7764 0.244E+01 0.515E-01 RMM: 2 -0.346760973467E+03 -0.53057E-02 -0.91391E-02 5168 0.705E-01 0.623E-01 RMM: 3 -0.346760461521E+03 0.51195E-03 -0.10398E-02 5377 0.231E-01 0.624E-01 RMM: 4 -0.346759737957E+03 0.72356E-03 -0.25680E-03 5294 0.129E-01 0.564E-01 RMM: 5 -0.346757627746E+03 0.21102E-02 -0.11038E-03 4608 0.871E-02 0.115E-01 RMM: 6 -0.346757800275E+03 -0.17253E-03 -0.37837E-04 4118 0.494E-02 0.204E-01 RMM: 7 -0.346757548381E+03 0.25189E-03 -0.15292E-04 3880 0.359E-02 0.772E-02 RMM: 8 -0.346757521501E+03 0.26880E-04 -0.32389E-05 2961 0.164E-02 0.477E-02 RMM: 9 -0.346757541058E+03 -0.19557E-04 -0.25779E-05 2646 0.145E-02 127 T= 6915. E= 0.68746807E+03 F= 0.63026243E+03 E0= 0.65948526E+03 EK= 0.57206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347276665333E+03 -0.51914E+00 -0.19648E-01 7800 0.244E+01 0.506E-01 RMM: 2 -0.347282768023E+03 -0.61027E-02 -0.97634E-02 5055 0.732E-01 0.607E-01 RMM: 3 -0.347282258311E+03 0.50971E-03 -0.11185E-02 5392 0.235E-01 0.605E-01 RMM: 4 -0.347281844820E+03 0.41349E-03 -0.25680E-03 5304 0.128E-01 0.590E-01 RMM: 5 -0.347279571534E+03 0.22733E-02 -0.12963E-03 4608 0.948E-02 0.133E-01 RMM: 6 -0.347279746642E+03 -0.17511E-03 -0.41677E-04 4293 0.522E-02 0.217E-01 RMM: 7 -0.347279511841E+03 0.23480E-03 -0.15511E-04 3872 0.357E-02 0.110E-01 RMM: 8 -0.347279438153E+03 0.73688E-04 -0.54320E-05 3347 0.210E-02 0.420E-02 RMM: 9 -0.347279470376E+03 -0.32223E-04 -0.28210E-05 2767 0.151E-02 0.755E-02 RMM: 10 -0.347279441188E+03 0.29188E-04 -0.20156E-05 2560 0.146E-02 0.231E-02 RMM: 11 -0.347279440385E+03 0.80337E-06 -0.48731E-06 2438 0.629E-03 128 T= 6903. E= 0.68742209E+03 F= 0.63031689E+03 E0= 0.65953926E+03 EK= 0.57105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347695586111E+03 -0.41614E+00 -0.19061E-01 7788 0.242E+01 0.491E-01 RMM: 2 -0.347703384853E+03 -0.77987E-02 -0.10456E-01 4890 0.768E-01 0.697E-01 RMM: 3 -0.347701321573E+03 0.20633E-02 -0.12184E-02 5419 0.244E-01 0.514E-01 RMM: 4 -0.347702383161E+03 -0.10616E-02 -0.31289E-03 5292 0.145E-01 0.686E-01 RMM: 5 -0.347699314630E+03 0.30685E-02 -0.16594E-03 4622 0.109E-01 0.146E-01 RMM: 6 -0.347699473616E+03 -0.15899E-03 -0.45881E-04 4491 0.542E-02 0.220E-01 RMM: 7 -0.347699191349E+03 0.28227E-03 -0.17491E-04 3885 0.379E-02 0.922E-02 RMM: 8 -0.347699144636E+03 0.46713E-04 -0.35365E-05 3039 0.179E-02 0.438E-02 RMM: 9 -0.347699167141E+03 -0.22505E-04 -0.29816E-05 2738 0.152E-02 0.694E-02 RMM: 10 -0.347699141771E+03 0.25370E-04 -0.21393E-05 2573 0.148E-02 0.182E-02 RMM: 11 -0.347699143211E+03 -0.14404E-05 -0.47975E-06 2432 0.616E-03 129 T= 6733. E= 0.68617717E+03 F= 0.63047669E+03 E0= 0.65969955E+03 EK= 0.55700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348082423823E+03 -0.38328E+00 -0.17883E-01 7764 0.237E+01 0.487E-01 RMM: 2 -0.348087699112E+03 -0.52753E-02 -0.89573E-02 4979 0.723E-01 0.547E-01 RMM: 3 -0.348087630797E+03 0.68315E-04 -0.10320E-02 5395 0.226E-01 0.595E-01 RMM: 4 -0.348087295336E+03 0.33546E-03 -0.29823E-03 5262 0.145E-01 0.588E-01 RMM: 5 -0.348085023594E+03 0.22717E-02 -0.14696E-03 4612 0.101E-01 0.127E-01 RMM: 6 -0.348085250649E+03 -0.22706E-03 -0.45129E-04 4407 0.554E-02 0.233E-01 RMM: 7 -0.348084942057E+03 0.30859E-03 -0.19127E-04 3880 0.404E-02 0.935E-02 RMM: 8 -0.348084894400E+03 0.47657E-04 -0.40264E-05 3115 0.188E-02 0.467E-02 RMM: 9 -0.348084922322E+03 -0.27922E-04 -0.33676E-05 2890 0.162E-02 0.743E-02 RMM: 10 -0.348084895120E+03 0.27202E-04 -0.23611E-05 2642 0.153E-02 0.198E-02 RMM: 11 -0.348084896494E+03 -0.13737E-05 -0.55241E-06 2436 0.690E-03 130 T= 6482. E= 0.68430132E+03 F= 0.63067840E+03 E0= 0.65990549E+03 EK= 0.53623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348504762449E+03 -0.41987E+00 -0.17215E-01 8064 0.232E+01 0.492E-01 RMM: 2 -0.348510190697E+03 -0.54282E-02 -0.85972E-02 5061 0.712E-01 0.635E-01 RMM: 3 -0.348509031839E+03 0.11589E-02 -0.99158E-03 5376 0.223E-01 0.537E-01 RMM: 4 -0.348509749410E+03 -0.71757E-03 -0.30246E-03 5250 0.144E-01 0.666E-01 RMM: 5 -0.348506920056E+03 0.28294E-02 -0.16960E-03 4620 0.111E-01 0.155E-01 RMM: 6 -0.348507074939E+03 -0.15488E-03 -0.46755E-04 4494 0.558E-02 0.226E-01 RMM: 7 -0.348506788976E+03 0.28596E-03 -0.20036E-04 3886 0.413E-02 0.969E-02 RMM: 8 -0.348506737558E+03 0.51418E-04 -0.39376E-05 3084 0.192E-02 0.469E-02 RMM: 9 -0.348506765422E+03 -0.27864E-04 -0.33690E-05 2914 0.160E-02 0.753E-02 RMM: 10 -0.348506738333E+03 0.27089E-04 -0.24563E-05 2663 0.157E-02 0.214E-02 RMM: 11 -0.348506739012E+03 -0.67939E-06 -0.54041E-06 2439 0.675E-03 131 T= 6249. E= 0.68255212E+03 F= 0.63085364E+03 E0= 0.66009153E+03 EK= 0.51698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349013951920E+03 -0.50721E+00 -0.16078E-01 8028 0.229E+01 0.500E-01 RMM: 2 -0.349017730676E+03 -0.37788E-02 -0.72527E-02 5068 0.666E-01 0.621E-01 RMM: 3 -0.349017130717E+03 0.59996E-03 -0.85717E-03 5352 0.214E-01 0.573E-01 RMM: 4 -0.349017441494E+03 -0.31078E-03 -0.30077E-03 5208 0.143E-01 0.644E-01 RMM: 5 -0.349014773289E+03 0.26682E-02 -0.17174E-03 4618 0.111E-01 0.155E-01 RMM: 6 -0.349014901944E+03 -0.12866E-03 -0.39911E-04 4258 0.512E-02 0.219E-01 RMM: 7 -0.349014659541E+03 0.24240E-03 -0.17991E-04 3884 0.400E-02 0.109E-01 RMM: 8 -0.349014588884E+03 0.70657E-04 -0.53026E-05 3313 0.215E-02 0.451E-02 RMM: 9 -0.349014614769E+03 -0.25884E-04 -0.34075E-05 2973 0.165E-02 0.734E-02 RMM: 10 -0.349014589560E+03 0.25209E-04 -0.24282E-05 2692 0.157E-02 0.198E-02 RMM: 11 -0.349014590756E+03 -0.11954E-05 -0.54288E-06 2434 0.689E-03 132 T= 6116. E= 0.68154302E+03 F= 0.63095029E+03 E0= 0.66020766E+03 EK= 0.50593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349625107673E+03 -0.61052E+00 -0.15679E-01 7764 0.228E+01 0.508E-01 RMM: 2 -0.349629398891E+03 -0.42912E-02 -0.79116E-02 5094 0.673E-01 0.620E-01 RMM: 3 -0.349628887816E+03 0.51108E-03 -0.91299E-03 5361 0.215E-01 0.599E-01 RMM: 4 -0.349629010481E+03 -0.12267E-03 -0.28372E-03 5226 0.136E-01 0.647E-01 RMM: 5 -0.349626306976E+03 0.27035E-02 -0.16349E-03 4609 0.108E-01 0.147E-01 RMM: 6 -0.349626426748E+03 -0.11977E-03 -0.38396E-04 4232 0.497E-02 0.208E-01 RMM: 7 -0.349626197749E+03 0.22900E-03 -0.15360E-04 3868 0.369E-02 0.981E-02 RMM: 8 -0.349626142707E+03 0.55042E-04 -0.39630E-05 3107 0.187E-02 0.433E-02 RMM: 9 -0.349626171346E+03 -0.28639E-04 -0.31356E-05 2876 0.157E-02 0.740E-02 RMM: 10 -0.349626143952E+03 0.27394E-04 -0.22013E-05 2613 0.152E-02 0.199E-02 RMM: 11 -0.349626144441E+03 -0.48936E-06 -0.44893E-06 2430 0.608E-03 133 T= 6122. E= 0.68158839E+03 F= 0.63094545E+03 E0= 0.66023228E+03 EK= 0.50643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350324719706E+03 -0.69858E+00 -0.15746E-01 7800 0.229E+01 0.519E-01 RMM: 2 -0.350328510513E+03 -0.37908E-02 -0.71634E-02 5102 0.656E-01 0.687E-01 RMM: 3 -0.350327527505E+03 0.98301E-03 -0.89573E-03 5350 0.219E-01 0.585E-01 RMM: 4 -0.350327959266E+03 -0.43176E-03 -0.28452E-03 5258 0.134E-01 0.667E-01 RMM: 5 -0.350325094288E+03 0.28650E-02 -0.16185E-03 4610 0.107E-01 0.154E-01 RMM: 6 -0.350325137749E+03 -0.43461E-04 -0.35649E-04 4102 0.477E-02 0.184E-01 RMM: 7 -0.350324998683E+03 0.13907E-03 -0.13531E-04 3869 0.342E-02 0.117E-01 RMM: 8 -0.350324914354E+03 0.84329E-04 -0.49991E-05 3281 0.208E-02 0.414E-02 RMM: 9 -0.350324938432E+03 -0.24077E-04 -0.31670E-05 2935 0.158E-02 0.708E-02 RMM: 10 -0.350324915257E+03 0.23175E-04 -0.22464E-05 2629 0.155E-02 0.220E-02 RMM: 11 -0.350324914724E+03 0.53283E-06 -0.48117E-06 2429 0.650E-03 134 T= 6265. E= 0.68267399E+03 F= 0.63084934E+03 E0= 0.66017655E+03 EK= 0.51825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351060519454E+03 -0.73560E+00 -0.16720E-01 8160 0.233E+01 0.526E-01 RMM: 2 -0.351065224307E+03 -0.47049E-02 -0.80177E-02 5161 0.683E-01 0.704E-01 RMM: 3 -0.351064120426E+03 0.11039E-02 -0.93538E-03 5359 0.220E-01 0.605E-01 RMM: 4 -0.351064379955E+03 -0.25953E-03 -0.28245E-03 5252 0.133E-01 0.666E-01 RMM: 5 -0.351061519176E+03 0.28608E-02 -0.15895E-03 4608 0.106E-01 0.141E-01 RMM: 6 -0.351061575943E+03 -0.56767E-04 -0.33341E-04 4036 0.457E-02 0.178E-01 RMM: 7 -0.351061435939E+03 0.14000E-03 -0.11208E-04 3843 0.313E-02 0.109E-01 RMM: 8 -0.351061364304E+03 0.71635E-04 -0.42736E-05 3171 0.189E-02 0.397E-02 RMM: 9 -0.351061393153E+03 -0.28848E-04 -0.31343E-05 2921 0.157E-02 0.740E-02 RMM: 10 -0.351061365001E+03 0.28152E-04 -0.21972E-05 2612 0.155E-02 0.200E-02 RMM: 11 -0.351061364991E+03 0.95097E-08 -0.41419E-06 2430 0.584E-03 135 T= 6498. E= 0.68446210E+03 F= 0.63070656E+03 E0= 0.66008535E+03 EK= 0.53756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351765023754E+03 -0.70366E+00 -0.17148E-01 8628 0.238E+01 0.534E-01 RMM: 2 -0.351769948771E+03 -0.49250E-02 -0.79165E-02 5239 0.687E-01 0.777E-01 RMM: 3 -0.351768204914E+03 0.17439E-02 -0.93699E-03 5359 0.222E-01 0.569E-01 RMM: 4 -0.351768732723E+03 -0.52781E-03 -0.26567E-03 5248 0.125E-01 0.671E-01 RMM: 5 -0.351765851512E+03 0.28812E-02 -0.15907E-03 4605 0.106E-01 0.151E-01 RMM: 6 -0.351765871980E+03 -0.20468E-04 -0.31979E-04 3986 0.447E-02 0.171E-01 RMM: 7 -0.351765762497E+03 0.10948E-03 -0.11175E-04 3819 0.306E-02 0.117E-01 RMM: 8 -0.351765678100E+03 0.84397E-04 -0.49481E-05 3289 0.202E-02 0.405E-02 RMM: 9 -0.351765705652E+03 -0.27552E-04 -0.33400E-05 2965 0.163E-02 0.741E-02 RMM: 10 -0.351765678475E+03 0.27176E-04 -0.21195E-05 2601 0.152E-02 0.241E-02 RMM: 11 -0.351765677145E+03 0.13297E-05 -0.47031E-06 2433 0.635E-03 136 T= 6738. E= 0.68633035E+03 F= 0.63058511E+03 E0= 0.66002643E+03 EK= 0.55745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352359513719E+03 -0.59384E+00 -0.17895E-01 8604 0.242E+01 0.534E-01 RMM: 2 -0.352365402707E+03 -0.58890E-02 -0.85575E-02 5199 0.708E-01 0.803E-01 RMM: 3 -0.352363147403E+03 0.22553E-02 -0.98504E-03 5389 0.227E-01 0.558E-01 RMM: 4 -0.352364021535E+03 -0.87413E-03 -0.28358E-03 5268 0.129E-01 0.695E-01 RMM: 5 -0.352360909237E+03 0.31123E-02 -0.17312E-03 4612 0.112E-01 0.157E-01 RMM: 6 -0.352360901046E+03 0.81908E-05 -0.33609E-04 4051 0.460E-02 0.163E-01 RMM: 7 -0.352360806553E+03 0.94493E-04 -0.10910E-04 3843 0.302E-02 0.116E-01 RMM: 8 -0.352360724224E+03 0.82329E-04 -0.44366E-05 3196 0.194E-02 0.400E-02 RMM: 9 -0.352360755257E+03 -0.31033E-04 -0.33920E-05 2989 0.161E-02 0.776E-02 RMM: 10 -0.352360725311E+03 0.29947E-04 -0.21871E-05 2615 0.154E-02 0.237E-02 RMM: 11 -0.352360723933E+03 0.13773E-05 -0.45298E-06 2436 0.612E-03 137 T= 6888. E= 0.68754888E+03 F= 0.63056404E+03 E0= 0.66007726E+03 EK= 0.56985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352779578150E+03 -0.41885E+00 -0.18500E-01 8484 0.243E+01 0.523E-01 RMM: 2 -0.352785230126E+03 -0.56520E-02 -0.87195E-02 5148 0.708E-01 0.732E-01 RMM: 3 -0.352783626343E+03 0.16038E-02 -0.99431E-03 5400 0.228E-01 0.565E-01 RMM: 4 -0.352784031126E+03 -0.40478E-03 -0.26106E-03 5298 0.125E-01 0.657E-01 RMM: 5 -0.352781288840E+03 0.27423E-02 -0.14803E-03 4605 0.103E-01 0.149E-01 RMM: 6 -0.352781321587E+03 -0.32747E-04 -0.33193E-04 4018 0.458E-02 0.174E-01 RMM: 7 -0.352781204193E+03 0.11739E-03 -0.11643E-04 3859 0.315E-02 0.118E-01 RMM: 8 -0.352781119029E+03 0.85164E-04 -0.47736E-05 3267 0.199E-02 0.394E-02 RMM: 9 -0.352781149050E+03 -0.30020E-04 -0.33448E-05 2964 0.162E-02 0.755E-02 RMM: 10 -0.352781118679E+03 0.30371E-04 -0.22996E-05 2664 0.158E-02 0.166E-02 RMM: 11 -0.352781120275E+03 -0.15959E-05 -0.50982E-06 2432 0.657E-03 138 T= 6879. E= 0.68761765E+03 F= 0.63071349E+03 E0= 0.66030536E+03 EK= 0.56904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352991751771E+03 -0.21063E+00 -0.18488E-01 8508 0.242E+01 0.509E-01 RMM: 2 -0.352997332213E+03 -0.55804E-02 -0.82778E-02 5014 0.684E-01 0.720E-01 RMM: 3 -0.352995403723E+03 0.19285E-02 -0.92983E-03 5399 0.221E-01 0.535E-01 RMM: 4 -0.352996185833E+03 -0.78211E-03 -0.29638E-03 5262 0.139E-01 0.668E-01 RMM: 5 -0.352993291326E+03 0.28945E-02 -0.16465E-03 4612 0.110E-01 0.147E-01 RMM: 6 -0.352993343043E+03 -0.51717E-04 -0.36092E-04 4145 0.483E-02 0.181E-01 RMM: 7 -0.352993214717E+03 0.12833E-03 -0.13080E-04 3865 0.337E-02 0.121E-01 RMM: 8 -0.352993124574E+03 0.90143E-04 -0.50348E-05 3281 0.207E-02 0.388E-02 RMM: 9 -0.352993156600E+03 -0.32025E-04 -0.32380E-05 2961 0.158E-02 0.775E-02 RMM: 10 -0.352993127484E+03 0.29116E-04 -0.21537E-05 2579 0.151E-02 0.224E-02 RMM: 11 -0.352993126413E+03 0.10711E-05 -0.43565E-06 2432 0.592E-03 139 T= 6708. E= 0.68656850E+03 F= 0.63107291E+03 E0= 0.66074684E+03 EK= 0.55496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352994277130E+03 -0.11496E-02 -0.18566E-01 8244 0.238E+01 0.495E-01 RMM: 2 -0.352999815887E+03 -0.55388E-02 -0.86202E-02 4940 0.690E-01 0.641E-01 RMM: 3 -0.352998538331E+03 0.12776E-02 -0.98753E-03 5400 0.229E-01 0.547E-01 RMM: 4 -0.352998754625E+03 -0.21629E-03 -0.28746E-03 5283 0.139E-01 0.615E-01 RMM: 5 -0.352996344311E+03 0.24103E-02 -0.14515E-03 4610 0.102E-01 0.140E-01 RMM: 6 -0.352996461031E+03 -0.11672E-03 -0.37674E-04 4186 0.497E-02 0.204E-01 RMM: 7 -0.352996229692E+03 0.23134E-03 -0.16258E-04 3872 0.381E-02 0.820E-02 RMM: 8 -0.352996197989E+03 0.31703E-04 -0.29161E-05 2859 0.165E-02 0.467E-02 RMM: 9 -0.352996224993E+03 -0.27004E-04 -0.30811E-05 2831 0.156E-02 0.738E-02 RMM: 10 -0.352996197265E+03 0.27728E-04 -0.22515E-05 2638 0.151E-02 0.154E-02 RMM: 11 -0.352996199081E+03 -0.18162E-05 -0.42832E-06 2429 0.601E-03 140 T= 6445. E= 0.68496421E+03 F= 0.63164715E+03 E0= 0.66140278E+03 EK= 0.53317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352814036768E+03 0.18216E+00 -0.17835E-01 8076 0.234E+01 0.481E-01 RMM: 2 -0.352818424304E+03 -0.43875E-02 -0.79781E-02 5021 0.657E-01 0.538E-01 RMM: 3 -0.352818320825E+03 0.10348E-03 -0.91469E-03 5364 0.223E-01 0.605E-01 RMM: 4 -0.352817876576E+03 0.44425E-03 -0.27870E-03 5270 0.139E-01 0.583E-01 RMM: 5 -0.352815711959E+03 0.21646E-02 -0.13232E-03 4612 0.966E-02 0.128E-01 RMM: 6 -0.352815846705E+03 -0.13475E-03 -0.39502E-04 4260 0.527E-02 0.201E-01 RMM: 7 -0.352815609886E+03 0.23682E-03 -0.17800E-04 3880 0.395E-02 0.775E-02 RMM: 8 -0.352815584045E+03 0.25841E-04 -0.27901E-05 2818 0.162E-02 0.475E-02 RMM: 9 -0.352815608549E+03 -0.24504E-04 -0.28950E-05 2657 0.151E-02 0.705E-02 RMM: 10 -0.352815583898E+03 0.24651E-04 -0.20545E-05 2599 0.141E-02 0.171E-02 RMM: 11 -0.352815585225E+03 -0.13262E-05 -0.43960E-06 2428 0.631E-03 141 T= 6186. E= 0.68359063E+03 F= 0.63241202E+03 E0= 0.66224551E+03 EK= 0.51179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352486276252E+03 0.32931E+00 -0.17188E-01 7992 0.231E+01 0.475E-01 RMM: 2 -0.352491173826E+03 -0.48976E-02 -0.79238E-02 5034 0.652E-01 0.593E-01 RMM: 3 -0.352490103266E+03 0.10706E-02 -0.86401E-03 5375 0.213E-01 0.533E-01 RMM: 4 -0.352490667399E+03 -0.56413E-03 -0.29574E-03 5215 0.145E-01 0.643E-01 RMM: 5 -0.352488016349E+03 0.26510E-02 -0.14542E-03 4611 0.102E-01 0.135E-01 RMM: 6 -0.352488151555E+03 -0.13521E-03 -0.41735E-04 4373 0.530E-02 0.210E-01 RMM: 7 -0.352487926354E+03 0.22520E-03 -0.19482E-04 3873 0.417E-02 0.101E-01 RMM: 8 -0.352487869718E+03 0.56635E-04 -0.37167E-05 3060 0.187E-02 0.439E-02 RMM: 9 -0.352487896552E+03 -0.26833E-04 -0.34689E-05 2892 0.166E-02 0.723E-02 RMM: 10 -0.352487872012E+03 0.24540E-04 -0.22829E-05 2602 0.148E-02 0.191E-02 RMM: 11 -0.352487872800E+03 -0.78854E-06 -0.49622E-06 2431 0.662E-03 142 T= 6019. E= 0.68312097E+03 F= 0.63332792E+03 E0= 0.66323283E+03 EK= 0.49793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352046664239E+03 0.44121E+00 -0.16621E-01 7800 0.230E+01 0.466E-01 RMM: 2 -0.352050749024E+03 -0.40848E-02 -0.72100E-02 5143 0.616E-01 0.557E-01 RMM: 3 -0.352050176709E+03 0.57232E-03 -0.75256E-03 5360 0.199E-01 0.570E-01 RMM: 4 -0.352050562530E+03 -0.38582E-03 -0.28985E-03 5160 0.143E-01 0.646E-01 RMM: 5 -0.352047876193E+03 0.26863E-02 -0.14985E-03 4619 0.103E-01 0.119E-01 RMM: 6 -0.352048032101E+03 -0.15591E-03 -0.38636E-04 4208 0.516E-02 0.204E-01 RMM: 7 -0.352047810556E+03 0.22154E-03 -0.16954E-04 3872 0.393E-02 0.968E-02 RMM: 8 -0.352047758346E+03 0.52210E-04 -0.37245E-05 3063 0.182E-02 0.422E-02 RMM: 9 -0.352047783426E+03 -0.25080E-04 -0.31832E-05 2781 0.161E-02 0.695E-02 RMM: 10 -0.352047760773E+03 0.22653E-04 -0.21092E-05 2563 0.141E-02 0.181E-02 RMM: 11 -0.352047761534E+03 -0.76151E-06 -0.44476E-06 2430 0.631E-03 143 T= 5995. E= 0.68394723E+03 F= 0.63435381E+03 E0= 0.66432168E+03 EK= 0.49593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351525302077E+03 0.52246E+00 -0.16551E-01 7740 0.231E+01 0.463E-01 RMM: 2 -0.351529236472E+03 -0.39344E-02 -0.71011E-02 5137 0.613E-01 0.551E-01 RMM: 3 -0.351528766906E+03 0.46957E-03 -0.80614E-03 5366 0.204E-01 0.551E-01 RMM: 4 -0.351528606542E+03 0.16036E-03 -0.24522E-03 5191 0.130E-01 0.564E-01 RMM: 5 -0.351526571163E+03 0.20354E-02 -0.10773E-03 4607 0.874E-02 0.121E-01 RMM: 6 -0.351526665884E+03 -0.94721E-04 -0.34113E-04 4027 0.480E-02 0.179E-01 RMM: 7 -0.351526475978E+03 0.18991E-03 -0.16154E-04 3873 0.388E-02 0.697E-02 RMM: 8 -0.351526456266E+03 0.19712E-04 -0.26567E-05 2805 0.157E-02 144 T= 6128. E= 0.68614423E+03 F= 0.63545080E+03 E0= 0.66547203E+03 EK= 0.50693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350952542904E+03 0.57393E+00 -0.16827E-01 7704 0.234E+01 0.511E-01 RMM: 2 -0.350965910482E+03 -0.13368E-01 -0.74510E-02 5210 0.630E-01 0.131E+00 RMM: 3 -0.350954738058E+03 0.11172E-01 -0.94974E-03 5375 0.227E-01 0.398E-01 RMM: 4 -0.350956978359E+03 -0.22403E-02 -0.39847E-03 5116 0.156E-01 0.718E-01 RMM: 5 -0.350953903241E+03 0.30751E-02 -0.18103E-03 4627 0.116E-01 0.253E-01 RMM: 6 -0.350953533048E+03 0.37019E-03 -0.43520E-04 4282 0.546E-02 0.111E-01 RMM: 7 -0.350953663189E+03 -0.13014E-03 -0.16279E-04 3874 0.347E-02 0.181E-01 RMM: 8 -0.350953454324E+03 0.20886E-03 -0.93294E-05 3734 0.289E-02 0.431E-02 RMM: 9 -0.350953471247E+03 -0.16923E-04 -0.29692E-05 2920 0.154E-02 145 T= 6391. E= 0.68945056E+03 F= 0.63658295E+03 E0= 0.66664498E+03 EK= 0.52868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350364621832E+03 0.58883E+00 -0.17155E-01 7620 0.239E+01 0.489E-01 RMM: 2 -0.350383179256E+03 -0.18557E-01 -0.79801E-02 5185 0.679E-01 0.156E+00 RMM: 3 -0.350367375319E+03 0.15804E-01 -0.11612E-02 5352 0.257E-01 0.367E-01 RMM: 4 -0.350368972885E+03 -0.15976E-02 -0.36770E-03 5213 0.147E-01 0.631E-01 RMM: 5 -0.350366506955E+03 0.24659E-02 -0.15772E-03 4609 0.109E-01 0.194E-01 RMM: 6 -0.350366329693E+03 0.17726E-03 -0.25849E-04 3896 0.415E-02 0.116E-01 RMM: 7 -0.350366370389E+03 -0.40695E-04 -0.14812E-04 3878 0.341E-02 0.143E-01 RMM: 8 -0.350366241754E+03 0.12864E-03 -0.73449E-05 3531 0.254E-02 0.407E-02 RMM: 9 -0.350366242295E+03 -0.54190E-06 -0.17430E-05 2540 0.120E-02 146 T= 6712. E= 0.69323623E+03 F= 0.63770979E+03 E0= 0.66780048E+03 EK= 0.55526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349817174975E+03 0.54907E+00 -0.17540E-01 7740 0.243E+01 0.487E-01 RMM: 2 -0.349831755539E+03 -0.14581E-01 -0.85808E-02 5152 0.682E-01 0.129E+00 RMM: 3 -0.349820710779E+03 0.11045E-01 -0.10440E-02 5358 0.233E-01 0.366E-01 RMM: 4 -0.349822703549E+03 -0.19928E-02 -0.37789E-03 5145 0.151E-01 0.672E-01 RMM: 5 -0.349819942218E+03 0.27613E-02 -0.16167E-03 4615 0.109E-01 0.221E-01 RMM: 6 -0.349819673567E+03 0.26865E-03 -0.30953E-04 3944 0.453E-02 0.107E-01 RMM: 7 -0.349819758752E+03 -0.85185E-04 -0.15301E-04 3881 0.339E-02 0.160E-01 RMM: 8 -0.349819597404E+03 0.16135E-03 -0.83494E-05 3607 0.268E-02 0.405E-02 RMM: 9 -0.349819606526E+03 -0.91217E-05 -0.22565E-05 2661 0.137E-02 147 T= 6985. E= 0.69656585E+03 F= 0.63877785E+03 E0= 0.66888431E+03 EK= 0.57788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349381644848E+03 0.43795E+00 -0.17575E-01 7680 0.246E+01 0.472E-01 RMM: 2 -0.349393838273E+03 -0.12193E-01 -0.82974E-02 5186 0.688E-01 0.119E+00 RMM: 3 -0.349385040701E+03 0.87976E-02 -0.10166E-02 5367 0.232E-01 0.369E-01 RMM: 4 -0.349386820620E+03 -0.17799E-02 -0.33451E-03 5269 0.143E-01 0.643E-01 RMM: 5 -0.349384222225E+03 0.25984E-02 -0.15479E-03 4610 0.107E-01 0.203E-01 RMM: 6 -0.349384005621E+03 0.21660E-03 -0.28831E-04 3934 0.438E-02 0.106E-01 RMM: 7 -0.349384068406E+03 -0.62785E-04 -0.14615E-04 3890 0.337E-02 0.145E-01 RMM: 8 -0.349383935030E+03 0.13338E-03 -0.72434E-05 3536 0.252E-02 0.428E-02 RMM: 9 -0.349383939743E+03 -0.47134E-05 -0.21157E-05 2595 0.132E-02 148 T= 7105. E= 0.69850290E+03 F= 0.63972200E+03 E0= 0.66983423E+03 EK= 0.58781E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349133721702E+03 0.25021E+00 -0.17734E-01 7728 0.245E+01 0.478E-01 RMM: 2 -0.349150745806E+03 -0.17024E-01 -0.93988E-02 5124 0.728E-01 0.140E+00 RMM: 3 -0.349138102961E+03 0.12643E-01 -0.11553E-02 5379 0.246E-01 0.354E-01 RMM: 4 -0.349139744276E+03 -0.16413E-02 -0.36521E-03 5235 0.148E-01 0.626E-01 RMM: 5 -0.349137525500E+03 0.22188E-02 -0.15065E-03 4615 0.105E-01 0.265E-01 RMM: 6 -0.349137105887E+03 0.41961E-03 -0.39614E-04 4196 0.517E-02 0.106E-01 RMM: 7 -0.349137181295E+03 -0.75408E-04 -0.18795E-04 3888 0.379E-02 0.153E-01 RMM: 8 -0.349137035383E+03 0.14591E-03 -0.89950E-05 3666 0.283E-02 0.469E-02 RMM: 9 -0.349137036362E+03 -0.97910E-06 -0.21628E-05 2620 0.136E-02 149 T= 7025. E= 0.69858445E+03 F= 0.64047195E+03 E0= 0.67058227E+03 EK= 0.58112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349144385342E+03 -0.73500E-02 -0.16685E-01 7908 0.241E+01 0.470E-01 RMM: 2 -0.349161101222E+03 -0.16716E-01 -0.83804E-02 5202 0.687E-01 0.142E+00 RMM: 3 -0.349147851262E+03 0.13250E-01 -0.10433E-02 5360 0.237E-01 0.340E-01 RMM: 4 -0.349149571843E+03 -0.17206E-02 -0.35888E-03 5235 0.149E-01 0.632E-01 RMM: 5 -0.349147292062E+03 0.22798E-02 -0.16784E-03 4619 0.113E-01 0.256E-01 RMM: 6 -0.349146916619E+03 0.37544E-03 -0.36868E-04 4062 0.500E-02 0.110E-01 RMM: 7 -0.349146967275E+03 -0.50656E-04 -0.19600E-04 3898 0.406E-02 0.146E-01 RMM: 8 -0.349146837312E+03 0.12996E-03 -0.78165E-05 3571 0.266E-02 0.463E-02 RMM: 9 -0.349146843916E+03 -0.66037E-05 -0.21507E-05 2586 0.135E-02 150 T= 6784. E= 0.69709118E+03 F= 0.64096723E+03 E0= 0.67107339E+03 EK= 0.56124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349449684165E+03 -0.30285E+00 -0.16244E-01 7740 0.236E+01 0.470E-01 RMM: 2 -0.349465489825E+03 -0.15806E-01 -0.93569E-02 5104 0.723E-01 0.132E+00 RMM: 3 -0.349454205967E+03 0.11284E-01 -0.11361E-02 5383 0.241E-01 0.369E-01 RMM: 4 -0.349455352072E+03 -0.11461E-02 -0.34185E-03 5241 0.143E-01 0.581E-01 RMM: 5 -0.349453562444E+03 0.17896E-02 -0.17739E-03 4626 0.116E-01 0.278E-01 RMM: 6 -0.349453119672E+03 0.44277E-03 -0.44431E-04 4322 0.553E-02 0.117E-01 RMM: 7 -0.349453175398E+03 -0.55726E-04 -0.21770E-04 3899 0.420E-02 0.155E-01 RMM: 8 -0.349453029166E+03 0.14623E-03 -0.98238E-05 3706 0.296E-02 0.508E-02 RMM: 9 -0.349453029353E+03 -0.18647E-06 -0.23835E-05 2696 0.146E-02 151 T= 6488. E= 0.69484270E+03 F= 0.64117347E+03 E0= 0.67127615E+03 EK= 0.53669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350051697607E+03 -0.59867E+00 -0.15264E-01 7944 0.231E+01 0.473E-01 RMM: 2 -0.350068005411E+03 -0.16308E-01 -0.74507E-02 5176 0.644E-01 0.144E+00 RMM: 3 -0.350054301504E+03 0.13704E-01 -0.97277E-03 5368 0.231E-01 0.341E-01 RMM: 4 -0.350056237028E+03 -0.19355E-02 -0.37568E-03 5092 0.153E-01 0.658E-01 RMM: 5 -0.350053731162E+03 0.25059E-02 -0.18026E-03 4636 0.117E-01 0.254E-01 RMM: 6 -0.350053368861E+03 0.36230E-03 -0.39667E-04 4234 0.514E-02 0.115E-01 RMM: 7 -0.350053374115E+03 -0.52537E-05 -0.20439E-04 3896 0.424E-02 0.129E-01 RMM: 8 -0.350053274645E+03 0.99469E-04 -0.68943E-05 3495 0.253E-02 0.432E-02 RMM: 9 -0.350053292386E+03 -0.17740E-04 -0.22259E-05 2603 0.138E-02 152 T= 6242. E= 0.69273573E+03 F= 0.64109469E+03 E0= 0.67119789E+03 EK= 0.51641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350902703166E+03 -0.84943E+00 -0.15390E-01 7884 0.229E+01 0.471E-01 RMM: 2 -0.350915481424E+03 -0.12778E-01 -0.79547E-02 5038 0.663E-01 0.123E+00 RMM: 3 -0.350906021336E+03 0.94601E-02 -0.10147E-02 5378 0.228E-01 0.377E-01 RMM: 4 -0.350907490557E+03 -0.14692E-02 -0.36385E-03 5211 0.149E-01 0.617E-01 RMM: 5 -0.350905231707E+03 0.22589E-02 -0.17860E-03 4624 0.116E-01 0.240E-01 RMM: 6 -0.350904902959E+03 0.32875E-03 -0.37939E-04 4110 0.506E-02 0.112E-01 RMM: 7 -0.350904949019E+03 -0.46059E-04 -0.18330E-04 3899 0.394E-02 0.145E-01 RMM: 8 -0.350904820079E+03 0.12894E-03 -0.78300E-05 3598 0.265E-02 0.460E-02 RMM: 9 -0.350904824584E+03 -0.45054E-05 -0.23335E-05 2683 0.142E-02 153 T= 6121. E= 0.69140604E+03 F= 0.64077171E+03 E0= 0.67088003E+03 EK= 0.50634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351929455532E+03 -0.10246E+01 -0.15684E-01 7704 0.229E+01 0.492E-01 RMM: 2 -0.351943265693E+03 -0.13810E-01 -0.69996E-02 5131 0.619E-01 0.135E+00 RMM: 3 -0.351931325318E+03 0.11940E-01 -0.95717E-03 5351 0.228E-01 0.349E-01 RMM: 4 -0.351933740901E+03 -0.24156E-02 -0.38917E-03 4986 0.156E-01 0.717E-01 RMM: 5 -0.351930628618E+03 0.31123E-02 -0.17051E-03 4610 0.112E-01 0.213E-01 RMM: 6 -0.351930389882E+03 0.23874E-03 -0.32060E-04 3957 0.454E-02 0.110E-01 RMM: 7 -0.351930396248E+03 -0.63666E-05 -0.13677E-04 3880 0.346E-02 154 T= 6147. E= 0.69112763E+03 F= 0.64027709E+03 E0= 0.67039417E+03 EK= 0.50851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353028115463E+03 -0.10977E+01 -0.15817E-01 8112 0.231E+01 0.520E-01 RMM: 2 -0.353035788458E+03 -0.76730E-02 -0.64074E-02 5257 0.587E-01 0.105E+00 RMM: 3 -0.353029550668E+03 0.62378E-02 -0.77265E-03 5360 0.203E-01 0.452E-01 RMM: 4 -0.353031664562E+03 -0.21139E-02 -0.40450E-03 4886 0.160E-01 0.733E-01 RMM: 5 -0.353028182777E+03 0.34818E-02 -0.20492E-03 4608 0.121E-01 0.163E-01 RMM: 6 -0.353028137535E+03 0.45241E-04 -0.31349E-04 3951 0.445E-02 0.153E-01 RMM: 7 -0.353028080751E+03 0.56784E-04 -0.15134E-04 3878 0.361E-02 0.126E-01 RMM: 8 -0.353027987371E+03 0.93380E-04 -0.73130E-05 3527 0.248E-02 0.466E-02 RMM: 9 -0.353028019208E+03 -0.31838E-04 -0.31568E-05 2913 0.158E-02 0.790E-02 RMM: 10 -0.353027995254E+03 0.23954E-04 -0.21407E-05 2568 0.152E-02 0.355E-02 RMM: 11 -0.353027989107E+03 0.61472E-05 -0.60758E-06 2444 0.751E-03 155 T= 6300. E= 0.69182913E+03 F= 0.63970746E+03 E0= 0.66983776E+03 EK= 0.52122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354082025962E+03 -0.10540E+01 -0.16612E-01 8052 0.236E+01 0.449E-01 RMM: 2 -0.354089691360E+03 -0.76654E-02 -0.72694E-02 5160 0.628E-01 0.917E-01 RMM: 3 -0.354084861571E+03 0.48298E-02 -0.85889E-03 5370 0.209E-01 0.420E-01 RMM: 4 -0.354086262988E+03 -0.14014E-02 -0.29587E-03 5088 0.135E-01 0.628E-01 RMM: 5 -0.354083818399E+03 0.24446E-02 -0.13187E-03 4613 0.970E-02 0.196E-01 RMM: 6 -0.354083584506E+03 0.23389E-03 -0.24849E-04 3910 0.406E-02 0.741E-02 RMM: 7 -0.354083621750E+03 -0.37244E-04 -0.79181E-05 3595 0.246E-02 0.111E-01 RMM: 8 -0.354083541038E+03 0.80712E-04 -0.40007E-05 3116 0.198E-02 0.295E-02 RMM: 9 -0.354083543407E+03 -0.23684E-05 -0.14328E-05 2497 0.107E-02 156 T= 6522. E= 0.69313030E+03 F= 0.63917292E+03 E0= 0.66931662E+03 EK= 0.53957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354987691349E+03 -0.90415E+00 -0.17345E-01 8100 0.240E+01 0.500E-01 RMM: 2 -0.354992359201E+03 -0.46679E-02 -0.62137E-02 5393 0.571E-01 0.817E-01 RMM: 3 -0.354989496048E+03 0.28632E-02 -0.70860E-03 5343 0.194E-01 0.520E-01 RMM: 4 -0.354990914552E+03 -0.14185E-02 -0.26794E-03 4945 0.129E-01 0.708E-01 RMM: 5 -0.354987650832E+03 0.32637E-02 -0.14513E-03 4608 0.101E-01 0.118E-01 RMM: 6 -0.354987693752E+03 -0.42920E-04 -0.26389E-04 3902 0.404E-02 0.155E-01 RMM: 7 -0.354987602539E+03 0.91212E-04 -0.10388E-04 3779 0.296E-02 0.107E-01 RMM: 8 -0.354987537116E+03 0.65424E-04 -0.46777E-05 3242 0.198E-02 0.431E-02 RMM: 9 -0.354987557956E+03 -0.20841E-04 -0.30933E-05 2888 0.157E-02 0.668E-02 RMM: 10 -0.354987538653E+03 0.19303E-04 -0.19183E-05 2560 0.145E-02 157 T= 6726. E= 0.69442515E+03 F= 0.63878173E+03 E0= 0.66893768E+03 EK= 0.55643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355658531235E+03 -0.67097E+00 -0.18030E-01 7956 0.243E+01 0.470E-01 RMM: 2 -0.355664831791E+03 -0.63006E-02 -0.67681E-02 5364 0.600E-01 0.881E-01 RMM: 3 -0.355660742103E+03 0.40897E-02 -0.72483E-03 5384 0.191E-01 0.441E-01 RMM: 4 -0.355662029258E+03 -0.12872E-02 -0.28419E-03 5042 0.133E-01 0.635E-01 RMM: 5 -0.355659437863E+03 0.25914E-02 -0.14127E-03 4608 0.101E-01 0.146E-01 RMM: 6 -0.355659376791E+03 0.61072E-04 -0.23394E-04 3890 0.384E-02 0.120E-01 RMM: 7 -0.355659347703E+03 0.29088E-04 -0.84124E-05 3645 0.265E-02 0.105E-01 RMM: 8 -0.355659281621E+03 0.66082E-04 -0.40593E-05 3139 0.190E-02 0.353E-02 RMM: 9 -0.355659301442E+03 -0.19821E-04 -0.22616E-05 2613 0.132E-02 158 T= 6827. E= 0.69509228E+03 F= 0.63861626E+03 E0= 0.66878238E+03 EK= 0.56476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356064821530E+03 -0.40554E+00 -0.18290E-01 7764 0.243E+01 0.453E-01 RMM: 2 -0.356069087165E+03 -0.42656E-02 -0.62454E-02 5412 0.560E-01 0.684E-01 RMM: 3 -0.356067089795E+03 0.19974E-02 -0.56248E-03 5371 0.169E-01 0.479E-01 RMM: 4 -0.356067831540E+03 -0.74174E-03 -0.23260E-03 4884 0.124E-01 0.601E-01 RMM: 5 -0.356065481284E+03 0.23503E-02 -0.11741E-03 4609 0.909E-02 0.120E-01 RMM: 6 -0.356065526388E+03 -0.45104E-04 -0.29537E-04 3916 0.435E-02 0.155E-01 RMM: 7 -0.356065410814E+03 0.11557E-03 -0.11891E-04 3860 0.332E-02 0.872E-02 RMM: 8 -0.356065368409E+03 0.42404E-04 -0.30797E-05 2951 0.165E-02 0.385E-02 RMM: 9 -0.356065388712E+03 -0.20303E-04 -0.22927E-05 2596 0.135E-02 0.643E-02 RMM: 10 -0.356065370743E+03 0.17969E-04 -0.16932E-05 2517 0.133E-02 159 T= 6780. E= 0.69480208E+03 F= 0.63871361E+03 E0= 0.66888655E+03 EK= 0.56088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356224555960E+03 -0.15917E+00 -0.18420E-01 7644 0.241E+01 0.428E-01 RMM: 2 -0.356230044302E+03 -0.54883E-02 -0.67168E-02 5301 0.585E-01 0.708E-01 RMM: 3 -0.356227363586E+03 0.26807E-02 -0.62677E-03 5370 0.175E-01 0.421E-01 RMM: 4 -0.356228315894E+03 -0.95231E-03 -0.26716E-03 5005 0.133E-01 0.591E-01 RMM: 5 -0.356226094918E+03 0.22210E-02 -0.13791E-03 4612 0.996E-02 0.140E-01 RMM: 6 -0.356226133096E+03 -0.38178E-04 -0.28225E-04 3923 0.430E-02 0.165E-01 RMM: 7 -0.356226028474E+03 0.10462E-03 -0.13183E-04 3880 0.340E-02 0.112E-01 RMM: 8 -0.356225951481E+03 0.76993E-04 -0.54470E-05 3344 0.216E-02 0.398E-02 RMM: 9 -0.356225963563E+03 -0.12082E-04 -0.18843E-05 2547 0.125E-02 160 T= 6606. E= 0.69371011E+03 F= 0.63905752E+03 E0= 0.66923592E+03 EK= 0.54653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356200506257E+03 0.25445E-01 -0.18177E-01 8028 0.236E+01 0.424E-01 RMM: 2 -0.356205775943E+03 -0.52697E-02 -0.65500E-02 5309 0.577E-01 0.680E-01 RMM: 3 -0.356203238072E+03 0.25379E-02 -0.61129E-03 5377 0.177E-01 0.399E-01 RMM: 4 -0.356204393134E+03 -0.11551E-02 -0.22991E-03 4902 0.125E-01 0.611E-01 RMM: 5 -0.356202024487E+03 0.23686E-02 -0.11278E-03 4606 0.893E-02 0.112E-01 RMM: 6 -0.356202182108E+03 -0.15762E-03 -0.38933E-04 4164 0.513E-02 0.200E-01 RMM: 7 -0.356201962217E+03 0.21989E-03 -0.16308E-04 3872 0.379E-02 0.808E-02 RMM: 8 -0.356201930191E+03 0.32026E-04 -0.29430E-05 2874 0.163E-02 0.439E-02 RMM: 9 -0.356201951667E+03 -0.21476E-04 -0.24334E-05 2607 0.140E-02 0.655E-02 RMM: 10 -0.356201932853E+03 0.18814E-04 -0.18980E-05 2555 0.136E-02 161 T= 6379. E= 0.69236321E+03 F= 0.63958956E+03 E0= 0.66977274E+03 EK= 0.52774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356066103873E+03 0.13585E+00 -0.17935E-01 7956 0.232E+01 0.404E-01 RMM: 2 -0.356072183058E+03 -0.60792E-02 -0.72520E-02 5132 0.616E-01 0.665E-01 RMM: 3 -0.356069714369E+03 0.24687E-02 -0.73571E-03 5419 0.189E-01 0.388E-01 RMM: 4 -0.356070675725E+03 -0.96136E-03 -0.24286E-03 5109 0.127E-01 0.571E-01 RMM: 5 -0.356068686530E+03 0.19892E-02 -0.14079E-03 4608 0.102E-01 0.186E-01 RMM: 6 -0.356068621339E+03 0.65190E-04 -0.37667E-04 4044 0.503E-02 0.162E-01 RMM: 7 -0.356068544459E+03 0.76881E-04 -0.17652E-04 3880 0.397E-02 0.127E-01 RMM: 8 -0.356068445064E+03 0.99395E-04 -0.58543E-05 3406 0.230E-02 0.428E-02 RMM: 9 -0.356068451223E+03 -0.61592E-05 -0.21564E-05 2582 0.135E-02 162 T= 6186. E= 0.69140904E+03 F= 0.64023431E+03 E0= 0.67042498E+03 EK= 0.51175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355889940005E+03 0.17851E+00 -0.17430E-01 7884 0.229E+01 0.418E-01 RMM: 2 -0.355895662077E+03 -0.57221E-02 -0.65607E-02 5208 0.575E-01 0.717E-01 RMM: 3 -0.355892679114E+03 0.29830E-02 -0.61051E-03 5402 0.175E-01 0.383E-01 RMM: 4 -0.355893799152E+03 -0.11200E-02 -0.25535E-03 5075 0.131E-01 0.591E-01 RMM: 5 -0.355891604604E+03 0.21945E-02 -0.13149E-03 4608 0.972E-02 0.138E-01 RMM: 6 -0.355891675569E+03 -0.70965E-04 -0.35230E-04 3992 0.485E-02 0.179E-01 RMM: 7 -0.355891548321E+03 0.12725E-03 -0.14660E-04 3857 0.368E-02 0.116E-01 RMM: 8 -0.355891466634E+03 0.81687E-04 -0.44829E-05 3205 0.197E-02 0.370E-02 RMM: 9 -0.355891488533E+03 -0.21899E-04 -0.24818E-05 2700 0.141E-02 0.651E-02 RMM: 10 -0.355891474325E+03 0.14208E-04 -0.18693E-05 2532 0.135E-02 163 T= 6094. E= 0.69133951E+03 F= 0.64092273E+03 E0= 0.67112311E+03 EK= 0.50417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355710570152E+03 0.18092E+00 -0.17634E-01 7896 0.228E+01 0.409E-01 RMM: 2 -0.355719528772E+03 -0.89586E-02 -0.78065E-02 4970 0.635E-01 0.885E-01 RMM: 3 -0.355714404829E+03 0.51239E-02 -0.80869E-03 5419 0.194E-01 0.318E-01 RMM: 4 -0.355715716245E+03 -0.13114E-02 -0.28921E-03 5120 0.139E-01 0.578E-01 RMM: 5 -0.355713637613E+03 0.20786E-02 -0.13712E-03 4609 0.998E-02 0.157E-01 RMM: 6 -0.355713641601E+03 -0.39881E-05 -0.31061E-04 3933 0.453E-02 0.163E-01 RMM: 7 -0.355713550201E+03 0.91400E-04 -0.13070E-04 3872 0.345E-02 0.120E-01 RMM: 8 -0.355713460657E+03 0.89545E-04 -0.48399E-05 3278 0.204E-02 0.353E-02 RMM: 9 -0.355713478929E+03 -0.18272E-04 -0.20106E-05 2566 0.130E-02 164 T= 6137. E= 0.69237580E+03 F= 0.64160736E+03 E0= 0.67182113E+03 EK= 0.50768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355547814025E+03 0.16565E+00 -0.17232E-01 7932 0.230E+01 0.418E-01 RMM: 2 -0.355553051107E+03 -0.52371E-02 -0.67551E-02 5087 0.580E-01 0.629E-01 RMM: 3 -0.355551116179E+03 0.19349E-02 -0.67659E-03 5394 0.183E-01 0.438E-01 RMM: 4 -0.355551729610E+03 -0.61343E-03 -0.23505E-03 5157 0.123E-01 0.553E-01 RMM: 5 -0.355549795541E+03 0.19341E-02 -0.12233E-03 4607 0.933E-02 0.151E-01 RMM: 6 -0.355549744698E+03 0.50843E-04 -0.29172E-04 3957 0.441E-02 0.131E-01 RMM: 7 -0.355549708786E+03 0.35912E-04 -0.99535E-05 3777 0.300E-02 0.113E-01 RMM: 8 -0.355549631229E+03 0.77557E-04 -0.33641E-05 3034 0.175E-02 0.325E-02 RMM: 9 -0.355549653393E+03 -0.22164E-04 -0.21361E-05 2584 0.129E-02 0.627E-02 RMM: 10 -0.355549638355E+03 0.15038E-04 -0.15166E-05 2509 0.125E-02 165 T= 6306. E= 0.69443561E+03 F= 0.64226794E+03 E0= 0.67249725E+03 EK= 0.52168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355387977358E+03 0.16168E+00 -0.18487E-01 7884 0.234E+01 0.419E-01 RMM: 2 -0.355395866824E+03 -0.78895E-02 -0.89020E-02 4963 0.666E-01 0.710E-01 RMM: 3 -0.355393038768E+03 0.28281E-02 -0.90709E-03 5417 0.203E-01 0.404E-01 RMM: 4 -0.355394031685E+03 -0.99292E-03 -0.23515E-03 5144 0.119E-01 0.586E-01 RMM: 5 -0.355391876470E+03 0.21552E-02 -0.12601E-03 4604 0.945E-02 0.158E-01 RMM: 6 -0.355391801879E+03 0.74591E-04 -0.24695E-04 3913 0.399E-02 0.122E-01 RMM: 7 -0.355391795655E+03 0.62240E-05 -0.10127E-04 3816 0.283E-02 166 T= 6553. E= 0.69712190E+03 F= 0.64290921E+03 E0= 0.67315495E+03 EK= 0.54213E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355213794215E+03 0.17801E+00 -0.19327E-01 8340 0.238E+01 0.460E-01 RMM: 2 -0.355221949543E+03 -0.81553E-02 -0.83475E-02 5144 0.649E-01 0.832E-01 RMM: 3 -0.355217881201E+03 0.40683E-02 -0.87198E-03 5407 0.204E-01 0.407E-01 RMM: 4 -0.355219183308E+03 -0.13021E-02 -0.28937E-03 5183 0.133E-01 0.622E-01 RMM: 5 -0.355216728626E+03 0.24547E-02 -0.14603E-03 4610 0.102E-01 0.173E-01 RMM: 6 -0.355216633075E+03 0.95550E-04 -0.30648E-04 3949 0.445E-02 0.134E-01 RMM: 7 -0.355216644168E+03 -0.11093E-04 -0.12427E-04 3883 0.312E-02 167 T= 6794. E= 0.69976262E+03 F= 0.64355397E+03 E0= 0.67381594E+03 EK= 0.56209E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354993077289E+03 0.22356E+00 -0.21113E-01 8268 0.242E+01 0.426E-01 RMM: 2 -0.355003355470E+03 -0.10278E-01 -0.99464E-02 5091 0.692E-01 0.848E-01 RMM: 3 -0.354998742873E+03 0.46126E-02 -0.10583E-02 5388 0.225E-01 0.372E-01 RMM: 4 -0.354999777441E+03 -0.10346E-02 -0.23449E-03 5170 0.117E-01 0.554E-01 RMM: 5 -0.354997849406E+03 0.19280E-02 -0.10305E-03 4613 0.855E-02 0.164E-01 RMM: 6 -0.354997726746E+03 0.12266E-03 -0.25676E-04 3914 0.400E-02 0.103E-01 RMM: 7 -0.354997749697E+03 -0.22952E-04 -0.92900E-05 3700 0.273E-02 0.120E-01 RMM: 8 -0.354997664391E+03 0.85306E-04 -0.40499E-05 3152 0.192E-02 0.391E-02 RMM: 9 -0.354997673627E+03 -0.92360E-05 -0.20298E-05 2548 0.126E-02 168 T= 6935. E= 0.70160055E+03 F= 0.64423124E+03 E0= 0.67450729E+03 EK= 0.57369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354711733865E+03 0.28593E+00 -0.21808E-01 8592 0.242E+01 0.412E-01 RMM: 2 -0.354725396409E+03 -0.13663E-01 -0.10710E-01 5059 0.712E-01 0.106E+00 RMM: 3 -0.354717851682E+03 0.75447E-02 -0.10398E-02 5410 0.224E-01 0.311E-01 RMM: 4 -0.354719679071E+03 -0.18274E-02 -0.26000E-03 5182 0.122E-01 0.641E-01 RMM: 5 -0.354717165326E+03 0.25137E-02 -0.12193E-03 4601 0.937E-02 0.143E-01 RMM: 6 -0.354717090914E+03 0.74411E-04 -0.26712E-04 3905 0.413E-02 0.107E-01 RMM: 7 -0.354717092186E+03 -0.12714E-05 -0.80874E-05 3608 0.261E-02 169 T= 6912. E= 0.70214505E+03 F= 0.64496346E+03 E0= 0.67525075E+03 EK= 0.57182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354370697548E+03 0.34639E+00 -0.20985E-01 8592 0.241E+01 0.448E-01 RMM: 2 -0.354383073996E+03 -0.12376E-01 -0.10158E-01 5245 0.685E-01 0.101E+00 RMM: 3 -0.354376062672E+03 0.70113E-02 -0.90659E-03 5389 0.213E-01 0.358E-01 RMM: 4 -0.354377753698E+03 -0.16910E-02 -0.29895E-03 5261 0.134E-01 0.635E-01 RMM: 5 -0.354375251039E+03 0.25027E-02 -0.14127E-03 4604 0.100E-01 0.202E-01 RMM: 6 -0.354375086347E+03 0.16469E-03 -0.37392E-04 4124 0.490E-02 0.134E-01 RMM: 7 -0.354375106160E+03 -0.19813E-04 -0.13314E-04 3872 0.325E-02 170 T= 6734. E= 0.70146086E+03 F= 0.64575552E+03 E0= 0.67605167E+03 EK= 0.55705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353984408411E+03 0.39068E+00 -0.21052E-01 8568 0.237E+01 0.428E-01 RMM: 2 -0.353999057992E+03 -0.14650E-01 -0.10658E-01 5215 0.696E-01 0.113E+00 RMM: 3 -0.353990358094E+03 0.86999E-02 -0.93463E-03 5398 0.214E-01 0.324E-01 RMM: 4 -0.353992014300E+03 -0.16562E-02 -0.29264E-03 5139 0.132E-01 0.619E-01 RMM: 5 -0.353989756982E+03 0.22573E-02 -0.13649E-03 4610 0.990E-02 0.205E-01 RMM: 6 -0.353989580921E+03 0.17606E-03 -0.36927E-04 4047 0.488E-02 0.130E-01 RMM: 7 -0.353989608714E+03 -0.27792E-04 -0.13410E-04 3868 0.337E-02 0.143E-01 RMM: 8 -0.353989484212E+03 0.12450E-03 -0.56030E-05 3376 0.221E-02 0.410E-02 RMM: 9 -0.353989499583E+03 -0.15371E-04 -0.27617E-05 2831 0.148E-02 171 T= 6472. E= 0.70013487E+03 F= 0.64659341E+03 E0= 0.67689736E+03 EK= 0.53541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353582617929E+03 0.40687E+00 -0.20647E-01 8760 0.232E+01 0.387E-01 RMM: 2 -0.353598265309E+03 -0.15647E-01 -0.10095E-01 5307 0.671E-01 0.118E+00 RMM: 3 -0.353588358373E+03 0.99069E-02 -0.86668E-03 5368 0.210E-01 0.304E-01 RMM: 4 -0.353589432133E+03 -0.10738E-02 -0.26607E-03 5150 0.126E-01 0.522E-01 RMM: 5 -0.353587882601E+03 0.15495E-02 -0.12266E-03 4609 0.946E-02 0.222E-01 RMM: 6 -0.353587607623E+03 0.27498E-03 -0.35448E-04 4008 0.486E-02 0.929E-02 RMM: 7 -0.353587684710E+03 -0.77087E-04 -0.10518E-04 3749 0.290E-02 0.146E-01 RMM: 8 -0.353587550008E+03 0.13470E-03 -0.48307E-05 3306 0.211E-02 0.325E-02 RMM: 9 -0.353587549225E+03 0.78367E-06 -0.11310E-05 2487 0.955E-03 172 T= 6225. E= 0.69895147E+03 F= 0.64745103E+03 E0= 0.67776233E+03 EK= 0.51500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353189593129E+03 0.39796E+00 -0.19583E-01 8844 0.228E+01 0.430E-01 RMM: 2 -0.353203580168E+03 -0.13987E-01 -0.94549E-02 5368 0.655E-01 0.116E+00 RMM: 3 -0.353194331682E+03 0.92485E-02 -0.80388E-03 5386 0.200E-01 0.309E-01 RMM: 4 -0.353195814327E+03 -0.14826E-02 -0.30329E-03 5011 0.136E-01 0.590E-01 RMM: 5 -0.353193769285E+03 0.20450E-02 -0.13592E-03 4609 0.986E-02 0.211E-01 RMM: 6 -0.353193572862E+03 0.19642E-03 -0.31229E-04 3937 0.444E-02 0.132E-01 RMM: 7 -0.353193569606E+03 0.32559E-05 -0.14773E-04 3876 0.356E-02 173 T= 6075. E= 0.69856241E+03 F= 0.64830211E+03 E0= 0.67862010E+03 EK= 0.50260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352818695338E+03 0.37488E+00 -0.19304E-01 8844 0.227E+01 0.426E-01 RMM: 2 -0.352829552932E+03 -0.10858E-01 -0.91633E-02 5454 0.628E-01 0.925E-01 RMM: 3 -0.352823589677E+03 0.59633E-02 -0.71624E-03 5352 0.191E-01 0.370E-01 RMM: 4 -0.352824934378E+03 -0.13447E-02 -0.28323E-03 5002 0.132E-01 0.596E-01 RMM: 5 -0.352822841806E+03 0.20926E-02 -0.14198E-03 4614 0.101E-01 0.219E-01 RMM: 6 -0.352822614304E+03 0.22750E-03 -0.33544E-04 3973 0.464E-02 0.122E-01 RMM: 7 -0.352822636248E+03 -0.21945E-04 -0.14893E-04 3879 0.351E-02 0.138E-01 RMM: 8 -0.352822526340E+03 0.10991E-03 -0.69645E-05 3490 0.245E-02 0.442E-02 RMM: 9 -0.352822551407E+03 -0.25067E-04 -0.27588E-05 2830 0.146E-02 0.706E-02 RMM: 10 -0.352822540758E+03 0.10650E-04 -0.19355E-05 2543 0.142E-02 174 T= 6068. E= 0.69932736E+03 F= 0.64912735E+03 E0= 0.67945271E+03 EK= 0.50200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352474448206E+03 0.34810E+00 -0.19181E-01 8784 0.228E+01 0.364E-01 RMM: 2 -0.352485580724E+03 -0.11133E-01 -0.95239E-02 5278 0.651E-01 0.886E-01 RMM: 3 -0.352479895023E+03 0.56857E-02 -0.79376E-03 5403 0.194E-01 0.280E-01 RMM: 4 -0.352480912426E+03 -0.10174E-02 -0.20880E-03 4900 0.111E-01 0.501E-01 RMM: 5 -0.352479429592E+03 0.14828E-02 -0.90896E-04 4598 0.803E-02 0.183E-01 RMM: 6 -0.352479238838E+03 0.19075E-03 -0.23255E-04 3909 0.388E-02 0.816E-02 RMM: 7 -0.352479293354E+03 -0.54516E-04 -0.82123E-05 3588 0.252E-02 0.125E-01 RMM: 8 -0.352479192244E+03 0.10111E-03 -0.40880E-05 3172 0.197E-02 0.240E-02 RMM: 9 -0.352479194481E+03 -0.22374E-05 -0.89589E-06 2470 0.825E-03 175 T= 6209. E= 0.70128017E+03 F= 0.64991688E+03 E0= 0.68024993E+03 EK= 0.51363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352154459545E+03 0.32473E+00 -0.19639E-01 8976 0.232E+01 0.414E-01 RMM: 2 -0.352164959798E+03 -0.10500E-01 -0.90534E-02 5521 0.625E-01 0.904E-01 RMM: 3 -0.352159133714E+03 0.58261E-02 -0.62730E-03 5378 0.173E-01 0.316E-01 RMM: 4 -0.352160281179E+03 -0.11475E-02 -0.22552E-03 4819 0.117E-01 0.541E-01 RMM: 5 -0.352158402084E+03 0.18791E-02 -0.10863E-03 4601 0.863E-02 0.145E-01 RMM: 6 -0.352158369812E+03 0.32272E-04 -0.27224E-04 3909 0.413E-02 0.133E-01 RMM: 7 -0.352158352433E+03 0.17379E-04 -0.90838E-05 3674 0.276E-02 176 T= 6461. E= 0.70411785E+03 F= 0.65067183E+03 E0= 0.68101236E+03 EK= 0.53446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351843811668E+03 0.31456E+00 -0.20928E-01 8664 0.236E+01 0.416E-01 RMM: 2 -0.351857357898E+03 -0.13546E-01 -0.12098E-01 5151 0.752E-01 0.921E-01 RMM: 3 -0.351851620051E+03 0.57378E-02 -0.10964E-02 5533 0.220E-01 0.357E-01 RMM: 4 -0.351852796735E+03 -0.11767E-02 -0.25962E-03 5090 0.123E-01 0.573E-01 RMM: 5 -0.351850772132E+03 0.20246E-02 -0.11320E-03 4592 0.874E-02 0.170E-01 RMM: 6 -0.351850676728E+03 0.95404E-04 -0.25310E-04 3887 0.400E-02 0.129E-01 RMM: 7 -0.351850677060E+03 -0.33218E-06 -0.11472E-04 3841 0.293E-02 177 T= 6745. E= 0.70719914E+03 F= 0.65140000E+03 E0= 0.68174852E+03 EK= 0.55799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351544151308E+03 0.30653E+00 -0.20814E-01 8784 0.240E+01 0.394E-01 RMM: 2 -0.351558560623E+03 -0.14409E-01 -0.10949E-01 5443 0.703E-01 0.105E+00 RMM: 3 -0.351550676237E+03 0.78844E-02 -0.84037E-03 5399 0.201E-01 0.303E-01 RMM: 4 -0.351551959157E+03 -0.12829E-02 -0.23950E-03 4932 0.117E-01 0.551E-01 RMM: 5 -0.351550122401E+03 0.18368E-02 -0.10643E-03 4595 0.856E-02 0.178E-01 RMM: 6 -0.351549962112E+03 0.16029E-03 -0.26725E-04 3906 0.415E-02 0.935E-02 RMM: 7 -0.351550021828E+03 -0.59716E-04 -0.89195E-05 3668 0.262E-02 0.132E-01 RMM: 8 -0.351549913212E+03 0.10862E-03 -0.44026E-05 3199 0.200E-02 0.390E-02 RMM: 9 -0.351549917099E+03 -0.38869E-05 -0.19367E-05 2544 0.124E-02 178 T= 6958. E= 0.70966802E+03 F= 0.65210919E+03 E0= 0.68246791E+03 EK= 0.57559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351255139160E+03 0.29477E+00 -0.21172E-01 8616 0.243E+01 0.373E-01 RMM: 2 -0.351270231628E+03 -0.15092E-01 -0.12251E-01 5271 0.742E-01 0.990E-01 RMM: 3 -0.351262924709E+03 0.73069E-02 -0.10001E-02 5442 0.218E-01 0.269E-01 RMM: 4 -0.351264149938E+03 -0.12252E-02 -0.20280E-03 5031 0.108E-01 0.530E-01 RMM: 5 -0.351262344914E+03 0.18050E-02 -0.85203E-04 4601 0.770E-02 0.117E-01 RMM: 6 -0.351262349072E+03 -0.41582E-05 -0.20204E-04 3890 0.354E-02 0.127E-01 RMM: 7 -0.351262316159E+03 0.32913E-04 -0.74443E-05 3546 0.245E-02 0.108E-01 RMM: 8 -0.351262241242E+03 0.74917E-04 -0.42957E-05 3183 0.195E-02 0.293E-02 RMM: 9 -0.351262246985E+03 -0.57433E-05 -0.12959E-05 2492 0.102E-02 179 T= 7010. E= 0.71079270E+03 F= 0.65279730E+03 E0= 0.68316808E+03 EK= 0.57995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351005009293E+03 0.25723E+00 -0.20067E-01 8736 0.242E+01 0.383E-01 RMM: 2 -0.351018623093E+03 -0.13614E-01 -0.10692E-01 5367 0.691E-01 0.985E-01 RMM: 3 -0.351011391753E+03 0.72313E-02 -0.82049E-03 5409 0.202E-01 0.311E-01 RMM: 4 -0.351012354732E+03 -0.96298E-03 -0.23974E-03 5102 0.119E-01 0.512E-01 RMM: 5 -0.351010788576E+03 0.15662E-02 -0.10531E-03 4604 0.869E-02 0.182E-01 RMM: 6 -0.351010632230E+03 0.15635E-03 -0.21751E-04 3878 0.374E-02 0.106E-01 RMM: 7 -0.351010656910E+03 -0.24680E-04 -0.10104E-04 3817 0.277E-02 0.125E-01 RMM: 8 -0.351010561396E+03 0.95514E-04 -0.49606E-05 3291 0.208E-02 0.342E-02 RMM: 9 -0.351010575257E+03 -0.13861E-04 -0.19951E-05 2548 0.126E-02 180 T= 6881. E= 0.71036826E+03 F= 0.65344660E+03 E0= 0.68383337E+03 EK= 0.56922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350828100655E+03 0.18246E+00 -0.18987E-01 8556 0.238E+01 0.363E-01 RMM: 2 -0.350841298190E+03 -0.13198E-01 -0.10469E-01 5346 0.684E-01 0.949E-01 RMM: 3 -0.350834210213E+03 0.70880E-02 -0.82008E-03 5452 0.201E-01 0.263E-01 RMM: 4 -0.350835273319E+03 -0.10631E-02 -0.20814E-03 5045 0.112E-01 0.504E-01 RMM: 5 -0.350833736779E+03 0.15365E-02 -0.92573E-04 4605 0.816E-02 0.164E-01 RMM: 6 -0.350833667698E+03 0.69081E-04 -0.26905E-04 3894 0.418E-02 0.134E-01 RMM: 7 -0.350833674463E+03 -0.67656E-05 -0.11685E-04 3854 0.309E-02 181 T= 6626. E= 0.70884038E+03 F= 0.65402298E+03 E0= 0.68442981E+03 EK= 0.54817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350772010576E+03 0.61657E-01 -0.17674E-01 8604 0.234E+01 0.384E-01 RMM: 2 -0.350784665664E+03 -0.12655E-01 -0.99706E-02 5390 0.673E-01 0.966E-01 RMM: 3 -0.350777787362E+03 0.68783E-02 -0.77903E-03 5388 0.198E-01 0.309E-01 RMM: 4 -0.350778891160E+03 -0.11038E-02 -0.22542E-03 5074 0.116E-01 0.542E-01 RMM: 5 -0.350777201341E+03 0.16898E-02 -0.12297E-03 4609 0.955E-02 0.201E-01 RMM: 6 -0.350777074922E+03 0.12642E-03 -0.37882E-04 4054 0.498E-02 0.148E-01 RMM: 7 -0.350777086396E+03 -0.11474E-04 -0.16174E-04 3877 0.366E-02 182 T= 6351. E= 0.70702586E+03 F= 0.65448346E+03 E0= 0.68491547E+03 EK= 0.52542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350877590508E+03 -0.10052E+00 -0.16665E-01 8448 0.230E+01 0.377E-01 RMM: 2 -0.350890177039E+03 -0.12587E-01 -0.91042E-02 5318 0.670E-01 0.103E+00 RMM: 3 -0.350882846920E+03 0.73301E-02 -0.83770E-03 5390 0.207E-01 0.306E-01 RMM: 4 -0.350883559389E+03 -0.71247E-03 -0.20647E-03 4944 0.111E-01 0.464E-01 RMM: 5 -0.350882439692E+03 0.11197E-02 -0.10004E-03 4603 0.850E-02 0.248E-01 RMM: 6 -0.350882107992E+03 0.33170E-03 -0.41022E-04 4131 0.521E-02 0.112E-01 RMM: 7 -0.350882204081E+03 -0.96089E-04 -0.15089E-04 3874 0.348E-02 0.165E-01 RMM: 8 -0.350882036693E+03 0.16739E-03 -0.61851E-05 3439 0.237E-02 0.467E-02 RMM: 9 -0.350882037116E+03 -0.42326E-06 -0.21157E-05 2587 0.129E-02 183 T= 6154. E= 0.70569942E+03 F= 0.65478660E+03 E0= 0.68524824E+03 EK= 0.50913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351176356535E+03 -0.29432E+00 -0.15998E-01 8388 0.228E+01 0.341E-01 RMM: 2 -0.351190793106E+03 -0.14437E-01 -0.80561E-02 5314 0.621E-01 0.120E+00 RMM: 3 -0.351180995728E+03 0.97974E-02 -0.73230E-03 5385 0.193E-01 0.239E-01 RMM: 4 -0.351181936167E+03 -0.94044E-03 -0.19274E-03 4845 0.106E-01 0.473E-01 RMM: 5 -0.351180641226E+03 0.12949E-02 -0.88412E-04 4585 0.808E-02 0.174E-01 RMM: 6 -0.351180501067E+03 0.14016E-03 -0.25568E-04 3911 0.413E-02 0.103E-01 RMM: 7 -0.351180555040E+03 -0.53974E-04 -0.99371E-05 3765 0.280E-02 0.141E-01 RMM: 8 -0.351180429938E+03 0.12510E-03 -0.51169E-05 3300 0.214E-02 0.316E-02 RMM: 9 -0.351180428285E+03 0.16535E-05 -0.10401E-05 2479 0.920E-03 184 T= 6098. E= 0.70534407E+03 F= 0.65489768E+03 E0= 0.68539232E+03 EK= 0.50446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351685541013E+03 -0.50511E+00 -0.16165E-01 8148 0.229E+01 0.410E-01 RMM: 2 -0.351701529508E+03 -0.15988E-01 -0.77921E-02 5264 0.642E-01 0.137E+00 RMM: 3 -0.351689336894E+03 0.12193E-01 -0.86619E-03 5368 0.216E-01 0.306E-01 RMM: 4 -0.351690116994E+03 -0.78010E-03 -0.26504E-03 5146 0.125E-01 0.481E-01 RMM: 5 -0.351688790969E+03 0.13260E-02 -0.10683E-03 4604 0.881E-02 0.213E-01 RMM: 6 -0.351688576751E+03 0.21422E-03 -0.25501E-04 3896 0.411E-02 0.119E-01 RMM: 7 -0.351688630667E+03 -0.53915E-04 -0.15456E-04 3884 0.342E-02 0.151E-01 RMM: 8 -0.351688486707E+03 0.14396E-03 -0.77622E-05 3561 0.258E-02 0.399E-02 RMM: 9 -0.351688493585E+03 -0.68782E-05 -0.19951E-05 2573 0.126E-02 185 T= 6200. E= 0.70608703E+03 F= 0.65479630E+03 E0= 0.68532590E+03 EK= 0.51291E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352404360910E+03 -0.71587E+00 -0.16203E-01 8208 0.232E+01 0.378E-01 RMM: 2 -0.352418602531E+03 -0.14242E-01 -0.69178E-02 5286 0.602E-01 0.129E+00 RMM: 3 -0.352407802560E+03 0.10800E-01 -0.74741E-03 5388 0.199E-01 0.283E-01 RMM: 4 -0.352408710663E+03 -0.90810E-03 -0.22483E-03 4968 0.114E-01 0.481E-01 RMM: 5 -0.352407455874E+03 0.12548E-02 -0.92515E-04 4608 0.827E-02 0.218E-01 RMM: 6 -0.352407169091E+03 0.28678E-03 -0.23158E-04 3892 0.393E-02 0.809E-02 RMM: 7 -0.352407261764E+03 -0.92672E-04 -0.12228E-04 3860 0.296E-02 0.144E-01 RMM: 8 -0.352407136273E+03 0.12549E-03 -0.56412E-05 3375 0.226E-02 0.412E-02 RMM: 9 -0.352407133030E+03 0.32434E-05 -0.13500E-05 2500 0.104E-02 186 T= 6433. E= 0.70769254E+03 F= 0.65447775E+03 E0= 0.68504361E+03 EK= 0.53215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353316762229E+03 -0.90963E+00 -0.16711E-01 8172 0.236E+01 0.393E-01 RMM: 2 -0.353328756322E+03 -0.11994E-01 -0.68692E-02 5303 0.609E-01 0.118E+00 RMM: 3 -0.353320036528E+03 0.87198E-02 -0.75451E-03 5377 0.200E-01 0.315E-01 RMM: 4 -0.353320952809E+03 -0.91628E-03 -0.24096E-03 5021 0.119E-01 0.497E-01 RMM: 5 -0.353319536011E+03 0.14168E-02 -0.90563E-04 4588 0.800E-02 0.215E-01 RMM: 6 -0.353319277926E+03 0.25808E-03 -0.21889E-04 3892 0.380E-02 0.875E-02 RMM: 7 -0.353319344344E+03 -0.66418E-04 -0.11581E-04 3856 0.286E-02 0.134E-01 RMM: 8 -0.353319233417E+03 0.11093E-03 -0.56697E-05 3389 0.224E-02 0.420E-02 RMM: 9 -0.353319230599E+03 0.28183E-05 -0.16055E-05 2516 0.113E-02 187 T= 6722. E= 0.70956582E+03 F= 0.65395728E+03 E0= 0.68455931E+03 EK= 0.55609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354387308836E+03 -0.10681E+01 -0.17328E-01 7908 0.241E+01 0.394E-01 RMM: 2 -0.354402093203E+03 -0.14784E-01 -0.75643E-02 5224 0.643E-01 0.131E+00 RMM: 3 -0.354391206403E+03 0.10887E-01 -0.87607E-03 5365 0.213E-01 0.290E-01 RMM: 4 -0.354392281454E+03 -0.10751E-02 -0.24242E-03 5103 0.117E-01 0.508E-01 RMM: 5 -0.354390853747E+03 0.14277E-02 -0.88450E-04 4607 0.796E-02 0.222E-01 RMM: 6 -0.354390544068E+03 0.30968E-03 -0.21511E-04 3886 0.377E-02 0.694E-02 RMM: 7 -0.354390622972E+03 -0.78905E-04 -0.10861E-04 3770 0.276E-02 0.133E-01 RMM: 8 -0.354390518421E+03 0.10455E-03 -0.50484E-05 3299 0.216E-02 0.398E-02 RMM: 9 -0.354390515532E+03 0.28886E-05 -0.12901E-05 2494 0.101E-02 188 T= 6961. E= 0.71085338E+03 F= 0.65327008E+03 E0= 0.68390806E+03 EK= 0.57583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355571370092E+03 -0.11809E+01 -0.17851E-01 7932 0.243E+01 0.383E-01 RMM: 2 -0.355582877803E+03 -0.11508E-01 -0.77112E-02 5198 0.641E-01 0.108E+00 RMM: 3 -0.355575556960E+03 0.73208E-02 -0.82485E-03 5368 0.205E-01 0.314E-01 RMM: 4 -0.355576512933E+03 -0.95597E-03 -0.23299E-03 5021 0.117E-01 0.499E-01 RMM: 5 -0.355575125296E+03 0.13876E-02 -0.89880E-04 4579 0.794E-02 0.225E-01 RMM: 6 -0.355574824409E+03 0.30089E-03 -0.22265E-04 3890 0.384E-02 0.753E-02 RMM: 7 -0.355574895707E+03 -0.71298E-04 -0.10953E-04 3824 0.281E-02 0.129E-01 RMM: 8 -0.355574793315E+03 0.10239E-03 -0.51746E-05 3320 0.215E-02 0.400E-02 RMM: 9 -0.355574792218E+03 0.10974E-05 -0.15034E-05 2509 0.110E-02 189 T= 7047. E= 0.71076259E+03 F= 0.65246586E+03 E0= 0.68313926E+03 EK= 0.58297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356819280011E+03 -0.12445E+01 -0.18042E-01 7824 0.242E+01 0.384E-01 RMM: 2 -0.356833099976E+03 -0.13820E-01 -0.78512E-02 5186 0.646E-01 0.122E+00 RMM: 3 -0.356823462208E+03 0.96378E-02 -0.84984E-03 5353 0.209E-01 0.284E-01 RMM: 4 -0.356824633317E+03 -0.11711E-02 -0.23569E-03 5111 0.117E-01 0.516E-01 RMM: 5 -0.356823108426E+03 0.15249E-02 -0.91940E-04 4605 0.812E-02 0.210E-01 RMM: 6 -0.356822844416E+03 0.26401E-03 -0.22137E-04 3884 0.382E-02 0.778E-02 RMM: 7 -0.356822919547E+03 -0.75131E-04 -0.10995E-04 3812 0.287E-02 0.134E-01 RMM: 8 -0.356822810832E+03 0.10872E-03 -0.49959E-05 3290 0.214E-02 0.367E-02 RMM: 9 -0.356822812796E+03 -0.19634E-05 -0.13730E-05 2497 0.104E-02 190 T= 6939. E= 0.70900202E+03 F= 0.65159889E+03 E0= 0.68230733E+03 EK= 0.57403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358090656783E+03 -0.12678E+01 -0.17984E-01 8100 0.238E+01 0.370E-01 RMM: 2 -0.358101493167E+03 -0.10836E-01 -0.76552E-02 5177 0.627E-01 0.101E+00 RMM: 3 -0.358094895168E+03 0.65980E-02 -0.78908E-03 5361 0.200E-01 0.306E-01 RMM: 4 -0.358095880405E+03 -0.98524E-03 -0.22448E-03 5028 0.115E-01 0.502E-01 RMM: 5 -0.358094520738E+03 0.13597E-02 -0.97053E-04 4603 0.831E-02 0.231E-01 RMM: 6 -0.358094207021E+03 0.31372E-03 -0.26962E-04 3905 0.425E-02 0.841E-02 RMM: 7 -0.358094281613E+03 -0.74592E-04 -0.12311E-04 3846 0.310E-02 0.136E-01 RMM: 8 -0.358094166183E+03 0.11543E-03 -0.57713E-05 3391 0.227E-02 0.370E-02 RMM: 9 -0.358094169056E+03 -0.28724E-05 -0.17465E-05 2531 0.121E-02 191 T= 6681. E= 0.70598388E+03 F= 0.65071447E+03 E0= 0.68145721E+03 EK= 0.55269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359361708995E+03 -0.12675E+01 -0.17575E-01 8184 0.233E+01 0.363E-01 RMM: 2 -0.359373620341E+03 -0.11911E-01 -0.80125E-02 5174 0.632E-01 0.106E+00 RMM: 3 -0.359366166268E+03 0.74541E-02 -0.79255E-03 5374 0.198E-01 0.272E-01 RMM: 4 -0.359367340763E+03 -0.11745E-02 -0.23867E-03 5029 0.121E-01 0.519E-01 RMM: 5 -0.359365737660E+03 0.16031E-02 -0.10788E-03 4600 0.888E-02 0.165E-01 RMM: 6 -0.359365620595E+03 0.11706E-03 -0.20395E-04 3881 0.363E-02 0.105E-01 RMM: 7 -0.359365624739E+03 -0.41434E-05 -0.11162E-04 3836 0.313E-02 192 T= 6375. E= 0.70258062E+03 F= 0.64983896E+03 E0= 0.68061461E+03 EK= 0.52742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360628023285E+03 -0.12624E+01 -0.17351E-01 8364 0.227E+01 0.400E-01 RMM: 2 -0.360637945386E+03 -0.99221E-02 -0.78595E-02 5275 0.617E-01 0.952E-01 RMM: 3 -0.360632038935E+03 0.59065E-02 -0.73384E-03 5375 0.189E-01 0.312E-01 RMM: 4 -0.360633597970E+03 -0.15590E-02 -0.27144E-03 4925 0.132E-01 0.595E-01 RMM: 5 -0.360631518547E+03 0.20794E-02 -0.12283E-03 4608 0.935E-02 0.198E-01 RMM: 6 -0.360631346096E+03 0.17245E-03 -0.29597E-04 3923 0.434E-02 0.124E-01 RMM: 7 -0.360631341261E+03 0.48344E-05 -0.15977E-04 3880 0.380E-02 193 T= 6128. E= 0.69967286E+03 F= 0.64897842E+03 E0= 0.67978318E+03 EK= 0.50694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361888507062E+03 -0.12572E+01 -0.17159E-01 8616 0.223E+01 0.382E-01 RMM: 2 -0.361899535150E+03 -0.11028E-01 -0.80944E-02 5254 0.616E-01 0.100E+00 RMM: 3 -0.361892881127E+03 0.66540E-02 -0.77183E-03 5390 0.196E-01 0.320E-01 RMM: 4 -0.361894003329E+03 -0.11222E-02 -0.25318E-03 4985 0.124E-01 0.524E-01 RMM: 5 -0.361892417316E+03 0.15860E-02 -0.11525E-03 4603 0.908E-02 0.217E-01 RMM: 6 -0.361892163454E+03 0.25386E-03 -0.30230E-04 3933 0.447E-02 0.977E-02 RMM: 7 -0.361892251449E+03 -0.87994E-04 -0.13403E-04 3874 0.321E-02 0.153E-01 RMM: 8 -0.361892115285E+03 0.13616E-03 -0.68982E-05 3511 0.246E-02 0.470E-02 RMM: 9 -0.361892115726E+03 -0.44123E-06 -0.19471E-05 2557 0.126E-02 194 T= 6011. E= 0.69785307E+03 F= 0.64812929E+03 E0= 0.67895951E+03 EK= 0.49724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363145944103E+03 -0.12538E+01 -0.17426E-01 8688 0.222E+01 0.359E-01 RMM: 2 -0.363160341735E+03 -0.14398E-01 -0.89908E-02 5254 0.631E-01 0.116E+00 RMM: 3 -0.363151018008E+03 0.93237E-02 -0.86621E-03 5383 0.205E-01 0.233E-01 RMM: 4 -0.363152531132E+03 -0.15131E-02 -0.21101E-03 4872 0.110E-01 0.553E-01 RMM: 5 -0.363150688139E+03 0.18430E-02 -0.86084E-04 4604 0.778E-02 0.146E-01 RMM: 6 -0.363150592860E+03 0.95279E-04 -0.18676E-04 3883 0.343E-02 0.924E-02 RMM: 7 -0.363150612862E+03 -0.20002E-04 -0.82894E-05 3625 0.259E-02 0.111E-01 RMM: 8 -0.363150536959E+03 0.75903E-04 -0.40102E-05 3142 0.194E-02 0.267E-02 RMM: 9 -0.363150540152E+03 -0.31928E-05 -0.96765E-06 2476 0.860E-03 195 T= 6052. E= 0.69735181E+03 F= 0.64728413E+03 E0= 0.67813226E+03 EK= 0.50068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364397116069E+03 -0.12466E+01 -0.17966E-01 8508 0.223E+01 0.412E-01 RMM: 2 -0.364412082046E+03 -0.14966E-01 -0.10191E-01 5280 0.679E-01 0.118E+00 RMM: 3 -0.364402803802E+03 0.92782E-02 -0.10562E-02 5404 0.227E-01 0.329E-01 RMM: 4 -0.364403984150E+03 -0.11803E-02 -0.27897E-03 5034 0.127E-01 0.547E-01 RMM: 5 -0.364402215583E+03 0.17686E-02 -0.10741E-03 4602 0.858E-02 0.200E-01 RMM: 6 -0.364402002538E+03 0.21305E-03 -0.21356E-04 3885 0.370E-02 0.899E-02 RMM: 7 -0.364402069624E+03 -0.67086E-04 -0.12362E-04 3884 0.297E-02 0.138E-01 RMM: 8 -0.364401956882E+03 0.11274E-03 -0.61579E-05 3421 0.234E-02 0.429E-02 RMM: 9 -0.364401958321E+03 -0.14385E-05 -0.18494E-05 2535 0.122E-02 196 T= 6239. E= 0.69805816E+03 F= 0.64644232E+03 E0= 0.67730015E+03 EK= 0.51616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365628774920E+03 -0.12268E+01 -0.18770E-01 8676 0.227E+01 0.393E-01 RMM: 2 -0.365644158335E+03 -0.15383E-01 -0.11017E-01 5310 0.684E-01 0.112E+00 RMM: 3 -0.365635240436E+03 0.89179E-02 -0.99102E-03 5404 0.215E-01 0.281E-01 RMM: 4 -0.365636655825E+03 -0.14154E-02 -0.24517E-03 5005 0.118E-01 0.556E-01 RMM: 5 -0.365634835549E+03 0.18203E-02 -0.95393E-04 4604 0.817E-02 0.193E-01 RMM: 6 -0.365634627084E+03 0.20847E-03 -0.23315E-04 3908 0.387E-02 0.862E-02 RMM: 7 -0.365634703037E+03 -0.75953E-04 -0.11584E-04 3861 0.288E-02 0.139E-01 RMM: 8 -0.365634588386E+03 0.11465E-03 -0.58865E-05 3384 0.226E-02 0.393E-02 RMM: 9 -0.365634590720E+03 -0.23338E-05 -0.16869E-05 2532 0.115E-02 197 T= 6517. E= 0.69952389E+03 F= 0.64561180E+03 E0= 0.67646930E+03 EK= 0.53912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366822947757E+03 -0.11884E+01 -0.20092E-01 8856 0.231E+01 0.400E-01 RMM: 2 -0.366840453401E+03 -0.17506E-01 -0.11954E-01 5299 0.713E-01 0.121E+00 RMM: 3 -0.366830103212E+03 0.10350E-01 -0.10496E-02 5393 0.225E-01 0.308E-01 RMM: 4 -0.366831280820E+03 -0.11776E-02 -0.26673E-03 5033 0.121E-01 0.537E-01 RMM: 5 -0.366829592738E+03 0.16881E-02 -0.98321E-04 4603 0.826E-02 0.195E-01 RMM: 6 -0.366829370284E+03 0.22245E-03 -0.19461E-04 3882 0.353E-02 0.738E-02 RMM: 7 -0.366829442058E+03 -0.71775E-04 -0.97777E-05 3816 0.262E-02 0.132E-01 RMM: 8 -0.366829336054E+03 0.10600E-03 -0.47542E-05 3242 0.206E-02 0.321E-02 RMM: 9 -0.366829345312E+03 -0.92579E-05 -0.15918E-05 2521 0.111E-02 198 T= 6792. E= 0.70100178E+03 F= 0.64481050E+03 E0= 0.67565830E+03 EK= 0.56191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367957609618E+03 -0.11283E+01 -0.20831E-01 8880 0.235E+01 0.384E-01 RMM: 2 -0.367973100684E+03 -0.15491E-01 -0.12307E-01 5365 0.709E-01 0.102E+00 RMM: 3 -0.367965257856E+03 0.78428E-02 -0.98089E-03 5392 0.217E-01 0.311E-01 RMM: 4 -0.367966343745E+03 -0.10859E-02 -0.24374E-03 4978 0.116E-01 0.523E-01 RMM: 5 -0.367964732261E+03 0.16115E-02 -0.93887E-04 4609 0.806E-02 0.189E-01 RMM: 6 -0.367964530990E+03 0.20127E-03 -0.20538E-04 3899 0.362E-02 0.844E-02 RMM: 7 -0.367964600791E+03 -0.69800E-04 -0.11599E-04 3867 0.287E-02 0.135E-01 RMM: 8 -0.367964491507E+03 0.10928E-03 -0.59106E-05 3384 0.224E-02 0.411E-02 RMM: 9 -0.367964490736E+03 0.77170E-06 -0.16113E-05 2515 0.114E-02 199 T= 6960. E= 0.70164381E+03 F= 0.64406189E+03 E0= 0.67489138E+03 EK= 0.57582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369017285796E+03 -0.10528E+01 -0.21401E-01 8784 0.236E+01 0.384E-01 RMM: 2 -0.369035633009E+03 -0.18347E-01 -0.13002E-01 5281 0.741E-01 0.117E+00 RMM: 3 -0.369025619661E+03 0.10013E-01 -0.10561E-02 5394 0.225E-01 0.286E-01 RMM: 4 -0.369026900099E+03 -0.12804E-02 -0.25006E-03 5107 0.119E-01 0.546E-01 RMM: 5 -0.369025181297E+03 0.17188E-02 -0.96733E-04 4581 0.815E-02 0.190E-01 RMM: 6 -0.369024984097E+03 0.19720E-03 -0.21497E-04 3896 0.374E-02 0.847E-02 RMM: 7 -0.369025055221E+03 -0.71124E-04 -0.10936E-04 3879 0.281E-02 0.135E-01 RMM: 8 -0.369024941447E+03 0.11377E-03 -0.53441E-05 3328 0.217E-02 0.362E-02 RMM: 9 -0.369024946505E+03 -0.50586E-05 -0.16486E-05 2519 0.114E-02 200 T= 6951. E= 0.70088640E+03 F= 0.64338496E+03 E0= 0.67419190E+03 EK= 0.57501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369998708117E+03 -0.97377E+00 -0.21133E-01 8688 0.235E+01 0.375E-01 RMM: 2 -0.370014705614E+03 -0.15997E-01 -0.12571E-01 5267 0.738E-01 0.104E+00 RMM: 3 -0.370006817204E+03 0.78884E-02 -0.99521E-03 5395 0.221E-01 0.292E-01 RMM: 4 -0.370007784583E+03 -0.96738E-03 -0.22439E-03 5057 0.113E-01 0.499E-01 RMM: 5 -0.370006368909E+03 0.14157E-02 -0.91501E-04 4608 0.802E-02 0.201E-01 RMM: 6 -0.370006151207E+03 0.21770E-03 -0.23623E-04 3899 0.394E-02 0.935E-02 RMM: 7 -0.370006223916E+03 -0.72710E-04 -0.12488E-04 3875 0.308E-02 0.141E-01 RMM: 8 -0.370006102996E+03 0.12092E-03 -0.59680E-05 3414 0.228E-02 0.411E-02 RMM: 9 -0.370006102761E+03 0.23568E-06 -0.17017E-05 2515 0.117E-02 201 T= 6769. E= 0.69878270E+03 F= 0.64278886E+03 E0= 0.67357254E+03 EK= 0.55994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370906841627E+03 -0.90074E+00 -0.20079E-01 8760 0.232E+01 0.391E-01 RMM: 2 -0.370928366013E+03 -0.21524E-01 -0.11705E-01 5210 0.721E-01 0.142E+00 RMM: 3 -0.370913941548E+03 0.14424E-01 -0.10411E-02 5382 0.230E-01 0.272E-01 RMM: 4 -0.370915063554E+03 -0.11220E-02 -0.24737E-03 5146 0.118E-01 0.519E-01 RMM: 5 -0.370913619261E+03 0.14443E-02 -0.99620E-04 4598 0.841E-02 0.222E-01 RMM: 6 -0.370913336352E+03 0.28291E-03 -0.25849E-04 3912 0.413E-02 0.863E-02 RMM: 7 -0.370913412952E+03 -0.76600E-04 -0.12914E-04 3886 0.316E-02 0.141E-01 RMM: 8 -0.370913290809E+03 0.12214E-03 -0.58261E-05 3389 0.227E-02 0.361E-02 RMM: 9 -0.370913298023E+03 -0.72139E-05 -0.15771E-05 2523 0.112E-02 202 T= 6491. E= 0.69596978E+03 F= 0.64227180E+03 E0= 0.67303581E+03 EK= 0.53698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371751405341E+03 -0.83811E+00 -0.18581E-01 8736 0.228E+01 0.376E-01 RMM: 2 -0.371765445848E+03 -0.14041E-01 -0.10750E-01 5174 0.698E-01 0.102E+00 RMM: 3 -0.371758009312E+03 0.74365E-02 -0.96168E-03 5380 0.218E-01 0.289E-01 RMM: 4 -0.371758918923E+03 -0.90961E-03 -0.21537E-03 4979 0.111E-01 0.489E-01 RMM: 5 -0.371757595088E+03 0.13238E-02 -0.93409E-04 4604 0.812E-02 0.212E-01 RMM: 6 -0.371757356077E+03 0.23901E-03 -0.26393E-04 3916 0.418E-02 0.967E-02 RMM: 7 -0.371757421899E+03 -0.65822E-04 -0.11881E-04 3863 0.313E-02 0.140E-01 RMM: 8 -0.371757300164E+03 0.12174E-03 -0.54555E-05 3353 0.220E-02 0.371E-02 RMM: 9 -0.371757305359E+03 -0.51948E-05 -0.17967E-05 2522 0.121E-02 203 T= 6222. E= 0.69330092E+03 F= 0.64182417E+03 E0= 0.67257365E+03 EK= 0.51477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372540467399E+03 -0.78317E+00 -0.17580E-01 8664 0.225E+01 0.392E-01 RMM: 2 -0.372560264455E+03 -0.19797E-01 -0.99267E-02 5137 0.680E-01 0.142E+00 RMM: 3 -0.372546169657E+03 0.14095E-01 -0.98056E-03 5379 0.225E-01 0.269E-01 RMM: 4 -0.372547366306E+03 -0.11966E-02 -0.25031E-03 5108 0.119E-01 0.525E-01 RMM: 5 -0.372545812789E+03 0.15535E-02 -0.10227E-03 4606 0.857E-02 0.205E-01 RMM: 6 -0.372545583002E+03 0.22979E-03 -0.24630E-04 3892 0.400E-02 0.915E-02 RMM: 7 -0.372545634112E+03 -0.51110E-04 -0.11902E-04 3873 0.307E-02 0.129E-01 RMM: 8 -0.372545532194E+03 0.10192E-03 -0.53360E-05 3341 0.218E-02 0.382E-02 RMM: 9 -0.372545536788E+03 -0.45938E-05 -0.15031E-05 2511 0.109E-02 204 T= 6049. E= 0.69147836E+03 F= 0.64143687E+03 E0= 0.67217828E+03 EK= 0.50041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373273133947E+03 -0.72760E+00 -0.16641E-01 8460 0.225E+01 0.378E-01 RMM: 2 -0.373285178702E+03 -0.12045E-01 -0.89772E-02 5208 0.645E-01 0.101E+00 RMM: 3 -0.373278117588E+03 0.70611E-02 -0.86002E-03 5392 0.208E-01 0.278E-01 RMM: 4 -0.373279346050E+03 -0.12285E-02 -0.21252E-03 4939 0.111E-01 0.527E-01 RMM: 5 -0.373277707646E+03 0.16384E-02 -0.86825E-04 4608 0.775E-02 0.190E-01 RMM: 6 -0.373277520276E+03 0.18737E-03 -0.25407E-04 3906 0.407E-02 0.940E-02 RMM: 7 -0.373277575941E+03 -0.55664E-04 -0.99200E-05 3796 0.287E-02 0.134E-01 RMM: 8 -0.373277466185E+03 0.10976E-03 -0.43930E-05 3200 0.199E-02 0.352E-02 RMM: 9 -0.373277473183E+03 -0.69985E-05 -0.17610E-05 2516 0.118E-02 205 T= 6018. E= 0.69088860E+03 F= 0.64110635E+03 E0= 0.67184457E+03 EK= 0.49782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373937459556E+03 -0.65999E+00 -0.16772E-01 8448 0.227E+01 0.377E-01 RMM: 2 -0.373952197593E+03 -0.14738E-01 -0.84673E-02 5254 0.623E-01 0.121E+00 RMM: 3 -0.373941985758E+03 0.10212E-01 -0.80798E-03 5382 0.202E-01 0.264E-01 RMM: 4 -0.373943295596E+03 -0.13098E-02 -0.23060E-03 4951 0.115E-01 0.537E-01 RMM: 5 -0.373941634828E+03 0.16608E-02 -0.93592E-04 4604 0.815E-02 0.189E-01 RMM: 6 -0.373941431353E+03 0.20347E-03 -0.20508E-04 3888 0.361E-02 0.804E-02 RMM: 7 -0.373941481495E+03 -0.50142E-04 -0.97268E-05 3782 0.275E-02 0.121E-01 RMM: 8 -0.373941392139E+03 0.89356E-04 -0.43187E-05 3206 0.198E-02 0.331E-02 RMM: 9 -0.373941399071E+03 -0.69317E-05 -0.14537E-05 2501 0.106E-02 206 T= 6134. E= 0.69158708E+03 F= 0.64083922E+03 E0= 0.67157815E+03 EK= 0.50748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374510334479E+03 -0.56894E+00 -0.17241E-01 8520 0.230E+01 0.374E-01 RMM: 2 -0.374521705977E+03 -0.11371E-01 -0.81839E-02 5229 0.622E-01 0.103E+00 RMM: 3 -0.374514670404E+03 0.70356E-02 -0.80864E-03 5369 0.201E-01 0.265E-01 RMM: 4 -0.374515876166E+03 -0.12058E-02 -0.20034E-03 4843 0.107E-01 0.522E-01 RMM: 5 -0.374514217866E+03 0.16583E-02 -0.84450E-04 4600 0.763E-02 0.150E-01 RMM: 6 -0.374514115425E+03 0.10244E-03 -0.18342E-04 3893 0.342E-02 0.900E-02 RMM: 7 -0.374514143746E+03 -0.28321E-04 -0.71306E-05 3552 0.239E-02 0.115E-01 RMM: 8 -0.374514063259E+03 0.80487E-04 -0.36600E-05 3075 0.184E-02 0.293E-02 RMM: 9 -0.374514074382E+03 -0.11123E-04 -0.16818E-05 2501 0.114E-02 207 T= 6365. E= 0.69331049E+03 F= 0.64065433E+03 E0= 0.67139524E+03 EK= 0.52656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374965053382E+03 -0.45099E+00 -0.17949E-01 8400 0.234E+01 0.358E-01 RMM: 2 -0.374977004987E+03 -0.11952E-01 -0.82967E-02 5206 0.621E-01 0.102E+00 RMM: 3 -0.374969729280E+03 0.72757E-02 -0.74351E-03 5382 0.190E-01 0.255E-01 RMM: 4 -0.374970894302E+03 -0.11650E-02 -0.20041E-03 4840 0.107E-01 0.511E-01 RMM: 5 -0.374969322713E+03 0.15716E-02 -0.84865E-04 4597 0.770E-02 0.156E-01 RMM: 6 -0.374969202400E+03 0.12031E-03 -0.17398E-04 3886 0.332E-02 0.866E-02 RMM: 7 -0.374969229855E+03 -0.27455E-04 -0.82122E-05 3689 0.253E-02 0.111E-01 RMM: 8 -0.374969155040E+03 0.74815E-04 -0.37741E-05 3120 0.186E-02 0.305E-02 RMM: 9 -0.374969163562E+03 -0.85215E-05 -0.14308E-05 2497 0.104E-02 208 T= 6637. E= 0.69548488E+03 F= 0.64057571E+03 E0= 0.67131853E+03 EK= 0.54909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375280021492E+03 -0.31087E+00 -0.18566E-01 8388 0.238E+01 0.356E-01 RMM: 2 -0.375290857273E+03 -0.10836E-01 -0.84328E-02 5177 0.639E-01 0.948E-01 RMM: 3 -0.375284906058E+03 0.59512E-02 -0.83129E-03 5368 0.201E-01 0.260E-01 RMM: 4 -0.375285979930E+03 -0.10739E-02 -0.17911E-03 4852 0.101E-01 0.496E-01 RMM: 5 -0.375284475721E+03 0.15042E-02 -0.70447E-04 4600 0.690E-02 0.149E-01 RMM: 6 -0.375284377936E+03 0.97785E-04 -0.18077E-04 3897 0.343E-02 0.920E-02 RMM: 7 -0.375284420069E+03 -0.42133E-04 -0.84593E-05 3664 0.252E-02 0.125E-01 RMM: 8 -0.375284323883E+03 0.96186E-04 -0.44731E-05 3213 0.201E-02 0.316E-02 RMM: 9 -0.375284329792E+03 -0.59090E-05 -0.15862E-05 2505 0.111E-02 209 T= 6854. E= 0.69732877E+03 F= 0.64062608E+03 E0= 0.67136886E+03 EK= 0.56703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375449180934E+03 -0.16486E+00 -0.18759E-01 8148 0.240E+01 0.329E-01 RMM: 2 -0.375459942684E+03 -0.10762E-01 -0.83243E-02 5216 0.618E-01 0.896E-01 RMM: 3 -0.375454153689E+03 0.57890E-02 -0.70424E-03 5369 0.187E-01 0.260E-01 RMM: 4 -0.375455095750E+03 -0.94206E-03 -0.17672E-03 4834 0.101E-01 0.478E-01 RMM: 5 -0.375453698752E+03 0.13970E-02 -0.80135E-04 4600 0.753E-02 0.131E-01 RMM: 6 -0.375453654139E+03 0.44613E-04 -0.17322E-04 3888 0.333E-02 0.108E-01 RMM: 7 -0.375453663526E+03 -0.93873E-05 -0.85137E-05 3719 0.262E-02 210 T= 6929. E= 0.69813549E+03 F= 0.64081402E+03 E0= 0.67155483E+03 EK= 0.57321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375484277568E+03 -0.30623E-01 -0.18672E-01 7884 0.239E+01 0.346E-01 RMM: 2 -0.375494015443E+03 -0.97379E-02 -0.87924E-02 5120 0.649E-01 0.783E-01 RMM: 3 -0.375489737751E+03 0.42777E-02 -0.77295E-03 5423 0.189E-01 0.271E-01 RMM: 4 -0.375490765545E+03 -0.10278E-02 -0.18539E-03 4903 0.106E-01 0.505E-01 RMM: 5 -0.375489241350E+03 0.15242E-02 -0.86216E-04 4603 0.769E-02 0.149E-01 RMM: 6 -0.375489207842E+03 0.33508E-04 -0.23540E-04 3900 0.390E-02 0.133E-01 RMM: 7 -0.375489190245E+03 0.17597E-04 -0.11272E-04 3876 0.308E-02 211 T= 6831. E= 0.69764353E+03 F= 0.64113133E+03 E0= 0.67186894E+03 EK= 0.56512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375417470136E+03 0.71738E-01 -0.18385E-01 7776 0.235E+01 0.336E-01 RMM: 2 -0.375430125872E+03 -0.12656E-01 -0.84906E-02 4996 0.655E-01 0.104E+00 RMM: 3 -0.375422790612E+03 0.73353E-02 -0.84232E-03 5376 0.205E-01 0.265E-01 RMM: 4 -0.375423301383E+03 -0.51077E-03 -0.17769E-03 4879 0.101E-01 0.404E-01 RMM: 5 -0.375422406283E+03 0.89510E-03 -0.82704E-04 4608 0.771E-02 0.186E-01 RMM: 6 -0.375422251391E+03 0.15489E-03 -0.26336E-04 3901 0.417E-02 0.107E-01 RMM: 7 -0.375422312314E+03 -0.60923E-04 -0.11923E-04 3857 0.315E-02 0.143E-01 RMM: 8 -0.375422189126E+03 0.12319E-03 -0.49630E-05 3290 0.211E-02 0.383E-02 RMM: 9 -0.375422193329E+03 -0.42035E-05 -0.17386E-05 2519 0.116E-02 212 T= 6604. E= 0.69618563E+03 F= 0.64155022E+03 E0= 0.67228317E+03 EK= 0.54635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375285017815E+03 0.13717E+00 -0.17774E-01 7716 0.230E+01 0.290E-01 RMM: 2 -0.375296142405E+03 -0.11125E-01 -0.78307E-02 5028 0.626E-01 0.937E-01 RMM: 3 -0.375290098982E+03 0.60434E-02 -0.75528E-03 5391 0.190E-01 0.198E-01 RMM: 4 -0.375290829609E+03 -0.73063E-03 -0.13662E-03 4719 0.897E-02 0.408E-01 RMM: 5 -0.375289819366E+03 0.10102E-02 -0.63638E-04 4604 0.678E-02 0.131E-01 RMM: 6 -0.375289777278E+03 0.42088E-04 -0.19749E-04 3884 0.360E-02 0.105E-01 RMM: 7 -0.375289781928E+03 -0.46499E-05 -0.77641E-05 3636 0.262E-02 213 T= 6340. E= 0.69448485E+03 F= 0.64203549E+03 E0= 0.67276504E+03 EK= 0.52449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375120354289E+03 0.16942E+00 -0.16747E-01 7728 0.225E+01 0.358E-01 RMM: 2 -0.375129471120E+03 -0.91168E-02 -0.70896E-02 5211 0.606E-01 0.894E-01 RMM: 3 -0.375124220716E+03 0.52504E-02 -0.68182E-03 5369 0.185E-01 0.287E-01 RMM: 4 -0.375125177050E+03 -0.95633E-03 -0.18139E-03 4803 0.105E-01 0.493E-01 RMM: 5 -0.375123710901E+03 0.14661E-02 -0.94705E-04 4608 0.823E-02 0.170E-01 RMM: 6 -0.375123632762E+03 0.78139E-04 -0.28291E-04 3894 0.421E-02 0.137E-01 RMM: 7 -0.375123592681E+03 0.40081E-04 -0.13821E-04 3874 0.354E-02 0.113E-01 RMM: 8 -0.375123518953E+03 0.73728E-04 -0.42787E-05 3202 0.195E-02 0.372E-02 RMM: 9 -0.375123539270E+03 -0.20317E-04 -0.22229E-05 2597 0.131E-02 0.630E-02 RMM: 10 -0.375123526081E+03 0.13189E-04 -0.19021E-05 2516 0.138E-02 214 T= 6132. E= 0.69328640E+03 F= 0.64255512E+03 E0= 0.67328120E+03 EK= 0.50731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374936101228E+03 0.18744E+00 -0.16238E-01 7896 0.222E+01 0.270E-01 RMM: 2 -0.374943412776E+03 -0.73115E-02 -0.71390E-02 5033 0.604E-01 0.631E-01 RMM: 3 -0.374940721369E+03 0.26914E-02 -0.64763E-03 5540 0.167E-01 0.202E-01 RMM: 4 -0.374941324563E+03 -0.60319E-03 -0.11518E-03 4642 0.836E-02 0.392E-01 RMM: 5 -0.374940417934E+03 0.90663E-03 -0.58281E-04 4593 0.642E-02 0.122E-01 RMM: 6 -0.374940368048E+03 0.49885E-04 -0.15372E-04 3882 0.318E-02 0.872E-02 RMM: 7 -0.374940362765E+03 0.52836E-05 -0.49722E-05 3272 0.218E-02 215 T= 6046. E= 0.69310405E+03 F= 0.64308953E+03 E0= 0.67381497E+03 EK= 0.50015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374738417887E+03 0.20195E+00 -0.16096E-01 8292 0.222E+01 0.361E-01 RMM: 2 -0.374746124301E+03 -0.77064E-02 -0.69516E-02 5264 0.595E-01 0.794E-01 RMM: 3 -0.374742122241E+03 0.40021E-02 -0.63137E-03 5397 0.173E-01 0.287E-01 RMM: 4 -0.374743302107E+03 -0.11799E-02 -0.17996E-03 4743 0.103E-01 0.531E-01 RMM: 5 -0.374741527600E+03 0.17745E-02 -0.89482E-04 4604 0.777E-02 0.124E-01 RMM: 6 -0.374741527369E+03 0.23053E-06 -0.20748E-04 3882 0.356E-02 0.131E-01 RMM: 7 -0.374741485030E+03 0.42339E-04 -0.82311E-05 3665 0.264E-02 0.103E-01 RMM: 8 -0.374741423341E+03 0.61690E-04 -0.35344E-05 3062 0.175E-02 0.340E-02 RMM: 9 -0.374741443384E+03 -0.20044E-04 -0.20500E-05 2554 0.126E-02 0.604E-02 RMM: 10 -0.374741428012E+03 0.15373E-04 -0.14544E-05 2492 0.124E-02 216 T= 6105. E= 0.69413940E+03 F= 0.64363375E+03 E0= 0.67435911E+03 EK= 0.50506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374510597835E+03 0.23085E+00 -0.16920E-01 8280 0.224E+01 0.282E-01 RMM: 2 -0.374518977631E+03 -0.83798E-02 -0.87841E-02 5000 0.657E-01 0.584E-01 RMM: 3 -0.374516695872E+03 0.22818E-02 -0.82601E-03 5646 0.180E-01 0.244E-01 RMM: 4 -0.374517263701E+03 -0.56783E-03 -0.11723E-03 4658 0.828E-02 0.412E-01 RMM: 5 -0.374516215914E+03 0.10478E-02 -0.55492E-04 4556 0.607E-02 0.102E-01 RMM: 6 -0.374516178956E+03 0.36958E-04 -0.12039E-04 3866 0.278E-02 0.741E-02 RMM: 7 -0.374516177342E+03 0.16136E-05 -0.39083E-05 3072 0.186E-02 217 T= 6295. E= 0.69627289E+03 F= 0.64419460E+03 E0= 0.67492078E+03 EK= 0.52078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374242320039E+03 0.27386E+00 -0.17052E-01 8484 0.227E+01 0.345E-01 RMM: 2 -0.374251037930E+03 -0.87179E-02 -0.82286E-02 5321 0.644E-01 0.764E-01 RMM: 3 -0.374247317341E+03 0.37206E-02 -0.73588E-03 5577 0.179E-01 0.279E-01 RMM: 4 -0.374248265521E+03 -0.94818E-03 -0.15982E-03 4682 0.964E-02 0.496E-01 RMM: 5 -0.374246701388E+03 0.15641E-02 -0.76686E-04 4598 0.706E-02 0.102E-01 RMM: 6 -0.374246722848E+03 -0.21461E-04 -0.17049E-04 3879 0.322E-02 0.125E-01 RMM: 7 -0.374246676235E+03 0.46613E-04 -0.77168E-05 3653 0.240E-02 0.948E-02 RMM: 8 -0.374246625117E+03 0.51118E-04 -0.31894E-05 2977 0.166E-02 0.316E-02 RMM: 9 -0.374246642482E+03 -0.17365E-04 -0.18525E-05 2531 0.119E-02 218 T= 6560. E= 0.69905999E+03 F= 0.64478779E+03 E0= 0.67551584E+03 EK= 0.54272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373909333596E+03 0.33729E+00 -0.17915E-01 8436 0.232E+01 0.309E-01 RMM: 2 -0.373920991837E+03 -0.11658E-01 -0.10293E-01 5204 0.701E-01 0.828E-01 RMM: 3 -0.373916274511E+03 0.47173E-02 -0.90372E-03 5713 0.186E-01 0.217E-01 RMM: 4 -0.373916994394E+03 -0.71988E-03 -0.15182E-03 4712 0.942E-02 0.427E-01 RMM: 5 -0.373915865687E+03 0.11287E-02 -0.64132E-04 4570 0.651E-02 0.110E-01 RMM: 6 -0.373915811104E+03 0.54583E-04 -0.11308E-04 3812 0.267E-02 0.695E-02 RMM: 7 -0.373915839232E+03 -0.28129E-04 -0.48325E-05 3247 0.192E-02 0.989E-02 RMM: 8 -0.373915780365E+03 0.58868E-04 -0.29271E-05 2846 0.168E-02 0.234E-02 RMM: 9 -0.373915788394E+03 -0.80295E-05 -0.12634E-05 2474 0.968E-03 219 T= 6811. E= 0.70177620E+03 F= 0.64543026E+03 E0= 0.67616047E+03 EK= 0.56346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373515526109E+03 0.40025E+00 -0.18459E-01 8532 0.235E+01 0.308E-01 RMM: 2 -0.373525690899E+03 -0.10165E-01 -0.95799E-02 5295 0.674E-01 0.723E-01 RMM: 3 -0.373521924787E+03 0.37661E-02 -0.78387E-03 5744 0.176E-01 0.234E-01 RMM: 4 -0.373522604248E+03 -0.67946E-03 -0.14380E-03 4677 0.923E-02 0.429E-01 RMM: 5 -0.373521440274E+03 0.11640E-02 -0.64424E-04 4562 0.648E-02 0.937E-02 RMM: 6 -0.373521451888E+03 -0.11614E-04 -0.13213E-04 3875 0.287E-02 220 T= 6951. E= 0.70362727E+03 F= 0.64612621E+03 E0= 0.67685923E+03 EK= 0.57501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373078344747E+03 0.44310E+00 -0.19239E-01 8508 0.236E+01 0.413E-01 RMM: 2 -0.373110574297E+03 -0.32230E-01 -0.11042E-01 5141 0.748E-01 0.195E+00 RMM: 3 -0.373085270429E+03 0.25304E-01 -0.14965E-02 5356 0.289E-01 0.323E-01 RMM: 4 -0.373085297349E+03 -0.26920E-04 -0.24533E-03 5098 0.110E-01 0.350E-01 RMM: 5 -0.373084743195E+03 0.55415E-03 -0.64733E-04 4603 0.629E-02 0.216E-01 RMM: 6 -0.373084484691E+03 0.25850E-03 -0.24790E-04 3898 0.408E-02 0.932E-02 RMM: 7 -0.373084568703E+03 -0.84012E-04 -0.12939E-04 3878 0.299E-02 0.146E-01 RMM: 8 -0.373084447102E+03 0.12160E-03 -0.65776E-05 3475 0.232E-02 0.538E-02 RMM: 9 -0.373084436851E+03 0.10250E-04 -0.21540E-05 2633 0.134E-02 221 T= 6922. E= 0.70411891E+03 F= 0.64685817E+03 E0= 0.67759638E+03 EK= 0.57261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372642901229E+03 0.44155E+00 -0.18868E-01 8172 0.234E+01 0.376E-01 RMM: 2 -0.372672366139E+03 -0.29465E-01 -0.10756E-01 5111 0.726E-01 0.183E+00 RMM: 3 -0.372649914356E+03 0.22452E-01 -0.13614E-02 5345 0.275E-01 0.350E-01 RMM: 4 -0.372649505929E+03 0.40843E-03 -0.23917E-03 5084 0.110E-01 0.275E-01 RMM: 5 -0.372649288917E+03 0.21701E-03 -0.57945E-04 4589 0.632E-02 0.219E-01 RMM: 6 -0.372648987191E+03 0.30173E-03 -0.16701E-04 3887 0.335E-02 0.587E-02 RMM: 7 -0.372649062846E+03 -0.75655E-04 -0.93878E-05 3691 0.247E-02 0.125E-01 RMM: 8 -0.372648971292E+03 0.91554E-04 -0.46810E-05 3243 0.210E-02 0.371E-02 RMM: 9 -0.372648965695E+03 0.55970E-05 -0.11391E-05 2476 0.957E-03 222 T= 6739. E= 0.70333702E+03 F= 0.64758542E+03 E0= 0.67833124E+03 EK= 0.55752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372262125419E+03 0.38685E+00 -0.18496E-01 8280 0.231E+01 0.336E-01 RMM: 2 -0.372285387298E+03 -0.23262E-01 -0.10959E-01 5056 0.726E-01 0.153E+00 RMM: 3 -0.372269508608E+03 0.15879E-01 -0.11248E-02 5378 0.241E-01 0.256E-01 RMM: 4 -0.372269642204E+03 -0.13360E-03 -0.18142E-03 4942 0.972E-02 0.321E-01 RMM: 5 -0.372269189870E+03 0.45233E-03 -0.57970E-04 4572 0.624E-02 0.201E-01 RMM: 6 -0.372268965774E+03 0.22410E-03 -0.21853E-04 3897 0.383E-02 0.886E-02 RMM: 7 -0.372269049045E+03 -0.83272E-04 -0.13129E-04 3879 0.307E-02 0.144E-01 RMM: 8 -0.372268923450E+03 0.12559E-03 -0.62105E-05 3427 0.234E-02 0.443E-02 RMM: 9 -0.372268917925E+03 0.55254E-05 -0.15330E-05 2516 0.112E-02 223 T= 6483. E= 0.70188588E+03 F= 0.64825659E+03 E0= 0.67901342E+03 EK= 0.53629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371992486193E+03 0.27644E+00 -0.17703E-01 8328 0.228E+01 0.295E-01 RMM: 2 -0.372008068701E+03 -0.15583E-01 -0.99449E-02 5145 0.678E-01 0.109E+00 RMM: 3 -0.371999211603E+03 0.88571E-02 -0.89063E-03 5395 0.210E-01 0.210E-01 RMM: 4 -0.371999559937E+03 -0.34833E-03 -0.13269E-03 4738 0.841E-02 0.336E-01 RMM: 5 -0.371998947618E+03 0.61232E-03 -0.52509E-04 4575 0.609E-02 0.159E-01 RMM: 6 -0.371998837849E+03 0.10977E-03 -0.19525E-04 3894 0.357E-02 0.956E-02 RMM: 7 -0.371998884808E+03 -0.46959E-04 -0.92890E-05 3735 0.269E-02 0.129E-01 RMM: 8 -0.371998783055E+03 0.10175E-03 -0.48876E-05 3275 0.208E-02 0.297E-02 RMM: 9 -0.371998789551E+03 -0.64956E-05 -0.12994E-05 2492 0.100E-02 224 T= 6252. E= 0.70053712E+03 F= 0.64881793E+03 E0= 0.67958904E+03 EK= 0.51719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371870908831E+03 0.12787E+00 -0.17079E-01 8232 0.226E+01 0.285E-01 RMM: 2 -0.371886113178E+03 -0.15204E-01 -0.95511E-02 5134 0.662E-01 0.109E+00 RMM: 3 -0.371877392343E+03 0.87208E-02 -0.82058E-03 5377 0.203E-01 0.229E-01 RMM: 4 -0.371877572159E+03 -0.17982E-03 -0.13813E-03 4732 0.872E-02 0.302E-01 RMM: 5 -0.371877144379E+03 0.42778E-03 -0.47765E-04 4528 0.580E-02 0.182E-01 RMM: 6 -0.371876951484E+03 0.19290E-03 -0.18158E-04 3887 0.348E-02 0.741E-02 RMM: 7 -0.371876975016E+03 -0.23533E-04 -0.73156E-05 3568 0.244E-02 0.975E-02 RMM: 8 -0.371876918558E+03 0.56459E-04 -0.30778E-05 2986 0.173E-02 0.274E-02 RMM: 9 -0.371876924517E+03 -0.59595E-05 -0.11487E-05 2473 0.927E-03 225 T= 6125. E= 0.69990335E+03 F= 0.64922995E+03 E0= 0.68001849E+03 EK= 0.50673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371915928221E+03 -0.39010E-01 -0.16743E-01 8244 0.226E+01 0.277E-01 RMM: 2 -0.371927081867E+03 -0.11154E-01 -0.87133E-02 5177 0.629E-01 0.843E-01 RMM: 3 -0.371921644608E+03 0.54373E-02 -0.70116E-03 5465 0.183E-01 0.185E-01 RMM: 4 -0.371922170397E+03 -0.52579E-03 -0.11939E-03 4675 0.825E-02 0.359E-01 RMM: 5 -0.371921377197E+03 0.79320E-03 -0.47865E-04 4497 0.569E-02 0.117E-01 RMM: 6 -0.371921357708E+03 0.19489E-04 -0.14983E-04 3876 0.311E-02 226 T= 6142. E= 0.70028708E+03 F= 0.64947213E+03 E0= 0.68027900E+03 EK= 0.50815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372122995419E+03 -0.20162E+00 -0.16973E-01 8268 0.229E+01 0.406E-01 RMM: 2 -0.372151934998E+03 -0.28940E-01 -0.87964E-02 5159 0.661E-01 0.190E+00 RMM: 3 -0.372128302732E+03 0.23632E-01 -0.13741E-02 5338 0.281E-01 0.354E-01 RMM: 4 -0.372127943196E+03 0.35954E-03 -0.21387E-03 4980 0.102E-01 0.290E-01 RMM: 5 -0.372127814096E+03 0.12910E-03 -0.59503E-04 4583 0.604E-02 0.270E-01 RMM: 6 -0.372127368878E+03 0.44522E-03 -0.28557E-04 3906 0.445E-02 0.867E-02 RMM: 7 -0.372127458530E+03 -0.89652E-04 -0.15685E-04 3884 0.324E-02 0.147E-01 RMM: 8 -0.372127334451E+03 0.12408E-03 -0.71396E-05 3509 0.250E-02 0.485E-02 RMM: 9 -0.372127327832E+03 0.66196E-05 -0.16669E-05 2541 0.117E-02 227 T= 6299. E= 0.70165488E+03 F= 0.64954646E+03 E0= 0.68037421E+03 EK= 0.52108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372469336031E+03 -0.34200E+00 -0.17284E-01 8100 0.234E+01 0.410E-01 RMM: 2 -0.372504472573E+03 -0.35137E-01 -0.89301E-02 5239 0.671E-01 0.215E+00 RMM: 3 -0.372474643214E+03 0.29829E-01 -0.14509E-02 5300 0.295E-01 0.411E-01 RMM: 4 -0.372473825222E+03 0.81799E-03 -0.24663E-03 5062 0.110E-01 0.242E-01 RMM: 5 -0.372473853488E+03 -0.28266E-04 -0.46729E-04 4457 0.546E-02 0.259E-01 RMM: 6 -0.372473409422E+03 0.44407E-03 -0.19710E-04 3890 0.377E-02 0.488E-02 RMM: 7 -0.372473437317E+03 -0.27896E-04 -0.65181E-05 3432 0.213E-02 0.860E-02 RMM: 8 -0.372473396027E+03 0.41290E-04 -0.32050E-05 2900 0.180E-02 0.340E-02 RMM: 9 -0.372473391140E+03 0.48870E-05 -0.90550E-06 2458 0.869E-03 228 T= 6547. E= 0.70363223E+03 F= 0.64947252E+03 E0= 0.68031940E+03 EK= 0.54160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372919183854E+03 -0.44579E+00 -0.18169E-01 8016 0.239E+01 0.332E-01 RMM: 2 -0.372935761757E+03 -0.16578E-01 -0.88801E-02 5281 0.650E-01 0.126E+00 RMM: 3 -0.372924878837E+03 0.10883E-01 -0.89489E-03 5353 0.217E-01 0.275E-01 RMM: 4 -0.372925092738E+03 -0.21390E-03 -0.16784E-03 4742 0.939E-02 0.339E-01 RMM: 5 -0.372924461122E+03 0.63162E-03 -0.43489E-04 4294 0.522E-02 0.169E-01 RMM: 6 -0.372924294633E+03 0.16649E-03 -0.12755E-04 3881 0.303E-02 0.652E-02 RMM: 7 -0.372924349071E+03 -0.54437E-04 -0.89710E-05 3704 0.245E-02 0.117E-01 RMM: 8 -0.372924265411E+03 0.83659E-04 -0.48661E-05 3217 0.211E-02 0.317E-02 RMM: 9 -0.372924267861E+03 -0.24492E-05 -0.13646E-05 2493 0.105E-02 229 T= 6801. E= 0.70554490E+03 F= 0.64928530E+03 E0= 0.68014890E+03 EK= 0.56260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373429877669E+03 -0.50561E+00 -0.18702E-01 8232 0.243E+01 0.318E-01 RMM: 2 -0.373444499642E+03 -0.14622E-01 -0.92700E-02 5296 0.665E-01 0.113E+00 RMM: 3 -0.373435824528E+03 0.86751E-02 -0.81637E-03 5403 0.200E-01 0.233E-01 RMM: 4 -0.373436287439E+03 -0.46291E-03 -0.14958E-03 4697 0.897E-02 0.369E-01 RMM: 5 -0.373435501897E+03 0.78554E-03 -0.43881E-04 4356 0.526E-02 0.147E-01 RMM: 6 -0.373435379692E+03 0.12220E-03 -0.12850E-04 3863 0.297E-02 0.613E-02 RMM: 7 -0.373435429007E+03 -0.49315E-04 -0.65302E-05 3474 0.217E-02 0.108E-01 RMM: 8 -0.373435357353E+03 0.71653E-04 -0.37599E-05 3053 0.188E-02 0.261E-02 RMM: 9 -0.373435364682E+03 -0.73287E-05 -0.14176E-05 2490 0.105E-02 230 T= 6960. E= 0.70660521E+03 F= 0.64903082E+03 E0= 0.67990834E+03 EK= 0.57574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373955973689E+03 -0.52062E+00 -0.20006E-01 8088 0.244E+01 0.282E-01 RMM: 2 -0.373967831932E+03 -0.11858E-01 -0.10802E-01 5214 0.707E-01 0.727E-01 RMM: 3 -0.373963694759E+03 0.41372E-02 -0.85921E-03 5613 0.189E-01 0.213E-01 RMM: 4 -0.373964166274E+03 -0.47152E-03 -0.12422E-03 4707 0.837E-02 0.369E-01 RMM: 5 -0.373963307862E+03 0.85841E-03 -0.47661E-04 4424 0.556E-02 0.105E-01 RMM: 6 -0.373963267014E+03 0.40848E-04 -0.99359E-05 3757 0.257E-02 0.762E-02 RMM: 7 -0.373963289808E+03 -0.22793E-04 -0.62248E-05 3454 0.211E-02 0.100E-01 RMM: 8 -0.373963229922E+03 0.59886E-04 -0.34796E-05 3012 0.181E-02 0.268E-02 RMM: 9 -0.373963236930E+03 -0.70078E-05 -0.13596E-05 2478 0.102E-02 231 T= 6953. E= 0.70627272E+03 F= 0.64875525E+03 E0= 0.67964446E+03 EK= 0.57517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374470639426E+03 -0.50741E+00 -0.19280E-01 8208 0.242E+01 0.291E-01 RMM: 2 -0.374483759048E+03 -0.13120E-01 -0.10025E-01 5346 0.680E-01 0.939E-01 RMM: 3 -0.374477365031E+03 0.63940E-02 -0.77886E-03 5609 0.187E-01 0.195E-01 RMM: 4 -0.374477933271E+03 -0.56824E-03 -0.12762E-03 4664 0.840E-02 0.373E-01 RMM: 5 -0.374477071536E+03 0.86173E-03 -0.42980E-04 4321 0.524E-02 0.118E-01 RMM: 6 -0.374477018080E+03 0.53456E-04 -0.11935E-04 3843 0.281E-02 0.824E-02 RMM: 7 -0.374477047838E+03 -0.29758E-04 -0.72875E-05 3616 0.227E-02 0.109E-01 RMM: 8 -0.374476974152E+03 0.73686E-04 -0.40041E-05 3106 0.192E-02 0.232E-02 RMM: 9 -0.374476983812E+03 -0.96596E-05 -0.13681E-05 2488 0.103E-02 232 T= 6780. E= 0.70458038E+03 F= 0.64849246E+03 E0= 0.67939290E+03 EK= 0.56088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374957945280E+03 -0.48097E+00 -0.18750E-01 8592 0.238E+01 0.279E-01 RMM: 2 -0.374971098787E+03 -0.13154E-01 -0.99866E-02 5302 0.678E-01 0.922E-01 RMM: 3 -0.374964827292E+03 0.62715E-02 -0.76070E-03 5678 0.180E-01 0.208E-01 RMM: 4 -0.374965153678E+03 -0.32639E-03 -0.12856E-03 4678 0.859E-02 0.332E-01 RMM: 5 -0.374964482608E+03 0.67107E-03 -0.43969E-04 4337 0.536E-02 0.119E-01 RMM: 6 -0.374964440205E+03 0.42403E-04 -0.13172E-04 3881 0.299E-02 0.910E-02 RMM: 7 -0.374964463847E+03 -0.23642E-04 -0.69667E-05 3547 0.225E-02 0.111E-01 RMM: 8 -0.374964388688E+03 0.75159E-04 -0.36394E-05 3070 0.184E-02 0.247E-02 RMM: 9 -0.374964395656E+03 -0.69674E-05 -0.12225E-05 2472 0.955E-03 233 T= 6512. E= 0.70212719E+03 F= 0.64825696E+03 E0= 0.67917093E+03 EK= 0.53870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375424851597E+03 -0.46046E+00 -0.18027E-01 8556 0.233E+01 0.267E-01 RMM: 2 -0.375437571933E+03 -0.12720E-01 -0.10220E-01 5212 0.685E-01 0.865E-01 RMM: 3 -0.375432110866E+03 0.54611E-02 -0.83879E-03 5740 0.184E-01 0.175E-01 RMM: 4 -0.375432471766E+03 -0.36090E-03 -0.11165E-03 4671 0.796E-02 0.329E-01 RMM: 5 -0.375431815907E+03 0.65586E-03 -0.41195E-04 4339 0.525E-02 0.118E-01 RMM: 6 -0.375431788518E+03 0.27390E-04 -0.14439E-04 3883 0.308E-02 0.102E-01 RMM: 7 -0.375431806504E+03 -0.17987E-04 -0.78576E-05 3643 0.242E-02 234 T= 6249. E= 0.69974094E+03 F= 0.64804314E+03 E0= 0.67897560E+03 EK= 0.51698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375886594345E+03 -0.45481E+00 -0.17074E-01 8652 0.229E+01 0.279E-01 RMM: 2 -0.375898390641E+03 -0.11796E-01 -0.92044E-02 5313 0.646E-01 0.864E-01 RMM: 3 -0.375892951753E+03 0.54389E-02 -0.72194E-03 5730 0.172E-01 0.221E-01 RMM: 4 -0.375893182980E+03 -0.23123E-03 -0.11794E-03 4644 0.823E-02 0.324E-01 RMM: 5 -0.375892542518E+03 0.64046E-03 -0.48015E-04 4445 0.567E-02 0.118E-01 RMM: 6 -0.375892555985E+03 -0.13467E-04 -0.16236E-04 3882 0.327E-02 235 T= 6078. E= 0.69811951E+03 F= 0.64783662E+03 E0= 0.67879221E+03 EK= 0.50283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376351272825E+03 -0.45873E+00 -0.16448E-01 8604 0.227E+01 0.425E-01 RMM: 2 -0.376386982892E+03 -0.35710E-01 -0.98343E-02 5217 0.699E-01 0.214E+00 RMM: 3 -0.376357317306E+03 0.29666E-01 -0.16927E-02 5278 0.317E-01 0.415E-01 RMM: 4 -0.376356346467E+03 0.97084E-03 -0.22078E-03 4906 0.992E-02 0.199E-01 RMM: 5 -0.376356433777E+03 -0.87310E-04 -0.57711E-04 4596 0.603E-02 0.251E-01 RMM: 6 -0.376356059929E+03 0.37385E-03 -0.27094E-04 3905 0.430E-02 0.863E-02 RMM: 7 -0.376356126189E+03 -0.66260E-04 -0.11751E-04 3871 0.283E-02 0.132E-01 RMM: 8 -0.376356032114E+03 0.94075E-04 -0.51659E-05 3318 0.211E-02 0.525E-02 RMM: 9 -0.376356019652E+03 0.12461E-04 -0.16062E-05 2528 0.118E-02 236 T= 6047. E= 0.69765452E+03 F= 0.64762552E+03 E0= 0.67861101E+03 EK= 0.50029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376814247900E+03 -0.45822E+00 -0.16386E-01 8604 0.228E+01 0.439E-01 RMM: 2 -0.376855579164E+03 -0.41331E-01 -0.97407E-02 5264 0.703E-01 0.234E+00 RMM: 3 -0.376820076930E+03 0.35502E-01 -0.17940E-02 5199 0.330E-01 0.431E-01 RMM: 4 -0.376818960453E+03 0.11165E-02 -0.26043E-03 5015 0.110E-01 0.206E-01 RMM: 5 -0.376818981988E+03 -0.21535E-04 -0.48429E-04 4513 0.546E-02 0.232E-01 RMM: 6 -0.376818646259E+03 0.33573E-03 -0.18351E-04 3882 0.358E-02 0.635E-02 RMM: 7 -0.376818664516E+03 -0.18257E-04 -0.65817E-05 3466 0.213E-02 237 T= 6164. E= 0.69840501E+03 F= 0.64741034E+03 E0= 0.67843067E+03 EK= 0.50995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377253913233E+03 -0.43527E+00 -0.17119E-01 8544 0.231E+01 0.340E-01 RMM: 2 -0.377277676236E+03 -0.23763E-01 -0.93684E-02 5296 0.652E-01 0.163E+00 RMM: 3 -0.377259991868E+03 0.17684E-01 -0.10467E-02 5369 0.235E-01 0.279E-01 RMM: 4 -0.377259952827E+03 0.39041E-04 -0.17208E-03 4697 0.917E-02 0.290E-01 RMM: 5 -0.377259688573E+03 0.26425E-03 -0.44274E-04 4374 0.526E-02 0.227E-01 RMM: 6 -0.377259372811E+03 0.31576E-03 -0.21307E-04 3891 0.382E-02 0.701E-02 RMM: 7 -0.377259459808E+03 -0.86998E-04 -0.11626E-04 3870 0.275E-02 0.137E-01 RMM: 8 -0.377259347082E+03 0.11273E-03 -0.62254E-05 3443 0.230E-02 0.429E-02 RMM: 9 -0.377259340940E+03 0.61419E-05 -0.14834E-05 2516 0.111E-02 238 T= 6394. E= 0.70010461E+03 F= 0.64720973E+03 E0= 0.67826809E+03 EK= 0.52895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377636761061E+03 -0.37741E+00 -0.17618E-01 8472 0.236E+01 0.288E-01 RMM: 2 -0.377653177917E+03 -0.16417E-01 -0.91783E-02 5330 0.644E-01 0.123E+00 RMM: 3 -0.377642778063E+03 0.10400E-01 -0.81124E-03 5406 0.199E-01 0.188E-01 RMM: 4 -0.377643298637E+03 -0.52057E-03 -0.13365E-03 4638 0.832E-02 0.352E-01 RMM: 5 -0.377642558542E+03 0.74009E-03 -0.36498E-04 4003 0.477E-02 0.125E-01 RMM: 6 -0.377642472607E+03 0.85935E-04 -0.10268E-04 3762 0.273E-02 0.582E-02 RMM: 7 -0.377642521570E+03 -0.48963E-04 -0.66870E-05 3458 0.217E-02 0.108E-01 RMM: 8 -0.377642450952E+03 0.70618E-04 -0.40427E-05 3104 0.192E-02 0.241E-02 RMM: 9 -0.377642454536E+03 -0.35840E-05 -0.10568E-05 2474 0.894E-03 239 T= 6662. E= 0.70217355E+03 F= 0.64705812E+03 E0= 0.67815546E+03 EK= 0.55115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377919392762E+03 -0.27694E+00 -0.19113E-01 8376 0.240E+01 0.303E-01 RMM: 2 -0.377936644605E+03 -0.17252E-01 -0.11199E-01 5123 0.732E-01 0.117E+00 RMM: 3 -0.377927425766E+03 0.92188E-02 -0.10985E-02 5532 0.224E-01 0.252E-01 RMM: 4 -0.377927502807E+03 -0.77040E-04 -0.14804E-03 4714 0.862E-02 0.294E-01 RMM: 5 -0.377927021666E+03 0.48114E-03 -0.32821E-04 3917 0.434E-02 0.148E-01 RMM: 6 -0.377926897806E+03 0.12386E-03 -0.10393E-04 3742 0.282E-02 0.589E-02 RMM: 7 -0.377926955654E+03 -0.57848E-04 -0.80454E-05 3636 0.234E-02 0.116E-01 RMM: 8 -0.377926874331E+03 0.81323E-04 -0.44000E-05 3141 0.198E-02 0.340E-02 RMM: 9 -0.377926872327E+03 0.20041E-05 -0.14682E-05 2482 0.109E-02 240 T= 6870. E= 0.70383196E+03 F= 0.64699712E+03 E0= 0.67813105E+03 EK= 0.56835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378072352862E+03 -0.14548E+00 -0.19809E-01 8220 0.243E+01 0.275E-01 RMM: 2 -0.378088292876E+03 -0.15940E-01 -0.10543E-01 5190 0.693E-01 0.108E+00 RMM: 3 -0.378079850176E+03 0.84427E-02 -0.88781E-03 5474 0.204E-01 0.208E-01 RMM: 4 -0.378080194143E+03 -0.34397E-03 -0.13402E-03 4678 0.841E-02 0.320E-01 RMM: 5 -0.378079599579E+03 0.59456E-03 -0.35014E-04 4044 0.464E-02 0.136E-01 RMM: 6 -0.378079497655E+03 0.10192E-03 -0.99147E-05 3720 0.270E-02 0.597E-02 RMM: 7 -0.378079557949E+03 -0.60294E-04 -0.80321E-05 3673 0.234E-02 0.117E-01 RMM: 8 -0.378079474489E+03 0.83460E-04 -0.44307E-05 3179 0.198E-02 0.295E-02 RMM: 9 -0.378079475695E+03 -0.12063E-05 -0.12562E-05 2478 0.988E-03 241 T= 6931. E= 0.70439942E+03 F= 0.64706164E+03 E0= 0.67822844E+03 EK= 0.57338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378084473787E+03 -0.49993E-02 -0.19630E-01 8208 0.242E+01 0.249E-01 RMM: 2 -0.378097335093E+03 -0.12861E-01 -0.10434E-01 5206 0.682E-01 0.826E-01 RMM: 3 -0.378091938903E+03 0.53962E-02 -0.79096E-03 5533 0.191E-01 0.195E-01 RMM: 4 -0.378092221919E+03 -0.28302E-03 -0.10795E-03 4661 0.757E-02 0.296E-01 RMM: 5 -0.378091701642E+03 0.52028E-03 -0.30316E-04 3937 0.436E-02 0.123E-01 RMM: 6 -0.378091629090E+03 0.72552E-04 -0.93389E-05 3666 0.266E-02 0.676E-02 RMM: 7 -0.378091681014E+03 -0.51924E-04 -0.71774E-05 3523 0.225E-02 0.114E-01 RMM: 8 -0.378091602122E+03 0.78892E-04 -0.41120E-05 3120 0.195E-02 0.274E-02 RMM: 9 -0.378091603162E+03 -0.10403E-05 -0.12405E-05 2465 0.988E-03 242 T= 6818. E= 0.70366337E+03 F= 0.64726274E+03 E0= 0.67845662E+03 EK= 0.56401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377978666967E+03 0.11294E+00 -0.19288E-01 8316 0.240E+01 0.261E-01 RMM: 2 -0.377995505050E+03 -0.16838E-01 -0.10109E-01 5138 0.682E-01 0.116E+00 RMM: 3 -0.377985914790E+03 0.95903E-02 -0.85977E-03 5467 0.202E-01 0.208E-01 RMM: 4 -0.377985975138E+03 -0.60348E-04 -0.11436E-03 4664 0.763E-02 0.246E-01 RMM: 5 -0.377985671582E+03 0.30356E-03 -0.29089E-04 3983 0.445E-02 0.141E-01 RMM: 6 -0.377985563271E+03 0.10831E-03 -0.99771E-05 3716 0.276E-02 0.617E-02 RMM: 7 -0.377985617625E+03 -0.54354E-04 -0.73093E-05 3551 0.229E-02 0.112E-01 RMM: 8 -0.377985543024E+03 0.74601E-04 -0.38055E-05 3069 0.194E-02 0.273E-02 RMM: 9 -0.377985543314E+03 -0.29055E-06 -0.91582E-06 2456 0.832E-03 243 T= 6580. E= 0.70201085E+03 F= 0.64758015E+03 E0= 0.67879512E+03 EK= 0.54431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377792845864E+03 0.19270E+00 -0.18827E-01 8496 0.235E+01 0.227E-01 RMM: 2 -0.377804888902E+03 -0.12043E-01 -0.98059E-02 5104 0.669E-01 0.778E-01 RMM: 3 -0.377800053691E+03 0.48352E-02 -0.76808E-03 5437 0.189E-01 0.191E-01 RMM: 4 -0.377800141572E+03 -0.87881E-04 -0.88535E-04 4651 0.686E-02 0.236E-01 RMM: 5 -0.377799830084E+03 0.31149E-03 -0.25585E-04 3909 0.417E-02 0.124E-01 RMM: 6 -0.377799763268E+03 0.66816E-04 -0.11535E-04 3819 0.295E-02 0.730E-02 RMM: 7 -0.377799807109E+03 -0.43841E-04 -0.55531E-05 3331 0.209E-02 0.111E-01 RMM: 8 -0.377799734380E+03 0.72729E-04 -0.30507E-05 2888 0.176E-02 0.262E-02 RMM: 9 -0.377799735665E+03 -0.12850E-05 -0.99627E-06 2451 0.878E-03 244 T= 6312. E= 0.70019550E+03 F= 0.64797637E+03 E0= 0.67920635E+03 EK= 0.52219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377567351110E+03 0.23238E+00 -0.18601E-01 8676 0.232E+01 0.234E-01 RMM: 2 -0.377582172050E+03 -0.14821E-01 -0.97929E-02 5095 0.665E-01 0.102E+00 RMM: 3 -0.377574476240E+03 0.76958E-02 -0.77859E-03 5443 0.192E-01 0.175E-01 RMM: 4 -0.377574616499E+03 -0.14026E-03 -0.98138E-04 4649 0.722E-02 0.247E-01 RMM: 5 -0.377574304756E+03 0.31174E-03 -0.28723E-04 4049 0.450E-02 0.130E-01 RMM: 6 -0.377574221831E+03 0.82925E-04 -0.10285E-04 3751 0.275E-02 0.682E-02 RMM: 7 -0.377574255657E+03 -0.33826E-04 -0.66091E-05 3485 0.224E-02 0.993E-02 RMM: 8 -0.377574197985E+03 0.57671E-04 -0.32314E-05 2983 0.181E-02 0.268E-02 RMM: 9 -0.377574199192E+03 -0.12066E-05 -0.88818E-06 2451 0.820E-03 245 T= 6110. E= 0.69896031E+03 F= 0.64841089E+03 E0= 0.67965077E+03 EK= 0.50549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377331582310E+03 0.24262E+00 -0.18251E-01 8520 0.229E+01 0.230E-01 RMM: 2 -0.377344552684E+03 -0.12970E-01 -0.10588E-01 5146 0.679E-01 0.801E-01 RMM: 3 -0.377339303390E+03 0.52493E-02 -0.81046E-03 5608 0.189E-01 0.178E-01 RMM: 4 -0.377339417875E+03 -0.11448E-03 -0.88486E-04 4662 0.684E-02 0.246E-01 RMM: 5 -0.377339079983E+03 0.33789E-03 -0.25860E-04 3909 0.422E-02 0.118E-01 RMM: 6 -0.377339016016E+03 0.63967E-04 -0.99476E-05 3717 0.276E-02 0.690E-02 RMM: 7 -0.377339066376E+03 -0.50361E-04 -0.59224E-05 3385 0.210E-02 0.114E-01 RMM: 8 -0.377338988811E+03 0.77565E-04 -0.36321E-05 3022 0.190E-02 0.242E-02 RMM: 9 -0.377338991691E+03 -0.28806E-05 -0.10725E-05 2458 0.900E-03 246 T= 6037. E= 0.69879564E+03 F= 0.64885189E+03 E0= 0.68009703E+03 EK= 0.49944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377100658125E+03 0.23833E+00 -0.18350E-01 8616 0.229E+01 0.243E-01 RMM: 2 -0.377116209530E+03 -0.15551E-01 -0.11406E-01 5316 0.687E-01 0.971E-01 RMM: 3 -0.377108766336E+03 0.74432E-02 -0.78050E-03 5623 0.187E-01 0.181E-01 RMM: 4 -0.377108932974E+03 -0.16664E-03 -0.10896E-03 4657 0.752E-02 0.263E-01 RMM: 5 -0.377108550697E+03 0.38228E-03 -0.27497E-04 3918 0.427E-02 0.120E-01 RMM: 6 -0.377108476037E+03 0.74660E-04 -0.79190E-05 3552 0.249E-02 0.607E-02 RMM: 7 -0.377108524335E+03 -0.48298E-04 -0.69422E-05 3522 0.218E-02 0.109E-01 RMM: 8 -0.377108454938E+03 0.69397E-04 -0.37376E-05 3036 0.190E-02 0.263E-02 RMM: 9 -0.377108456258E+03 -0.13201E-05 -0.10528E-05 2457 0.878E-03 247 T= 6115. E= 0.69987042E+03 F= 0.64928268E+03 E0= 0.68052839E+03 EK= 0.50588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376877302107E+03 0.23115E+00 -0.19401E-01 8832 0.232E+01 0.252E-01 RMM: 2 -0.376892933799E+03 -0.15632E-01 -0.12597E-01 5410 0.719E-01 0.892E-01 RMM: 3 -0.376886464999E+03 0.64688E-02 -0.85671E-03 5545 0.195E-01 0.187E-01 RMM: 4 -0.376886699774E+03 -0.23478E-03 -0.10493E-03 4682 0.728E-02 0.284E-01 RMM: 5 -0.376886225970E+03 0.47380E-03 -0.26379E-04 3895 0.405E-02 0.118E-01 RMM: 6 -0.376886151695E+03 0.74275E-04 -0.84492E-05 3592 0.255E-02 0.588E-02 RMM: 7 -0.376886206450E+03 -0.54755E-04 -0.64681E-05 3448 0.207E-02 0.114E-01 RMM: 8 -0.376886129867E+03 0.76583E-04 -0.44684E-05 3106 0.199E-02 0.286E-02 RMM: 9 -0.376886131081E+03 -0.12140E-05 -0.13610E-05 2471 0.102E-02 248 T= 6325. E= 0.70202382E+03 F= 0.64969762E+03 E0= 0.68093897E+03 EK= 0.52326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376664312773E+03 0.22182E+00 -0.20762E-01 8988 0.236E+01 0.260E-01 RMM: 2 -0.376682809597E+03 -0.18497E-01 -0.14280E-01 5384 0.766E-01 0.989E-01 RMM: 3 -0.376674963642E+03 0.78460E-02 -0.94570E-03 5592 0.200E-01 0.193E-01 RMM: 4 -0.376675153867E+03 -0.19022E-03 -0.12393E-03 4685 0.796E-02 0.284E-01 RMM: 5 -0.376674679638E+03 0.47423E-03 -0.29931E-04 3946 0.431E-02 0.112E-01 RMM: 6 -0.376674613103E+03 0.66535E-04 -0.72264E-05 3505 0.237E-02 0.596E-02 RMM: 7 -0.376674663611E+03 -0.50508E-04 -0.70567E-05 3570 0.213E-02 0.112E-01 RMM: 8 -0.376674590666E+03 0.72946E-04 -0.50050E-05 3190 0.201E-02 0.304E-02 RMM: 9 -0.376674591893E+03 -0.12279E-05 -0.15111E-05 2483 0.109E-02 249 T= 6608. E= 0.70475587E+03 F= 0.65009310E+03 E0= 0.68132512E+03 EK= 0.54663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376473668719E+03 0.20092E+00 -0.23033E-01 9036 0.240E+01 0.264E-01 RMM: 2 -0.376494330631E+03 -0.20662E-01 -0.16362E-01 5355 0.820E-01 0.101E+00 RMM: 3 -0.376486255436E+03 0.80752E-02 -0.11276E-02 5521 0.219E-01 0.205E-01 RMM: 4 -0.376486399947E+03 -0.14451E-03 -0.12567E-03 4688 0.792E-02 0.279E-01 RMM: 5 -0.376485952528E+03 0.44742E-03 -0.28686E-04 3923 0.409E-02 0.125E-01 RMM: 6 -0.376485864809E+03 0.87720E-04 -0.83288E-05 3612 0.254E-02 0.571E-02 RMM: 7 -0.376485913064E+03 -0.48255E-04 -0.67167E-05 3480 0.212E-02 0.109E-01 RMM: 8 -0.376485844912E+03 0.68152E-04 -0.58798E-05 3379 0.207E-02 0.350E-02 RMM: 9 -0.376485843386E+03 0.15262E-05 -0.17339E-05 2500 0.119E-02 250 T= 6868. E= 0.70727830E+03 F= 0.65045736E+03 E0= 0.68167558E+03 EK= 0.56821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376332348113E+03 0.15350E+00 -0.25268E-01 8988 0.243E+01 0.250E-01 RMM: 2 -0.376353685899E+03 -0.21338E-01 -0.17699E-01 5386 0.846E-01 0.939E-01 RMM: 3 -0.376346155395E+03 0.75305E-02 -0.11341E-02 5610 0.214E-01 0.185E-01 RMM: 4 -0.376346280277E+03 -0.12488E-03 -0.12204E-03 4693 0.784E-02 0.269E-01 RMM: 5 -0.376345846603E+03 0.43367E-03 -0.28629E-04 3943 0.414E-02 0.106E-01 RMM: 6 -0.376345791750E+03 0.54853E-04 -0.68997E-05 3463 0.230E-02 0.618E-02 RMM: 7 -0.376345840422E+03 -0.48672E-04 -0.78047E-05 3710 0.224E-02 0.110E-01 RMM: 8 -0.376345769521E+03 0.70901E-04 -0.53046E-05 3241 0.200E-02 0.326E-02 RMM: 9 -0.376345769073E+03 0.44788E-06 -0.15744E-05 2488 0.112E-02 251 T= 7009. E= 0.70874713E+03 F= 0.65076601E+03 E0= 0.68196738E+03 EK= 0.57981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376275221834E+03 0.70548E-01 -0.26433E-01 8880 0.243E+01 0.241E-01 RMM: 2 -0.376297595883E+03 -0.22374E-01 -0.18221E-01 5378 0.849E-01 0.965E-01 RMM: 3 -0.376289543934E+03 0.80519E-02 -0.11382E-02 5510 0.222E-01 0.198E-01 RMM: 4 -0.376289582617E+03 -0.38684E-04 -0.11542E-03 4698 0.751E-02 0.241E-01 RMM: 5 -0.376289266073E+03 0.31654E-03 -0.25329E-04 3904 0.384E-02 0.123E-01 RMM: 6 -0.376289184520E+03 0.81552E-04 -0.82966E-05 3611 0.254E-02 0.590E-02 RMM: 7 -0.376289241407E+03 -0.56887E-04 -0.80568E-05 3739 0.232E-02 0.112E-01 RMM: 8 -0.376289165089E+03 0.76318E-04 -0.51833E-05 3219 0.198E-02 0.325E-02 RMM: 9 -0.376289162819E+03 0.22694E-05 -0.15274E-05 2483 0.112E-02 252 T= 6972. E= 0.70866135E+03 F= 0.65098639E+03 E0= 0.68217045E+03 EK= 0.57675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376340496029E+03 -0.51331E-01 -0.26950E-01 8856 0.240E+01 0.225E-01 RMM: 2 -0.376362027331E+03 -0.21531E-01 -0.18025E-01 5460 0.839E-01 0.902E-01 RMM: 3 -0.376354651820E+03 0.73755E-02 -0.10308E-02 5531 0.213E-01 0.185E-01 RMM: 4 -0.376354669484E+03 -0.17665E-04 -0.10818E-03 4726 0.721E-02 0.217E-01 RMM: 5 -0.376354375829E+03 0.29366E-03 -0.23357E-04 3891 0.377E-02 0.908E-02 RMM: 6 -0.376354353945E+03 0.21884E-04 -0.71177E-05 3497 0.233E-02 0.740E-02 RMM: 7 -0.376354398333E+03 -0.44387E-04 -0.82596E-05 3811 0.230E-02 0.113E-01 RMM: 8 -0.376354321217E+03 0.77116E-04 -0.45049E-05 3167 0.194E-02 0.292E-02 RMM: 9 -0.376354320953E+03 0.26393E-06 -0.11838E-05 2469 0.952E-03 253 T= 6777. E= 0.70714978E+03 F= 0.65108234E+03 E0= 0.68225226E+03 EK= 0.56067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376561983015E+03 -0.20766E+00 -0.26532E-01 8904 0.237E+01 0.219E-01 RMM: 2 -0.376582136287E+03 -0.20153E-01 -0.16961E-01 5488 0.835E-01 0.869E-01 RMM: 3 -0.376575549164E+03 0.65871E-02 -0.10141E-02 5541 0.211E-01 0.188E-01 RMM: 4 -0.376575480113E+03 0.69051E-04 -0.92717E-04 4687 0.669E-02 0.193E-01 RMM: 5 -0.376575279373E+03 0.20074E-03 -0.20723E-04 3894 0.358E-02 0.113E-01 RMM: 6 -0.376575226306E+03 0.53068E-04 -0.88535E-05 3668 0.259E-02 0.706E-02 RMM: 7 -0.376575290577E+03 -0.64271E-04 -0.83885E-05 3762 0.237E-02 0.123E-01 RMM: 8 -0.376575195811E+03 0.94766E-04 -0.48996E-05 3218 0.201E-02 0.271E-02 RMM: 9 -0.376575196876E+03 -0.10656E-05 -0.12527E-05 2471 0.979E-03 254 T= 6510. E= 0.70487663E+03 F= 0.65102134E+03 E0= 0.68218336E+03 EK= 0.53855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376966391400E+03 -0.39120E+00 -0.24243E-01 8868 0.233E+01 0.231E-01 RMM: 2 -0.376986851806E+03 -0.20460E-01 -0.15214E-01 5534 0.796E-01 0.103E+00 RMM: 3 -0.376978284397E+03 0.85674E-02 -0.92195E-03 5582 0.200E-01 0.198E-01 RMM: 4 -0.376978165335E+03 0.11906E-03 -0.95171E-04 4679 0.688E-02 0.181E-01 RMM: 5 -0.376977971277E+03 0.19406E-03 -0.20640E-04 3891 0.361E-02 0.101E-01 RMM: 6 -0.376977938021E+03 0.33255E-04 -0.75985E-05 3552 0.242E-02 0.761E-02 RMM: 7 -0.376977983335E+03 -0.45314E-04 -0.86367E-05 3839 0.238E-02 0.115E-01 RMM: 8 -0.376977902792E+03 0.80543E-04 -0.44112E-05 3171 0.196E-02 0.296E-02 RMM: 9 -0.376977902291E+03 0.50135E-06 -0.11106E-05 2465 0.925E-03 255 T= 6272. E= 0.70266015E+03 F= 0.65077763E+03 E0= 0.68194007E+03 EK= 0.51883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377570897304E+03 -0.59299E+00 -0.21792E-01 8916 0.231E+01 0.248E-01 RMM: 2 -0.377590144526E+03 -0.19247E-01 -0.13782E-01 5481 0.768E-01 0.107E+00 RMM: 3 -0.377581538187E+03 0.86063E-02 -0.95425E-03 5614 0.204E-01 0.214E-01 RMM: 4 -0.377581363473E+03 0.17471E-03 -0.96856E-04 4675 0.680E-02 0.182E-01 RMM: 5 -0.377581205518E+03 0.15796E-03 -0.20962E-04 3893 0.358E-02 0.126E-01 RMM: 6 -0.377581126845E+03 0.78673E-04 -0.10052E-04 3772 0.278E-02 0.675E-02 RMM: 7 -0.377581193631E+03 -0.66786E-04 -0.80831E-05 3650 0.235E-02 0.123E-01 RMM: 8 -0.377581104013E+03 0.89618E-04 -0.51621E-05 3242 0.209E-02 0.430E-02 RMM: 9 -0.377581095933E+03 0.80795E-05 -0.14299E-05 2489 0.108E-02 256 T= 6141. E= 0.70113122E+03 F= 0.65033182E+03 E0= 0.68150327E+03 EK= 0.50799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378384789052E+03 -0.80369E+00 -0.20082E-01 8928 0.230E+01 0.252E-01 RMM: 2 -0.378405729705E+03 -0.20941E-01 -0.13079E-01 5370 0.761E-01 0.122E+00 RMM: 3 -0.378394934767E+03 0.10795E-01 -0.10139E-02 5538 0.211E-01 0.199E-01 RMM: 4 -0.378394865588E+03 0.69179E-04 -0.10518E-03 4683 0.716E-02 0.203E-01 RMM: 5 -0.378394636630E+03 0.22896E-03 -0.21283E-04 3893 0.364E-02 0.114E-01 RMM: 6 -0.378394574240E+03 0.62390E-04 -0.76856E-05 3555 0.243E-02 0.680E-02 RMM: 7 -0.378394624116E+03 -0.49876E-04 -0.92677E-05 3856 0.247E-02 0.113E-01 RMM: 8 -0.378394547922E+03 0.76195E-04 -0.46553E-05 3200 0.202E-02 0.356E-02 RMM: 9 -0.378394544049E+03 0.38722E-05 -0.12024E-05 2476 0.981E-03 257 T= 6155. E= 0.70058905E+03 F= 0.64967265E+03 E0= 0.68086059E+03 EK= 0.50916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379404128015E+03 -0.10096E+01 -0.18715E-01 8700 0.232E+01 0.261E-01 RMM: 2 -0.379422388233E+03 -0.18260E-01 -0.11751E-01 5346 0.735E-01 0.116E+00 RMM: 3 -0.379413031522E+03 0.93567E-02 -0.97508E-03 5553 0.209E-01 0.213E-01 RMM: 4 -0.379412945615E+03 0.85906E-04 -0.10943E-03 4669 0.727E-02 0.208E-01 RMM: 5 -0.379412731608E+03 0.21401E-03 -0.21842E-04 3894 0.355E-02 0.131E-01 RMM: 6 -0.379412631902E+03 0.99706E-04 -0.84760E-05 3593 0.261E-02 0.528E-02 RMM: 7 -0.379412677062E+03 -0.45160E-04 -0.59230E-05 3367 0.207E-02 0.102E-01 RMM: 8 -0.379412614306E+03 0.62756E-04 -0.42920E-05 3015 0.189E-02 0.348E-02 RMM: 9 -0.379412610341E+03 0.39658E-05 -0.13451E-05 2470 0.105E-02 258 T= 6308. E= 0.70098492E+03 F= 0.64880418E+03 E0= 0.68001372E+03 EK= 0.52181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380596086999E+03 -0.11835E+01 -0.18275E-01 8412 0.236E+01 0.260E-01 RMM: 2 -0.380614088019E+03 -0.18001E-01 -0.10067E-01 5420 0.688E-01 0.124E+00 RMM: 3 -0.380603500693E+03 0.10587E-01 -0.83180E-03 5535 0.192E-01 0.191E-01 RMM: 4 -0.380603577379E+03 -0.76686E-04 -0.10976E-03 4628 0.746E-02 0.239E-01 RMM: 5 -0.380603253510E+03 0.32387E-03 -0.23063E-04 3890 0.374E-02 0.120E-01 RMM: 6 -0.380603167504E+03 0.86006E-04 -0.65972E-05 3436 0.231E-02 0.479E-02 RMM: 7 -0.380603202327E+03 -0.34823E-04 -0.65524E-05 3519 0.214E-02 0.929E-02 RMM: 8 -0.380603150671E+03 0.51656E-04 -0.36935E-05 2922 0.179E-02 0.309E-02 RMM: 9 -0.380603149612E+03 0.10594E-05 -0.12381E-05 2470 0.986E-03 259 T= 6549. E= 0.70193358E+03 F= 0.64775746E+03 E0= 0.67899092E+03 EK= 0.54176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381891122461E+03 -0.12880E+01 -0.19003E-01 8148 0.241E+01 0.258E-01 RMM: 2 -0.381905468851E+03 -0.14346E-01 -0.96277E-02 5345 0.690E-01 0.104E+00 RMM: 3 -0.381898193674E+03 0.72752E-02 -0.82460E-03 5515 0.192E-01 0.198E-01 RMM: 4 -0.381898314602E+03 -0.12093E-03 -0.10461E-03 4639 0.730E-02 0.257E-01 RMM: 5 -0.381897942610E+03 0.37199E-03 -0.23395E-04 3892 0.373E-02 0.121E-01 RMM: 6 -0.381897853818E+03 0.88793E-04 -0.71490E-05 3477 0.243E-02 0.429E-02 RMM: 7 -0.381897875797E+03 -0.21979E-04 -0.36372E-05 2853 0.169E-02 0.789E-02 RMM: 8 -0.381897839091E+03 0.36706E-04 -0.37390E-05 2694 0.173E-02 0.310E-02 RMM: 9 -0.381897838271E+03 0.81993E-06 -0.13859E-05 2459 0.107E-02 260 T= 6790. E= 0.70276998E+03 F= 0.64660059E+03 E0= 0.67785722E+03 EK= 0.56169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383191942768E+03 -0.12941E+01 -0.19541E-01 8448 0.244E+01 0.252E-01 RMM: 2 -0.383206716298E+03 -0.14774E-01 -0.93392E-02 5386 0.676E-01 0.108E+00 RMM: 3 -0.383198725570E+03 0.79907E-02 -0.74496E-03 5515 0.182E-01 0.192E-01 RMM: 4 -0.383198843781E+03 -0.11821E-03 -0.10849E-03 4630 0.758E-02 0.248E-01 RMM: 5 -0.383198487413E+03 0.35637E-03 -0.24534E-04 3898 0.395E-02 0.116E-01 RMM: 6 -0.383198402356E+03 0.85056E-04 -0.57887E-05 3344 0.221E-02 0.436E-02 RMM: 7 -0.383198416938E+03 -0.14582E-04 -0.39599E-05 2953 0.178E-02 261 T= 6929. E= 0.70275323E+03 F= 0.64543250E+03 E0= 0.67670893E+03 EK= 0.57321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384392141605E+03 -0.11937E+01 -0.19954E-01 8808 0.245E+01 0.255E-01 RMM: 2 -0.384407743364E+03 -0.15602E-01 -0.10131E-01 5463 0.686E-01 0.109E+00 RMM: 3 -0.384399409294E+03 0.83341E-02 -0.73615E-03 5485 0.186E-01 0.243E-01 RMM: 4 -0.384399239295E+03 0.17000E-03 -0.11024E-03 4640 0.748E-02 0.200E-01 RMM: 5 -0.384399042317E+03 0.19698E-03 -0.20692E-04 3888 0.351E-02 0.123E-01 RMM: 6 -0.384398956748E+03 0.85570E-04 -0.59605E-05 3373 0.229E-02 0.507E-02 RMM: 7 -0.384398977532E+03 -0.20784E-04 -0.45266E-05 3093 0.183E-02 0.788E-02 RMM: 8 -0.384398949638E+03 0.27893E-04 -0.49916E-05 3061 0.192E-02 0.471E-02 RMM: 9 -0.384398939910E+03 0.97278E-05 -0.15620E-05 2495 0.115E-02 262 T= 6899. E= 0.70143207E+03 F= 0.64436031E+03 E0= 0.67565224E+03 EK= 0.57072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385406132762E+03 -0.10072E+01 -0.20428E-01 8796 0.242E+01 0.251E-01 RMM: 2 -0.385423367471E+03 -0.17235E-01 -0.11452E-01 5453 0.694E-01 0.111E+00 RMM: 3 -0.385414268500E+03 0.90990E-02 -0.80978E-03 5406 0.196E-01 0.196E-01 RMM: 4 -0.385414395498E+03 -0.12700E-03 -0.10792E-03 4680 0.711E-02 0.251E-01 RMM: 5 -0.385414004696E+03 0.39080E-03 -0.20791E-04 3897 0.354E-02 0.979E-02 RMM: 6 -0.385413950981E+03 0.53715E-04 -0.54029E-05 3272 0.214E-02 0.485E-02 RMM: 7 -0.385413971910E+03 -0.20929E-04 -0.42833E-05 2985 0.178E-02 0.822E-02 RMM: 8 -0.385413934033E+03 0.37877E-04 -0.48411E-05 3014 0.186E-02 0.325E-02 RMM: 9 -0.385413932603E+03 0.14297E-05 -0.15612E-05 2473 0.111E-02 263 T= 6705. E= 0.69894004E+03 F= 0.64347068E+03 E0= 0.67477341E+03 EK= 0.55469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386189818086E+03 -0.77588E+00 -0.21045E-01 8712 0.237E+01 0.223E-01 RMM: 2 -0.386205880878E+03 -0.16063E-01 -0.11675E-01 5460 0.687E-01 0.960E-01 RMM: 3 -0.386198343202E+03 0.75377E-02 -0.74860E-03 5456 0.186E-01 0.204E-01 RMM: 4 -0.386198233652E+03 0.10955E-03 -0.92927E-04 4666 0.668E-02 0.180E-01 RMM: 5 -0.386198073972E+03 0.15968E-03 -0.17171E-04 3887 0.329E-02 0.116E-01 RMM: 6 -0.386198001737E+03 0.72235E-04 -0.54057E-05 3270 0.217E-02 0.532E-02 RMM: 7 -0.386198056539E+03 -0.54801E-04 -0.73522E-05 3594 0.210E-02 0.111E-01 RMM: 8 -0.386197985886E+03 0.70653E-04 -0.50068E-05 3211 0.203E-02 0.350E-02 RMM: 9 -0.386197982192E+03 0.36939E-05 -0.13328E-05 2475 0.102E-02 264 T= 6423. E= 0.69594382E+03 F= 0.64280963E+03 E0= 0.67411990E+03 EK= 0.53134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386740357676E+03 -0.54237E+00 -0.20859E-01 8652 0.232E+01 0.213E-01 RMM: 2 -0.386755753053E+03 -0.15395E-01 -0.11916E-01 5455 0.682E-01 0.879E-01 RMM: 3 -0.386749168308E+03 0.65847E-02 -0.75006E-03 5448 0.187E-01 0.190E-01 RMM: 4 -0.386749086398E+03 0.81910E-04 -0.83035E-04 4695 0.618E-02 0.173E-01 RMM: 5 -0.386748936288E+03 0.15011E-03 -0.15316E-04 3885 0.314E-02 0.107E-01 RMM: 6 -0.386748875030E+03 0.61258E-04 -0.55374E-05 3301 0.216E-02 0.567E-02 RMM: 7 -0.386748921094E+03 -0.46064E-04 -0.60774E-05 3428 0.206E-02 0.103E-01 RMM: 8 -0.386748861824E+03 0.59270E-04 -0.46744E-05 3106 0.190E-02 0.380E-02 RMM: 9 -0.386748856905E+03 0.49196E-05 -0.13953E-05 2473 0.105E-02 265 T= 6154. E= 0.69328815E+03 F= 0.64237913E+03 E0= 0.67369513E+03 EK= 0.50909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387083482463E+03 -0.33462E+00 -0.21314E-01 8640 0.228E+01 0.218E-01 RMM: 2 -0.387101141920E+03 -0.17659E-01 -0.12281E-01 5457 0.691E-01 0.103E+00 RMM: 3 -0.387092802020E+03 0.83399E-02 -0.77100E-03 5438 0.187E-01 0.212E-01 RMM: 4 -0.387092588696E+03 0.21332E-03 -0.88838E-04 4689 0.646E-02 0.143E-01 RMM: 5 -0.387092525369E+03 0.63327E-04 -0.15275E-04 3890 0.308E-02 0.123E-01 RMM: 6 -0.387092442615E+03 0.82755E-04 -0.56635E-05 3319 0.220E-02 0.525E-02 RMM: 7 -0.387092494916E+03 -0.52301E-04 -0.65056E-05 3475 0.208E-02 0.106E-01 RMM: 8 -0.387092435171E+03 0.59744E-04 -0.47826E-05 3132 0.199E-02 0.416E-02 RMM: 9 -0.387092428027E+03 0.71441E-05 -0.13522E-05 2476 0.102E-02 266 T= 5984. E= 0.69165304E+03 F= 0.64215217E+03 E0= 0.67347324E+03 EK= 0.49501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387255052891E+03 -0.16262E+00 -0.22740E-01 8904 0.226E+01 0.208E-01 RMM: 2 -0.387271736180E+03 -0.16683E-01 -0.12869E-01 5444 0.707E-01 0.895E-01 RMM: 3 -0.387265077746E+03 0.66584E-02 -0.80883E-03 5462 0.190E-01 0.200E-01 RMM: 4 -0.387264906697E+03 0.17105E-03 -0.80975E-04 4739 0.598E-02 0.142E-01 RMM: 5 -0.387264823857E+03 0.82840E-04 -0.13723E-04 3890 0.291E-02 0.106E-01 RMM: 6 -0.387264765515E+03 0.58342E-04 -0.49966E-05 3228 0.202E-02 0.544E-02 RMM: 7 -0.387264814688E+03 -0.49173E-04 -0.59225E-05 3416 0.199E-02 0.103E-01 RMM: 8 -0.387264756345E+03 0.58343E-04 -0.46998E-05 3120 0.194E-02 0.365E-02 RMM: 9 -0.387264751854E+03 0.44919E-05 -0.13504E-05 2465 0.102E-02 267 T= 5961. E= 0.69140571E+03 F= 0.64209102E+03 E0= 0.67341710E+03 EK= 0.49315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387288450531E+03 -0.23694E-01 -0.24701E-01 8976 0.227E+01 0.223E-01 RMM: 2 -0.387307662234E+03 -0.19212E-01 -0.13473E-01 5431 0.727E-01 0.106E+00 RMM: 3 -0.387298992884E+03 0.86693E-02 -0.87235E-03 5509 0.195E-01 0.224E-01 RMM: 4 -0.387298698938E+03 0.29395E-03 -0.93425E-04 4682 0.658E-02 0.128E-01 RMM: 5 -0.387298663993E+03 0.34945E-04 -0.14827E-04 3889 0.293E-02 0.118E-01 RMM: 6 -0.387298586304E+03 0.77689E-04 -0.47194E-05 3173 0.200E-02 0.490E-02 RMM: 7 -0.387298631783E+03 -0.45479E-04 -0.58959E-05 3401 0.198E-02 0.989E-02 RMM: 8 -0.387298583997E+03 0.47786E-04 -0.46920E-05 3086 0.194E-02 0.413E-02 RMM: 9 -0.387298576709E+03 0.72874E-05 -0.13883E-05 2467 0.103E-02 268 T= 6096. E= 0.69259007E+03 F= 0.64216133E+03 E0= 0.67349201E+03 EK= 0.50429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387217023949E+03 0.81560E-01 -0.26160E-01 8964 0.230E+01 0.206E-01 RMM: 2 -0.387233622962E+03 -0.16599E-01 -0.13239E-01 5694 0.707E-01 0.855E-01 RMM: 3 -0.387227391358E+03 0.62316E-02 -0.71632E-03 5454 0.180E-01 0.188E-01 RMM: 4 -0.387227278273E+03 0.11308E-03 -0.77819E-04 4734 0.571E-02 0.147E-01 RMM: 5 -0.387227177523E+03 0.10075E-03 -0.12634E-04 3876 0.267E-02 0.999E-02 RMM: 6 -0.387227126592E+03 0.50931E-04 -0.40682E-05 3073 0.184E-02 0.530E-02 RMM: 7 -0.387227166586E+03 -0.39994E-04 -0.54278E-05 3326 0.191E-02 0.949E-02 RMM: 8 -0.387227118296E+03 0.48290E-04 -0.50883E-05 3177 0.190E-02 0.352E-02 RMM: 9 -0.387227114348E+03 0.39487E-05 -0.14189E-05 2464 0.106E-02 269 T= 6357. E= 0.69492107E+03 F= 0.64232882E+03 E0= 0.67366322E+03 EK= 0.52592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387081660179E+03 0.14546E+00 -0.27534E-01 8988 0.235E+01 0.212E-01 RMM: 2 -0.387100156027E+03 -0.18496E-01 -0.13808E-01 5590 0.745E-01 0.981E-01 RMM: 3 -0.387092785277E+03 0.73708E-02 -0.80640E-03 5517 0.186E-01 0.215E-01 RMM: 4 -0.387092549307E+03 0.23597E-03 -0.87182E-04 4664 0.638E-02 0.135E-01 RMM: 5 -0.387092476033E+03 0.73274E-04 -0.13725E-04 3899 0.271E-02 0.101E-01 RMM: 6 -0.387092424779E+03 0.51254E-04 -0.38025E-05 3008 0.181E-02 0.533E-02 RMM: 7 -0.387092463631E+03 -0.38853E-04 -0.56883E-05 3367 0.197E-02 0.946E-02 RMM: 8 -0.387092417710E+03 0.45921E-04 -0.48215E-05 3062 0.189E-02 0.388E-02 RMM: 9 -0.387092412823E+03 0.48879E-05 -0.14609E-05 2472 0.107E-02 270 T= 6674. E= 0.69776639E+03 F= 0.64255126E+03 E0= 0.67388760E+03 EK= 0.55215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386949666027E+03 0.14275E+00 -0.27702E-01 8844 0.239E+01 0.221E-01 RMM: 2 -0.386968145608E+03 -0.18480E-01 -0.13922E-01 5584 0.772E-01 0.969E-01 RMM: 3 -0.386961112647E+03 0.70330E-02 -0.90087E-03 5443 0.200E-01 0.199E-01 RMM: 4 -0.386960945957E+03 0.16669E-03 -0.85366E-04 4751 0.600E-02 0.140E-01 RMM: 5 -0.386960849985E+03 0.95972E-04 -0.12945E-04 3897 0.265E-02 0.977E-02 RMM: 6 -0.386960806274E+03 0.43711E-04 -0.37627E-05 3039 0.175E-02 0.577E-02 RMM: 7 -0.386960844883E+03 -0.38610E-04 -0.51438E-05 3245 0.191E-02 0.964E-02 RMM: 8 -0.386960794041E+03 0.50843E-04 -0.53292E-05 3187 0.192E-02 0.344E-02 RMM: 9 -0.386960791853E+03 0.21879E-05 -0.16280E-05 2487 0.115E-02 271 T= 6945. E= 0.70021312E+03 F= 0.64276290E+03 E0= 0.67409906E+03 EK= 0.57450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386911597682E+03 0.49196E-01 -0.26007E-01 8724 0.242E+01 0.237E-01 RMM: 2 -0.386933149073E+03 -0.21551E-01 -0.13975E-01 5528 0.798E-01 0.120E+00 RMM: 3 -0.386923324601E+03 0.98245E-02 -0.98402E-03 5407 0.213E-01 0.263E-01 RMM: 4 -0.386922928158E+03 0.39644E-03 -0.10788E-03 4683 0.697E-02 0.122E-01 RMM: 5 -0.386922865517E+03 0.62641E-04 -0.14933E-04 4009 0.273E-02 0.986E-02 RMM: 6 -0.386922819059E+03 0.46458E-04 -0.35243E-05 2932 0.175E-02 0.578E-02 RMM: 7 -0.386922858526E+03 -0.39466E-04 -0.54729E-05 3312 0.197E-02 0.101E-01 RMM: 8 -0.386922804819E+03 0.53707E-04 -0.52943E-05 3183 0.194E-02 0.381E-02 RMM: 9 -0.386922801331E+03 0.34881E-05 -0.16032E-05 2487 0.113E-02 272 T= 7069. E= 0.70135726E+03 F= 0.64287430E+03 E0= 0.67420820E+03 EK= 0.58483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387054160691E+03 -0.13136E+00 -0.22182E-01 8808 0.242E+01 0.234E-01 RMM: 2 -0.387073676418E+03 -0.19516E-01 -0.12422E-01 5506 0.761E-01 0.116E+00 RMM: 3 -0.387064379297E+03 0.92971E-02 -0.93997E-03 5374 0.214E-01 0.232E-01 RMM: 4 -0.387064118021E+03 0.26128E-03 -0.97636E-04 4723 0.640E-02 0.130E-01 RMM: 5 -0.387064046225E+03 0.71796E-04 -0.13633E-04 3910 0.285E-02 0.102E-01 RMM: 6 -0.387063991225E+03 0.55000E-04 -0.35754E-05 2982 0.175E-02 0.542E-02 RMM: 7 -0.387064016717E+03 -0.25493E-04 -0.39300E-05 2932 0.177E-02 0.861E-02 RMM: 8 -0.387063975387E+03 0.41331E-04 -0.49490E-05 2943 0.181E-02 0.334E-02 RMM: 9 -0.387063974002E+03 0.13841E-05 -0.16571E-05 2484 0.119E-02 273 T= 7004. E= 0.70074124E+03 F= 0.64280109E+03 E0= 0.67413119E+03 EK= 0.57940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387414116416E+03 -0.35014E+00 -0.18494E-01 8568 0.239E+01 0.218E-01 RMM: 2 -0.387431599861E+03 -0.17483E-01 -0.10262E-01 5394 0.699E-01 0.116E+00 RMM: 3 -0.387422314123E+03 0.92857E-02 -0.79443E-03 5378 0.197E-01 0.201E-01 RMM: 4 -0.387422123935E+03 0.19019E-03 -0.87923E-04 4680 0.627E-02 0.128E-01 RMM: 5 -0.387422045137E+03 0.78798E-04 -0.11827E-04 3877 0.259E-02 0.946E-02 RMM: 6 -0.387421996968E+03 0.48169E-04 -0.33240E-05 2856 0.173E-02 0.489E-02 RMM: 7 -0.387422023372E+03 -0.26404E-04 -0.47236E-05 3157 0.188E-02 0.872E-02 RMM: 8 -0.387421978636E+03 0.44736E-04 -0.38715E-05 2779 0.172E-02 0.281E-02 RMM: 9 -0.387421979589E+03 -0.95343E-06 -0.13207E-05 2461 0.103E-02 274 T= 6781. E= 0.69860582E+03 F= 0.64250648E+03 E0= 0.67383147E+03 EK= 0.56099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387955480258E+03 -0.53350E+00 -0.15915E-01 8184 0.235E+01 0.208E-01 RMM: 2 -0.387969267202E+03 -0.13787E-01 -0.81212E-02 5254 0.631E-01 0.106E+00 RMM: 3 -0.387961634590E+03 0.76326E-02 -0.68212E-03 5367 0.184E-01 0.217E-01 RMM: 4 -0.387961391574E+03 0.24302E-03 -0.76224E-04 4667 0.598E-02 0.116E-01 RMM: 5 -0.387961334243E+03 0.57331E-04 -0.11996E-04 3872 0.271E-02 0.936E-02 RMM: 6 -0.387961283480E+03 0.50763E-04 -0.32478E-05 2917 0.173E-02 0.389E-02 RMM: 7 -0.387961299478E+03 -0.15999E-04 -0.28875E-05 2588 0.153E-02 275 T= 6491. E= 0.69572301E+03 F= 0.64202631E+03 E0= 0.67334513E+03 EK= 0.53697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.388588604066E+03 -0.62732E+00 -0.15354E-01 8448 0.231E+01 0.202E-01 RMM: 2 -0.388599393695E+03 -0.10790E-01 -0.69715E-02 5266 0.604E-01 0.899E-01 RMM: 3 -0.388593902726E+03 0.54910E-02 -0.61701E-03 5395 0.171E-01 0.180E-01 RMM: 4 -0.388593744300E+03 0.15843E-03 -0.62171E-04 4654 0.538E-02 0.121E-01 RMM: 5 -0.388593672114E+03 0.72186E-04 -0.97897E-05 3790 0.251E-02 0.784E-02 RMM: 6 -0.388593642174E+03 0.29941E-04 -0.26449E-05 2653 0.156E-02 0.429E-02 RMM: 7 -0.388593665646E+03 -0.23473E-04 -0.32534E-05 2745 0.160E-02 0.784E-02 RMM: 8 -0.388593631586E+03 0.34061E-04 -0.35803E-05 2732 0.170E-02 0.247E-02 RMM: 9 -0.388593634322E+03 -0.27366E-05 -0.12303E-05 2451 0.101E-02 276 T= 6229. E= 0.69298138E+03 F= 0.64144859E+03 E0= 0.67276078E+03 EK= 0.51533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.389213771663E+03 -0.62014E+00 -0.15029E-01 8700 0.228E+01 0.212E-01 RMM: 2 -0.389225904894E+03 -0.12133E-01 -0.72764E-02 5324 0.605E-01 0.990E-01 RMM: 3 -0.389219255214E+03 0.66497E-02 -0.61444E-03 5427 0.168E-01 0.207E-01 RMM: 4 -0.389219049520E+03 0.20569E-03 -0.71406E-04 4617 0.587E-02 0.136E-01 RMM: 5 -0.389218960544E+03 0.88976E-04 -0.12395E-04 3858 0.278E-02 0.915E-02 RMM: 6 -0.389218911305E+03 0.49239E-04 -0.33841E-05 2968 0.179E-02 0.342E-02 RMM: 7 -0.389218920210E+03 -0.89047E-05 -0.20195E-05 2530 0.121E-02 277 T= 6067. E= 0.69106268E+03 F= 0.64087264E+03 E0= 0.67217661E+03 EK= 0.50190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.389744394378E+03 -0.52548E+00 -0.14723E-01 8940 0.227E+01 0.184E-01 RMM: 2 -0.389754198765E+03 -0.98044E-02 -0.70023E-02 5380 0.588E-01 0.795E-01 RMM: 3 -0.389749896558E+03 0.43022E-02 -0.60008E-03 5488 0.161E-01 0.170E-01 RMM: 4 -0.389749752089E+03 0.14447E-03 -0.54507E-04 4617 0.495E-02 0.114E-01 RMM: 5 -0.389749675795E+03 0.76294E-04 -0.83429E-05 3683 0.232E-02 0.673E-02 RMM: 6 -0.389749661317E+03 0.14477E-04 -0.21588E-05 2558 0.140E-02 278 T= 6037. E= 0.69033075E+03 F= 0.64038506E+03 E0= 0.67167805E+03 EK= 0.49946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.390110625938E+03 -0.36095E+00 -0.14809E-01 8664 0.228E+01 0.258E-01 RMM: 2 -0.390132406845E+03 -0.21781E-01 -0.79798E-02 5288 0.617E-01 0.155E+00 RMM: 3 -0.390116726091E+03 0.15681E-01 -0.94949E-03 5334 0.225E-01 0.262E-01 RMM: 4 -0.390116343957E+03 0.38213E-03 -0.10616E-03 4673 0.648E-02 0.115E-01 RMM: 5 -0.390116276796E+03 0.67161E-04 -0.13423E-04 3890 0.293E-02 0.887E-02 RMM: 6 -0.390116237034E+03 0.39762E-04 -0.30802E-05 2801 0.165E-02 0.567E-02 RMM: 7 -0.390116259925E+03 -0.22891E-04 -0.58240E-05 3382 0.202E-02 0.890E-02 RMM: 8 -0.390116214890E+03 0.45036E-04 -0.72938E-05 3713 0.195E-02 0.342E-02 RMM: 9 -0.390116217666E+03 -0.27764E-05 -0.19207E-05 2519 0.126E-02 279 T= 6139. E= 0.69083749E+03 F= 0.64005476E+03 E0= 0.67133499E+03 EK= 0.50783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.390252922989E+03 -0.13671E+00 -0.15337E-01 8760 0.231E+01 0.270E-01 RMM: 2 -0.390272953360E+03 -0.20030E-01 -0.81292E-02 5285 0.627E-01 0.147E+00 RMM: 3 -0.390258903926E+03 0.14049E-01 -0.92485E-03 5340 0.221E-01 0.277E-01 RMM: 4 -0.390258515589E+03 0.38834E-03 -0.12625E-03 4637 0.756E-02 0.153E-01 RMM: 5 -0.390258437447E+03 0.78142E-04 -0.19685E-04 3878 0.362E-02 0.124E-01 RMM: 6 -0.390258340390E+03 0.97057E-04 -0.55603E-05 3323 0.220E-02 0.354E-02 RMM: 7 -0.390258342114E+03 -0.17248E-05 -0.20196E-05 2525 0.129E-02 280 T= 6335. E= 0.69235106E+03 F= 0.63994167E+03 E0= 0.67120522E+03 EK= 0.52409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.390120937294E+03 0.13740E+00 -0.16219E-01 8448 0.235E+01 0.191E-01 RMM: 2 -0.390136438660E+03 -0.15501E-01 -0.82459E-02 5299 0.608E-01 0.114E+00 RMM: 3 -0.390127263863E+03 0.91748E-02 -0.69362E-03 5408 0.179E-01 0.167E-01 RMM: 4 -0.390127096449E+03 0.16741E-03 -0.66683E-04 4741 0.512E-02 0.957E-02 RMM: 5 -0.390127040437E+03 0.56012E-04 -0.83158E-05 3690 0.237E-02 0.757E-02 RMM: 6 -0.390127014784E+03 0.25653E-04 -0.25961E-05 2583 0.148E-02 0.566E-02 RMM: 7 -0.390127027526E+03 -0.12742E-04 -0.78334E-05 3718 0.206E-02 281 T= 6562. E= 0.69438360E+03 F= 0.64009489E+03 E0= 0.67133955E+03 EK= 0.54289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.389689782383E+03 0.43723E+00 -0.16839E-01 8604 0.238E+01 0.173E-01 RMM: 2 -0.389700105562E+03 -0.10323E-01 -0.77763E-02 5267 0.594E-01 0.775E-01 RMM: 3 -0.389695678986E+03 0.44266E-02 -0.60078E-03 5732 0.155E-01 0.147E-01 RMM: 4 -0.389695615295E+03 0.63691E-04 -0.55242E-04 4632 0.528E-02 0.153E-01 RMM: 5 -0.389695468566E+03 0.14673E-03 -0.10609E-04 3751 0.269E-02 0.634E-02 RMM: 6 -0.389695447051E+03 0.21515E-04 -0.21274E-05 2567 0.141E-02 0.335E-02 RMM: 7 -0.389695448774E+03 -0.17234E-05 -0.16455E-05 2506 0.111E-02 282 T= 6740. E= 0.69629675E+03 F= 0.64054163E+03 E0= 0.67176474E+03 EK= 0.55755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.388970462824E+03 0.72498E+00 -0.17042E-01 8148 0.240E+01 0.165E-01 RMM: 2 -0.388982720851E+03 -0.12258E-01 -0.82773E-02 5290 0.606E-01 0.883E-01 RMM: 3 -0.388976915897E+03 0.58050E-02 -0.63753E-03 5498 0.166E-01 0.146E-01 RMM: 4 -0.388976799001E+03 0.11690E-03 -0.52925E-04 4628 0.471E-02 0.101E-01 RMM: 5 -0.388976728850E+03 0.70150E-04 -0.69066E-05 3476 0.219E-02 0.714E-02 RMM: 6 -0.388976704832E+03 0.24018E-04 -0.25872E-05 2590 0.152E-02 0.494E-02 RMM: 7 -0.388976715098E+03 -0.10266E-04 -0.47665E-05 3070 0.173E-02 283 T= 6801. E= 0.69753030E+03 F= 0.64126921E+03 E0= 0.67246978E+03 EK= 0.56261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.388025627856E+03 0.95108E+00 -0.17354E-01 8232 0.240E+01 0.167E-01 RMM: 2 -0.388036298509E+03 -0.10671E-01 -0.77707E-02 5171 0.599E-01 0.777E-01 RMM: 3 -0.388031653668E+03 0.46448E-02 -0.61954E-03 5525 0.167E-01 0.149E-01 RMM: 4 -0.388031572848E+03 0.80820E-04 -0.54132E-04 4655 0.492E-02 0.119E-01 RMM: 5 -0.388031498325E+03 0.74524E-04 -0.78755E-05 3590 0.235E-02 0.735E-02 RMM: 6 -0.388031468841E+03 0.29484E-04 -0.24830E-05 2640 0.155E-02 0.367E-02 RMM: 7 -0.388031479365E+03 -0.10524E-04 -0.20652E-05 2540 0.127E-02 284 T= 6727. E= 0.69786802E+03 F= 0.64221731E+03 E0= 0.67339524E+03 EK= 0.55651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386956958148E+03 0.10745E+01 -0.17402E-01 8040 0.237E+01 0.176E-01 RMM: 2 -0.386968340068E+03 -0.11382E-01 -0.79418E-02 5205 0.608E-01 0.836E-01 RMM: 3 -0.386963187423E+03 0.51526E-02 -0.66684E-03 5440 0.174E-01 0.153E-01 RMM: 4 -0.386963083343E+03 0.10408E-03 -0.57869E-04 4688 0.507E-02 0.112E-01 RMM: 5 -0.386963012897E+03 0.70445E-04 -0.80490E-05 3617 0.232E-02 0.774E-02 RMM: 6 -0.386962978885E+03 0.34012E-04 -0.27456E-05 2691 0.161E-02 0.393E-02 RMM: 7 -0.386962987813E+03 -0.89280E-05 -0.25553E-05 2595 0.138E-02 285 T= 6558. E= 0.69753627E+03 F= 0.64328282E+03 E0= 0.67444036E+03 EK= 0.54253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385890936398E+03 0.10720E+01 -0.16439E-01 7740 0.233E+01 0.192E-01 RMM: 2 -0.385903220649E+03 -0.12284E-01 -0.75828E-02 5136 0.620E-01 0.954E-01 RMM: 3 -0.385896945493E+03 0.62752E-02 -0.71536E-03 5398 0.183E-01 0.200E-01 RMM: 4 -0.385896715731E+03 0.22976E-03 -0.65662E-04 4680 0.538E-02 0.962E-02 RMM: 5 -0.385896688643E+03 0.27088E-04 -0.10088E-04 3792 0.267E-02 0.919E-02 RMM: 6 -0.385896637527E+03 0.51116E-04 -0.31527E-05 2864 0.170E-02 0.402E-02 RMM: 7 -0.385896647291E+03 -0.97634E-05 -0.23985E-05 2565 0.140E-02 286 T= 6371. E= 0.69704592E+03 F= 0.64434035E+03 E0= 0.67547945E+03 EK= 0.52706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384944182461E+03 0.95246E+00 -0.15635E-01 7776 0.230E+01 0.188E-01 RMM: 2 -0.384955046359E+03 -0.10864E-01 -0.65600E-02 5163 0.583E-01 0.920E-01 RMM: 3 -0.384949353761E+03 0.56926E-02 -0.64403E-03 5379 0.174E-01 0.172E-01 RMM: 4 -0.384949221520E+03 0.13224E-03 -0.60123E-04 4653 0.511E-02 0.109E-01 RMM: 5 -0.384949175755E+03 0.45765E-04 -0.89407E-05 3691 0.247E-02 0.902E-02 RMM: 6 -0.384949126632E+03 0.49123E-04 -0.32245E-05 2862 0.174E-02 0.350E-02 RMM: 7 -0.384949134902E+03 -0.82700E-05 -0.19766E-05 2523 0.128E-02 287 T= 6243. E= 0.69692298E+03 F= 0.64527321E+03 E0= 0.67639906E+03 EK= 0.51650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384203919984E+03 0.74521E+00 -0.15171E-01 7560 0.228E+01 0.184E-01 RMM: 2 -0.384213848090E+03 -0.99281E-02 -0.58096E-02 5189 0.561E-01 0.915E-01 RMM: 3 -0.384208413648E+03 0.54344E-02 -0.56066E-03 5367 0.163E-01 0.185E-01 RMM: 4 -0.384208220641E+03 0.19301E-03 -0.54407E-04 4631 0.498E-02 0.934E-02 RMM: 5 -0.384208203541E+03 0.17100E-04 -0.96098E-05 3756 0.260E-02 288 T= 6226. E= 0.69750288E+03 F= 0.64599375E+03 E0= 0.67711131E+03 EK= 0.51509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383712356520E+03 0.49586E+00 -0.15352E-01 7620 0.228E+01 0.130E-01 RMM: 2 -0.383718966648E+03 -0.66101E-02 -0.53841E-02 5199 0.521E-01 0.554E-01 RMM: 3 -0.383716775080E+03 0.21916E-02 -0.41870E-03 5406 0.134E-01 0.127E-01 RMM: 4 -0.383716718327E+03 0.56753E-04 -0.33398E-04 4180 0.400E-02 0.106E-01 RMM: 5 -0.383716644643E+03 0.73684E-04 -0.61847E-05 3333 0.214E-02 0.718E-02 RMM: 6 -0.383716629907E+03 0.14736E-04 -0.46201E-05 3137 0.191E-02 289 T= 6332. E= 0.69884066E+03 F= 0.64645949E+03 E0= 0.67757404E+03 EK= 0.52381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383474761848E+03 0.24188E+00 -0.15872E-01 7836 0.231E+01 0.334E-01 RMM: 2 -0.383507781942E+03 -0.33020E-01 -0.68817E-02 5095 0.624E-01 0.209E+00 RMM: 3 -0.383479329443E+03 0.28452E-01 -0.13044E-02 5331 0.282E-01 0.316E-01 RMM: 4 -0.383478669820E+03 0.65962E-03 -0.14373E-03 4653 0.764E-02 0.101E-01 RMM: 5 -0.383478721897E+03 -0.52077E-04 -0.22537E-04 3891 0.379E-02 0.142E-01 RMM: 6 -0.383478598256E+03 0.12364E-03 -0.72845E-05 3506 0.251E-02 0.464E-02 RMM: 7 -0.383478591975E+03 0.62809E-05 -0.19425E-05 2523 0.133E-02 290 T= 6530. E= 0.70068322E+03 F= 0.64666663E+03 E0= 0.67778424E+03 EK= 0.54017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383459942438E+03 0.18656E-01 -0.16733E-01 7728 0.234E+01 0.382E-01 RMM: 2 -0.383507159821E+03 -0.47217E-01 -0.87889E-02 5206 0.703E-01 0.253E+00 RMM: 3 -0.383465713129E+03 0.41447E-01 -0.16439E-02 5296 0.319E-01 0.349E-01 RMM: 4 -0.383464858538E+03 0.85459E-03 -0.17973E-03 4717 0.853E-02 0.116E-01 RMM: 5 -0.383464852778E+03 0.57605E-05 -0.23214E-04 3909 0.386E-02 0.127E-01 RMM: 6 -0.383464740872E+03 0.11191E-03 -0.67215E-05 3444 0.235E-02 0.474E-02 RMM: 7 -0.383464748598E+03 -0.77260E-05 -0.31165E-05 2754 0.164E-02 291 T= 6751. E= 0.70249765E+03 F= 0.64664488E+03 E0= 0.67777077E+03 EK= 0.55853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383621406842E+03 -0.15667E+00 -0.17847E-01 8208 0.236E+01 0.289E-01 RMM: 2 -0.383648169593E+03 -0.26763E-01 -0.83343E-02 5272 0.643E-01 0.178E+00 RMM: 3 -0.383627632935E+03 0.20537E-01 -0.10800E-02 5347 0.245E-01 0.318E-01 RMM: 4 -0.383626994105E+03 0.63883E-03 -0.12677E-03 4653 0.720E-02 0.938E-02 RMM: 5 -0.383626986882E+03 0.72231E-05 -0.17051E-04 3882 0.331E-02 292 T= 6910. E= 0.70360835E+03 F= 0.64644245E+03 E0= 0.67758082E+03 EK= 0.57166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383905822291E+03 -0.27883E+00 -0.18550E-01 8364 0.237E+01 0.201E-01 RMM: 2 -0.383922192236E+03 -0.16370E-01 -0.91559E-02 5377 0.631E-01 0.115E+00 RMM: 3 -0.383913051608E+03 0.91406E-02 -0.70055E-03 5372 0.183E-01 0.214E-01 RMM: 4 -0.383912796890E+03 0.25472E-03 -0.78046E-04 4759 0.554E-02 0.114E-01 RMM: 5 -0.383912716217E+03 0.80673E-04 -0.10579E-04 3855 0.253E-02 0.963E-02 RMM: 6 -0.383912687551E+03 0.28666E-04 -0.56843E-05 3320 0.208E-02 0.842E-02 RMM: 7 -0.383912756401E+03 -0.68851E-04 -0.15487E-04 3887 0.295E-02 0.147E-01 RMM: 8 -0.383912621808E+03 0.13459E-03 -0.10343E-04 3865 0.262E-02 0.382E-02 RMM: 9 -0.383912618954E+03 0.28539E-05 -0.18821E-05 2516 0.124E-02 293 T= 6935. E= 0.70348578E+03 F= 0.64611180E+03 E0= 0.67726748E+03 EK= 0.57374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384272511758E+03 -0.35989E+00 -0.18658E-01 8436 0.236E+01 0.256E-01 RMM: 2 -0.384288075290E+03 -0.15564E-01 -0.10011E-01 5218 0.679E-01 0.110E+00 RMM: 3 -0.384279839399E+03 0.82359E-02 -0.87764E-03 5496 0.200E-01 0.206E-01 RMM: 4 -0.384279809616E+03 0.29782E-04 -0.10460E-03 4652 0.692E-02 0.211E-01 RMM: 5 -0.384279570835E+03 0.23878E-03 -0.20630E-04 3890 0.360E-02 0.113E-01 RMM: 6 -0.384279497626E+03 0.73209E-04 -0.70529E-05 3486 0.241E-02 0.387E-02 RMM: 7 -0.384279521464E+03 -0.23838E-04 -0.27482E-05 2650 0.153E-02 0.740E-02 RMM: 8 -0.384279490140E+03 0.31325E-04 -0.18868E-05 2527 0.143E-02 0.204E-02 RMM: 9 -0.384279489911E+03 0.22851E-06 -0.60257E-06 2431 0.712E-03 294 T= 6812. E= 0.70204758E+03 F= 0.64569454E+03 E0= 0.67686903E+03 EK= 0.56353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384692006188E+03 -0.41252E+00 -0.18624E-01 8892 0.232E+01 0.168E-01 RMM: 2 -0.384704017519E+03 -0.12011E-01 -0.96591E-02 5433 0.627E-01 0.740E-01 RMM: 3 -0.384699558848E+03 0.44587E-02 -0.66142E-03 5531 0.160E-01 0.161E-01 RMM: 4 -0.384699440158E+03 0.11869E-03 -0.64133E-04 4517 0.525E-02 0.113E-01 RMM: 5 -0.384699351335E+03 0.88823E-04 -0.10572E-04 3788 0.241E-02 0.718E-02 RMM: 6 -0.384699338530E+03 0.12805E-04 -0.36575E-05 2995 0.175E-02 295 T= 6589. E= 0.69972484E+03 F= 0.64521819E+03 E0= 0.67641270E+03 EK= 0.54507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385145691311E+03 -0.44634E+00 -0.18708E-01 8784 0.228E+01 0.320E-01 RMM: 2 -0.385179568125E+03 -0.33877E-01 -0.10670E-01 5353 0.674E-01 0.199E+00 RMM: 3 -0.385153672789E+03 0.25895E-01 -0.13593E-02 5357 0.267E-01 0.336E-01 RMM: 4 -0.385152994362E+03 0.67843E-03 -0.16135E-03 4669 0.799E-02 0.116E-01 RMM: 5 -0.385152983486E+03 0.10876E-04 -0.22820E-04 3897 0.349E-02 0.133E-01 RMM: 6 -0.385152881148E+03 0.10234E-03 -0.82251E-05 3580 0.251E-02 0.618E-02 RMM: 7 -0.385152920829E+03 -0.39681E-04 -0.60631E-05 3388 0.212E-02 0.102E-01 RMM: 8 -0.385152865773E+03 0.55056E-04 -0.48480E-05 3035 0.187E-02 0.553E-02 RMM: 9 -0.385152847888E+03 0.17885E-04 -0.21126E-05 2519 0.137E-02 296 T= 6349. E= 0.69722748E+03 F= 0.64470132E+03 E0= 0.67591765E+03 EK= 0.52526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385618603272E+03 -0.46574E+00 -0.19102E-01 8916 0.225E+01 0.321E-01 RMM: 2 -0.385653370176E+03 -0.34767E-01 -0.11505E-01 5311 0.690E-01 0.199E+00 RMM: 3 -0.385627072915E+03 0.26297E-01 -0.13346E-02 5346 0.265E-01 0.339E-01 RMM: 4 -0.385626389603E+03 0.68331E-03 -0.18175E-03 4708 0.887E-02 0.133E-01 RMM: 5 -0.385626413188E+03 -0.23586E-04 -0.26256E-04 3899 0.390E-02 0.159E-01 RMM: 6 -0.385626256934E+03 0.15625E-03 -0.82719E-05 3579 0.260E-02 0.397E-02 RMM: 7 -0.385626267059E+03 -0.10125E-04 -0.27750E-05 2687 0.149E-02 297 T= 6173. E= 0.69522379E+03 F= 0.64415727E+03 E0= 0.67539559E+03 EK= 0.51067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386093838687E+03 -0.46758E+00 -0.19910E-01 8988 0.224E+01 0.226E-01 RMM: 2 -0.386114397729E+03 -0.20559E-01 -0.11783E-01 5413 0.661E-01 0.126E+00 RMM: 3 -0.386102846308E+03 0.11551E-01 -0.84775E-03 5366 0.199E-01 0.203E-01 RMM: 4 -0.386102656850E+03 0.18946E-03 -0.95952E-04 4715 0.616E-02 0.128E-01 RMM: 5 -0.386102603923E+03 0.52927E-04 -0.15072E-04 3891 0.291E-02 0.112E-01 RMM: 6 -0.386102534609E+03 0.69313E-04 -0.61322E-05 3384 0.220E-02 0.540E-02 RMM: 7 -0.386102592400E+03 -0.57791E-04 -0.59760E-05 3415 0.201E-02 0.113E-01 RMM: 8 -0.386102516873E+03 0.75527E-04 -0.45127E-05 3119 0.198E-02 0.324E-02 RMM: 9 -0.386102513248E+03 0.36255E-05 -0.12004E-05 2460 0.975E-03 298 T= 6109. E= 0.69414321E+03 F= 0.64360312E+03 E0= 0.67486356E+03 EK= 0.50540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386551328216E+03 -0.44881E+00 -0.20655E-01 9000 0.224E+01 0.193E-01 RMM: 2 -0.386567486699E+03 -0.16158E-01 -0.11919E-01 5461 0.653E-01 0.924E-01 RMM: 3 -0.386560502414E+03 0.69843E-02 -0.69736E-03 5409 0.174E-01 0.153E-01 RMM: 4 -0.386560515900E+03 -0.13486E-04 -0.80408E-04 4706 0.584E-02 0.172E-01 RMM: 5 -0.386560339782E+03 0.17612E-03 -0.15305E-04 3879 0.301E-02 0.837E-02 RMM: 6 -0.386560303910E+03 0.35872E-04 -0.43526E-05 3146 0.189E-02 0.489E-02 RMM: 7 -0.386560321341E+03 -0.17431E-04 -0.37185E-05 2897 0.171E-02 299 T= 6172. E= 0.69412106E+03 F= 0.64306065E+03 E0= 0.67434168E+03 EK= 0.51060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386963407243E+03 -0.40310E+00 -0.22161E-01 9000 0.227E+01 0.178E-01 RMM: 2 -0.386978119315E+03 -0.14712E-01 -0.12622E-01 5605 0.663E-01 0.716E-01 RMM: 3 -0.386973175309E+03 0.49440E-02 -0.62376E-03 5520 0.163E-01 0.159E-01 RMM: 4 -0.386973076466E+03 0.98843E-04 -0.65350E-04 4585 0.513E-02 0.127E-01 RMM: 5 -0.386972970300E+03 0.10617E-03 -0.12140E-04 3890 0.277E-02 0.791E-02 RMM: 6 -0.386972970982E+03 -0.68208E-06 -0.57150E-05 3356 0.206E-02 300 T= 6340. E= 0.69500365E+03 F= 0.64255734E+03 E0= 0.67385713E+03 EK= 0.52446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387300454111E+03 -0.32748E+00 -0.23695E-01 8868 0.231E+01 0.350E-01 RMM: 2 -0.387335718231E+03 -0.35264E-01 -0.13993E-01 5457 0.737E-01 0.192E+00 RMM: 3 -0.387310866121E+03 0.24852E-01 -0.14631E-02 5339 0.280E-01 0.374E-01 RMM: 4 -0.387309949682E+03 0.91644E-03 -0.17108E-03 4691 0.829E-02 0.115E-01 RMM: 5 -0.387309939564E+03 0.10118E-04 -0.25093E-04 3893 0.386E-02 0.131E-01 RMM: 6 -0.387309845928E+03 0.93636E-04 -0.93508E-05 3816 0.267E-02 0.690E-02 RMM: 7 -0.387309883413E+03 -0.37485E-04 -0.67711E-05 3479 0.224E-02 0.104E-01 RMM: 8 -0.387309825764E+03 0.57649E-04 -0.43955E-05 3077 0.191E-02 0.531E-02 RMM: 9 -0.387309813052E+03 0.12712E-04 -0.18517E-05 2514 0.127E-02 301 T= 6557. E= 0.69636928E+03 F= 0.64212458E+03 E0= 0.67343963E+03 EK= 0.54245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387530716241E+03 -0.22089E+00 -0.24845E-01 8808 0.235E+01 0.334E-01 RMM: 2 -0.387566115906E+03 -0.35400E-01 -0.14573E-01 5499 0.736E-01 0.189E+00 RMM: 3 -0.387541642631E+03 0.24473E-01 -0.13434E-02 5352 0.267E-01 0.378E-01 RMM: 4 -0.387540725913E+03 0.91672E-03 -0.18196E-03 4677 0.883E-02 0.126E-01 RMM: 5 -0.387540760460E+03 -0.34548E-04 -0.28896E-04 3903 0.426E-02 0.159E-01 RMM: 6 -0.387540603842E+03 0.15662E-03 -0.10000E-04 3790 0.280E-02 0.496E-02 RMM: 7 -0.387540626349E+03 -0.22508E-04 -0.53555E-05 3273 0.199E-02 0.798E-02 RMM: 8 -0.387540591507E+03 0.34842E-04 -0.31084E-05 2817 0.178E-02 0.324E-02 RMM: 9 -0.387540587612E+03 0.38953E-05 -0.10241E-05 2452 0.941E-03 302 T= 6747. E= 0.69761208E+03 F= 0.64179301E+03 E0= 0.67311892E+03 EK= 0.55819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387634571889E+03 -0.93980E-01 -0.25898E-01 8868 0.238E+01 0.240E-01 RMM: 2 -0.387659571426E+03 -0.25000E-01 -0.14449E-01 5523 0.727E-01 0.135E+00 RMM: 3 -0.387645837834E+03 0.13734E-01 -0.92751E-03 5348 0.215E-01 0.229E-01 RMM: 4 -0.387645537216E+03 0.30062E-03 -0.10633E-03 4735 0.649E-02 0.114E-01 RMM: 5 -0.387645477485E+03 0.59731E-04 -0.17208E-04 3887 0.342E-02 0.105E-01 RMM: 6 -0.387645429277E+03 0.48208E-04 -0.68950E-05 3509 0.229E-02 0.680E-02 RMM: 7 -0.387645467044E+03 -0.37767E-04 -0.78534E-05 3726 0.235E-02 0.108E-01 RMM: 8 -0.387645395605E+03 0.71438E-04 -0.40515E-05 3113 0.191E-02 0.320E-02 RMM: 9 -0.387645395813E+03 -0.20782E-06 -0.12257E-05 2472 0.951E-03 303 T= 6837. E= 0.69814228E+03 F= 0.64158232E+03 E0= 0.67291499E+03 EK= 0.56560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387609877511E+03 0.35518E-01 -0.24874E-01 8688 0.238E+01 0.215E-01 RMM: 2 -0.387628108441E+03 -0.18231E-01 -0.13535E-01 5555 0.703E-01 0.970E-01 RMM: 3 -0.387620306054E+03 0.78024E-02 -0.72932E-03 5432 0.184E-01 0.197E-01 RMM: 4 -0.387620123056E+03 0.18300E-03 -0.79924E-04 4715 0.582E-02 0.131E-01 RMM: 5 -0.387620048789E+03 0.74267E-04 -0.16360E-04 3885 0.329E-02 0.105E-01 RMM: 6 -0.387619990557E+03 0.58232E-04 -0.69403E-05 3473 0.233E-02 0.550E-02 RMM: 7 -0.387620033885E+03 -0.43328E-04 -0.50318E-05 3236 0.197E-02 0.102E-01 RMM: 8 -0.387619968140E+03 0.65744E-04 -0.30467E-05 2789 0.174E-02 0.308E-02 RMM: 9 -0.387619964714E+03 0.34258E-05 -0.10442E-05 2449 0.888E-03 304 T= 6790. E= 0.69766481E+03 F= 0.64149607E+03 E0= 0.67283275E+03 EK= 0.56169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387468668008E+03 0.15130E+00 -0.23549E-01 8676 0.237E+01 0.183E-01 RMM: 2 -0.387484469317E+03 -0.15801E-01 -0.12954E-01 5561 0.682E-01 0.776E-01 RMM: 3 -0.387478706016E+03 0.57633E-02 -0.64157E-03 5379 0.179E-01 0.154E-01 RMM: 4 -0.387478693441E+03 0.12575E-04 -0.76224E-04 4711 0.580E-02 0.163E-01 RMM: 5 -0.387478543199E+03 0.15024E-03 -0.16459E-04 3879 0.323E-02 0.922E-02 RMM: 6 -0.387478512431E+03 0.30768E-04 -0.59950E-05 3373 0.216E-02 0.663E-02 RMM: 7 -0.387478530546E+03 -0.18115E-04 -0.51971E-05 3237 0.199E-02 305 T= 6627. E= 0.69633902E+03 F= 0.64151902E+03 E0= 0.67285782E+03 EK= 0.54820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387237802090E+03 0.24071E+00 -0.21751E-01 8484 0.234E+01 0.200E-01 RMM: 2 -0.387251565346E+03 -0.13763E-01 -0.11751E-01 5533 0.662E-01 0.717E-01 RMM: 3 -0.387246737771E+03 0.48276E-02 -0.59531E-03 5391 0.169E-01 0.169E-01 RMM: 4 -0.387246771190E+03 -0.33419E-04 -0.74409E-04 4686 0.593E-02 0.196E-01 RMM: 5 -0.387246540105E+03 0.23109E-03 -0.18233E-04 3883 0.332E-02 0.953E-02 RMM: 6 -0.387246511951E+03 0.28154E-04 -0.68510E-05 3489 0.226E-02 0.747E-02 RMM: 7 -0.387246543809E+03 -0.31859E-04 -0.69840E-05 3628 0.217E-02 0.108E-01 RMM: 8 -0.387246470371E+03 0.73438E-04 -0.33119E-05 2968 0.175E-02 0.244E-02 RMM: 9 -0.387246470487E+03 -0.11585E-06 -0.10582E-05 2455 0.891E-03 306 T= 6414. E= 0.69468519E+03 F= 0.64162495E+03 E0= 0.67296595E+03 EK= 0.53060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386947078059E+03 0.29939E+00 -0.19974E-01 8664 0.231E+01 0.209E-01 RMM: 2 -0.386961492671E+03 -0.14415E-01 -0.11053E-01 5305 0.665E-01 0.855E-01 RMM: 3 -0.386955544319E+03 0.59484E-02 -0.66762E-03 5468 0.174E-01 0.163E-01 RMM: 4 -0.386955587513E+03 -0.43193E-04 -0.80132E-04 4643 0.636E-02 0.197E-01 RMM: 5 -0.386955377520E+03 0.20999E-03 -0.18126E-04 3890 0.329E-02 0.109E-01 RMM: 6 -0.386955309924E+03 0.67595E-04 -0.59216E-05 3359 0.222E-02 0.431E-02 RMM: 7 -0.386955339105E+03 -0.29180E-04 -0.37521E-05 2941 0.171E-02 0.844E-02 RMM: 8 -0.386955294998E+03 0.44107E-04 -0.30145E-05 2661 0.170E-02 0.234E-02 RMM: 9 -0.386955293352E+03 0.16457E-05 -0.78694E-06 2436 0.773E-03 307 T= 6230. E= 0.69331880E+03 F= 0.64178200E+03 E0= 0.67312446E+03 EK= 0.51537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386626588506E+03 0.32871E+00 -0.18746E-01 8724 0.229E+01 0.212E-01 RMM: 2 -0.386638510923E+03 -0.11922E-01 -0.10106E-01 5368 0.642E-01 0.711E-01 RMM: 3 -0.386634211511E+03 0.42994E-02 -0.60781E-03 5458 0.165E-01 0.177E-01 RMM: 4 -0.386634292652E+03 -0.81140E-04 -0.81193E-04 4639 0.646E-02 0.222E-01 RMM: 5 -0.386633993206E+03 0.29945E-03 -0.20855E-04 3884 0.348E-02 0.103E-01 RMM: 6 -0.386633941625E+03 0.51580E-04 -0.65121E-05 3445 0.226E-02 0.602E-02 RMM: 7 -0.386633986688E+03 -0.45063E-04 -0.71285E-05 3635 0.221E-02 0.109E-01 RMM: 8 -0.386633910715E+03 0.75974E-04 -0.36592E-05 3030 0.179E-02 0.259E-02 RMM: 9 -0.386633910153E+03 0.56151E-06 -0.11070E-05 2459 0.917E-03 308 T= 6135. E= 0.69271737E+03 F= 0.64196167E+03 E0= 0.67330434E+03 EK= 0.50756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386296245211E+03 0.33767E+00 -0.18192E-01 8580 0.229E+01 0.234E-01 RMM: 2 -0.386310952514E+03 -0.14707E-01 -0.98412E-02 5302 0.650E-01 0.101E+00 RMM: 3 -0.386303602932E+03 0.73496E-02 -0.71686E-03 5541 0.176E-01 0.192E-01 RMM: 4 -0.386303585626E+03 0.17307E-04 -0.90095E-04 4638 0.684E-02 0.207E-01 RMM: 5 -0.386303350471E+03 0.23515E-03 -0.19980E-04 3885 0.341E-02 0.119E-01 RMM: 6 -0.386303272584E+03 0.77887E-04 -0.72031E-05 3523 0.240E-02 0.547E-02 RMM: 7 -0.386303311843E+03 -0.39259E-04 -0.65291E-05 3474 0.211E-02 0.101E-01 RMM: 8 -0.386303247035E+03 0.64808E-04 -0.39878E-05 3054 0.191E-02 0.299E-02 RMM: 9 -0.386303243732E+03 0.33030E-05 -0.10495E-05 2452 0.893E-03 309 T= 6160. E= 0.69310682E+03 F= 0.64214414E+03 E0= 0.67348456E+03 EK= 0.50963E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385961672869E+03 0.34157E+00 -0.18018E-01 8448 0.230E+01 0.216E-01 RMM: 2 -0.385974300794E+03 -0.12628E-01 -0.96359E-02 5340 0.635E-01 0.838E-01 RMM: 3 -0.385968941290E+03 0.53595E-02 -0.68775E-03 5475 0.172E-01 0.188E-01 RMM: 4 -0.385968912302E+03 0.28988E-04 -0.83512E-04 4651 0.644E-02 0.194E-01 RMM: 5 -0.385968702374E+03 0.20993E-03 -0.18784E-04 3880 0.329E-02 0.118E-01 RMM: 6 -0.385968628711E+03 0.73662E-04 -0.80243E-05 3587 0.250E-02 0.599E-02 RMM: 7 -0.385968681999E+03 -0.53287E-04 -0.72443E-05 3603 0.223E-02 0.113E-01 RMM: 8 -0.385968599839E+03 0.82159E-04 -0.40230E-05 3078 0.189E-02 0.307E-02 RMM: 9 -0.385968596310E+03 0.35292E-05 -0.11020E-05 2460 0.914E-03 310 T= 6299. E= 0.69443344E+03 F= 0.64232562E+03 E0= 0.67366009E+03 EK= 0.52108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385608428515E+03 0.36017E+00 -0.18727E-01 8484 0.233E+01 0.225E-01 RMM: 2 -0.385624139111E+03 -0.15711E-01 -0.10222E-01 5255 0.660E-01 0.105E+00 RMM: 3 -0.385616208240E+03 0.79309E-02 -0.79957E-03 5550 0.182E-01 0.176E-01 RMM: 4 -0.385616183562E+03 0.24678E-04 -0.88585E-04 4659 0.674E-02 0.198E-01 RMM: 5 -0.385615964825E+03 0.21874E-03 -0.20033E-04 3883 0.351E-02 0.115E-01 RMM: 6 -0.385615899410E+03 0.65415E-04 -0.81199E-05 3618 0.249E-02 0.663E-02 RMM: 7 -0.385615940991E+03 -0.41581E-04 -0.82756E-05 3766 0.238E-02 0.108E-01 RMM: 8 -0.385615865244E+03 0.75747E-04 -0.39921E-05 3105 0.189E-02 0.307E-02 RMM: 9 -0.385615862011E+03 0.32326E-05 -0.10815E-05 2458 0.901E-03 311 T= 6509. E= 0.69636445E+03 F= 0.64252157E+03 E0= 0.67384556E+03 EK= 0.53843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385209047197E+03 0.40682E+00 -0.19196E-01 8664 0.236E+01 0.220E-01 RMM: 2 -0.385223391668E+03 -0.14344E-01 -0.10231E-01 5481 0.641E-01 0.947E-01 RMM: 3 -0.385216694540E+03 0.66971E-02 -0.70283E-03 5412 0.179E-01 0.183E-01 RMM: 4 -0.385216626838E+03 0.67702E-04 -0.84543E-04 4682 0.619E-02 0.172E-01 RMM: 5 -0.385216444507E+03 0.18233E-03 -0.18183E-04 3883 0.335E-02 0.108E-01 RMM: 6 -0.385216401910E+03 0.42597E-04 -0.93213E-05 3749 0.263E-02 0.791E-02 RMM: 7 -0.385216456208E+03 -0.54298E-04 -0.87491E-05 3756 0.244E-02 0.126E-01 RMM: 8 -0.385216355305E+03 0.10090E-03 -0.46364E-05 3209 0.199E-02 0.354E-02 RMM: 9 -0.385216350068E+03 0.52370E-05 -0.12841E-05 2469 0.987E-03 312 T= 6718. E= 0.69833345E+03 F= 0.64276142E+03 E0= 0.67407001E+03 EK= 0.55572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384729790886E+03 0.48656E+00 -0.19928E-01 8880 0.238E+01 0.233E-01 RMM: 2 -0.384747312019E+03 -0.17521E-01 -0.10852E-01 5481 0.661E-01 0.114E+00 RMM: 3 -0.384737918711E+03 0.93933E-02 -0.75087E-03 5500 0.179E-01 0.183E-01 RMM: 4 -0.384737865044E+03 0.53667E-04 -0.91672E-04 4671 0.667E-02 0.191E-01 RMM: 5 -0.384737653284E+03 0.21176E-03 -0.20233E-04 3887 0.358E-02 0.112E-01 RMM: 6 -0.384737605798E+03 0.47486E-04 -0.88215E-05 3697 0.255E-02 0.813E-02 RMM: 7 -0.384737628326E+03 -0.22528E-04 -0.88094E-05 3845 0.244E-02 0.106E-01 RMM: 8 -0.384737555978E+03 0.72348E-04 -0.37441E-05 3072 0.183E-02 0.297E-02 RMM: 9 -0.384737555117E+03 0.86100E-06 -0.11769E-05 2463 0.924E-03 313 T= 6845. E= 0.69970335E+03 F= 0.64307751E+03 E0= 0.67436672E+03 EK= 0.56626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384150062583E+03 0.58749E+00 -0.20077E-01 8916 0.238E+01 0.221E-01 RMM: 2 -0.384165335465E+03 -0.15273E-01 -0.11738E-01 5609 0.662E-01 0.897E-01 RMM: 3 -0.384158743294E+03 0.65922E-02 -0.70555E-03 5389 0.179E-01 0.170E-01 RMM: 4 -0.384158782507E+03 -0.39213E-04 -0.86344E-04 4691 0.620E-02 0.201E-01 RMM: 5 -0.384158517318E+03 0.26519E-03 -0.18242E-04 3888 0.332E-02 0.103E-01 RMM: 6 -0.384158496871E+03 0.20447E-04 -0.10281E-04 3805 0.270E-02 0.907E-02 RMM: 7 -0.384158530188E+03 -0.33317E-04 -0.83804E-05 3723 0.239E-02 0.121E-01 RMM: 8 -0.384158437168E+03 0.93020E-04 -0.42361E-05 3136 0.190E-02 0.325E-02 RMM: 9 -0.384158434311E+03 0.28571E-05 -0.13721E-05 2469 0.101E-02 314 T= 6837. E= 0.70004789E+03 F= 0.64348989E+03 E0= 0.67475706E+03 EK= 0.56558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383475782830E+03 0.68265E+00 -0.20445E-01 8976 0.235E+01 0.228E-01 RMM: 2 -0.383492013870E+03 -0.16231E-01 -0.12357E-01 5612 0.669E-01 0.934E-01 RMM: 3 -0.383484902002E+03 0.71119E-02 -0.67126E-03 5561 0.168E-01 0.178E-01 RMM: 4 -0.383484967478E+03 -0.65477E-04 -0.93902E-04 4663 0.686E-02 0.232E-01 RMM: 5 -0.383484645381E+03 0.32210E-03 -0.23551E-04 3883 0.382E-02 0.105E-01 RMM: 6 -0.383484614037E+03 0.31344E-04 -0.84792E-05 3670 0.248E-02 0.853E-02 RMM: 7 -0.383484628724E+03 -0.14686E-04 -0.85875E-05 3835 0.237E-02 315 T= 6696. E= 0.69938590E+03 F= 0.64399151E+03 E0= 0.67523563E+03 EK= 0.55394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382741238184E+03 0.74338E+00 -0.20721E-01 8964 0.230E+01 0.227E-01 RMM: 2 -0.382754941005E+03 -0.13703E-01 -0.12880E-01 5718 0.662E-01 0.611E-01 RMM: 3 -0.382750645046E+03 0.42960E-02 -0.60690E-03 5404 0.167E-01 0.195E-01 RMM: 4 -0.382750901728E+03 -0.25668E-03 -0.91515E-04 4677 0.669E-02 0.288E-01 RMM: 5 -0.382750368699E+03 0.53303E-03 -0.27690E-04 3895 0.402E-02 0.965E-02 RMM: 6 -0.382750392600E+03 -0.23901E-04 -0.11889E-04 3857 0.280E-02 0.118E-01 RMM: 7 -0.382750370225E+03 0.22374E-04 -0.89857E-05 3833 0.245E-02 0.106E-01 RMM: 8 -0.382750300002E+03 0.70223E-04 -0.34148E-05 3008 0.169E-02 0.262E-02 RMM: 9 -0.382750305784E+03 -0.57815E-05 -0.14814E-05 2480 0.107E-02 316 T= 6482. E= 0.69817068E+03 F= 0.64454691E+03 E0= 0.67577011E+03 EK= 0.53624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382000046078E+03 0.75025E+00 -0.21422E-01 8964 0.225E+01 0.257E-01 RMM: 2 -0.382019253712E+03 -0.19208E-01 -0.13420E-01 5541 0.693E-01 0.109E+00 RMM: 3 -0.382009898004E+03 0.93557E-02 -0.76855E-03 5505 0.184E-01 0.212E-01 RMM: 4 -0.382009897721E+03 0.28347E-06 -0.11868E-03 4654 0.768E-02 0.235E-01 RMM: 5 -0.382009653757E+03 0.24396E-03 -0.27613E-04 3903 0.405E-02 0.156E-01 RMM: 6 -0.382009507542E+03 0.14622E-03 -0.11356E-04 3857 0.298E-02 0.520E-02 RMM: 7 -0.382009556310E+03 -0.48768E-04 -0.56634E-05 3330 0.200E-02 0.103E-01 RMM: 8 -0.382009492872E+03 0.63438E-04 -0.37507E-05 2965 0.183E-02 0.348E-02 RMM: 9 -0.382009487457E+03 0.54159E-05 -0.11021E-05 2460 0.942E-03 317 T= 6278. E= 0.69704108E+03 F= 0.64510150E+03 E0= 0.67630580E+03 EK= 0.51940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381314592366E+03 0.69490E+00 -0.21458E-01 8928 0.221E+01 0.249E-01 RMM: 2 -0.381329517536E+03 -0.14925E-01 -0.12810E-01 5884 0.653E-01 0.759E-01 RMM: 3 -0.381324004187E+03 0.55133E-02 -0.56115E-03 5367 0.166E-01 0.204E-01 RMM: 4 -0.381324347759E+03 -0.34357E-03 -0.11254E-03 4639 0.766E-02 0.313E-01 RMM: 5 -0.381323763622E+03 0.58414E-03 -0.34374E-04 3910 0.458E-02 0.123E-01 RMM: 6 -0.381323697256E+03 0.66366E-04 -0.10568E-04 3843 0.273E-02 0.774E-02 RMM: 7 -0.381323758896E+03 -0.61640E-04 -0.10249E-04 3862 0.257E-02 0.127E-01 RMM: 8 -0.381323657750E+03 0.10115E-03 -0.57316E-05 3368 0.218E-02 0.357E-02 RMM: 9 -0.381323653631E+03 0.41187E-05 -0.13134E-05 2491 0.102E-02 318 T= 6159. E= 0.69654430E+03 F= 0.64559427E+03 E0= 0.67678290E+03 EK= 0.50950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380740820903E+03 0.58284E+00 -0.21518E-01 9024 0.219E+01 0.275E-01 RMM: 2 -0.380760906036E+03 -0.20085E-01 -0.13282E-01 5568 0.700E-01 0.117E+00 RMM: 3 -0.380750667537E+03 0.10238E-01 -0.80907E-03 5467 0.190E-01 0.224E-01 RMM: 4 -0.380750739474E+03 -0.71936E-04 -0.13177E-03 4632 0.814E-02 0.264E-01 RMM: 5 -0.380750383562E+03 0.35591E-03 -0.30659E-04 3894 0.421E-02 0.149E-01 RMM: 6 -0.380750256902E+03 0.12666E-03 -0.10999E-04 3830 0.287E-02 0.611E-02 RMM: 7 -0.380750320394E+03 -0.63493E-04 -0.74357E-05 3570 0.224E-02 0.119E-01 RMM: 8 -0.380750232213E+03 0.88181E-04 -0.43705E-05 3144 0.197E-02 0.357E-02 RMM: 9 -0.380750226782E+03 0.54317E-05 -0.11775E-05 2471 0.960E-03 319 T= 6166. E= 0.69697725E+03 F= 0.64596921E+03 E0= 0.67714592E+03 EK= 0.51008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380325161710E+03 0.42507E+00 -0.21113E-01 9108 0.220E+01 0.269E-01 RMM: 2 -0.380343376770E+03 -0.18215E-01 -0.12999E-01 5595 0.697E-01 0.104E+00 RMM: 3 -0.380334962577E+03 0.84142E-02 -0.80486E-03 5404 0.191E-01 0.246E-01 RMM: 4 -0.380334907524E+03 0.55053E-04 -0.12656E-03 4655 0.793E-02 0.236E-01 RMM: 5 -0.380334681504E+03 0.22602E-03 -0.30159E-04 3896 0.414E-02 0.175E-01 RMM: 6 -0.380334502288E+03 0.17922E-03 -0.12140E-04 3877 0.303E-02 0.612E-02 RMM: 7 -0.380334580759E+03 -0.78470E-04 -0.91239E-05 3726 0.245E-02 0.128E-01 RMM: 8 -0.380334478339E+03 0.10242E-03 -0.50467E-05 3264 0.212E-02 0.373E-02 RMM: 9 -0.380334472764E+03 0.55747E-05 -0.13686E-05 2486 0.105E-02 320 T= 6304. E= 0.69833160E+03 F= 0.64618293E+03 E0= 0.67735103E+03 EK= 0.52149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380091676871E+03 0.24280E+00 -0.20336E-01 9108 0.223E+01 0.253E-01 RMM: 2 -0.380109147398E+03 -0.17471E-01 -0.12444E-01 5638 0.677E-01 0.103E+00 RMM: 3 -0.380100941509E+03 0.82059E-02 -0.72329E-03 5388 0.180E-01 0.209E-01 RMM: 4 -0.380101029674E+03 -0.88165E-04 -0.11396E-03 4636 0.746E-02 0.246E-01 RMM: 5 -0.380100677130E+03 0.35254E-03 -0.27932E-04 3887 0.398E-02 0.128E-01 RMM: 6 -0.380100606351E+03 0.70779E-04 -0.11018E-04 3860 0.281E-02 0.785E-02 RMM: 7 -0.380100664259E+03 -0.57909E-04 -0.80987E-05 3700 0.237E-02 0.125E-01 RMM: 8 -0.380100565119E+03 0.99140E-04 -0.44309E-05 3167 0.201E-02 0.328E-02 RMM: 9 -0.380100561736E+03 0.33829E-05 -0.12073E-05 2468 0.969E-03 321 T= 6536. E= 0.70027936E+03 F= 0.64621294E+03 E0= 0.67737513E+03 EK= 0.54066E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380038752445E+03 0.61813E-01 -0.19970E-01 9096 0.228E+01 0.279E-01 RMM: 2 -0.380059365016E+03 -0.20613E-01 -0.12432E-01 5525 0.707E-01 0.125E+00 RMM: 3 -0.380048079880E+03 0.11285E-01 -0.91467E-03 5425 0.202E-01 0.239E-01 RMM: 4 -0.380047930728E+03 0.14915E-03 -0.12420E-03 4663 0.774E-02 0.209E-01 RMM: 5 -0.380047785130E+03 0.14560E-03 -0.31039E-04 3907 0.436E-02 0.173E-01 RMM: 6 -0.380047614174E+03 0.17096E-03 -0.14022E-04 3877 0.325E-02 0.703E-02 RMM: 7 -0.380047707459E+03 -0.93285E-04 -0.10283E-04 3828 0.260E-02 0.142E-01 RMM: 8 -0.380047581469E+03 0.12599E-03 -0.55613E-05 3359 0.225E-02 0.385E-02 RMM: 9 -0.380047575884E+03 0.55857E-05 -0.13741E-05 2494 0.106E-02 322 T= 6785. E= 0.70219369E+03 F= 0.64606083E+03 E0= 0.67721861E+03 EK= 0.56133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380136352694E+03 -0.88771E-01 -0.19165E-01 9048 0.232E+01 0.258E-01 RMM: 2 -0.380155103420E+03 -0.18751E-01 -0.12185E-01 5621 0.697E-01 0.116E+00 RMM: 3 -0.380145501456E+03 0.96020E-02 -0.79163E-03 5389 0.190E-01 0.202E-01 RMM: 4 -0.380145544367E+03 -0.42910E-04 -0.11462E-03 4649 0.742E-02 0.229E-01 RMM: 5 -0.380145240421E+03 0.30395E-03 -0.29585E-04 3893 0.423E-02 0.129E-01 RMM: 6 -0.380145189277E+03 0.51144E-04 -0.14598E-04 3880 0.324E-02 0.988E-02 RMM: 7 -0.380145245445E+03 -0.56167E-04 -0.92824E-05 3765 0.257E-02 0.139E-01 RMM: 8 -0.380145124026E+03 0.12142E-03 -0.52268E-05 3302 0.215E-02 0.355E-02 RMM: 9 -0.380145121592E+03 0.24335E-05 -0.14001E-05 2482 0.104E-02 323 T= 6956. E= 0.70330377E+03 F= 0.64575639E+03 E0= 0.67691030E+03 EK= 0.57547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380327692245E+03 -0.18257E+00 -0.18206E-01 8868 0.235E+01 0.290E-01 RMM: 2 -0.380350954139E+03 -0.23262E-01 -0.12298E-01 5549 0.720E-01 0.142E+00 RMM: 3 -0.380336926549E+03 0.14028E-01 -0.99164E-03 5380 0.215E-01 0.241E-01 RMM: 4 -0.380336784364E+03 0.14219E-03 -0.13398E-03 4671 0.784E-02 0.212E-01 RMM: 5 -0.380336612579E+03 0.17178E-03 -0.34472E-04 3972 0.472E-02 0.169E-01 RMM: 6 -0.380336459011E+03 0.15357E-03 -0.15679E-04 3880 0.340E-02 0.808E-02 RMM: 7 -0.380336551173E+03 -0.92161E-04 -0.11731E-04 3866 0.282E-02 0.147E-01 RMM: 8 -0.380336415198E+03 0.13598E-03 -0.61810E-05 3427 0.235E-02 0.372E-02 RMM: 9 -0.380336412139E+03 0.30586E-05 -0.15353E-05 2497 0.111E-02 324 T= 6972. E= 0.70303030E+03 F= 0.64535446E+03 E0= 0.67650372E+03 EK= 0.57676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380546057961E+03 -0.20964E+00 -0.17492E-01 8844 0.235E+01 0.283E-01 RMM: 2 -0.380567263297E+03 -0.21205E-01 -0.11986E-01 5542 0.710E-01 0.134E+00 RMM: 3 -0.380554954301E+03 0.12309E-01 -0.97160E-03 5367 0.213E-01 0.232E-01 RMM: 4 -0.380554922690E+03 0.31611E-04 -0.14290E-03 4666 0.816E-02 0.232E-01 RMM: 5 -0.380554623369E+03 0.29932E-03 -0.35689E-04 3991 0.468E-02 0.140E-01 RMM: 6 -0.380554557070E+03 0.66299E-04 -0.17054E-04 3880 0.351E-02 0.103E-01 RMM: 7 -0.380554616027E+03 -0.58957E-04 -0.10414E-04 3848 0.274E-02 0.142E-01 RMM: 8 -0.380554489068E+03 0.12696E-03 -0.54685E-05 3331 0.218E-02 0.403E-02 RMM: 9 -0.380554483953E+03 0.51149E-05 -0.15186E-05 2493 0.110E-02 325 T= 6818. E= 0.70132621E+03 F= 0.64491939E+03 E0= 0.67606210E+03 EK= 0.56407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380727323971E+03 -0.17283E+00 -0.17034E-01 8772 0.233E+01 0.301E-01 RMM: 2 -0.380750234095E+03 -0.22910E-01 -0.11615E-01 5416 0.708E-01 0.145E+00 RMM: 3 -0.380735765384E+03 0.14469E-01 -0.10415E-02 5389 0.220E-01 0.232E-01 RMM: 4 -0.380735775937E+03 -0.10553E-04 -0.14333E-03 4666 0.819E-02 0.257E-01 RMM: 5 -0.380735471989E+03 0.30395E-03 -0.40720E-04 4351 0.515E-02 0.167E-01 RMM: 6 -0.380735330010E+03 0.14198E-03 -0.17237E-04 3880 0.344E-02 0.862E-02 RMM: 7 -0.380735406699E+03 -0.76689E-04 -0.11323E-04 3834 0.281E-02 0.142E-01 RMM: 8 -0.380735281269E+03 0.12543E-03 -0.59859E-05 3408 0.230E-02 0.385E-02 RMM: 9 -0.380735276681E+03 0.45888E-05 -0.14729E-05 2498 0.110E-02 326 T= 6554. E= 0.69873256E+03 F= 0.64451267E+03 E0= 0.67564644E+03 EK= 0.54220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380824693527E+03 -0.89412E-01 -0.17055E-01 8796 0.229E+01 0.289E-01 RMM: 2 -0.380844057273E+03 -0.19364E-01 -0.10747E-01 5452 0.680E-01 0.129E+00 RMM: 3 -0.380832423694E+03 0.11634E-01 -0.94698E-03 5372 0.209E-01 0.217E-01 RMM: 4 -0.380832557282E+03 -0.13359E-03 -0.14413E-03 4647 0.849E-02 0.274E-01 RMM: 5 -0.380832146228E+03 0.41105E-03 -0.40036E-04 4134 0.502E-02 0.149E-01 RMM: 6 -0.380832056961E+03 0.89267E-04 -0.16704E-04 3880 0.344E-02 0.956E-02 RMM: 7 -0.380832107277E+03 -0.50316E-04 -0.96071E-05 3773 0.268E-02 0.133E-01 RMM: 8 -0.380831996200E+03 0.11108E-03 -0.50197E-05 3295 0.212E-02 0.353E-02 RMM: 9 -0.380831993647E+03 0.25530E-05 -0.12789E-05 2487 0.101E-02 327 T= 6275. E= 0.69608670E+03 F= 0.64417951E+03 E0= 0.67530214E+03 EK= 0.51907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380813623910E+03 0.18372E-01 -0.17151E-01 8856 0.226E+01 0.300E-01 RMM: 2 -0.380833484035E+03 -0.19860E-01 -0.10994E-01 5350 0.691E-01 0.133E+00 RMM: 3 -0.380821559132E+03 0.11925E-01 -0.10166E-02 5398 0.213E-01 0.222E-01 RMM: 4 -0.380821685687E+03 -0.12656E-03 -0.14294E-03 4648 0.839E-02 0.282E-01 RMM: 5 -0.380821300173E+03 0.38551E-03 -0.46247E-04 4505 0.545E-02 0.172E-01 RMM: 6 -0.380821149147E+03 0.15103E-03 -0.18933E-04 3887 0.358E-02 0.884E-02 RMM: 7 -0.380821224405E+03 -0.75257E-04 -0.11168E-04 3824 0.284E-02 0.141E-01 RMM: 8 -0.380821098957E+03 0.12545E-03 -0.54579E-05 3353 0.220E-02 0.386E-02 RMM: 9 -0.380821094107E+03 0.48492E-05 -0.13620E-05 2489 0.104E-02 328 T= 6069. E= 0.69415028E+03 F= 0.64394347E+03 E0= 0.67505256E+03 EK= 0.50207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380687651887E+03 0.13345E+00 -0.17451E-01 8976 0.224E+01 0.309E-01 RMM: 2 -0.380710615469E+03 -0.22964E-01 -0.11552E-01 5366 0.700E-01 0.147E+00 RMM: 3 -0.380695851724E+03 0.14764E-01 -0.10575E-02 5379 0.223E-01 0.222E-01 RMM: 4 -0.380696008647E+03 -0.15692E-03 -0.15681E-03 4657 0.883E-02 0.285E-01 RMM: 5 -0.380695582475E+03 0.42617E-03 -0.45076E-04 4398 0.530E-02 0.166E-01 RMM: 6 -0.380695458149E+03 0.12433E-03 -0.19318E-04 3883 0.361E-02 0.955E-02 RMM: 7 -0.380695514171E+03 -0.56022E-04 -0.10474E-04 3842 0.282E-02 0.137E-01 RMM: 8 -0.380695396922E+03 0.11725E-03 -0.49192E-05 3294 0.209E-02 0.351E-02 RMM: 9 -0.380695394758E+03 0.21637E-05 -0.12782E-05 2490 0.994E-03 329 T= 5994. E= 0.69340382E+03 F= 0.64381352E+03 E0= 0.67490677E+03 EK= 0.49590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380451951247E+03 0.24345E+00 -0.18165E-01 9012 0.225E+01 0.293E-01 RMM: 2 -0.380471386675E+03 -0.19435E-01 -0.11909E-01 5429 0.704E-01 0.123E+00 RMM: 3 -0.380460700634E+03 0.10686E-01 -0.10021E-02 5381 0.212E-01 0.234E-01 RMM: 4 -0.380460757205E+03 -0.56570E-04 -0.14148E-03 4652 0.832E-02 0.271E-01 RMM: 5 -0.380460409586E+03 0.34762E-03 -0.48976E-04 4545 0.564E-02 0.175E-01 RMM: 6 -0.380460259386E+03 0.15020E-03 -0.21117E-04 3891 0.375E-02 0.980E-02 RMM: 7 -0.380460325649E+03 -0.66262E-04 -0.12664E-04 3868 0.305E-02 0.142E-01 RMM: 8 -0.380460198236E+03 0.12741E-03 -0.61173E-05 3425 0.229E-02 0.405E-02 RMM: 9 -0.380460191646E+03 0.65897E-05 -0.14196E-05 2499 0.107E-02 330 T= 6070. E= 0.69400422E+03 F= 0.64378740E+03 E0= 0.67486207E+03 EK= 0.50217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380117007654E+03 0.34319E+00 -0.19196E-01 8868 0.227E+01 0.289E-01 RMM: 2 -0.380138375440E+03 -0.21368E-01 -0.13094E-01 5459 0.724E-01 0.127E+00 RMM: 3 -0.380126513278E+03 0.11862E-01 -0.93717E-03 5396 0.210E-01 0.220E-01 RMM: 4 -0.380126556214E+03 -0.42936E-04 -0.13814E-03 4656 0.832E-02 0.259E-01 RMM: 5 -0.380126169184E+03 0.38703E-03 -0.45198E-04 4474 0.553E-02 0.141E-01 RMM: 6 -0.380126124666E+03 0.44518E-04 -0.17448E-04 3880 0.339E-02 0.116E-01 RMM: 7 -0.380126120146E+03 0.45195E-05 -0.94650E-05 3800 0.273E-02 331 T= 6278. E= 0.69579122E+03 F= 0.64385785E+03 E0= 0.67491071E+03 EK= 0.51933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379696028595E+03 0.43010E+00 -0.20973E-01 8928 0.231E+01 0.288E-01 RMM: 2 -0.379714375862E+03 -0.18347E-01 -0.14595E-01 5367 0.775E-01 0.972E-01 RMM: 3 -0.379707047490E+03 0.73284E-02 -0.10056E-02 5594 0.205E-01 0.227E-01 RMM: 4 -0.379707127205E+03 -0.79716E-04 -0.13921E-03 4673 0.871E-02 0.293E-01 RMM: 5 -0.379706617951E+03 0.50925E-03 -0.61409E-04 4590 0.642E-02 0.149E-01 RMM: 6 -0.379706649383E+03 -0.31432E-04 -0.29045E-04 3906 0.431E-02 0.169E-01 RMM: 7 -0.379706580062E+03 0.69321E-04 -0.14438E-04 3888 0.349E-02 0.137E-01 RMM: 8 -0.379706466339E+03 0.11372E-03 -0.55125E-05 3361 0.212E-02 0.430E-02 RMM: 9 -0.379706470386E+03 -0.40473E-05 -0.21892E-05 2568 0.129E-02 332 T= 6560. E= 0.69828073E+03 F= 0.64401413E+03 E0= 0.67504190E+03 EK= 0.54267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379212651960E+03 0.49381E+00 -0.23392E-01 8904 0.236E+01 0.284E-01 RMM: 2 -0.379237824113E+03 -0.25172E-01 -0.15996E-01 5245 0.830E-01 0.130E+00 RMM: 3 -0.379225170229E+03 0.12654E-01 -0.12498E-02 5445 0.240E-01 0.231E-01 RMM: 4 -0.379225030580E+03 0.13965E-03 -0.13931E-03 4698 0.815E-02 0.214E-01 RMM: 5 -0.379224830125E+03 0.20046E-03 -0.41755E-04 4454 0.534E-02 0.162E-01 RMM: 6 -0.379224701211E+03 0.12891E-03 -0.19372E-04 3897 0.363E-02 0.846E-02 RMM: 7 -0.379224767794E+03 -0.66582E-04 -0.99540E-05 3740 0.266E-02 0.134E-01 RMM: 8 -0.379224654140E+03 0.11365E-03 -0.52373E-05 3312 0.218E-02 0.341E-02 RMM: 9 -0.379224649107E+03 0.50331E-05 -0.96801E-06 2471 0.889E-03 333 T= 6826. E= 0.70070232E+03 F= 0.64423370E+03 E0= 0.67523174E+03 EK= 0.56469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378707979039E+03 0.51668E+00 -0.24893E-01 8856 0.239E+01 0.284E-01 RMM: 2 -0.378728826167E+03 -0.20847E-01 -0.16858E-01 5316 0.836E-01 0.966E-01 RMM: 3 -0.378720859126E+03 0.79670E-02 -0.11040E-02 5489 0.222E-01 0.224E-01 RMM: 4 -0.378720982050E+03 -0.12292E-03 -0.14939E-03 4773 0.903E-02 0.298E-01 RMM: 5 -0.378720498499E+03 0.48355E-03 -0.59439E-04 4578 0.632E-02 0.164E-01 RMM: 6 -0.378720416015E+03 0.82483E-04 -0.23553E-04 3904 0.387E-02 0.128E-01 RMM: 7 -0.378720435192E+03 -0.19176E-04 -0.14997E-04 3895 0.341E-02 334 T= 6979. E= 0.70221174E+03 F= 0.64447573E+03 E0= 0.67543944E+03 EK= 0.57736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378245233377E+03 0.47518E+00 -0.25353E-01 8532 0.239E+01 0.330E-01 RMM: 2 -0.378269851690E+03 -0.24618E-01 -0.17327E-01 5165 0.867E-01 0.124E+00 RMM: 3 -0.378258420043E+03 0.11432E-01 -0.13100E-02 5435 0.251E-01 0.277E-01 RMM: 4 -0.378258424149E+03 -0.41054E-05 -0.17786E-03 4993 0.962E-02 0.306E-01 RMM: 5 -0.378258020222E+03 0.40393E-03 -0.63083E-04 4577 0.645E-02 0.206E-01 RMM: 6 -0.378257805000E+03 0.21522E-03 -0.24945E-04 3892 0.406E-02 0.106E-01 RMM: 7 -0.378257878892E+03 -0.73891E-04 -0.17360E-04 3888 0.358E-02 0.156E-01 RMM: 8 -0.378257729347E+03 0.14954E-03 -0.86477E-05 3625 0.272E-02 0.473E-02 RMM: 9 -0.378257723826E+03 0.55210E-05 -0.18698E-05 2559 0.124E-02 335 T= 6962. E= 0.70226946E+03 F= 0.64467371E+03 E0= 0.67559762E+03 EK= 0.57596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377910861234E+03 0.34687E+00 -0.25124E-01 8520 0.237E+01 0.295E-01 RMM: 2 -0.377933921162E+03 -0.23060E-01 -0.16483E-01 5371 0.845E-01 0.115E+00 RMM: 3 -0.377923628719E+03 0.10292E-01 -0.11320E-02 5376 0.244E-01 0.226E-01 RMM: 4 -0.377923964803E+03 -0.33608E-03 -0.16158E-03 5026 0.923E-02 0.333E-01 RMM: 5 -0.377923365522E+03 0.59928E-03 -0.47262E-04 4500 0.556E-02 0.154E-01 RMM: 6 -0.377923230344E+03 0.13518E-03 -0.14596E-04 3894 0.317E-02 0.695E-02 RMM: 7 -0.377923284453E+03 -0.54109E-04 -0.81793E-05 3638 0.237E-02 0.116E-01 RMM: 8 -0.377923202382E+03 0.82071E-04 -0.43284E-05 3141 0.205E-02 0.401E-02 RMM: 9 -0.377923194668E+03 0.77142E-05 -0.10812E-05 2474 0.936E-03 336 T= 6792. E= 0.70092829E+03 F= 0.64473766E+03 E0= 0.67561927E+03 EK= 0.56191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377801921661E+03 0.12128E+00 -0.23461E-01 8556 0.233E+01 0.371E-01 RMM: 2 -0.377826220007E+03 -0.24298E-01 -0.15719E-01 5269 0.851E-01 0.133E+00 RMM: 3 -0.377813444446E+03 0.12776E-01 -0.12775E-02 5377 0.257E-01 0.305E-01 RMM: 4 -0.377813644779E+03 -0.20033E-03 -0.21624E-03 5159 0.108E-01 0.371E-01 RMM: 5 -0.377813051488E+03 0.59329E-03 -0.61855E-04 4588 0.634E-02 0.239E-01 RMM: 6 -0.377812703806E+03 0.34768E-03 -0.23253E-04 3897 0.399E-02 0.780E-02 RMM: 7 -0.377812785003E+03 -0.81197E-04 -0.13596E-04 3892 0.304E-02 0.139E-01 RMM: 8 -0.377812675147E+03 0.10986E-03 -0.70328E-05 3531 0.239E-02 0.651E-02 RMM: 9 -0.377812650192E+03 0.24955E-04 -0.20593E-05 2600 0.134E-02 0.258E-02 RMM: 10 -0.377812657668E+03 -0.74763E-05 -0.10922E-05 2465 0.940E-03 337 T= 6551. E= 0.69876559E+03 F= 0.64456892E+03 E0= 0.67540831E+03 EK= 0.54197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378001089097E+03 -0.18844E+00 -0.21217E-01 8676 0.228E+01 0.325E-01 RMM: 2 -0.378017772120E+03 -0.16683E-01 -0.14502E-01 5357 0.818E-01 0.845E-01 RMM: 3 -0.378011999232E+03 0.57729E-02 -0.10420E-02 5374 0.231E-01 0.260E-01 RMM: 4 -0.378012636394E+03 -0.63716E-03 -0.17332E-03 5045 0.990E-02 0.420E-01 RMM: 5 -0.378011547586E+03 0.10888E-02 -0.65299E-04 4582 0.665E-02 0.136E-01 RMM: 6 -0.378011460745E+03 0.86841E-04 -0.14140E-04 3883 0.308E-02 0.820E-02 RMM: 7 -0.378011513329E+03 -0.52584E-04 -0.85259E-05 3657 0.242E-02 0.128E-01 RMM: 8 -0.378011411433E+03 0.10190E-03 -0.49366E-05 3241 0.212E-02 0.387E-02 RMM: 9 -0.378011406245E+03 0.51876E-05 -0.14538E-05 2492 0.107E-02 338 T= 6339. E= 0.69652359E+03 F= 0.64408055E+03 E0= 0.67488109E+03 EK= 0.52443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378556789606E+03 -0.54538E+00 -0.18209E-01 8604 0.226E+01 0.347E-01 RMM: 2 -0.378574381064E+03 -0.17591E-01 -0.12402E-01 5329 0.762E-01 0.111E+00 RMM: 3 -0.378565397782E+03 0.89833E-02 -0.96053E-03 5440 0.218E-01 0.244E-01 RMM: 4 -0.378566181847E+03 -0.78407E-03 -0.18448E-03 4982 0.103E-01 0.437E-01 RMM: 5 -0.378565077848E+03 0.11040E-02 -0.64516E-04 4581 0.658E-02 0.181E-01 RMM: 6 -0.378564893088E+03 0.18476E-03 -0.20118E-04 3893 0.369E-02 0.818E-02 RMM: 7 -0.378564982419E+03 -0.89331E-04 -0.10722E-04 3816 0.274E-02 0.148E-01 RMM: 8 -0.378564845735E+03 0.13668E-03 -0.58082E-05 3398 0.223E-02 0.430E-02 RMM: 9 -0.378564837920E+03 0.78152E-05 -0.16229E-05 2517 0.115E-02 339 T= 6231. E= 0.69477322E+03 F= 0.64322719E+03 E0= 0.67399513E+03 EK= 0.51546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379447973302E+03 -0.88313E+00 -0.16542E-01 8280 0.226E+01 0.335E-01 RMM: 2 -0.379467595454E+03 -0.19622E-01 -0.11689E-01 5104 0.754E-01 0.128E+00 RMM: 3 -0.379456107367E+03 0.11488E-01 -0.10670E-02 5405 0.233E-01 0.227E-01 RMM: 4 -0.379456679178E+03 -0.57181E-03 -0.18969E-03 5063 0.103E-01 0.390E-01 RMM: 5 -0.379455868619E+03 0.81056E-03 -0.64137E-04 4582 0.655E-02 0.191E-01 RMM: 6 -0.379455651728E+03 0.21689E-03 -0.18506E-04 3894 0.352E-02 0.749E-02 RMM: 7 -0.379455719556E+03 -0.67829E-04 -0.11489E-04 3867 0.290E-02 0.131E-01 RMM: 8 -0.379455608700E+03 0.11086E-03 -0.53084E-05 3345 0.219E-02 0.359E-02 RMM: 9 -0.379455604944E+03 0.37556E-05 -0.13194E-05 2491 0.103E-02 340 T= 6254. E= 0.69376669E+03 F= 0.64202756E+03 E0= 0.67277099E+03 EK= 0.51739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380589727604E+03 -0.11341E+01 -0.15328E-01 8208 0.228E+01 0.330E-01 RMM: 2 -0.380608332017E+03 -0.18604E-01 -0.10088E-01 5235 0.710E-01 0.132E+00 RMM: 3 -0.380596592801E+03 0.11739E-01 -0.91267E-03 5388 0.217E-01 0.264E-01 RMM: 4 -0.380596667875E+03 -0.75074E-04 -0.15989E-03 4770 0.935E-02 0.308E-01 RMM: 5 -0.380596277041E+03 0.39083E-03 -0.66722E-04 4600 0.686E-02 0.217E-01 RMM: 6 -0.380596016170E+03 0.26087E-03 -0.27247E-04 3905 0.430E-02 0.954E-02 RMM: 7 -0.380596098185E+03 -0.82015E-04 -0.13826E-04 3886 0.332E-02 0.149E-01 RMM: 8 -0.380595956139E+03 0.14205E-03 -0.65824E-05 3503 0.239E-02 0.477E-02 RMM: 9 -0.380595945901E+03 0.10237E-04 -0.15679E-05 2520 0.116E-02 341 T= 6389. E= 0.69342675E+03 F= 0.64057133E+03 E0= 0.67129924E+03 EK= 0.52855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381836265872E+03 -0.12403E+01 -0.16034E-01 8820 0.231E+01 0.328E-01 RMM: 2 -0.381856959449E+03 -0.20694E-01 -0.10487E-01 5353 0.723E-01 0.140E+00 RMM: 3 -0.381843485469E+03 0.13474E-01 -0.94942E-03 5371 0.220E-01 0.236E-01 RMM: 4 -0.381843604137E+03 -0.11867E-03 -0.15858E-03 4738 0.927E-02 0.306E-01 RMM: 5 -0.381843177268E+03 0.42687E-03 -0.73087E-04 4592 0.728E-02 0.198E-01 RMM: 6 -0.381843011091E+03 0.16618E-03 -0.26749E-04 3899 0.421E-02 0.123E-01 RMM: 7 -0.381843034143E+03 -0.23052E-04 -0.15747E-04 3884 0.367E-02 0.141E-01 RMM: 8 -0.381842907741E+03 0.12640E-03 -0.62603E-05 3456 0.234E-02 0.388E-02 RMM: 9 -0.381842907833E+03 -0.92439E-07 -0.16837E-05 2518 0.118E-02 342 T= 6575. E= 0.69339229E+03 F= 0.63900286E+03 E0= 0.66972359E+03 EK= 0.54389E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383021589384E+03 -0.11787E+01 -0.17118E-01 9036 0.235E+01 0.309E-01 RMM: 2 -0.383039779966E+03 -0.18191E-01 -0.11201E-01 5436 0.746E-01 0.122E+00 RMM: 3 -0.383029719633E+03 0.10060E-01 -0.88158E-03 5429 0.204E-01 0.261E-01 RMM: 4 -0.383029552735E+03 0.16690E-03 -0.13622E-03 4642 0.857E-02 0.253E-01 RMM: 5 -0.383029259357E+03 0.29338E-03 -0.77421E-04 4607 0.769E-02 0.189E-01 RMM: 6 -0.383029167483E+03 0.91873E-04 -0.33929E-04 3964 0.475E-02 0.150E-01 RMM: 7 -0.383029166234E+03 0.12487E-05 -0.15917E-04 3884 0.375E-02 343 T= 6727. E= 0.69313727E+03 F= 0.63748961E+03 E0= 0.66820938E+03 EK= 0.55648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383992688618E+03 -0.96352E+00 -0.18369E-01 9072 0.236E+01 0.346E-01 RMM: 2 -0.384009233214E+03 -0.16545E-01 -0.12259E-01 5407 0.775E-01 0.108E+00 RMM: 3 -0.384001329800E+03 0.79034E-02 -0.96654E-03 5488 0.207E-01 0.272E-01 RMM: 4 -0.384001489650E+03 -0.15985E-03 -0.17108E-03 4669 0.999E-02 0.367E-01 RMM: 5 -0.384000709286E+03 0.78036E-03 -0.11972E-03 4608 0.951E-02 0.174E-01 RMM: 6 -0.384000851168E+03 -0.14188E-03 -0.39016E-04 4069 0.504E-02 0.232E-01 RMM: 7 -0.384000589677E+03 0.26149E-03 -0.25692E-04 3900 0.479E-02 0.126E-01 RMM: 8 -0.384000497421E+03 0.92255E-04 -0.80635E-05 3575 0.258E-02 0.520E-02 RMM: 9 -0.384000512366E+03 -0.14945E-04 -0.34462E-05 2768 0.170E-02 344 T= 6772. E= 0.69220460E+03 F= 0.63618440E+03 E0= 0.66690626E+03 EK= 0.56020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384637845698E+03 -0.63735E+00 -0.19137E-01 8976 0.235E+01 0.290E-01 RMM: 2 -0.384655934712E+03 -0.18089E-01 -0.12228E-01 5358 0.763E-01 0.114E+00 RMM: 3 -0.384646894462E+03 0.90402E-02 -0.98152E-03 5573 0.204E-01 0.212E-01 RMM: 4 -0.384646898589E+03 -0.41272E-05 -0.12200E-03 4656 0.811E-02 0.272E-01 RMM: 5 -0.384646491011E+03 0.40758E-03 -0.60350E-04 4601 0.679E-02 0.146E-01 RMM: 6 -0.384646470942E+03 0.20069E-04 -0.28216E-04 3933 0.431E-02 0.138E-01 RMM: 7 -0.384646438005E+03 0.32937E-04 -0.10959E-04 3801 0.306E-02 0.122E-01 RMM: 8 -0.384646344583E+03 0.93422E-04 -0.35895E-05 3063 0.179E-02 0.329E-02 RMM: 9 -0.384646343651E+03 0.93152E-06 -0.12392E-05 2472 0.982E-03 345 T= 6681. E= 0.69046938E+03 F= 0.63519545E+03 E0= 0.66591850E+03 EK= 0.55274E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384905895009E+03 -0.25955E+00 -0.19040E-01 8988 0.232E+01 0.342E-01 RMM: 2 -0.384918128966E+03 -0.12234E-01 -0.11401E-01 5447 0.719E-01 0.795E-01 RMM: 3 -0.384913593373E+03 0.45356E-02 -0.88078E-03 5722 0.185E-01 0.256E-01 RMM: 4 -0.384914216568E+03 -0.62320E-03 -0.18084E-03 4681 0.106E-01 0.450E-01 RMM: 5 -0.384912990708E+03 0.12259E-02 -0.10908E-03 4614 0.885E-02 0.157E-01 RMM: 6 -0.384913052022E+03 -0.61314E-04 -0.36636E-04 4022 0.491E-02 0.189E-01 RMM: 7 -0.384912901455E+03 0.15057E-03 -0.17752E-04 3885 0.401E-02 0.123E-01 RMM: 8 -0.384912809666E+03 0.91789E-04 -0.44725E-05 3199 0.198E-02 0.430E-02 RMM: 9 -0.384912812193E+03 -0.25273E-05 -0.26845E-05 2641 0.148E-02 346 T= 6487. E= 0.68824065E+03 F= 0.63457419E+03 E0= 0.66529509E+03 EK= 0.53666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384791637164E+03 0.12117E+00 -0.18286E-01 8760 0.228E+01 0.318E-01 RMM: 2 -0.384803989543E+03 -0.12352E-01 -0.10865E-01 5409 0.685E-01 0.815E-01 RMM: 3 -0.384798925349E+03 0.50642E-02 -0.80593E-03 5776 0.178E-01 0.221E-01 RMM: 4 -0.384799657884E+03 -0.73253E-03 -0.15839E-03 4648 0.980E-02 0.443E-01 RMM: 5 -0.384798436273E+03 0.12216E-02 -0.84171E-04 4599 0.772E-02 0.114E-01 RMM: 6 -0.384798547118E+03 -0.11084E-03 -0.26690E-04 3885 0.415E-02 0.178E-01 RMM: 7 -0.384798390586E+03 0.15653E-03 -0.11608E-04 3858 0.329E-02 0.955E-02 RMM: 8 -0.384798335089E+03 0.55498E-04 -0.27632E-05 2846 0.155E-02 0.337E-02 RMM: 9 -0.384798337737E+03 -0.26486E-05 -0.20227E-05 2495 0.129E-02 347 T= 6261. E= 0.68611344E+03 F= 0.63432094E+03 E0= 0.66503385E+03 EK= 0.51792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384330995745E+03 0.46734E+00 -0.17748E-01 8676 0.223E+01 0.340E-01 RMM: 2 -0.384340722333E+03 -0.97266E-02 -0.10345E-01 5427 0.648E-01 0.610E-01 RMM: 3 -0.384337487633E+03 0.32347E-02 -0.65770E-03 5647 0.169E-01 0.294E-01 RMM: 4 -0.384338265893E+03 -0.77826E-03 -0.16509E-03 4691 0.102E-01 0.490E-01 RMM: 5 -0.384336765292E+03 0.15006E-02 -0.86570E-04 4602 0.768E-02 0.119E-01 RMM: 6 -0.384336824487E+03 -0.59195E-04 -0.24955E-04 3889 0.398E-02 0.158E-01 RMM: 7 -0.384336716653E+03 0.10783E-03 -0.11345E-04 3864 0.319E-02 0.102E-01 RMM: 8 -0.384336650855E+03 0.65798E-04 -0.31414E-05 2962 0.167E-02 0.321E-02 RMM: 9 -0.384336656011E+03 -0.51563E-05 -0.18731E-05 2505 0.122E-02 348 T= 6080. E= 0.68470038E+03 F= 0.63440278E+03 E0= 0.66510072E+03 EK= 0.50298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383574661174E+03 0.76199E+00 -0.17307E-01 8628 0.221E+01 0.345E-01 RMM: 2 -0.383584578686E+03 -0.99175E-02 -0.97436E-02 5386 0.627E-01 0.696E-01 RMM: 3 -0.383580572482E+03 0.40062E-02 -0.64463E-03 5487 0.171E-01 0.270E-01 RMM: 4 -0.383581480740E+03 -0.90826E-03 -0.17106E-03 4692 0.103E-01 0.491E-01 RMM: 5 -0.383579959804E+03 0.15209E-02 -0.83088E-04 4593 0.749E-02 0.110E-01 RMM: 6 -0.383580000855E+03 -0.41052E-04 -0.22017E-04 3888 0.372E-02 0.142E-01 RMM: 7 -0.383579924937E+03 0.75918E-04 -0.90850E-05 3799 0.287E-02 0.103E-01 RMM: 8 -0.383579857930E+03 0.67008E-04 -0.29556E-05 2940 0.161E-02 0.297E-02 RMM: 9 -0.383579862703E+03 -0.47732E-05 -0.15943E-05 2488 0.111E-02 349 T= 6003. E= 0.68443397E+03 F= 0.63477067E+03 E0= 0.66544694E+03 EK= 0.49663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382580745590E+03 0.99911E+00 -0.17357E-01 8700 0.220E+01 0.351E-01 RMM: 2 -0.382590732189E+03 -0.99866E-02 -0.98978E-02 5301 0.639E-01 0.691E-01 RMM: 3 -0.382586938556E+03 0.37936E-02 -0.72652E-03 5413 0.186E-01 0.317E-01 RMM: 4 -0.382587666319E+03 -0.72776E-03 -0.18075E-03 4862 0.106E-01 0.478E-01 RMM: 5 -0.382586207562E+03 0.14588E-02 -0.79198E-04 4582 0.732E-02 0.121E-01 RMM: 6 -0.382586207813E+03 -0.25066E-06 -0.18348E-04 3881 0.336E-02 350 T= 6058. E= 0.68549038E+03 F= 0.63537114E+03 E0= 0.66602019E+03 EK= 0.50119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381408619269E+03 0.11776E+01 -0.16779E-01 8604 0.221E+01 0.513E-01 RMM: 2 -0.381447399130E+03 -0.38780E-01 -0.10198E-01 5169 0.709E-01 0.227E+00 RMM: 3 -0.381413512458E+03 0.33887E-01 -0.17687E-02 5314 0.323E-01 0.365E-01 RMM: 4 -0.381413904269E+03 -0.39181E-03 -0.31189E-03 5311 0.124E-01 0.470E-01 RMM: 5 -0.381413116033E+03 0.78824E-03 -0.11323E-03 4608 0.865E-02 0.344E-01 RMM: 6 -0.381412404877E+03 0.71116E-03 -0.51685E-04 4522 0.592E-02 0.112E-01 RMM: 7 -0.381412518558E+03 -0.11368E-03 -0.22485E-04 3889 0.387E-02 0.179E-01 RMM: 8 -0.381412314517E+03 0.20404E-03 -0.12621E-04 3861 0.336E-02 0.548E-02 RMM: 9 -0.381412306289E+03 0.82274E-05 -0.27414E-05 2878 0.151E-02 351 T= 6239. E= 0.68776634E+03 F= 0.63615276E+03 E0= 0.66676845E+03 EK= 0.51614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380110533276E+03 0.13018E+01 -0.16228E-01 8460 0.225E+01 0.436E-01 RMM: 2 -0.380142409820E+03 -0.31877E-01 -0.10042E-01 4984 0.698E-01 0.197E+00 RMM: 3 -0.380116497269E+03 0.25913E-01 -0.16218E-02 5357 0.309E-01 0.414E-01 RMM: 4 -0.380115987601E+03 0.50967E-03 -0.27401E-03 5260 0.116E-01 0.328E-01 RMM: 5 -0.380115851473E+03 0.13613E-03 -0.75985E-04 4592 0.719E-02 0.310E-01 RMM: 6 -0.380115228203E+03 0.62327E-03 -0.29402E-04 3896 0.455E-02 0.607E-02 RMM: 7 -0.380115296258E+03 -0.68055E-04 -0.99297E-05 3701 0.257E-02 0.123E-01 RMM: 8 -0.380115200342E+03 0.95915E-04 -0.43039E-05 3164 0.205E-02 0.316E-02 RMM: 9 -0.380115195762E+03 0.45800E-05 -0.91956E-06 2468 0.868E-03 352 T= 6503. E= 0.69085601E+03 F= 0.63706244E+03 E0= 0.66764266E+03 EK= 0.53794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378743793151E+03 0.13714E+01 -0.16009E-01 8148 0.229E+01 0.395E-01 RMM: 2 -0.378763986808E+03 -0.20194E-01 -0.91691E-02 5098 0.677E-01 0.148E+00 RMM: 3 -0.378749270941E+03 0.14716E-01 -0.10540E-02 5363 0.238E-01 0.305E-01 RMM: 4 -0.378749837273E+03 -0.56633E-03 -0.23420E-03 5099 0.114E-01 0.448E-01 RMM: 5 -0.378748894980E+03 0.94229E-03 -0.99410E-04 4608 0.842E-02 0.264E-01 RMM: 6 -0.378748507278E+03 0.38770E-03 -0.36137E-04 4073 0.490E-02 0.107E-01 RMM: 7 -0.378748581810E+03 -0.74532E-04 -0.18313E-04 3883 0.383E-02 0.159E-01 RMM: 8 -0.378748423471E+03 0.15834E-03 -0.84283E-05 3594 0.272E-02 0.449E-02 RMM: 9 -0.378748419819E+03 0.36522E-05 -0.18444E-05 2538 0.124E-02 353 T= 6771. E= 0.69406516E+03 F= 0.63804828E+03 E0= 0.66859155E+03 EK= 0.56017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377353344101E+03 0.13951E+01 -0.15739E-01 7920 0.233E+01 0.345E-01 RMM: 2 -0.377369951484E+03 -0.16607E-01 -0.86981E-02 5002 0.659E-01 0.128E+00 RMM: 3 -0.377358845403E+03 0.11106E-01 -0.94740E-03 5372 0.224E-01 0.267E-01 RMM: 4 -0.377359346773E+03 -0.50137E-03 -0.18902E-03 5021 0.103E-01 0.400E-01 RMM: 5 -0.377358501350E+03 0.84542E-03 -0.81339E-04 4604 0.770E-02 0.203E-01 RMM: 6 -0.377358272827E+03 0.22852E-03 -0.25421E-04 3890 0.414E-02 0.927E-02 RMM: 7 -0.377358345807E+03 -0.72980E-04 -0.12578E-04 3844 0.319E-02 0.149E-01 RMM: 8 -0.377358208383E+03 0.13742E-03 -0.58871E-05 3410 0.230E-02 0.380E-02 RMM: 9 -0.377358205844E+03 0.25389E-05 -0.13328E-05 2498 0.106E-02 354 T= 6950. E= 0.69656048E+03 F= 0.63906293E+03 E0= 0.66956948E+03 EK= 0.57498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375977385810E+03 0.13808E+01 -0.15533E-01 7548 0.235E+01 0.355E-01 RMM: 2 -0.375993927834E+03 -0.16542E-01 -0.92214E-02 5007 0.687E-01 0.125E+00 RMM: 3 -0.375983319120E+03 0.10609E-01 -0.98815E-03 5371 0.227E-01 0.285E-01 RMM: 4 -0.375983695045E+03 -0.37592E-03 -0.20018E-03 5056 0.107E-01 0.398E-01 RMM: 5 -0.375983065179E+03 0.62987E-03 -0.97243E-04 4608 0.847E-02 0.269E-01 RMM: 6 -0.375982647426E+03 0.41775E-03 -0.35412E-04 3988 0.488E-02 0.980E-02 RMM: 7 -0.375982697933E+03 -0.50507E-04 -0.18605E-04 3879 0.403E-02 0.140E-01 RMM: 8 -0.375982573553E+03 0.12438E-03 -0.72263E-05 3544 0.255E-02 0.409E-02 RMM: 9 -0.375982571751E+03 0.18025E-05 -0.16596E-05 2517 0.120E-02 355 T= 6968. E= 0.69770962E+03 F= 0.64006499E+03 E0= 0.67053691E+03 EK= 0.57645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374654100233E+03 0.13285E+01 -0.15153E-01 7728 0.235E+01 0.359E-01 RMM: 2 -0.374670218816E+03 -0.16119E-01 -0.90232E-02 4995 0.689E-01 0.124E+00 RMM: 3 -0.374659817189E+03 0.10402E-01 -0.10308E-02 5384 0.231E-01 0.269E-01 RMM: 4 -0.374660430898E+03 -0.61371E-03 -0.19318E-03 5016 0.105E-01 0.427E-01 RMM: 5 -0.374659453033E+03 0.97787E-03 -0.90957E-04 4608 0.812E-02 0.209E-01 RMM: 6 -0.374659236055E+03 0.21698E-03 -0.28047E-04 3891 0.433E-02 0.111E-01 RMM: 7 -0.374659304240E+03 -0.68185E-04 -0.14976E-04 3877 0.353E-02 0.158E-01 RMM: 8 -0.374659147476E+03 0.15676E-03 -0.67675E-05 3522 0.245E-02 0.400E-02 RMM: 9 -0.374659145661E+03 0.18149E-05 -0.14610E-05 2512 0.111E-02 356 T= 6819. E= 0.69742319E+03 F= 0.64101242E+03 E0= 0.67145140E+03 EK= 0.56411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373431486343E+03 0.12277E+01 -0.14770E-01 7668 0.232E+01 0.380E-01 RMM: 2 -0.373446076119E+03 -0.14590E-01 -0.88552E-02 5221 0.672E-01 0.118E+00 RMM: 3 -0.373436723536E+03 0.93526E-02 -0.88141E-03 5367 0.212E-01 0.294E-01 RMM: 4 -0.373437369385E+03 -0.64585E-03 -0.22383E-03 4986 0.114E-01 0.453E-01 RMM: 5 -0.373436380496E+03 0.98889E-03 -0.97806E-04 4600 0.837E-02 0.258E-01 RMM: 6 -0.373436014717E+03 0.36578E-03 -0.32711E-04 3954 0.471E-02 0.105E-01 RMM: 7 -0.373436108606E+03 -0.93888E-04 -0.16664E-04 3882 0.366E-02 0.164E-01 RMM: 8 -0.373435940312E+03 0.16829E-03 -0.77162E-05 3579 0.261E-02 0.481E-02 RMM: 9 -0.373435931782E+03 0.85300E-05 -0.16809E-05 2528 0.119E-02 357 T= 6569. E= 0.69619763E+03 F= 0.64185329E+03 E0= 0.67226253E+03 EK= 0.54344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372369905975E+03 0.10660E+01 -0.14369E-01 8064 0.228E+01 0.405E-01 RMM: 2 -0.372387453418E+03 -0.17547E-01 -0.85180E-02 5337 0.657E-01 0.140E+00 RMM: 3 -0.372374417512E+03 0.13036E-01 -0.93827E-03 5363 0.222E-01 0.282E-01 RMM: 4 -0.372375647100E+03 -0.12296E-02 -0.24267E-03 5001 0.119E-01 0.534E-01 RMM: 5 -0.372374006206E+03 0.16409E-02 -0.93157E-04 4608 0.807E-02 0.210E-01 RMM: 6 -0.372373766210E+03 0.24000E-03 -0.27787E-04 3908 0.429E-02 0.104E-01 RMM: 7 -0.372373851443E+03 -0.85233E-04 -0.14753E-04 3883 0.334E-02 0.161E-01 RMM: 8 -0.372373690664E+03 0.16078E-03 -0.71377E-05 3520 0.250E-02 0.466E-02 RMM: 9 -0.372373683875E+03 0.67884E-05 -0.15932E-05 2520 0.114E-02 358 T= 6320. E= 0.69481097E+03 F= 0.64252475E+03 E0= 0.67290671E+03 EK= 0.52286E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371532042057E+03 0.84165E+00 -0.13941E-01 8292 0.224E+01 0.414E-01 RMM: 2 -0.371547721195E+03 -0.15679E-01 -0.83951E-02 5375 0.649E-01 0.132E+00 RMM: 3 -0.371536328070E+03 0.11393E-01 -0.89755E-03 5363 0.219E-01 0.327E-01 RMM: 4 -0.371537196387E+03 -0.86832E-03 -0.25251E-03 4889 0.120E-01 0.509E-01 RMM: 5 -0.371535971152E+03 0.12252E-02 -0.95116E-04 4601 0.808E-02 0.285E-01 RMM: 6 -0.371535478521E+03 0.49263E-03 -0.34208E-04 3968 0.479E-02 0.871E-02 RMM: 7 -0.371535585895E+03 -0.10737E-03 -0.16732E-04 3891 0.350E-02 0.159E-01 RMM: 8 -0.371535422889E+03 0.16301E-03 -0.81242E-05 3601 0.264E-02 0.470E-02 RMM: 9 -0.371535414456E+03 0.84325E-05 -0.18400E-05 2554 0.123E-02 359 T= 6163. E= 0.69395094E+03 F= 0.64296420E+03 E0= 0.67332292E+03 EK= 0.50987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370971355152E+03 0.56407E+00 -0.13901E-01 8340 0.223E+01 0.410E-01 RMM: 2 -0.370988239145E+03 -0.16884E-01 -0.78983E-02 5364 0.627E-01 0.140E+00 RMM: 3 -0.370975257732E+03 0.12981E-01 -0.92516E-03 5375 0.221E-01 0.302E-01 RMM: 4 -0.370976323366E+03 -0.10656E-02 -0.25021E-03 4879 0.121E-01 0.518E-01 RMM: 5 -0.370974870215E+03 0.14532E-02 -0.94159E-04 4607 0.802E-02 0.244E-01 RMM: 6 -0.370974521269E+03 0.34895E-03 -0.28356E-04 3923 0.436E-02 0.964E-02 RMM: 7 -0.370974599764E+03 -0.78496E-04 -0.16260E-04 3892 0.341E-02 0.148E-01 RMM: 8 -0.370974460461E+03 0.13930E-03 -0.75015E-05 3553 0.257E-02 0.542E-02 RMM: 9 -0.370974445236E+03 0.15226E-04 -0.15344E-05 2525 0.113E-02 360 T= 6151. E= 0.69400611E+03 F= 0.64312095E+03 E0= 0.67346046E+03 EK= 0.50885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370719132283E+03 0.25533E+00 -0.14129E-01 8652 0.224E+01 0.401E-01 RMM: 2 -0.370732705380E+03 -0.13573E-01 -0.74329E-02 5406 0.601E-01 0.123E+00 RMM: 3 -0.370722749463E+03 0.99559E-02 -0.82776E-03 5364 0.210E-01 0.311E-01 RMM: 4 -0.370723696834E+03 -0.94737E-03 -0.23057E-03 4745 0.115E-01 0.510E-01 RMM: 5 -0.370722381886E+03 0.13149E-02 -0.95432E-04 4599 0.811E-02 0.262E-01 RMM: 6 -0.370721972087E+03 0.40980E-03 -0.32442E-04 3923 0.465E-02 0.951E-02 RMM: 7 -0.370722066332E+03 -0.94244E-04 -0.16345E-04 3896 0.348E-02 0.157E-01 RMM: 8 -0.370721908500E+03 0.15783E-03 -0.81366E-05 3611 0.264E-02 0.531E-02 RMM: 9 -0.370721895607E+03 0.12892E-04 -0.19855E-05 2580 0.130E-02 361 T= 6291. E= 0.69500977E+03 F= 0.64296757E+03 E0= 0.67329334E+03 EK= 0.52042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370774684066E+03 -0.52776E-01 -0.14591E-01 8784 0.227E+01 0.387E-01 RMM: 2 -0.370792425478E+03 -0.17741E-01 -0.73055E-02 5385 0.607E-01 0.146E+00 RMM: 3 -0.370778482422E+03 0.13943E-01 -0.86312E-03 5360 0.218E-01 0.312E-01 RMM: 4 -0.370778934475E+03 -0.45205E-03 -0.22565E-03 4778 0.114E-01 0.427E-01 RMM: 5 -0.370778131537E+03 0.80294E-03 -0.95378E-04 4604 0.828E-02 0.265E-01 RMM: 6 -0.370777706378E+03 0.42516E-03 -0.29331E-04 3909 0.446E-02 0.930E-02 RMM: 7 -0.370777786964E+03 -0.80586E-04 -0.17127E-04 3892 0.361E-02 0.150E-01 RMM: 8 -0.370777648109E+03 0.13886E-03 -0.74451E-05 3557 0.257E-02 0.546E-02 RMM: 9 -0.370777633014E+03 0.15094E-04 -0.15305E-05 2523 0.114E-02 362 T= 6542. E= 0.69662694E+03 F= 0.64250728E+03 E0= 0.67282452E+03 EK= 0.54120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371101197222E+03 -0.32355E+00 -0.14841E-01 8664 0.232E+01 0.383E-01 RMM: 2 -0.371117160641E+03 -0.15963E-01 -0.75368E-02 5361 0.621E-01 0.135E+00 RMM: 3 -0.371105315132E+03 0.11846E-01 -0.91096E-03 5362 0.224E-01 0.304E-01 RMM: 4 -0.371105580188E+03 -0.26506E-03 -0.19229E-03 4678 0.103E-01 0.387E-01 RMM: 5 -0.371104974647E+03 0.60554E-03 -0.10191E-03 4608 0.868E-02 0.269E-01 RMM: 6 -0.371104562580E+03 0.41207E-03 -0.36355E-04 3960 0.494E-02 0.107E-01 RMM: 7 -0.371104653149E+03 -0.90568E-04 -0.17973E-04 3883 0.379E-02 0.165E-01 RMM: 8 -0.371104481218E+03 0.17193E-03 -0.89433E-05 3686 0.280E-02 0.508E-02 RMM: 9 -0.371104470779E+03 0.10439E-04 -0.17292E-05 2536 0.123E-02 363 T= 6818. E= 0.69817757E+03 F= 0.64177828E+03 E0= 0.67209297E+03 EK= 0.56399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371627155099E+03 -0.52267E+00 -0.15610E-01 8424 0.237E+01 0.366E-01 RMM: 2 -0.371643742919E+03 -0.16588E-01 -0.75466E-02 5366 0.619E-01 0.136E+00 RMM: 3 -0.371631526081E+03 0.12217E-01 -0.80359E-03 5376 0.206E-01 0.307E-01 RMM: 4 -0.371631711216E+03 -0.18514E-03 -0.20180E-03 4726 0.108E-01 0.378E-01 RMM: 5 -0.371631207606E+03 0.50361E-03 -0.11610E-03 4607 0.944E-02 0.280E-01 RMM: 6 -0.371630749541E+03 0.45807E-03 -0.34955E-04 3954 0.482E-02 0.102E-01 RMM: 7 -0.371630797124E+03 -0.47583E-04 -0.20482E-04 3890 0.423E-02 0.144E-01 RMM: 8 -0.371630669708E+03 0.12742E-03 -0.68869E-05 3494 0.250E-02 0.493E-02 RMM: 9 -0.371630661859E+03 0.78489E-05 -0.15971E-05 2512 0.116E-02 364 T= 7006. E= 0.69880790E+03 F= 0.64085043E+03 E0= 0.67116724E+03 EK= 0.57957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372261069447E+03 -0.63040E+00 -0.16275E-01 8412 0.239E+01 0.371E-01 RMM: 2 -0.372276725833E+03 -0.15656E-01 -0.77394E-02 5296 0.636E-01 0.132E+00 RMM: 3 -0.372265450480E+03 0.11275E-01 -0.89712E-03 5369 0.219E-01 0.286E-01 RMM: 4 -0.372265786552E+03 -0.33607E-03 -0.19159E-03 4751 0.104E-01 0.389E-01 RMM: 5 -0.372265055993E+03 0.73056E-03 -0.11064E-03 4608 0.915E-02 0.230E-01 RMM: 6 -0.372264790808E+03 0.26519E-03 -0.33672E-04 3932 0.477E-02 0.122E-01 RMM: 7 -0.372264838859E+03 -0.48051E-04 -0.18622E-04 3876 0.403E-02 0.162E-01 RMM: 8 -0.372264677270E+03 0.16159E-03 -0.82688E-05 3634 0.268E-02 0.421E-02 RMM: 9 -0.372264675363E+03 0.19069E-05 -0.16106E-05 2529 0.120E-02 365 T= 7019. E= 0.69787827E+03 F= 0.63981087E+03 E0= 0.67013442E+03 EK= 0.58067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372915229758E+03 -0.65055E+00 -0.16445E-01 8184 0.239E+01 0.377E-01 RMM: 2 -0.372928344455E+03 -0.13115E-01 -0.72677E-02 5277 0.610E-01 0.120E+00 RMM: 3 -0.372919142001E+03 0.92025E-02 -0.75982E-03 5386 0.198E-01 0.311E-01 RMM: 4 -0.372919715732E+03 -0.57373E-03 -0.23429E-03 4982 0.119E-01 0.451E-01 RMM: 5 -0.372918719963E+03 0.99577E-03 -0.12570E-03 4608 0.974E-02 0.252E-01 RMM: 6 -0.372918355291E+03 0.36467E-03 -0.31703E-04 3911 0.459E-02 0.105E-01 RMM: 7 -0.372918378080E+03 -0.22789E-04 -0.19103E-04 3888 0.411E-02 0.134E-01 RMM: 8 -0.372918265862E+03 0.11222E-03 -0.64047E-05 3450 0.243E-02 0.434E-02 RMM: 9 -0.372918264739E+03 0.11230E-05 -0.16053E-05 2527 0.116E-02 366 T= 6845. E= 0.69536605E+03 F= 0.63874210E+03 E0= 0.66907447E+03 EK= 0.56624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373531504634E+03 -0.61324E+00 -0.16228E-01 7752 0.235E+01 0.392E-01 RMM: 2 -0.373542597743E+03 -0.11093E-01 -0.67821E-02 5323 0.589E-01 0.110E+00 RMM: 3 -0.373534624916E+03 0.79728E-02 -0.73789E-03 5371 0.196E-01 0.279E-01 RMM: 4 -0.373535872321E+03 -0.12474E-02 -0.22749E-03 4884 0.117E-01 0.539E-01 RMM: 5 -0.373534097394E+03 0.17749E-02 -0.11686E-03 4608 0.919E-02 0.180E-01 RMM: 6 -0.373533997958E+03 0.99436E-04 -0.30550E-04 3912 0.449E-02 0.139E-01 RMM: 7 -0.373533981655E+03 0.16303E-04 -0.14100E-04 3864 0.356E-02 367 T= 6553. E= 0.69190810E+03 F= 0.63769627E+03 E0= 0.66803880E+03 EK= 0.54212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374085540182E+03 -0.55154E+00 -0.15846E-01 7848 0.230E+01 0.459E-01 RMM: 2 -0.374095699014E+03 -0.10159E-01 -0.67787E-02 5256 0.589E-01 0.111E+00 RMM: 3 -0.374088057157E+03 0.76419E-02 -0.74348E-03 5368 0.197E-01 0.363E-01 RMM: 4 -0.374089914483E+03 -0.18573E-02 -0.32430E-03 4882 0.141E-01 0.672E-01 RMM: 5 -0.374087248363E+03 0.26661E-02 -0.17215E-03 4610 0.112E-01 0.223E-01 RMM: 6 -0.374087032763E+03 0.21560E-03 -0.43563E-04 4300 0.533E-02 0.146E-01 RMM: 7 -0.374087044878E+03 -0.12116E-04 -0.20097E-04 3880 0.405E-02 0.165E-01 RMM: 8 -0.374086873187E+03 0.17169E-03 -0.83204E-05 3629 0.275E-02 0.451E-02 RMM: 9 -0.374086885863E+03 -0.12675E-04 -0.36817E-05 3031 0.168E-02 368 T= 6255. E= 0.68843712E+03 F= 0.63669525E+03 E0= 0.66705009E+03 EK= 0.51742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374578891105E+03 -0.49202E+00 -0.15276E-01 7788 0.226E+01 0.372E-01 RMM: 2 -0.374585971988E+03 -0.70809E-02 -0.65939E-02 5174 0.568E-01 0.777E-01 RMM: 3 -0.374582199337E+03 0.37727E-02 -0.66515E-03 5394 0.181E-01 0.327E-01 RMM: 4 -0.374583279154E+03 -0.10798E-02 -0.20294E-03 4914 0.113E-01 0.536E-01 RMM: 5 -0.374581479753E+03 0.17994E-02 -0.94770E-04 4608 0.819E-02 0.147E-01 RMM: 6 -0.374581406662E+03 0.73091E-04 -0.25448E-04 3915 0.407E-02 0.111E-01 RMM: 7 -0.374581400223E+03 0.64393E-05 -0.84766E-05 3681 0.274E-02 369 T= 6046. E= 0.68575342E+03 F= 0.63573482E+03 E0= 0.66610128E+03 EK= 0.50019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375032879138E+03 -0.45147E+00 -0.15034E-01 8136 0.223E+01 0.484E-01 RMM: 2 -0.375042260217E+03 -0.93811E-02 -0.62748E-02 5294 0.577E-01 0.112E+00 RMM: 3 -0.375034443680E+03 0.78165E-02 -0.71784E-03 5387 0.194E-01 0.373E-01 RMM: 4 -0.375036682802E+03 -0.22391E-02 -0.36447E-03 4783 0.154E-01 0.716E-01 RMM: 5 -0.375033425601E+03 0.32572E-02 -0.17804E-03 4612 0.112E-01 0.171E-01 RMM: 6 -0.375033406563E+03 0.19038E-04 -0.37604E-04 4052 0.489E-02 0.177E-01 RMM: 7 -0.375033296170E+03 0.11039E-03 -0.18738E-04 3884 0.405E-02 0.138E-01 RMM: 8 -0.375033178227E+03 0.11794E-03 -0.70694E-05 3469 0.247E-02 0.436E-02 RMM: 9 -0.375033198704E+03 -0.20477E-04 -0.37994E-05 3022 0.172E-02 0.786E-02 RMM: 10 -0.375033158035E+03 0.40669E-04 -0.23587E-05 2642 0.156E-02 0.274E-02 RMM: 11 -0.375033153249E+03 0.47857E-05 -0.52555E-06 2433 0.665E-03 370 T= 5986. E= 0.68432104E+03 F= 0.63480299E+03 E0= 0.66518169E+03 EK= 0.49518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375452476133E+03 -0.41932E+00 -0.14910E-01 8292 0.224E+01 0.369E-01 RMM: 2 -0.375457504730E+03 -0.50286E-02 -0.63532E-02 5239 0.559E-01 0.579E-01 RMM: 3 -0.375455719142E+03 0.17856E-02 -0.57815E-03 5418 0.165E-01 0.373E-01 RMM: 4 -0.375456299776E+03 -0.58063E-03 -0.19965E-03 4815 0.117E-01 0.507E-01 RMM: 5 -0.375454708013E+03 0.15918E-02 -0.93738E-04 4604 0.803E-02 0.141E-01 RMM: 6 -0.375454708164E+03 -0.15124E-06 -0.28538E-04 3915 0.434E-02 0.147E-01 RMM: 7 -0.375454607205E+03 0.10096E-03 -0.11824E-04 3834 0.336E-02 0.920E-02 RMM: 8 -0.375454554411E+03 0.52794E-04 -0.23751E-05 2733 0.152E-02 0.303E-02 RMM: 9 -0.375454556502E+03 -0.20913E-05 -0.14426E-05 2476 0.108E-02 371 T= 6086. E= 0.68424427E+03 F= 0.63389315E+03 E0= 0.66428352E+03 EK= 0.50351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375837013064E+03 -0.38246E+00 -0.15408E-01 8580 0.226E+01 0.409E-01 RMM: 2 -0.375843677287E+03 -0.66642E-02 -0.64832E-02 5308 0.565E-01 0.787E-01 RMM: 3 -0.375839741569E+03 0.39357E-02 -0.58713E-03 5392 0.168E-01 0.328E-01 RMM: 4 -0.375841160476E+03 -0.14189E-02 -0.25077E-03 4853 0.130E-01 0.598E-01 RMM: 5 -0.375838863918E+03 0.22966E-02 -0.13020E-03 4609 0.958E-02 0.126E-01 RMM: 6 -0.375838968056E+03 -0.10414E-03 -0.33438E-04 3931 0.472E-02 0.190E-01 RMM: 7 -0.375838802821E+03 0.16524E-03 -0.15285E-04 3860 0.376E-02 0.116E-01 RMM: 8 -0.375838717192E+03 0.85629E-04 -0.53951E-05 3307 0.215E-02 0.383E-02 RMM: 9 -0.375838730459E+03 -0.13267E-04 -0.28034E-05 2763 0.154E-02 372 T= 6319. E= 0.68528990E+03 F= 0.63301814E+03 E0= 0.66342095E+03 EK= 0.52272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376148304503E+03 -0.30959E+00 -0.16696E-01 8532 0.231E+01 0.370E-01 RMM: 2 -0.376156129458E+03 -0.78250E-02 -0.79322E-02 5205 0.630E-01 0.709E-01 RMM: 3 -0.376152816681E+03 0.33128E-02 -0.70225E-03 5539 0.171E-01 0.306E-01 RMM: 4 -0.376153691001E+03 -0.87432E-03 -0.26160E-03 4858 0.137E-01 0.524E-01 RMM: 5 -0.376152014124E+03 0.16769E-02 -0.13403E-03 4608 0.972E-02 0.145E-01 RMM: 6 -0.376152133732E+03 -0.11961E-03 -0.38804E-04 4044 0.517E-02 0.208E-01 RMM: 7 -0.376151900996E+03 0.23274E-03 -0.20431E-04 3883 0.435E-02 0.106E-01 RMM: 8 -0.376151834344E+03 0.66652E-04 -0.40791E-05 3113 0.193E-02 0.390E-02 RMM: 9 -0.376151843096E+03 -0.87520E-05 -0.27478E-05 2650 0.154E-02 373 T= 6609. E= 0.68688917E+03 F= 0.63221577E+03 E0= 0.66262969E+03 EK= 0.54673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376330294544E+03 -0.17846E+00 -0.17324E-01 8688 0.235E+01 0.372E-01 RMM: 2 -0.376338000767E+03 -0.77062E-02 -0.77963E-02 5351 0.610E-01 0.720E-01 RMM: 3 -0.376334458836E+03 0.35419E-02 -0.61352E-03 5540 0.166E-01 0.300E-01 RMM: 4 -0.376335478661E+03 -0.10198E-02 -0.24587E-03 4791 0.131E-01 0.535E-01 RMM: 5 -0.376333699376E+03 0.17793E-02 -0.13773E-03 4608 0.996E-02 0.144E-01 RMM: 6 -0.376333809848E+03 -0.11047E-03 -0.39655E-04 4055 0.521E-02 0.207E-01 RMM: 7 -0.376333596462E+03 0.21339E-03 -0.21006E-04 3892 0.442E-02 0.116E-01 RMM: 8 -0.376333513898E+03 0.82564E-04 -0.50403E-05 3258 0.212E-02 0.398E-02 RMM: 9 -0.376333521714E+03 -0.78159E-05 -0.29803E-05 2726 0.161E-02 374 T= 6851. E= 0.68822456E+03 F= 0.63154704E+03 E0= 0.66197159E+03 EK= 0.56678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376309270076E+03 0.24244E-01 -0.17753E-01 8448 0.238E+01 0.373E-01 RMM: 2 -0.376317700687E+03 -0.84306E-02 -0.84362E-02 5312 0.625E-01 0.731E-01 RMM: 3 -0.376313908990E+03 0.37917E-02 -0.64785E-03 5536 0.169E-01 0.307E-01 RMM: 4 -0.376314863315E+03 -0.95432E-03 -0.27546E-03 4801 0.140E-01 0.535E-01 RMM: 5 -0.376313111437E+03 0.17519E-02 -0.13790E-03 4608 0.984E-02 0.136E-01 RMM: 6 -0.376313277149E+03 -0.16571E-03 -0.38302E-04 4050 0.513E-02 0.222E-01 RMM: 7 -0.376312994433E+03 0.28272E-03 -0.21223E-04 3893 0.445E-02 0.920E-02 RMM: 8 -0.376312945117E+03 0.49316E-04 -0.35660E-05 3007 0.183E-02 0.409E-02 RMM: 9 -0.376312950313E+03 -0.51963E-05 -0.30183E-05 2634 0.161E-02 375 T= 6943. E= 0.68851982E+03 F= 0.63107989E+03 E0= 0.66151291E+03 EK= 0.57440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376029995493E+03 0.28295E+00 -0.17850E-01 8184 0.239E+01 0.396E-01 RMM: 2 -0.376037936582E+03 -0.79411E-02 -0.89374E-02 5194 0.634E-01 0.655E-01 RMM: 3 -0.376034882309E+03 0.30543E-02 -0.72732E-03 5492 0.184E-01 0.358E-01 RMM: 4 -0.376035863335E+03 -0.98103E-03 -0.26339E-03 5003 0.134E-01 0.565E-01 RMM: 5 -0.376033858611E+03 0.20047E-02 -0.13431E-03 4607 0.969E-02 0.135E-01 RMM: 6 -0.376033953239E+03 -0.94628E-04 -0.36609E-04 4043 0.496E-02 0.193E-01 RMM: 7 -0.376033762230E+03 0.19101E-03 -0.17788E-04 3876 0.408E-02 0.104E-01 RMM: 8 -0.376033696511E+03 0.65719E-04 -0.37458E-05 3046 0.186E-02 0.400E-02 RMM: 9 -0.376033705527E+03 -0.90159E-05 -0.28607E-05 2727 0.154E-02 376 T= 6841. E= 0.68746140E+03 F= 0.63086562E+03 E0= 0.66130411E+03 EK= 0.56596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375477394284E+03 0.55630E+00 -0.17339E-01 7956 0.236E+01 0.439E-01 RMM: 2 -0.375486137444E+03 -0.87432E-02 -0.90630E-02 5353 0.618E-01 0.794E-01 RMM: 3 -0.375481647250E+03 0.44902E-02 -0.70055E-03 5373 0.189E-01 0.402E-01 RMM: 4 -0.375482794731E+03 -0.11475E-02 -0.28706E-03 5040 0.138E-01 0.603E-01 RMM: 5 -0.375480471170E+03 0.23236E-02 -0.13780E-03 4604 0.989E-02 0.132E-01 RMM: 6 -0.375480544158E+03 -0.72988E-04 -0.29078E-04 3913 0.433E-02 0.177E-01 RMM: 7 -0.375480374695E+03 0.16946E-03 -0.13153E-04 3880 0.350E-02 0.935E-02 RMM: 8 -0.375480321798E+03 0.52897E-04 -0.38497E-05 3099 0.184E-02 0.385E-02 RMM: 9 -0.375480336733E+03 -0.14935E-04 -0.24602E-05 2628 0.141E-02 377 T= 6587. E= 0.68541028E+03 F= 0.63091436E+03 E0= 0.66135461E+03 EK= 0.54496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374682822153E+03 0.79750E+00 -0.16745E-01 7992 0.231E+01 0.494E-01 RMM: 2 -0.374693614299E+03 -0.10792E-01 -0.97252E-02 5312 0.669E-01 0.985E-01 RMM: 3 -0.374687102692E+03 0.65116E-02 -0.92547E-03 5398 0.212E-01 0.393E-01 RMM: 4 -0.374688834636E+03 -0.17319E-02 -0.33125E-03 5104 0.143E-01 0.672E-01 RMM: 5 -0.374686000349E+03 0.28343E-02 -0.15259E-03 4609 0.104E-01 0.183E-01 RMM: 6 -0.374685872808E+03 0.12754E-03 -0.32714E-04 4001 0.458E-02 0.134E-01 RMM: 7 -0.374685868801E+03 0.40069E-05 -0.13062E-04 3877 0.326E-02 378 T= 6285. E= 0.68318257E+03 F= 0.63118982E+03 E0= 0.66162765E+03 EK= 0.51993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373714452902E+03 0.97142E+00 -0.15850E-01 7860 0.227E+01 0.551E-01 RMM: 2 -0.373723870306E+03 -0.94174E-02 -0.99847E-02 5275 0.691E-01 0.952E-01 RMM: 3 -0.373718965331E+03 0.49050E-02 -0.10711E-02 5386 0.232E-01 0.543E-01 RMM: 4 -0.373721179449E+03 -0.22141E-02 -0.38722E-03 5025 0.153E-01 0.805E-01 RMM: 5 -0.373716878681E+03 0.43008E-02 -0.21286E-03 4612 0.123E-01 0.138E-01 RMM: 6 -0.373716982587E+03 -0.10391E-03 -0.40601E-04 4181 0.502E-02 0.201E-01 RMM: 7 -0.373716793877E+03 0.18871E-03 -0.16323E-04 3888 0.362E-02 0.124E-01 RMM: 8 -0.373716699712E+03 0.94165E-04 -0.67256E-05 3478 0.232E-02 0.480E-02 RMM: 9 -0.373716725271E+03 -0.25560E-04 -0.42243E-05 3123 0.177E-02 0.860E-02 RMM: 10 -0.373716675360E+03 0.49911E-04 -0.27651E-05 2804 0.174E-02 0.230E-02 RMM: 11 -0.373716672110E+03 0.32509E-05 -0.47967E-06 2430 0.633E-03 379 T= 6043. E= 0.68161964E+03 F= 0.63162610E+03 E0= 0.66205796E+03 EK= 0.49994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372643327216E+03 0.10733E+01 -0.14848E-01 7800 0.224E+01 0.475E-01 RMM: 2 -0.372651498778E+03 -0.81716E-02 -0.82978E-02 5193 0.646E-01 0.898E-01 RMM: 3 -0.372647011577E+03 0.44872E-02 -0.90831E-03 5394 0.210E-01 0.453E-01 RMM: 4 -0.372648345492E+03 -0.13339E-02 -0.32118E-03 5122 0.139E-01 0.649E-01 RMM: 5 -0.372645672933E+03 0.26726E-02 -0.15100E-03 4616 0.104E-01 0.194E-01 RMM: 6 -0.372645459278E+03 0.21365E-03 -0.30712E-04 4007 0.453E-02 0.891E-02 RMM: 7 -0.372645479974E+03 -0.20696E-04 -0.75992E-05 3574 0.252E-02 0.115E-01 RMM: 8 -0.372645394658E+03 0.85316E-04 -0.33899E-05 2980 0.181E-02 0.314E-02 RMM: 9 -0.372645398808E+03 -0.41499E-05 -0.16753E-05 2510 0.114E-02 380 T= 5940. E= 0.68129557E+03 F= 0.63215502E+03 E0= 0.66257737E+03 EK= 0.49141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371521739612E+03 0.11237E+01 -0.14321E-01 7920 0.225E+01 0.501E-01 RMM: 2 -0.371528004592E+03 -0.62650E-02 -0.63086E-02 5334 0.565E-01 0.910E-01 RMM: 3 -0.371523266734E+03 0.47379E-02 -0.69275E-03 5379 0.189E-01 0.428E-01 RMM: 4 -0.371525391327E+03 -0.21246E-02 -0.30765E-03 4913 0.140E-01 0.735E-01 RMM: 5 -0.371521861324E+03 0.35300E-02 -0.15882E-03 4608 0.106E-01 0.123E-01 RMM: 6 -0.371521953471E+03 -0.92147E-04 -0.30896E-04 3914 0.440E-02 0.184E-01 RMM: 7 -0.371521781979E+03 0.17149E-03 -0.12867E-04 3853 0.345E-02 0.105E-01 RMM: 8 -0.371521714208E+03 0.67771E-04 -0.47152E-05 3243 0.199E-02 0.420E-02 RMM: 9 -0.371521731622E+03 -0.17414E-04 -0.30912E-05 2868 0.157E-02 381 T= 6008. E= 0.68243967E+03 F= 0.63273423E+03 E0= 0.66314420E+03 EK= 0.49705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370357075873E+03 0.11646E+01 -0.14636E-01 8004 0.229E+01 0.435E-01 RMM: 2 -0.370362785429E+03 -0.57096E-02 -0.63479E-02 5187 0.585E-01 0.775E-01 RMM: 3 -0.370359582685E+03 0.32027E-02 -0.69542E-03 5385 0.184E-01 0.397E-01 RMM: 4 -0.370360935563E+03 -0.13529E-02 -0.29019E-03 4918 0.137E-01 0.624E-01 RMM: 5 -0.370358453416E+03 0.24821E-02 -0.15430E-03 4608 0.105E-01 0.165E-01 RMM: 6 -0.370358398058E+03 0.55358E-04 -0.32748E-04 3948 0.464E-02 0.150E-01 RMM: 7 -0.370358325755E+03 0.72303E-04 -0.13880E-04 3869 0.363E-02 0.119E-01 RMM: 8 -0.370358233762E+03 0.91992E-04 -0.43598E-05 3205 0.198E-02 0.388E-02 RMM: 9 -0.370358240463E+03 -0.67011E-05 -0.24688E-05 2698 0.143E-02 382 T= 6234. E= 0.68493271E+03 F= 0.63335892E+03 E0= 0.66375428E+03 EK= 0.51574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369132351081E+03 0.12259E+01 -0.15292E-01 8448 0.234E+01 0.424E-01 RMM: 2 -0.369140465439E+03 -0.81144E-02 -0.67997E-02 5335 0.592E-01 0.932E-01 RMM: 3 -0.369135140681E+03 0.53248E-02 -0.70119E-03 5358 0.189E-01 0.337E-01 RMM: 4 -0.369136637828E+03 -0.14971E-02 -0.27226E-03 4966 0.132E-01 0.608E-01 RMM: 5 -0.369134288731E+03 0.23491E-02 -0.15317E-03 4608 0.105E-01 0.165E-01 RMM: 6 -0.369134291595E+03 -0.28645E-05 -0.38789E-04 4105 0.507E-02 0.179E-01 RMM: 7 -0.369134175946E+03 0.11565E-03 -0.18803E-04 3872 0.412E-02 0.136E-01 RMM: 8 -0.369134058717E+03 0.11723E-03 -0.66935E-05 3462 0.243E-02 0.420E-02 RMM: 9 -0.369134066979E+03 -0.82620E-05 -0.24282E-05 2656 0.142E-02 383 T= 6555. E= 0.68828037E+03 F= 0.63405550E+03 E0= 0.66443489E+03 EK= 0.54225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367816971487E+03 0.13171E+01 -0.16667E-01 8436 0.241E+01 0.403E-01 RMM: 2 -0.367826972545E+03 -0.10001E-01 -0.82280E-02 5391 0.642E-01 0.930E-01 RMM: 3 -0.367821410972E+03 0.55616E-02 -0.75759E-03 5457 0.186E-01 0.323E-01 RMM: 4 -0.367822413713E+03 -0.10027E-02 -0.27739E-03 4847 0.136E-01 0.538E-01 RMM: 5 -0.367820688826E+03 0.17249E-02 -0.14619E-03 4608 0.103E-01 0.213E-01 RMM: 6 -0.367820584392E+03 0.10443E-03 -0.48667E-04 4356 0.565E-02 0.181E-01 RMM: 7 -0.367820496978E+03 0.87414E-04 -0.22591E-04 3889 0.443E-02 0.153E-01 RMM: 8 -0.367820346259E+03 0.15072E-03 -0.76357E-05 3575 0.263E-02 0.433E-02 RMM: 9 -0.367820356639E+03 -0.10381E-04 -0.28110E-05 2786 0.154E-02 384 T= 6862. E= 0.69162496E+03 F= 0.63485433E+03 E0= 0.66521620E+03 EK= 0.56771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366405917817E+03 0.14144E+01 -0.17719E-01 8736 0.245E+01 0.414E-01 RMM: 2 -0.366419562707E+03 -0.13645E-01 -0.90520E-02 5443 0.666E-01 0.116E+00 RMM: 3 -0.366410743809E+03 0.88189E-02 -0.82772E-03 5373 0.204E-01 0.299E-01 RMM: 4 -0.366411776489E+03 -0.10327E-02 -0.28142E-03 4997 0.134E-01 0.525E-01 RMM: 5 -0.366410151769E+03 0.16247E-02 -0.14474E-03 4609 0.103E-01 0.218E-01 RMM: 6 -0.366410042313E+03 0.10946E-03 -0.45734E-04 4321 0.546E-02 0.187E-01 RMM: 7 -0.366409939895E+03 0.10242E-03 -0.25244E-04 3880 0.468E-02 0.153E-01 RMM: 8 -0.366409791929E+03 0.14797E-03 -0.86843E-05 3643 0.280E-02 0.457E-02 RMM: 9 -0.366409798104E+03 -0.61754E-05 -0.27044E-05 2765 0.151E-02 385 T= 7037. E= 0.69397493E+03 F= 0.63575989E+03 E0= 0.66610330E+03 EK= 0.58215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364930835937E+03 0.14790E+01 -0.18288E-01 8700 0.245E+01 0.435E-01 RMM: 2 -0.364945278580E+03 -0.14443E-01 -0.96437E-02 5354 0.679E-01 0.118E+00 RMM: 3 -0.364935870606E+03 0.94080E-02 -0.92221E-03 5388 0.213E-01 0.331E-01 RMM: 4 -0.364937187063E+03 -0.13165E-02 -0.31158E-03 4991 0.140E-01 0.582E-01 RMM: 5 -0.364935169607E+03 0.20175E-02 -0.15524E-03 4610 0.106E-01 0.225E-01 RMM: 6 -0.364934981703E+03 0.18790E-03 -0.44965E-04 4261 0.541E-02 0.159E-01 RMM: 7 -0.364934966829E+03 0.14874E-04 -0.21330E-04 3892 0.422E-02 0.164E-01 RMM: 8 -0.364934794190E+03 0.17264E-03 -0.88391E-05 3652 0.280E-02 0.436E-02 RMM: 9 -0.364934803083E+03 -0.88934E-05 -0.26341E-05 2761 0.148E-02 386 T= 7005. E= 0.69468211E+03 F= 0.63673380E+03 E0= 0.66705816E+03 EK= 0.57948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363462091658E+03 0.14727E+01 -0.18169E-01 8736 0.242E+01 0.454E-01 RMM: 2 -0.363475152744E+03 -0.13061E-01 -0.92639E-02 5373 0.657E-01 0.115E+00 RMM: 3 -0.363466413601E+03 0.87391E-02 -0.91412E-03 5357 0.214E-01 0.333E-01 RMM: 4 -0.363468130708E+03 -0.17171E-02 -0.32801E-03 5018 0.144E-01 0.630E-01 RMM: 5 -0.363465688737E+03 0.24420E-02 -0.14702E-03 4613 0.103E-01 0.207E-01 RMM: 6 -0.363465523600E+03 0.16514E-03 -0.37692E-04 4093 0.494E-02 0.149E-01 RMM: 7 -0.363465504821E+03 0.18780E-04 -0.18314E-04 3877 0.396E-02 387 T= 6786. E= 0.69383426E+03 F= 0.63769905E+03 E0= 0.66800459E+03 EK= 0.56135E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362086040049E+03 0.13795E+01 -0.17620E-01 8796 0.237E+01 0.522E-01 RMM: 2 -0.362093736341E+03 -0.76963E-02 -0.96517E-02 5458 0.653E-01 0.779E-01 RMM: 3 -0.362090525497E+03 0.32108E-02 -0.87004E-03 5351 0.211E-01 0.546E-01 RMM: 4 -0.362092076830E+03 -0.15513E-02 -0.34198E-03 4950 0.146E-01 0.751E-01 RMM: 5 -0.362088412631E+03 0.36642E-02 -0.20319E-03 4610 0.120E-01 0.154E-01 RMM: 6 -0.362088491178E+03 -0.78547E-04 -0.44858E-04 4331 0.541E-02 0.199E-01 RMM: 7 -0.362088324554E+03 0.16662E-03 -0.20040E-04 3892 0.404E-02 0.138E-01 RMM: 8 -0.362088205313E+03 0.11924E-03 -0.78979E-05 3589 0.257E-02 0.464E-02 RMM: 9 -0.362088233309E+03 -0.27997E-04 -0.39507E-05 3047 0.170E-02 0.875E-02 RMM: 10 -0.362088182683E+03 0.50626E-04 -0.28813E-05 2747 0.170E-02 0.254E-02 RMM: 11 -0.362088178561E+03 0.41223E-05 -0.52366E-06 2432 0.661E-03 388 T= 6480. E= 0.69217027E+03 F= 0.63856403E+03 E0= 0.66885179E+03 EK= 0.53606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360878220368E+03 0.12100E+01 -0.17275E-01 8868 0.231E+01 0.436E-01 RMM: 2 -0.360888275306E+03 -0.10055E-01 -0.10106E-01 5400 0.671E-01 0.852E-01 RMM: 3 -0.360883544028E+03 0.47313E-02 -0.86822E-03 5389 0.206E-01 0.394E-01 RMM: 4 -0.360884859868E+03 -0.13158E-02 -0.25277E-03 5078 0.125E-01 0.612E-01 RMM: 5 -0.360882533924E+03 0.23259E-02 -0.11870E-03 4608 0.927E-02 0.181E-01 RMM: 6 -0.360882357513E+03 0.17641E-03 -0.28957E-04 3932 0.433E-02 0.973E-02 RMM: 7 -0.360882372133E+03 -0.14620E-04 -0.10180E-04 3824 0.296E-02 389 T= 6210. E= 0.69061825E+03 F= 0.63924721E+03 E0= 0.66951846E+03 EK= 0.51371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359902476395E+03 0.97988E+00 -0.16854E-01 8940 0.227E+01 0.543E-01 RMM: 2 -0.359910236980E+03 -0.77606E-02 -0.97860E-02 5543 0.661E-01 0.822E-01 RMM: 3 -0.359906927224E+03 0.33098E-02 -0.90607E-03 5360 0.216E-01 0.563E-01 RMM: 4 -0.359908480779E+03 -0.15536E-02 -0.33555E-03 4994 0.145E-01 0.760E-01 RMM: 5 -0.359904663219E+03 0.38176E-02 -0.19295E-03 4619 0.117E-01 0.139E-01 RMM: 6 -0.359904786023E+03 -0.12280E-03 -0.41857E-04 4235 0.518E-02 0.206E-01 RMM: 7 -0.359904615228E+03 0.17079E-03 -0.17881E-04 3880 0.377E-02 0.143E-01 RMM: 8 -0.359904485093E+03 0.13013E-03 -0.85186E-05 3630 0.261E-02 0.448E-02 RMM: 9 -0.359904509380E+03 -0.24287E-04 -0.36705E-05 3023 0.168E-02 0.815E-02 RMM: 10 -0.359904468469E+03 0.40911E-04 -0.23429E-05 2585 0.156E-02 0.343E-02 RMM: 11 -0.359904460602E+03 0.78665E-05 -0.57915E-06 2441 0.712E-03 390 T= 6067. E= 0.68988747E+03 F= 0.63969421E+03 E0= 0.66995300E+03 EK= 0.50193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359181490145E+03 0.72298E+00 -0.16748E-01 8880 0.226E+01 0.438E-01 RMM: 2 -0.359191727435E+03 -0.10237E-01 -0.10580E-01 5493 0.673E-01 0.814E-01 RMM: 3 -0.359187383168E+03 0.43443E-02 -0.84148E-03 5392 0.202E-01 0.411E-01 RMM: 4 -0.359188611881E+03 -0.12287E-02 -0.26591E-03 4957 0.129E-01 0.610E-01 RMM: 5 -0.359186341501E+03 0.22704E-02 -0.12683E-03 4608 0.956E-02 0.208E-01 RMM: 6 -0.359186085192E+03 0.25631E-03 -0.35976E-04 4019 0.486E-02 0.979E-02 RMM: 7 -0.359186079317E+03 0.58747E-05 -0.12813E-04 3886 0.335E-02 391 T= 6096. E= 0.69031094E+03 F= 0.63987845E+03 E0= 0.67012840E+03 EK= 0.50432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358733284280E+03 0.45280E+00 -0.16613E-01 9084 0.228E+01 0.513E-01 RMM: 2 -0.358741995433E+03 -0.87112E-02 -0.10162E-01 5569 0.666E-01 0.818E-01 RMM: 3 -0.358738136090E+03 0.38593E-02 -0.85100E-03 5366 0.207E-01 0.494E-01 RMM: 4 -0.358739995224E+03 -0.18591E-02 -0.34111E-03 4852 0.147E-01 0.743E-01 RMM: 5 -0.358736367233E+03 0.36280E-02 -0.19030E-03 4611 0.116E-01 0.147E-01 RMM: 6 -0.358736464700E+03 -0.97467E-04 -0.41888E-04 4226 0.516E-02 0.203E-01 RMM: 7 -0.358736313187E+03 0.15151E-03 -0.20976E-04 3888 0.418E-02 0.149E-01 RMM: 8 -0.358736175817E+03 0.13737E-03 -0.91552E-05 3666 0.275E-02 0.508E-02 RMM: 9 -0.358736192085E+03 -0.16268E-04 -0.35527E-05 2990 0.165E-02 392 T= 6290. E= 0.69183354E+03 F= 0.63979694E+03 E0= 0.67004428E+03 EK= 0.52037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358537269167E+03 0.19891E+00 -0.17001E-01 9048 0.233E+01 0.398E-01 RMM: 2 -0.358553143639E+03 -0.15874E-01 -0.10753E-01 5576 0.662E-01 0.117E+00 RMM: 3 -0.358543344011E+03 0.97996E-02 -0.81335E-03 5369 0.200E-01 0.273E-01 RMM: 4 -0.358544850945E+03 -0.15069E-02 -0.25959E-03 4791 0.127E-01 0.583E-01 RMM: 5 -0.358542786525E+03 0.20644E-02 -0.12158E-03 4608 0.948E-02 0.161E-01 RMM: 6 -0.358542736008E+03 0.50518E-04 -0.27788E-04 3906 0.416E-02 0.144E-01 RMM: 7 -0.358542639671E+03 0.96337E-04 -0.13856E-04 3880 0.362E-02 0.936E-02 RMM: 8 -0.358542585753E+03 0.53918E-04 -0.33047E-05 3019 0.176E-02 0.333E-02 RMM: 9 -0.358542589196E+03 -0.34437E-05 -0.15362E-05 2496 0.112E-02 393 T= 6592. E= 0.69400113E+03 F= 0.63946627E+03 E0= 0.66971764E+03 EK= 0.54535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358567616216E+03 -0.25030E-01 -0.17591E-01 9084 0.238E+01 0.456E-01 RMM: 2 -0.358583208142E+03 -0.15592E-01 -0.11313E-01 5497 0.714E-01 0.117E+00 RMM: 3 -0.358573734362E+03 0.94738E-02 -0.94880E-03 5383 0.217E-01 0.357E-01 RMM: 4 -0.358575125822E+03 -0.13915E-02 -0.33640E-03 4896 0.145E-01 0.607E-01 RMM: 5 -0.358573017737E+03 0.21081E-02 -0.16834E-03 4609 0.111E-01 0.260E-01 RMM: 6 -0.358572684301E+03 0.33344E-03 -0.46282E-04 4429 0.550E-02 0.143E-01 RMM: 7 -0.358572710024E+03 -0.25723E-04 -0.26146E-04 3912 0.463E-02 0.167E-01 RMM: 8 -0.358572531931E+03 0.17809E-03 -0.99300E-05 3721 0.298E-02 0.519E-02 RMM: 9 -0.358572529683E+03 0.22486E-05 -0.29890E-05 2876 0.157E-02 394 T= 6898. E= 0.69598443E+03 F= 0.63892001E+03 E0= 0.66918186E+03 EK= 0.57064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358769991903E+03 -0.19746E+00 -0.18625E-01 8748 0.243E+01 0.429E-01 RMM: 2 -0.358787898398E+03 -0.17906E-01 -0.12211E-01 5494 0.729E-01 0.124E+00 RMM: 3 -0.358777106162E+03 0.10792E-01 -0.95322E-03 5454 0.210E-01 0.307E-01 RMM: 4 -0.358778373446E+03 -0.12673E-02 -0.32948E-03 4880 0.144E-01 0.576E-01 RMM: 5 -0.358776460006E+03 0.19134E-02 -0.17231E-03 4610 0.112E-01 0.212E-01 RMM: 6 -0.358776309814E+03 0.15019E-03 -0.40443E-04 4033 0.517E-02 0.160E-01 RMM: 7 -0.358776281946E+03 0.27868E-04 -0.23625E-04 3903 0.449E-02 0.156E-01 RMM: 8 -0.358776124930E+03 0.15702E-03 -0.10208E-04 3811 0.298E-02 0.507E-02 RMM: 9 -0.358776122098E+03 0.28317E-05 -0.20825E-05 2599 0.134E-02 395 T= 7083. E= 0.69680269E+03 F= 0.63820467E+03 E0= 0.66848331E+03 EK= 0.58598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359085839714E+03 -0.30971E+00 -0.18848E-01 8676 0.245E+01 0.447E-01 RMM: 2 -0.359103242345E+03 -0.17403E-01 -0.11994E-01 5457 0.731E-01 0.123E+00 RMM: 3 -0.359092559354E+03 0.10683E-01 -0.10130E-02 5396 0.223E-01 0.336E-01 RMM: 4 -0.359094370574E+03 -0.18112E-02 -0.33709E-03 4976 0.146E-01 0.645E-01 RMM: 5 -0.359091871440E+03 0.24991E-02 -0.15646E-03 4613 0.107E-01 0.225E-01 RMM: 6 -0.359091670679E+03 0.20076E-03 -0.48848E-04 4517 0.564E-02 0.157E-01 RMM: 7 -0.359091664455E+03 0.62238E-05 -0.24929E-04 3887 0.448E-02 0.167E-01 RMM: 8 -0.359091488304E+03 0.17615E-03 -0.10197E-04 3726 0.305E-02 0.445E-02 RMM: 9 -0.359091494549E+03 -0.62452E-05 -0.27594E-05 2797 0.152E-02 396 T= 7063. E= 0.69580174E+03 F= 0.63737542E+03 E0= 0.66767441E+03 EK= 0.58426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359447411032E+03 -0.35592E+00 -0.18332E-01 8328 0.243E+01 0.460E-01 RMM: 2 -0.359463149545E+03 -0.15739E-01 -0.11447E-01 5439 0.717E-01 0.117E+00 RMM: 3 -0.359453524437E+03 0.96251E-02 -0.96451E-03 5385 0.219E-01 0.375E-01 RMM: 4 -0.359454782406E+03 -0.12580E-02 -0.36075E-03 4987 0.149E-01 0.597E-01 RMM: 5 -0.359452742344E+03 0.20401E-02 -0.18384E-03 4623 0.117E-01 0.260E-01 RMM: 6 -0.359452390953E+03 0.35139E-03 -0.42778E-04 4156 0.532E-02 0.134E-01 RMM: 7 -0.359452418508E+03 -0.27555E-04 -0.25182E-04 3897 0.453E-02 0.160E-01 RMM: 8 -0.359452258288E+03 0.16022E-03 -0.11406E-04 3838 0.319E-02 0.553E-02 RMM: 9 -0.359452250400E+03 0.78877E-05 -0.20586E-05 2578 0.134E-02 397 T= 6841. E= 0.69308042E+03 F= 0.63649066E+03 E0= 0.66681011E+03 EK= 0.56590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359797072313E+03 -0.34481E+00 -0.17381E-01 8220 0.240E+01 0.497E-01 RMM: 2 -0.359811513458E+03 -0.14441E-01 -0.10109E-01 5506 0.671E-01 0.123E+00 RMM: 3 -0.359801202484E+03 0.10311E-01 -0.90667E-03 5363 0.217E-01 0.368E-01 RMM: 4 -0.359803812800E+03 -0.26103E-02 -0.38182E-03 4898 0.157E-01 0.754E-01 RMM: 5 -0.359800294922E+03 0.35179E-02 -0.16896E-03 4613 0.110E-01 0.200E-01 RMM: 6 -0.359800161522E+03 0.13340E-03 -0.42825E-04 4380 0.523E-02 0.156E-01 RMM: 7 -0.359800135835E+03 0.25687E-04 -0.19579E-04 3890 0.401E-02 0.156E-01 RMM: 8 -0.359799979014E+03 0.15682E-03 -0.88820E-05 3634 0.282E-02 0.413E-02 RMM: 9 -0.359799996691E+03 -0.17677E-04 -0.27758E-05 2787 0.152E-02 398 T= 6509. E= 0.68944517E+03 F= 0.63560199E+03 E0= 0.66593926E+03 EK= 0.53843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360084787592E+03 -0.28481E+00 -0.16835E-01 8100 0.235E+01 0.503E-01 RMM: 2 -0.360097535931E+03 -0.12748E-01 -0.93917E-02 5447 0.649E-01 0.117E+00 RMM: 3 -0.360088437886E+03 0.90980E-02 -0.88081E-03 5367 0.214E-01 0.409E-01 RMM: 4 -0.360090497215E+03 -0.20593E-02 -0.41413E-03 4845 0.161E-01 0.714E-01 RMM: 5 -0.360087514592E+03 0.29826E-02 -0.20449E-03 4609 0.123E-01 0.260E-01 RMM: 6 -0.360087147094E+03 0.36750E-03 -0.44928E-04 4304 0.545E-02 0.130E-01 RMM: 7 -0.360087192733E+03 -0.45639E-04 -0.21588E-04 3891 0.423E-02 0.163E-01 RMM: 8 -0.360087016040E+03 0.17669E-03 -0.87510E-05 3707 0.284E-02 0.477E-02 RMM: 9 -0.360087018648E+03 -0.26082E-05 -0.24008E-05 2672 0.142E-02 399 T= 6187. E= 0.68593946E+03 F= 0.63475384E+03 E0= 0.66510359E+03 EK= 0.51186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360270825086E+03 -0.18381E+00 -0.16264E-01 8256 0.232E+01 0.528E-01 RMM: 2 -0.360282948924E+03 -0.12124E-01 -0.86732E-02 5471 0.627E-01 0.121E+00 RMM: 3 -0.360273415893E+03 0.95330E-02 -0.89294E-03 5363 0.219E-01 0.434E-01 RMM: 4 -0.360276137418E+03 -0.27215E-02 -0.42472E-03 4816 0.165E-01 0.794E-01 RMM: 5 -0.360272256799E+03 0.38806E-02 -0.19842E-03 4614 0.120E-01 0.230E-01 RMM: 6 -0.360272011543E+03 0.24526E-03 -0.45447E-04 4477 0.539E-02 0.144E-01 RMM: 7 -0.360272003684E+03 0.78591E-05 -0.21168E-04 3887 0.410E-02 0.156E-01 RMM: 8 -0.360271851016E+03 0.15267E-03 -0.90477E-05 3650 0.287E-02 0.472E-02 RMM: 9 -0.360271859499E+03 -0.84824E-05 -0.29924E-05 2867 0.157E-02 400 T= 5973. E= 0.68339858E+03 F= 0.63398909E+03 E0= 0.66434487E+03 EK= 0.49409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360315069399E+03 -0.43218E-01 -0.16380E-01 8364 0.231E+01 0.539E-01 RMM: 2 -0.360333822472E+03 -0.18753E-01 -0.92672E-02 5305 0.677E-01 0.154E+00 RMM: 3 -0.360318123409E+03 0.15699E-01 -0.11612E-02 5366 0.252E-01 0.419E-01 RMM: 4 -0.360319904345E+03 -0.17809E-02 -0.47230E-03 4952 0.170E-01 0.684E-01 RMM: 5 -0.360317358153E+03 0.25462E-02 -0.21195E-03 4645 0.126E-01 0.330E-01 RMM: 6 -0.360316698290E+03 0.65986E-03 -0.56597E-04 4580 0.615E-02 0.123E-01 RMM: 7 -0.360316796856E+03 -0.98566E-04 -0.26518E-04 3916 0.439E-02 0.185E-01 RMM: 8 -0.360316590284E+03 0.20657E-03 -0.12593E-04 3843 0.342E-02 0.676E-02 RMM: 9 -0.360316569715E+03 0.20569E-04 -0.26459E-05 2773 0.152E-02 0.466E-02 RMM: 10 -0.360316577132E+03 -0.74169E-05 -0.24394E-05 2564 0.144E-02 401 T= 5915. E= 0.68228059E+03 F= 0.63335159E+03 E0= 0.66370662E+03 EK= 0.48929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360180703297E+03 0.13587E+00 -0.16457E-01 8208 0.232E+01 0.486E-01 RMM: 2 -0.360190541547E+03 -0.98382E-02 -0.91799E-02 5403 0.635E-01 0.948E-01 RMM: 3 -0.360184637536E+03 0.59040E-02 -0.83047E-03 5361 0.203E-01 0.435E-01 RMM: 4 -0.360186371024E+03 -0.17335E-02 -0.39658E-03 4841 0.162E-01 0.693E-01 RMM: 5 -0.360183330709E+03 0.30403E-02 -0.20388E-03 4616 0.122E-01 0.200E-01 RMM: 6 -0.360183245128E+03 0.85581E-04 -0.40778E-04 4170 0.515E-02 0.175E-01 RMM: 7 -0.360183140685E+03 0.10444E-03 -0.22581E-04 3885 0.445E-02 0.139E-01 RMM: 8 -0.360183022143E+03 0.11854E-03 -0.81003E-05 3561 0.268E-02 0.495E-02 RMM: 9 -0.360183025729E+03 -0.35863E-05 -0.23135E-05 2576 0.141E-02 402 T= 6020. E= 0.68268590E+03 F= 0.63288802E+03 E0= 0.66323483E+03 EK= 0.49798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359829626817E+03 0.35340E+00 -0.17083E-01 8376 0.236E+01 0.493E-01 RMM: 2 -0.359839096751E+03 -0.94699E-02 -0.95491E-02 5488 0.645E-01 0.916E-01 RMM: 3 -0.359833674515E+03 0.54222E-02 -0.88724E-03 5380 0.209E-01 0.417E-01 RMM: 4 -0.359835470938E+03 -0.17964E-02 -0.33426E-03 4945 0.149E-01 0.702E-01 RMM: 5 -0.359832416457E+03 0.30545E-02 -0.15577E-03 4612 0.105E-01 0.190E-01 RMM: 6 -0.359832362961E+03 0.53496E-04 -0.47927E-04 4491 0.554E-02 0.182E-01 RMM: 7 -0.359832258144E+03 0.10482E-03 -0.21058E-04 3893 0.417E-02 0.145E-01 RMM: 8 -0.359832129096E+03 0.12905E-03 -0.67098E-05 3471 0.246E-02 0.476E-02 RMM: 9 -0.359832140810E+03 -0.11714E-04 -0.31204E-05 2878 0.158E-02 403 T= 6255. E= 0.68438979E+03 F= 0.63264584E+03 E0= 0.66297861E+03 EK= 0.51744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359223590657E+03 0.60854E+00 -0.18151E-01 8820 0.241E+01 0.487E-01 RMM: 2 -0.359240267806E+03 -0.16677E-01 -0.10376E-01 5452 0.689E-01 0.133E+00 RMM: 3 -0.359228440021E+03 0.11828E-01 -0.10415E-02 5388 0.229E-01 0.393E-01 RMM: 4 -0.359229974315E+03 -0.15343E-02 -0.39413E-03 4854 0.158E-01 0.646E-01 RMM: 5 -0.359227638302E+03 0.23360E-02 -0.19884E-03 4626 0.121E-01 0.287E-01 RMM: 6 -0.359227201978E+03 0.43632E-03 -0.51641E-04 4542 0.584E-02 0.141E-01 RMM: 7 -0.359227253917E+03 -0.51939E-04 -0.26369E-04 3911 0.453E-02 0.179E-01 RMM: 8 -0.359227055142E+03 0.19878E-03 -0.10907E-04 3791 0.316E-02 0.583E-02 RMM: 9 -0.359227045510E+03 0.96320E-05 -0.24550E-05 2705 0.145E-02 404 T= 6549. E= 0.68684299E+03 F= 0.63266763E+03 E0= 0.66297976E+03 EK= 0.54175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358341911045E+03 0.88514E+00 -0.19473E-01 8736 0.246E+01 0.510E-01 RMM: 2 -0.358362382814E+03 -0.20472E-01 -0.12345E-01 5294 0.745E-01 0.145E+00 RMM: 3 -0.358347931289E+03 0.14452E-01 -0.12777E-02 5375 0.258E-01 0.376E-01 RMM: 4 -0.358349781336E+03 -0.18500E-02 -0.41135E-03 5152 0.158E-01 0.675E-01 RMM: 5 -0.358347370052E+03 0.24113E-02 -0.18597E-03 4629 0.116E-01 0.329E-01 RMM: 6 -0.358346735973E+03 0.63408E-03 -0.61021E-04 4592 0.637E-02 0.132E-01 RMM: 7 -0.358346864757E+03 -0.12878E-03 -0.28505E-04 3913 0.456E-02 0.201E-01 RMM: 8 -0.358346606103E+03 0.25865E-03 -0.13844E-04 3877 0.353E-02 0.592E-02 RMM: 9 -0.358346597631E+03 0.84718E-05 -0.33244E-05 2994 0.166E-02 405 T= 6801. E= 0.68923739E+03 F= 0.63297596E+03 E0= 0.66326220E+03 EK= 0.56261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357189070940E+03 0.11575E+01 -0.20995E-01 8532 0.248E+01 0.515E-01 RMM: 2 -0.357218789306E+03 -0.29718E-01 -0.14126E-01 5211 0.804E-01 0.179E+00 RMM: 3 -0.357196691372E+03 0.22098E-01 -0.15429E-02 5389 0.285E-01 0.386E-01 RMM: 4 -0.357198313821E+03 -0.16224E-02 -0.43739E-03 5229 0.160E-01 0.656E-01 RMM: 5 -0.357196081091E+03 0.22327E-02 -0.20005E-03 4625 0.121E-01 0.327E-01 RMM: 6 -0.357195455137E+03 0.62595E-03 -0.57162E-04 4600 0.616E-02 0.122E-01 RMM: 7 -0.357195528284E+03 -0.73147E-04 -0.24197E-04 3885 0.434E-02 0.175E-01 RMM: 8 -0.357195337479E+03 0.19080E-03 -0.92940E-05 3641 0.295E-02 0.510E-02 RMM: 9 -0.357195338365E+03 -0.88534E-06 -0.25287E-05 2706 0.145E-02 406 T= 6915. E= 0.69076630E+03 F= 0.63356352E+03 E0= 0.66381949E+03 EK= 0.57203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355805103625E+03 0.13902E+01 -0.21945E-01 8628 0.248E+01 0.524E-01 RMM: 2 -0.355828816826E+03 -0.23713E-01 -0.14324E-01 5175 0.815E-01 0.151E+00 RMM: 3 -0.355812671136E+03 0.16146E-01 -0.15169E-02 5386 0.282E-01 0.398E-01 RMM: 4 -0.355814233641E+03 -0.15625E-02 -0.42201E-03 5257 0.157E-01 0.652E-01 RMM: 5 -0.355811996942E+03 0.22367E-02 -0.19319E-03 4642 0.120E-01 0.329E-01 RMM: 6 -0.355811342408E+03 0.65453E-03 -0.56684E-04 4582 0.618E-02 0.119E-01 RMM: 7 -0.355811476875E+03 -0.13447E-03 -0.24634E-04 3895 0.420E-02 0.194E-01 RMM: 8 -0.355811237602E+03 0.23927E-03 -0.12227E-04 3850 0.335E-02 0.595E-02 RMM: 9 -0.355811226615E+03 0.10988E-04 -0.26916E-05 2847 0.151E-02 407 T= 6846. E= 0.69101839E+03 F= 0.63438696E+03 E0= 0.66460992E+03 EK= 0.56631E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354254967875E+03 0.15563E+01 -0.21945E-01 8556 0.245E+01 0.542E-01 RMM: 2 -0.354280649572E+03 -0.25682E-01 -0.14757E-01 5148 0.823E-01 0.161E+00 RMM: 3 -0.354262666934E+03 0.17983E-01 -0.15078E-02 5385 0.284E-01 0.414E-01 RMM: 4 -0.354264863358E+03 -0.21964E-02 -0.48995E-03 5205 0.170E-01 0.736E-01 RMM: 5 -0.354261816198E+03 0.30472E-02 -0.22855E-03 4637 0.131E-01 0.304E-01 RMM: 6 -0.354261282318E+03 0.53388E-03 -0.51070E-04 4578 0.580E-02 0.121E-01 RMM: 7 -0.354261354159E+03 -0.71841E-04 -0.23062E-04 3902 0.420E-02 0.173E-01 RMM: 8 -0.354261167879E+03 0.18628E-03 -0.99101E-05 3655 0.301E-02 0.534E-02 RMM: 9 -0.354261168399E+03 -0.52006E-06 -0.27005E-05 2768 0.150E-02 408 T= 6629. E= 0.69021261E+03 F= 0.63537365E+03 E0= 0.66556339E+03 EK= 0.54839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352629330759E+03 0.16318E+01 -0.21461E-01 8592 0.241E+01 0.554E-01 RMM: 2 -0.352655122265E+03 -0.25792E-01 -0.14069E-01 5167 0.814E-01 0.166E+00 RMM: 3 -0.352636129443E+03 0.18993E-01 -0.16656E-02 5386 0.299E-01 0.408E-01 RMM: 4 -0.352638242470E+03 -0.21130E-02 -0.47615E-03 5246 0.167E-01 0.723E-01 RMM: 5 -0.352635340318E+03 0.29022E-02 -0.20263E-03 4653 0.123E-01 0.310E-01 RMM: 6 -0.352634775095E+03 0.56522E-03 -0.50101E-04 4563 0.577E-02 0.122E-01 RMM: 7 -0.352634886883E+03 -0.11179E-03 -0.24222E-04 3906 0.418E-02 0.187E-01 RMM: 8 -0.352634662642E+03 0.22424E-03 -0.12007E-04 3794 0.326E-02 0.523E-02 RMM: 9 -0.352634659451E+03 0.31902E-05 -0.28123E-05 2865 0.155E-02 409 T= 6359. E= 0.68903767E+03 F= 0.63643045E+03 E0= 0.66658838E+03 EK= 0.52607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351025635566E+03 0.16090E+01 -0.20923E-01 8448 0.236E+01 0.565E-01 RMM: 2 -0.351053782868E+03 -0.28147E-01 -0.14110E-01 5224 0.808E-01 0.179E+00 RMM: 3 -0.351032306969E+03 0.21476E-01 -0.15591E-02 5377 0.291E-01 0.427E-01 RMM: 4 -0.351034755548E+03 -0.24486E-02 -0.53459E-03 5200 0.178E-01 0.762E-01 RMM: 5 -0.351031359476E+03 0.33961E-02 -0.23486E-03 4625 0.132E-01 0.289E-01 RMM: 6 -0.351030876265E+03 0.48321E-03 -0.50725E-04 4550 0.580E-02 0.124E-01 RMM: 7 -0.351030981736E+03 -0.10547E-03 -0.22298E-04 3897 0.403E-02 0.187E-01 RMM: 8 -0.351030763305E+03 0.21843E-03 -0.10980E-04 3748 0.314E-02 0.585E-02 RMM: 9 -0.351030756412E+03 0.68936E-05 -0.28969E-05 2848 0.155E-02 410 T= 6142. E= 0.68826541E+03 F= 0.63745827E+03 E0= 0.66758795E+03 EK= 0.50807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349541736830E+03 0.14890E+01 -0.20321E-01 8496 0.234E+01 0.578E-01 RMM: 2 -0.349571474765E+03 -0.29738E-01 -0.13531E-01 5274 0.805E-01 0.187E+00 RMM: 3 -0.349547824708E+03 0.23650E-01 -0.16806E-02 5375 0.302E-01 0.412E-01 RMM: 4 -0.349550238171E+03 -0.24135E-02 -0.50301E-03 5122 0.172E-01 0.754E-01 RMM: 5 -0.349547152361E+03 0.30858E-02 -0.19563E-03 4632 0.119E-01 0.344E-01 RMM: 6 -0.349546440872E+03 0.71149E-03 -0.60970E-04 4583 0.638E-02 0.124E-01 RMM: 7 -0.349546581529E+03 -0.14066E-03 -0.25874E-04 3901 0.426E-02 0.197E-01 RMM: 8 -0.349546331472E+03 0.25006E-03 -0.12886E-04 3873 0.341E-02 0.609E-02 RMM: 9 -0.349546319834E+03 0.11638E-04 -0.31293E-05 2961 0.160E-02 411 T= 6054. E= 0.68844709E+03 F= 0.63836395E+03 E0= 0.66846961E+03 EK= 0.50083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348257121249E+03 0.12892E+01 -0.20626E-01 8688 0.233E+01 0.555E-01 RMM: 2 -0.348286223369E+03 -0.29102E-01 -0.14235E-01 5245 0.817E-01 0.181E+00 RMM: 3 -0.348264182837E+03 0.22041E-01 -0.16472E-02 5384 0.296E-01 0.416E-01 RMM: 4 -0.348266099289E+03 -0.19165E-02 -0.49528E-03 5192 0.170E-01 0.701E-01 RMM: 5 -0.348263452027E+03 0.26473E-02 -0.21101E-03 4635 0.125E-01 0.334E-01 RMM: 6 -0.348262762569E+03 0.68946E-03 -0.49947E-04 4476 0.575E-02 0.107E-01 RMM: 7 -0.348262895329E+03 -0.13276E-03 -0.24752E-04 3901 0.425E-02 0.187E-01 RMM: 8 -0.348262675624E+03 0.21970E-03 -0.11371E-04 3770 0.321E-02 0.583E-02 RMM: 9 -0.348262666595E+03 0.90287E-05 -0.25942E-05 2707 0.147E-02 412 T= 6132. E= 0.68979723E+03 F= 0.63907231E+03 E0= 0.66915895E+03 EK= 0.50725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347224721321E+03 0.10380E+01 -0.21162E-01 8664 0.236E+01 0.537E-01 RMM: 2 -0.347253215304E+03 -0.28494E-01 -0.14714E-01 5286 0.833E-01 0.174E+00 RMM: 3 -0.347232644330E+03 0.20571E-01 -0.17317E-02 5388 0.301E-01 0.382E-01 RMM: 4 -0.347234358539E+03 -0.17142E-02 -0.44723E-03 5141 0.162E-01 0.662E-01 RMM: 5 -0.347231882389E+03 0.24761E-02 -0.18574E-03 4649 0.116E-01 0.286E-01 RMM: 6 -0.347231447495E+03 0.43489E-03 -0.48558E-04 4482 0.565E-02 0.137E-01 RMM: 7 -0.347231549330E+03 -0.10184E-03 -0.24829E-04 3894 0.429E-02 0.191E-01 RMM: 8 -0.347231313456E+03 0.23587E-03 -0.12496E-04 3830 0.332E-02 0.555E-02 RMM: 9 -0.347231306897E+03 0.65582E-05 -0.29321E-05 2898 0.157E-02 413 T= 6361. E= 0.69216319E+03 F= 0.63953792E+03 E0= 0.66961055E+03 EK= 0.52625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346455933657E+03 0.77538E+00 -0.22674E-01 8844 0.241E+01 0.505E-01 RMM: 2 -0.346486073849E+03 -0.30140E-01 -0.14966E-01 5381 0.826E-01 0.178E+00 RMM: 3 -0.346464315757E+03 0.21758E-01 -0.14493E-02 5361 0.279E-01 0.390E-01 RMM: 4 -0.346465436883E+03 -0.11211E-02 -0.41814E-03 5198 0.156E-01 0.590E-01 RMM: 5 -0.346463666541E+03 0.17703E-02 -0.19782E-03 4635 0.122E-01 0.317E-01 RMM: 6 -0.346463068291E+03 0.59825E-03 -0.48473E-04 4375 0.568E-02 0.116E-01 RMM: 7 -0.346463164374E+03 -0.96082E-04 -0.26471E-04 3894 0.461E-02 0.181E-01 RMM: 8 -0.346462963899E+03 0.20047E-03 -0.10771E-04 3729 0.312E-02 0.576E-02 RMM: 9 -0.346462956280E+03 0.76191E-05 -0.24957E-05 2686 0.145E-02 414 T= 6677. E= 0.69499415E+03 F= 0.63975364E+03 E0= 0.66981700E+03 EK= 0.55241E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345916351352E+03 0.54661E+00 -0.24399E-01 8976 0.246E+01 0.499E-01 RMM: 2 -0.345946405523E+03 -0.30054E-01 -0.15653E-01 5384 0.852E-01 0.175E+00 RMM: 3 -0.345925482719E+03 0.20923E-01 -0.15741E-02 5392 0.285E-01 0.382E-01 RMM: 4 -0.345926221281E+03 -0.73856E-03 -0.35855E-03 5238 0.144E-01 0.538E-01 RMM: 5 -0.345924900751E+03 0.13205E-02 -0.18654E-03 4649 0.118E-01 0.334E-01 RMM: 6 -0.345924260472E+03 0.64028E-03 -0.63411E-04 4586 0.656E-02 0.134E-01 RMM: 7 -0.345924391216E+03 -0.13074E-03 -0.28537E-04 3924 0.468E-02 0.202E-01 RMM: 8 -0.345924130802E+03 0.26041E-03 -0.12778E-04 3866 0.344E-02 0.590E-02 RMM: 9 -0.345924119858E+03 0.10944E-04 -0.28671E-05 2877 0.157E-02 415 T= 6966. E= 0.69738393E+03 F= 0.63975232E+03 E0= 0.66980992E+03 EK= 0.57632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345537041728E+03 0.38709E+00 -0.25737E-01 8988 0.250E+01 0.491E-01 RMM: 2 -0.345567188757E+03 -0.30147E-01 -0.16451E-01 5358 0.866E-01 0.170E+00 RMM: 3 -0.345546821623E+03 0.20367E-01 -0.15483E-02 5378 0.281E-01 0.356E-01 RMM: 4 -0.345547973403E+03 -0.11518E-02 -0.39206E-03 5233 0.152E-01 0.580E-01 RMM: 5 -0.345546412678E+03 0.15607E-02 -0.20148E-03 4636 0.123E-01 0.344E-01 RMM: 6 -0.345545709968E+03 0.70271E-03 -0.54060E-04 4548 0.599E-02 0.116E-01 RMM: 7 -0.345545760794E+03 -0.50826E-04 -0.32903E-04 4171 0.524E-02 0.164E-01 RMM: 8 -0.345545597091E+03 0.16370E-03 -0.10164E-04 3676 0.297E-02 0.523E-02 RMM: 9 -0.345545598436E+03 -0.13448E-05 -0.25526E-05 2693 0.150E-02 416 T= 7104. E= 0.69836458E+03 F= 0.63959827E+03 E0= 0.66965149E+03 EK= 0.58766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345241635739E+03 0.30396E+00 -0.25897E-01 9024 0.250E+01 0.481E-01 RMM: 2 -0.345264322578E+03 -0.22687E-01 -0.16071E-01 5363 0.868E-01 0.137E+00 RMM: 3 -0.345251334497E+03 0.12988E-01 -0.14649E-02 5474 0.265E-01 0.356E-01 RMM: 4 -0.345252626704E+03 -0.12922E-02 -0.34875E-03 5207 0.145E-01 0.601E-01 RMM: 5 -0.345250701794E+03 0.19249E-02 -0.18837E-03 4659 0.118E-01 0.291E-01 RMM: 6 -0.345250239517E+03 0.46228E-03 -0.52053E-04 4505 0.588E-02 0.135E-01 RMM: 7 -0.345250322731E+03 -0.83214E-04 -0.28016E-04 3921 0.474E-02 0.186E-01 RMM: 8 -0.345250103464E+03 0.21927E-03 -0.12139E-04 3850 0.330E-02 0.538E-02 RMM: 9 -0.345250098251E+03 0.52125E-05 -0.26348E-05 2804 0.152E-02 417 T= 7020. E= 0.69743436E+03 F= 0.63936098E+03 E0= 0.66940900E+03 EK= 0.58073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344977490904E+03 0.27261E+00 -0.24900E-01 9108 0.247E+01 0.529E-01 RMM: 2 -0.345006263178E+03 -0.28772E-01 -0.16070E-01 5320 0.863E-01 0.169E+00 RMM: 3 -0.344986540867E+03 0.19722E-01 -0.16032E-02 5420 0.278E-01 0.376E-01 RMM: 4 -0.344988553062E+03 -0.20122E-02 -0.45818E-03 5148 0.167E-01 0.694E-01 RMM: 5 -0.344985904076E+03 0.26490E-02 -0.20703E-03 4628 0.123E-01 0.315E-01 RMM: 6 -0.344985317566E+03 0.58651E-03 -0.52460E-04 4539 0.591E-02 0.117E-01 RMM: 7 -0.344985433450E+03 -0.11588E-03 -0.26526E-04 3917 0.445E-02 0.186E-01 RMM: 8 -0.344985212706E+03 0.22074E-03 -0.11771E-04 3859 0.329E-02 0.577E-02 RMM: 9 -0.344985203824E+03 0.88816E-05 -0.24827E-05 2707 0.147E-02 418 T= 6748. E= 0.69491232E+03 F= 0.63908467E+03 E0= 0.66912534E+03 EK= 0.55828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344729441755E+03 0.25577E+00 -0.23343E-01 8976 0.241E+01 0.539E-01 RMM: 2 -0.344750046885E+03 -0.20605E-01 -0.15176E-01 5285 0.844E-01 0.137E+00 RMM: 3 -0.344737662405E+03 0.12384E-01 -0.15116E-02 5412 0.272E-01 0.426E-01 RMM: 4 -0.344739857908E+03 -0.21955E-02 -0.43680E-03 5140 0.163E-01 0.733E-01 RMM: 5 -0.344736784159E+03 0.30737E-02 -0.19904E-03 4666 0.119E-01 0.306E-01 RMM: 6 -0.344736208362E+03 0.57580E-03 -0.56791E-04 4547 0.617E-02 0.117E-01 RMM: 7 -0.344736330082E+03 -0.12172E-03 -0.23513E-04 3894 0.418E-02 0.186E-01 RMM: 8 -0.344736103291E+03 0.22679E-03 -0.11160E-04 3830 0.318E-02 0.550E-02 RMM: 9 -0.344736095113E+03 0.81777E-05 -0.29395E-05 2879 0.157E-02 419 T= 6402. E= 0.69174310E+03 F= 0.63877814E+03 E0= 0.66880895E+03 EK= 0.52965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344516070069E+03 0.22003E+00 -0.20745E-01 9024 0.236E+01 0.557E-01 RMM: 2 -0.344540966192E+03 -0.24896E-01 -0.12581E-01 5297 0.762E-01 0.168E+00 RMM: 3 -0.344521569695E+03 0.19396E-01 -0.14112E-02 5366 0.272E-01 0.412E-01 RMM: 4 -0.344524336115E+03 -0.27664E-02 -0.50110E-03 5037 0.174E-01 0.790E-01 RMM: 5 -0.344520693183E+03 0.36429E-02 -0.22249E-03 4612 0.128E-01 0.286E-01 RMM: 6 -0.344520207718E+03 0.48546E-03 -0.44889E-04 4421 0.543E-02 0.108E-01 RMM: 7 -0.344520280734E+03 -0.73016E-04 -0.20442E-04 3891 0.388E-02 0.164E-01 RMM: 8 -0.344520109984E+03 0.17075E-03 -0.90713E-05 3613 0.289E-02 0.484E-02 RMM: 9 -0.344520111034E+03 -0.10494E-05 -0.23544E-05 2648 0.141E-02 420 T= 6109. E= 0.68895655E+03 F= 0.63842231E+03 E0= 0.66844171E+03 EK= 0.50534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344360951540E+03 0.15916E+00 -0.18379E-01 8892 0.232E+01 0.558E-01 RMM: 2 -0.344375982842E+03 -0.15031E-01 -0.10783E-01 5325 0.716E-01 0.132E+00 RMM: 3 -0.344365104406E+03 0.10878E-01 -0.11949E-02 5371 0.249E-01 0.465E-01 RMM: 4 -0.344367179313E+03 -0.20749E-02 -0.47610E-03 5036 0.172E-01 0.739E-01 RMM: 5 -0.344363973730E+03 0.32056E-02 -0.21490E-03 4633 0.125E-01 0.304E-01 RMM: 6 -0.344363417601E+03 0.55613E-03 -0.50838E-04 4542 0.582E-02 0.122E-01 RMM: 7 -0.344363517846E+03 -0.10025E-03 -0.23076E-04 3896 0.411E-02 0.181E-01 RMM: 8 -0.344363304971E+03 0.21287E-03 -0.10914E-04 3789 0.315E-02 0.543E-02 RMM: 9 -0.344363298348E+03 0.66233E-05 -0.28325E-05 2847 0.155E-02 421 T= 5957. E= 0.68727234E+03 F= 0.63799426E+03 E0= 0.66800131E+03 EK= 0.49278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344277559698E+03 0.85745E-01 -0.17472E-01 8592 0.232E+01 0.551E-01 RMM: 2 -0.344297939817E+03 -0.20380E-01 -0.96473E-02 5279 0.680E-01 0.161E+00 RMM: 3 -0.344280729499E+03 0.17210E-01 -0.12482E-02 5364 0.258E-01 0.397E-01 RMM: 4 -0.344283690336E+03 -0.29608E-02 -0.46821E-03 5011 0.170E-01 0.796E-01 RMM: 5 -0.344279823102E+03 0.38672E-02 -0.21309E-03 4625 0.126E-01 0.260E-01 RMM: 6 -0.344279460956E+03 0.36215E-03 -0.44200E-04 4411 0.535E-02 0.127E-01 RMM: 7 -0.344279531774E+03 -0.70818E-04 -0.20396E-04 3896 0.392E-02 0.175E-01 RMM: 8 -0.344279332342E+03 0.19943E-03 -0.96168E-05 3688 0.296E-02 0.465E-02 RMM: 9 -0.344279337935E+03 -0.55927E-05 -0.26481E-05 2766 0.149E-02 422 T= 5985. E= 0.68700108E+03 F= 0.63748720E+03 E0= 0.66748238E+03 EK= 0.49514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344255063167E+03 0.24269E-01 -0.17469E-01 8556 0.235E+01 0.527E-01 RMM: 2 -0.344272834945E+03 -0.17772E-01 -0.89568E-02 5226 0.673E-01 0.151E+00 RMM: 3 -0.344258076043E+03 0.14759E-01 -0.11453E-02 5364 0.250E-01 0.383E-01 RMM: 4 -0.344259886888E+03 -0.18108E-02 -0.45274E-03 5096 0.168E-01 0.662E-01 RMM: 5 -0.344257486558E+03 0.24003E-02 -0.20009E-03 4643 0.122E-01 0.323E-01 RMM: 6 -0.344256839931E+03 0.64663E-03 -0.49410E-04 4550 0.578E-02 0.113E-01 RMM: 7 -0.344256923146E+03 -0.83215E-04 -0.24451E-04 3897 0.434E-02 0.172E-01 RMM: 8 -0.344256737496E+03 0.18565E-03 -0.10592E-04 3782 0.316E-02 0.541E-02 RMM: 9 -0.344256730155E+03 0.73406E-05 -0.23772E-05 2689 0.144E-02 423 T= 6183. E= 0.68807067E+03 F= 0.63692073E+03 E0= 0.66690480E+03 EK= 0.51150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344248669954E+03 0.80675E-02 -0.18171E-01 8316 0.240E+01 0.515E-01 RMM: 2 -0.344270576553E+03 -0.21907E-01 -0.86428E-02 5255 0.668E-01 0.167E+00 RMM: 3 -0.344251726844E+03 0.18850E-01 -0.11659E-02 5338 0.255E-01 0.378E-01 RMM: 4 -0.344253861333E+03 -0.21345E-02 -0.42095E-03 5061 0.161E-01 0.704E-01 RMM: 5 -0.344250996808E+03 0.28645E-02 -0.21280E-03 4653 0.127E-01 0.283E-01 RMM: 6 -0.344250566661E+03 0.43015E-03 -0.49816E-04 4518 0.573E-02 0.136E-01 RMM: 7 -0.344250611369E+03 -0.44709E-04 -0.25114E-04 3917 0.450E-02 0.173E-01 RMM: 8 -0.344250419095E+03 0.19227E-03 -0.96290E-05 3758 0.300E-02 0.478E-02 RMM: 9 -0.344250424978E+03 -0.58828E-05 -0.27470E-05 2788 0.153E-02 424 T= 6490. E= 0.69003202E+03 F= 0.63634621E+03 E0= 0.66631969E+03 EK= 0.53686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344183207501E+03 0.67212E-01 -0.19056E-01 8268 0.246E+01 0.493E-01 RMM: 2 -0.344204694410E+03 -0.21487E-01 -0.95659E-02 5243 0.723E-01 0.162E+00 RMM: 3 -0.344187469687E+03 0.17225E-01 -0.12128E-02 5366 0.259E-01 0.368E-01 RMM: 4 -0.344188291052E+03 -0.82136E-03 -0.36464E-03 5247 0.150E-01 0.540E-01 RMM: 5 -0.344187161261E+03 0.11298E-02 -0.20149E-03 4646 0.124E-01 0.382E-01 RMM: 6 -0.344186287001E+03 0.87426E-03 -0.67516E-04 4598 0.683E-02 0.127E-01 RMM: 7 -0.344186364872E+03 -0.77871E-04 -0.33152E-04 4112 0.519E-02 0.184E-01 RMM: 8 -0.344186150020E+03 0.21485E-03 -0.12775E-04 3847 0.337E-02 0.516E-02 RMM: 9 -0.344186147417E+03 0.26031E-05 -0.25497E-05 2758 0.154E-02 425 T= 6798. E= 0.69207846E+03 F= 0.63584019E+03 E0= 0.66580261E+03 EK= 0.56238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343977840381E+03 0.20831E+00 -0.19329E-01 8076 0.251E+01 0.478E-01 RMM: 2 -0.343996443425E+03 -0.18603E-01 -0.97850E-02 5224 0.727E-01 0.145E+00 RMM: 3 -0.343982603548E+03 0.13840E-01 -0.11466E-02 5369 0.243E-01 0.355E-01 RMM: 4 -0.343984174194E+03 -0.15706E-02 -0.38266E-03 5109 0.156E-01 0.639E-01 RMM: 5 -0.343981824483E+03 0.23497E-02 -0.22608E-03 4695 0.132E-01 0.251E-01 RMM: 6 -0.343981595063E+03 0.22942E-03 -0.52211E-04 4571 0.588E-02 0.180E-01 RMM: 7 -0.343981520658E+03 0.74405E-04 -0.30766E-04 4112 0.514E-02 0.165E-01 RMM: 8 -0.343981350815E+03 0.16984E-03 -0.92606E-05 3664 0.285E-02 0.495E-02 RMM: 9 -0.343981356007E+03 -0.51920E-05 -0.29444E-05 2817 0.162E-02 426 T= 6983. E= 0.69325413E+03 F= 0.63548275E+03 E0= 0.66543338E+03 EK= 0.57771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343568356411E+03 0.41299E+00 -0.19295E-01 7956 0.252E+01 0.493E-01 RMM: 2 -0.343590448343E+03 -0.22092E-01 -0.10721E-01 5186 0.769E-01 0.160E+00 RMM: 3 -0.343573568341E+03 0.16880E-01 -0.13095E-02 5384 0.263E-01 0.331E-01 RMM: 4 -0.343574752349E+03 -0.11840E-02 -0.39689E-03 5261 0.158E-01 0.576E-01 RMM: 5 -0.343573111181E+03 0.16412E-02 -0.21524E-03 4656 0.128E-01 0.319E-01 RMM: 6 -0.343572578017E+03 0.53316E-03 -0.61444E-04 4593 0.645E-02 0.159E-01 RMM: 7 -0.343572606855E+03 -0.28838E-04 -0.34681E-04 4156 0.536E-02 0.188E-01 RMM: 8 -0.343572381913E+03 0.22494E-03 -0.13300E-04 3848 0.342E-02 0.534E-02 RMM: 9 -0.343572380386E+03 0.15268E-05 -0.28383E-05 2856 0.163E-02 427 T= 6961. E= 0.69291886E+03 F= 0.63533154E+03 E0= 0.66526874E+03 EK= 0.57587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342937694481E+03 0.63469E+00 -0.19020E-01 7644 0.249E+01 0.503E-01 RMM: 2 -0.342955361237E+03 -0.17667E-01 -0.10802E-01 5123 0.750E-01 0.136E+00 RMM: 3 -0.342942914798E+03 0.12446E-01 -0.12951E-02 5384 0.254E-01 0.378E-01 RMM: 4 -0.342945017219E+03 -0.21024E-02 -0.43340E-03 5121 0.167E-01 0.706E-01 RMM: 5 -0.342941974613E+03 0.30426E-02 -0.21414E-03 4687 0.127E-01 0.236E-01 RMM: 6 -0.342941787454E+03 0.18716E-03 -0.52233E-04 4565 0.582E-02 0.182E-01 RMM: 7 -0.342941723242E+03 0.64212E-04 -0.27030E-04 3951 0.477E-02 0.169E-01 RMM: 8 -0.342941542765E+03 0.18048E-03 -0.90345E-05 3662 0.287E-02 0.467E-02 RMM: 9 -0.342941554893E+03 -0.12128E-04 -0.33004E-05 2930 0.167E-02 428 T= 6740. E= 0.69115686E+03 F= 0.63539697E+03 E0= 0.66531904E+03 EK= 0.55760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342116030233E+03 0.82551E+00 -0.18282E-01 7776 0.244E+01 0.529E-01 RMM: 2 -0.342137660695E+03 -0.21630E-01 -0.10581E-01 5114 0.750E-01 0.160E+00 RMM: 3 -0.342120330879E+03 0.17330E-01 -0.13264E-02 5361 0.266E-01 0.350E-01 RMM: 4 -0.342122375486E+03 -0.20446E-02 -0.46612E-03 5185 0.171E-01 0.688E-01 RMM: 5 -0.342119770551E+03 0.26049E-02 -0.21281E-03 4664 0.126E-01 0.313E-01 RMM: 6 -0.342119222454E+03 0.54810E-03 -0.57841E-04 4601 0.621E-02 0.140E-01 RMM: 7 -0.342119272216E+03 -0.49762E-04 -0.28412E-04 3908 0.478E-02 0.178E-01 RMM: 8 -0.342119069198E+03 0.20302E-03 -0.11741E-04 3784 0.331E-02 0.516E-02 RMM: 9 -0.342119069306E+03 -0.10816E-06 -0.26478E-05 2775 0.153E-02 429 T= 6417. E= 0.68872699E+03 F= 0.63564330E+03 E0= 0.66554747E+03 EK= 0.53084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341165941053E+03 0.95313E+00 -0.17453E-01 7920 0.238E+01 0.551E-01 RMM: 2 -0.341181917783E+03 -0.15977E-01 -0.10304E-01 5089 0.718E-01 0.135E+00 RMM: 3 -0.341169809640E+03 0.12108E-01 -0.13075E-02 5369 0.261E-01 0.436E-01 RMM: 4 -0.341172682730E+03 -0.28731E-02 -0.47795E-03 5107 0.174E-01 0.808E-01 RMM: 5 -0.341168597174E+03 0.40856E-02 -0.22048E-03 4667 0.128E-01 0.237E-01 RMM: 6 -0.341168345700E+03 0.25147E-03 -0.49238E-04 4558 0.562E-02 0.155E-01 RMM: 7 -0.341168370530E+03 -0.24830E-04 -0.21942E-04 3893 0.411E-02 0.180E-01 RMM: 8 -0.341168164401E+03 0.20613E-03 -0.10289E-04 3703 0.305E-02 0.481E-02 RMM: 9 -0.341168171248E+03 -0.68477E-05 -0.31861E-05 2938 0.162E-02 430 T= 6116. E= 0.68660128E+03 F= 0.63600569E+03 E0= 0.66588929E+03 EK= 0.50596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340160995170E+03 0.10072E+01 -0.16805E-01 8040 0.234E+01 0.565E-01 RMM: 2 -0.340179871281E+03 -0.18876E-01 -0.96196E-02 5183 0.688E-01 0.156E+00 RMM: 3 -0.340163708073E+03 0.16163E-01 -0.12488E-02 5358 0.262E-01 0.410E-01 RMM: 4 -0.340166121412E+03 -0.24133E-02 -0.49873E-03 5085 0.174E-01 0.754E-01 RMM: 5 -0.340162859014E+03 0.32624E-02 -0.21882E-03 4628 0.127E-01 0.313E-01 RMM: 6 -0.340162272057E+03 0.58696E-03 -0.51257E-04 4564 0.584E-02 0.123E-01 RMM: 7 -0.340162324588E+03 -0.52531E-04 -0.24302E-04 3902 0.425E-02 0.165E-01 RMM: 8 -0.340162147488E+03 0.17710E-03 -0.11492E-04 3731 0.322E-02 0.485E-02 RMM: 9 -0.340162150223E+03 -0.27344E-05 -0.26233E-05 2764 0.149E-02 431 T= 5938. E= 0.68553916E+03 F= 0.63641417E+03 E0= 0.66627337E+03 EK= 0.49125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339169131495E+03 0.99302E+00 -0.16821E-01 8256 0.232E+01 0.560E-01 RMM: 2 -0.339185672366E+03 -0.16541E-01 -0.96523E-02 5294 0.679E-01 0.143E+00 RMM: 3 -0.339172037116E+03 0.13635E-01 -0.12169E-02 5390 0.253E-01 0.439E-01 RMM: 4 -0.339174864646E+03 -0.28275E-02 -0.47417E-03 5024 0.172E-01 0.800E-01 RMM: 5 -0.339170870010E+03 0.39946E-02 -0.20681E-03 4620 0.123E-01 0.246E-01 RMM: 6 -0.339170545369E+03 0.32464E-03 -0.43364E-04 4356 0.526E-02 0.132E-01 RMM: 7 -0.339170607241E+03 -0.61872E-04 -0.20484E-04 3885 0.385E-02 0.177E-01 RMM: 8 -0.339170405902E+03 0.20134E-03 -0.10518E-04 3735 0.306E-02 0.471E-02 RMM: 9 -0.339170410632E+03 -0.47301E-05 -0.29176E-05 2851 0.156E-02 432 T= 5938. E= 0.68592936E+03 F= 0.63680666E+03 E0= 0.66663765E+03 EK= 0.49123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338258220785E+03 0.91219E+00 -0.17026E-01 8352 0.234E+01 0.566E-01 RMM: 2 -0.338277544607E+03 -0.19324E-01 -0.10789E-01 5298 0.735E-01 0.153E+00 RMM: 3 -0.338262350532E+03 0.15194E-01 -0.13227E-02 5385 0.264E-01 0.471E-01 RMM: 4 -0.338263814628E+03 -0.14641E-02 -0.49901E-03 5203 0.173E-01 0.669E-01 RMM: 5 -0.338261213520E+03 0.26011E-02 -0.20312E-03 4625 0.122E-01 0.319E-01 RMM: 6 -0.338260593677E+03 0.61984E-03 -0.50079E-04 4403 0.582E-02 0.120E-01 RMM: 7 -0.338260704409E+03 -0.11073E-03 -0.25079E-04 3902 0.417E-02 0.186E-01 RMM: 8 -0.338260484251E+03 0.22016E-03 -0.12997E-04 3837 0.337E-02 0.600E-02 RMM: 9 -0.338260471962E+03 0.12289E-04 -0.26783E-05 2796 0.149E-02 433 T= 6124. E= 0.68778415E+03 F= 0.63712444E+03 E0= 0.66692274E+03 EK= 0.50660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337495382111E+03 0.76510E+00 -0.17597E-01 8220 0.238E+01 0.563E-01 RMM: 2 -0.337522476791E+03 -0.27095E-01 -0.12347E-01 5204 0.798E-01 0.178E+00 RMM: 3 -0.337500802104E+03 0.21675E-01 -0.16708E-02 5387 0.294E-01 0.414E-01 RMM: 4 -0.337503054273E+03 -0.22522E-02 -0.49661E-03 5188 0.171E-01 0.731E-01 RMM: 5 -0.337500060485E+03 0.29938E-02 -0.19098E-03 4633 0.118E-01 0.320E-01 RMM: 6 -0.337499422619E+03 0.63787E-03 -0.52260E-04 4500 0.589E-02 0.112E-01 RMM: 7 -0.337499567683E+03 -0.14506E-03 -0.24092E-04 3898 0.400E-02 0.193E-01 RMM: 8 -0.337499330051E+03 0.23763E-03 -0.12210E-04 3838 0.330E-02 0.614E-02 RMM: 9 -0.337499315536E+03 0.14515E-04 -0.31647E-05 2954 0.162E-02 434 T= 6456. E= 0.69071776E+03 F= 0.63730761E+03 E0= 0.66707006E+03 EK= 0.53410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336934174352E+03 0.56516E+00 -0.17836E-01 7944 0.243E+01 0.564E-01 RMM: 2 -0.336961698997E+03 -0.27525E-01 -0.12419E-01 5126 0.836E-01 0.182E+00 RMM: 3 -0.336940356804E+03 0.21342E-01 -0.17672E-02 5385 0.308E-01 0.502E-01 RMM: 4 -0.336940346084E+03 0.10720E-04 -0.47661E-03 5304 0.164E-01 0.519E-01 RMM: 5 -0.336939314580E+03 0.10315E-02 -0.17757E-03 4639 0.113E-01 0.390E-01 RMM: 6 -0.336938343048E+03 0.97153E-03 -0.56345E-04 4487 0.626E-02 0.110E-01 RMM: 7 -0.336938468458E+03 -0.12541E-03 -0.28540E-04 3901 0.443E-02 0.185E-01 RMM: 8 -0.336938254055E+03 0.21440E-03 -0.13798E-04 3871 0.353E-02 0.648E-02 RMM: 9 -0.336938236721E+03 0.17334E-04 -0.26182E-05 2785 0.149E-02 435 T= 6840. E= 0.69389309E+03 F= 0.63730761E+03 E0= 0.66703180E+03 EK= 0.56585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336570216938E+03 0.36804E+00 -0.18928E-01 7920 0.249E+01 0.529E-01 RMM: 2 -0.336601619391E+03 -0.31402E-01 -0.13186E-01 5018 0.865E-01 0.191E+00 RMM: 3 -0.336577232835E+03 0.24387E-01 -0.18619E-02 5381 0.315E-01 0.396E-01 RMM: 4 -0.336578329701E+03 -0.10969E-02 -0.43021E-03 5271 0.157E-01 0.593E-01 RMM: 5 -0.336576773954E+03 0.15557E-02 -0.18411E-03 4644 0.116E-01 0.367E-01 RMM: 6 -0.336575928213E+03 0.84574E-03 -0.61242E-04 4573 0.642E-02 0.113E-01 RMM: 7 -0.336576068913E+03 -0.14070E-03 -0.27767E-04 3905 0.440E-02 0.193E-01 RMM: 8 -0.336575830524E+03 0.23839E-03 -0.12996E-04 3865 0.348E-02 0.589E-02 RMM: 9 -0.336575816719E+03 0.13804E-04 -0.30353E-05 2938 0.162E-02 436 T= 7132. E= 0.69612503E+03 F= 0.63712311E+03 E0= 0.66680832E+03 EK= 0.59002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336321770058E+03 0.25406E+00 -0.19315E-01 7824 0.252E+01 0.487E-01 RMM: 2 -0.336346014989E+03 -0.24245E-01 -0.13484E-01 4989 0.861E-01 0.156E+00 RMM: 3 -0.336329865206E+03 0.16150E-01 -0.16119E-02 5447 0.277E-01 0.390E-01 RMM: 4 -0.336330329494E+03 -0.46429E-03 -0.39383E-03 5291 0.155E-01 0.513E-01 RMM: 5 -0.336329054622E+03 0.12749E-02 -0.20720E-03 4681 0.125E-01 0.312E-01 RMM: 6 -0.336328521440E+03 0.53318E-03 -0.52807E-04 4427 0.593E-02 0.142E-01 RMM: 7 -0.336328547377E+03 -0.25937E-04 -0.32094E-04 3969 0.516E-02 0.170E-01 RMM: 8 -0.336328361655E+03 0.18572E-03 -0.10938E-04 3769 0.315E-02 0.539E-02 RMM: 9 -0.336328360865E+03 0.78924E-06 -0.26408E-05 2751 0.149E-02 437 T= 7196. E= 0.69636464E+03 F= 0.63683035E+03 E0= 0.66647727E+03 EK= 0.59534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336054417929E+03 0.27394E+00 -0.19999E-01 8448 0.251E+01 0.476E-01 RMM: 2 -0.336074009757E+03 -0.19592E-01 -0.12617E-01 5238 0.814E-01 0.136E+00 RMM: 3 -0.336061683131E+03 0.12327E-01 -0.14094E-02 5411 0.265E-01 0.355E-01 RMM: 4 -0.336062974784E+03 -0.12917E-02 -0.35266E-03 5273 0.147E-01 0.597E-01 RMM: 5 -0.336060933396E+03 0.20414E-02 -0.19307E-03 4636 0.120E-01 0.271E-01 RMM: 6 -0.336060647093E+03 0.28630E-03 -0.61253E-04 4587 0.636E-02 0.183E-01 RMM: 7 -0.336060633958E+03 0.13136E-04 -0.33002E-04 4175 0.521E-02 0.191E-01 RMM: 8 -0.336060402866E+03 0.23109E-03 -0.11285E-04 3803 0.308E-02 0.517E-02 RMM: 9 -0.336060407326E+03 -0.44599E-05 -0.37701E-05 3076 0.177E-02 438 T= 6989. E= 0.69437511E+03 F= 0.63655497E+03 E0= 0.66616528E+03 EK= 0.57820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335658184086E+03 0.40222E+00 -0.20800E-01 8880 0.247E+01 0.498E-01 RMM: 2 -0.335679710972E+03 -0.21527E-01 -0.13445E-01 5316 0.819E-01 0.142E+00 RMM: 3 -0.335666201305E+03 0.13510E-01 -0.13946E-02 5431 0.259E-01 0.399E-01 RMM: 4 -0.335667238932E+03 -0.10376E-02 -0.41827E-03 5210 0.160E-01 0.596E-01 RMM: 5 -0.335665226153E+03 0.20128E-02 -0.22582E-03 4689 0.130E-01 0.281E-01 RMM: 6 -0.335664919630E+03 0.30652E-03 -0.59187E-04 4590 0.629E-02 0.189E-01 RMM: 7 -0.335664891237E+03 0.28392E-04 -0.35018E-04 4148 0.534E-02 0.190E-01 RMM: 8 -0.335664663932E+03 0.22730E-03 -0.13575E-04 3869 0.339E-02 0.590E-02 RMM: 9 -0.335664661613E+03 0.23195E-05 -0.33332E-05 2987 0.169E-02 439 T= 6595. E= 0.69095614E+03 F= 0.63639532E+03 E0= 0.66597179E+03 EK= 0.54561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335114737694E+03 0.54993E+00 -0.20040E-01 8904 0.240E+01 0.530E-01 RMM: 2 -0.335133215118E+03 -0.18477E-01 -0.12772E-01 5429 0.783E-01 0.134E+00 RMM: 3 -0.335121308913E+03 0.11906E-01 -0.13170E-02 5385 0.259E-01 0.403E-01 RMM: 4 -0.335123636669E+03 -0.23278E-02 -0.43875E-03 5119 0.167E-01 0.744E-01 RMM: 5 -0.335120261110E+03 0.33756E-02 -0.21718E-03 4655 0.126E-01 0.251E-01 RMM: 6 -0.335120043757E+03 0.21735E-03 -0.58810E-04 4595 0.621E-02 0.186E-01 RMM: 7 -0.335120029202E+03 0.14555E-04 -0.31304E-04 4072 0.503E-02 0.192E-01 RMM: 8 -0.335119796639E+03 0.23256E-03 -0.12173E-04 3843 0.323E-02 0.558E-02 RMM: 9 -0.335119799943E+03 -0.33036E-05 -0.37979E-05 3081 0.176E-02 440 T= 6172. E= 0.68742689E+03 F= 0.63636778E+03 E0= 0.66591315E+03 EK= 0.51059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334474626420E+03 0.64517E+00 -0.19283E-01 8580 0.233E+01 0.538E-01 RMM: 2 -0.334495152748E+03 -0.20526E-01 -0.13044E-01 5302 0.786E-01 0.143E+00 RMM: 3 -0.334481444130E+03 0.13709E-01 -0.13476E-02 5418 0.258E-01 0.406E-01 RMM: 4 -0.334483550294E+03 -0.21062E-02 -0.49632E-03 5097 0.177E-01 0.719E-01 RMM: 5 -0.334480491772E+03 0.30585E-02 -0.22387E-03 4645 0.128E-01 0.282E-01 RMM: 6 -0.334480075472E+03 0.41630E-03 -0.51655E-04 4582 0.583E-02 0.144E-01 RMM: 7 -0.334480127278E+03 -0.51806E-04 -0.28107E-04 3921 0.473E-02 0.180E-01 RMM: 8 -0.334479919467E+03 0.20781E-03 -0.11357E-04 3819 0.321E-02 0.534E-02 RMM: 9 -0.334479919043E+03 0.42380E-06 -0.30922E-05 2938 0.158E-02 441 T= 5863. E= 0.68492562E+03 F= 0.63641936E+03 E0= 0.66593661E+03 EK= 0.48506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333823795485E+03 0.65612E+00 -0.18597E-01 8880 0.229E+01 0.562E-01 RMM: 2 -0.333844079873E+03 -0.20284E-01 -0.11836E-01 5201 0.749E-01 0.150E+00 RMM: 3 -0.333828663079E+03 0.15417E-01 -0.13757E-02 5378 0.268E-01 0.405E-01 RMM: 4 -0.333831373522E+03 -0.27104E-02 -0.50383E-03 5110 0.178E-01 0.771E-01 RMM: 5 -0.333827725400E+03 0.36481E-02 -0.21480E-03 4643 0.125E-01 0.270E-01 RMM: 6 -0.333827320763E+03 0.40464E-03 -0.46375E-04 4446 0.549E-02 0.133E-01 RMM: 7 -0.333827407266E+03 -0.86503E-04 -0.27342E-04 3911 0.458E-02 0.184E-01 RMM: 8 -0.333827184582E+03 0.22268E-03 -0.13238E-04 3866 0.345E-02 0.507E-02 RMM: 9 -0.333827183612E+03 0.96973E-06 -0.32923E-05 2995 0.165E-02 442 T= 5757. E= 0.68410058E+03 F= 0.63647493E+03 E0= 0.66596566E+03 EK= 0.47626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333224817336E+03 0.60237E+00 -0.18366E-01 8724 0.229E+01 0.518E-01 RMM: 2 -0.333238754551E+03 -0.13937E-01 -0.11456E-01 5325 0.713E-01 0.112E+00 RMM: 3 -0.333230332238E+03 0.84223E-02 -0.11528E-02 5419 0.236E-01 0.427E-01 RMM: 4 -0.333232437598E+03 -0.21054E-02 -0.42738E-03 4997 0.163E-01 0.729E-01 RMM: 5 -0.333229184564E+03 0.32530E-02 -0.20781E-03 4615 0.124E-01 0.239E-01 RMM: 6 -0.333228883407E+03 0.30116E-03 -0.43142E-04 4280 0.534E-02 0.132E-01 RMM: 7 -0.333228941650E+03 -0.58243E-04 -0.22717E-04 3904 0.427E-02 0.172E-01 RMM: 8 -0.333228751755E+03 0.18990E-03 -0.10959E-04 3771 0.311E-02 0.542E-02 RMM: 9 -0.333228743659E+03 0.80953E-05 -0.25805E-05 2764 0.150E-02 443 T= 5882. E= 0.68514042E+03 F= 0.63647802E+03 E0= 0.66594403E+03 EK= 0.48662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332710031605E+03 0.51872E+00 -0.18212E-01 9024 0.233E+01 0.511E-01 RMM: 2 -0.332726749186E+03 -0.16718E-01 -0.10543E-01 5322 0.697E-01 0.133E+00 RMM: 3 -0.332714792330E+03 0.11957E-01 -0.11443E-02 5394 0.238E-01 0.390E-01 RMM: 4 -0.332716790078E+03 -0.19977E-02 -0.42404E-03 5045 0.164E-01 0.695E-01 RMM: 5 -0.332713983876E+03 0.28062E-02 -0.20125E-03 4630 0.123E-01 0.277E-01 RMM: 6 -0.332713529786E+03 0.45409E-03 -0.44453E-04 4344 0.544E-02 0.122E-01 RMM: 7 -0.332713589818E+03 -0.60032E-04 -0.26423E-04 3900 0.465E-02 0.169E-01 RMM: 8 -0.332713408353E+03 0.18147E-03 -0.10984E-04 3765 0.317E-02 0.490E-02 RMM: 9 -0.332713408374E+03 -0.21160E-07 -0.29673E-05 2855 0.161E-02 444 T= 6215. E= 0.68782120E+03 F= 0.63641024E+03 E0= 0.66585152E+03 EK= 0.51411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332255256333E+03 0.45815E+00 -0.19002E-01 8748 0.240E+01 0.459E-01 RMM: 2 -0.332272836885E+03 -0.17581E-01 -0.11383E-01 5236 0.744E-01 0.128E+00 RMM: 3 -0.332261678849E+03 0.11158E-01 -0.11448E-02 5408 0.236E-01 0.347E-01 RMM: 4 -0.332262814237E+03 -0.11354E-02 -0.36262E-03 5109 0.151E-01 0.575E-01 RMM: 5 -0.332260971716E+03 0.18425E-02 -0.19999E-03 4668 0.125E-01 0.258E-01 RMM: 6 -0.332260628115E+03 0.34360E-03 -0.45202E-04 4341 0.554E-02 0.140E-01 RMM: 7 -0.332260647055E+03 -0.18941E-04 -0.28557E-04 3961 0.499E-02 0.165E-01 RMM: 8 -0.332260474673E+03 0.17238E-03 -0.10863E-04 3797 0.314E-02 0.535E-02 RMM: 9 -0.332260469655E+03 0.50178E-05 -0.23983E-05 2692 0.148E-02 445 T= 6664. E= 0.69142891E+03 F= 0.63629871E+03 E0= 0.66571423E+03 EK= 0.55130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331796563551E+03 0.46391E+00 -0.19417E-01 8580 0.248E+01 0.457E-01 RMM: 2 -0.331815750486E+03 -0.19187E-01 -0.11759E-01 5257 0.766E-01 0.135E+00 RMM: 3 -0.331803435041E+03 0.12315E-01 -0.12230E-02 5426 0.244E-01 0.342E-01 RMM: 4 -0.331804468828E+03 -0.10338E-02 -0.34623E-03 5232 0.149E-01 0.560E-01 RMM: 5 -0.331802825410E+03 0.16434E-02 -0.21124E-03 4685 0.128E-01 0.283E-01 RMM: 6 -0.331802398369E+03 0.42704E-03 -0.50885E-04 4513 0.588E-02 0.147E-01 RMM: 7 -0.331802403753E+03 -0.53835E-05 -0.36040E-04 4349 0.559E-02 0.170E-01 RMM: 8 -0.331802223314E+03 0.18044E-03 -0.11435E-04 3840 0.313E-02 0.538E-02 RMM: 9 -0.331802221501E+03 0.18136E-05 -0.29628E-05 2868 0.168E-02 446 T= 7072. E= 0.69471888E+03 F= 0.63621126E+03 E0= 0.66559796E+03 EK= 0.58508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331239297419E+03 0.56293E+00 -0.19563E-01 8316 0.254E+01 0.441E-01 RMM: 2 -0.331259957168E+03 -0.20660E-01 -0.12735E-01 5223 0.811E-01 0.136E+00 RMM: 3 -0.331247396380E+03 0.12561E-01 -0.13012E-02 5463 0.250E-01 0.340E-01 RMM: 4 -0.331247941914E+03 -0.54553E-03 -0.31810E-03 5238 0.140E-01 0.494E-01 RMM: 5 -0.331246806651E+03 0.11353E-02 -0.21809E-03 4686 0.132E-01 0.291E-01 RMM: 6 -0.331246369527E+03 0.43712E-03 -0.53828E-04 4563 0.602E-02 0.156E-01 RMM: 7 -0.331246311737E+03 0.57789E-04 -0.40756E-04 4423 0.606E-02 0.152E-01 RMM: 8 -0.331246168912E+03 0.14283E-03 -0.98040E-05 3741 0.285E-02 0.537E-02 RMM: 9 -0.331246167153E+03 0.17590E-05 -0.27096E-05 2767 0.161E-02 447 T= 7259. E= 0.69628578E+03 F= 0.63623439E+03 E0= 0.66558873E+03 EK= 0.60051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330509687440E+03 0.73648E+00 -0.19312E-01 8268 0.255E+01 0.458E-01 RMM: 2 -0.330527458086E+03 -0.17771E-01 -0.12531E-01 5187 0.800E-01 0.125E+00 RMM: 3 -0.330517230987E+03 0.10227E-01 -0.13194E-02 5523 0.247E-01 0.340E-01 RMM: 4 -0.330518491902E+03 -0.12609E-02 -0.34588E-03 5222 0.150E-01 0.591E-01 RMM: 5 -0.330516492721E+03 0.19992E-02 -0.20689E-03 4691 0.126E-01 0.251E-01 RMM: 6 -0.330516212022E+03 0.28070E-03 -0.48695E-04 4464 0.570E-02 0.161E-01 RMM: 7 -0.330516167121E+03 0.44900E-04 -0.34314E-04 4316 0.553E-02 0.158E-01 RMM: 8 -0.330516007204E+03 0.15992E-03 -0.95828E-05 3735 0.287E-02 0.481E-02 RMM: 9 -0.330516011978E+03 -0.47740E-05 -0.30485E-05 2878 0.167E-02 448 T= 7128. E= 0.69540014E+03 F= 0.63643457E+03 E0= 0.66575176E+03 EK= 0.58966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329586479718E+03 0.92953E+00 -0.18939E-01 8016 0.250E+01 0.484E-01 RMM: 2 -0.329604628179E+03 -0.18148E-01 -0.12416E-01 5143 0.794E-01 0.128E+00 RMM: 3 -0.329593397214E+03 0.11231E-01 -0.13102E-02 5446 0.249E-01 0.343E-01 RMM: 4 -0.329594970188E+03 -0.15730E-02 -0.42313E-03 5158 0.165E-01 0.627E-01 RMM: 5 -0.329592549513E+03 0.24207E-02 -0.20369E-03 4666 0.124E-01 0.219E-01 RMM: 6 -0.329592360895E+03 0.18862E-03 -0.41167E-04 4288 0.520E-02 0.157E-01 RMM: 7 -0.329592291390E+03 0.69505E-04 -0.26030E-04 3933 0.490E-02 0.137E-01 RMM: 8 -0.329592173203E+03 0.11819E-03 -0.72233E-05 3507 0.260E-02 0.487E-02 RMM: 9 -0.329592176033E+03 -0.28301E-05 -0.23580E-05 2623 0.142E-02 449 T= 6739. E= 0.69257495E+03 F= 0.63682133E+03 E0= 0.66609718E+03 EK= 0.55754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328512970751E+03 0.10792E+01 -0.17995E-01 8220 0.242E+01 0.517E-01 RMM: 2 -0.328525794123E+03 -0.12823E-01 -0.11103E-01 5181 0.741E-01 0.107E+00 RMM: 3 -0.328518211393E+03 0.75827E-02 -0.11836E-02 5439 0.239E-01 0.419E-01 RMM: 4 -0.328520586117E+03 -0.23747E-02 -0.40626E-03 5155 0.163E-01 0.750E-01 RMM: 5 -0.328516991355E+03 0.35948E-02 -0.19382E-03 4641 0.120E-01 0.204E-01 RMM: 6 -0.328516804203E+03 0.18715E-03 -0.40716E-04 4237 0.515E-02 0.136E-01 RMM: 7 -0.328516821071E+03 -0.16868E-04 -0.19479E-04 3886 0.404E-02 450 T= 6266. E= 0.68918372E+03 F= 0.63734588E+03 E0= 0.66657775E+03 EK= 0.51838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327366959547E+03 0.11498E+01 -0.17142E-01 7632 0.235E+01 0.594E-01 RMM: 2 -0.327379377366E+03 -0.12418E-01 -0.11954E-01 5031 0.780E-01 0.108E+00 RMM: 3 -0.327372421906E+03 0.69555E-02 -0.14311E-02 5408 0.265E-01 0.524E-01 RMM: 4 -0.327374897340E+03 -0.24754E-02 -0.50188E-03 5166 0.177E-01 0.829E-01 RMM: 5 -0.327370428470E+03 0.44689E-02 -0.26298E-03 4643 0.139E-01 0.200E-01 RMM: 6 -0.327370345582E+03 0.82888E-04 -0.48145E-04 4449 0.552E-02 0.184E-01 RMM: 7 -0.327370271267E+03 0.74315E-04 -0.23999E-04 3890 0.446E-02 0.167E-01 RMM: 8 -0.327370094242E+03 0.17702E-03 -0.11069E-04 3795 0.310E-02 0.558E-02 RMM: 9 -0.327370106782E+03 -0.12540E-04 -0.44274E-05 3167 0.183E-02 451 T= 5882. E= 0.68659094E+03 F= 0.63792751E+03 E0= 0.66711184E+03 EK= 0.48663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326232849712E+03 0.11372E+01 -0.16035E-01 7896 0.229E+01 0.467E-01 RMM: 2 -0.326244372125E+03 -0.11522E-01 -0.10116E-01 5088 0.702E-01 0.983E-01 RMM: 3 -0.326237987933E+03 0.63842E-02 -0.10914E-02 5452 0.224E-01 0.394E-01 RMM: 4 -0.326239577991E+03 -0.15901E-02 -0.34286E-03 5174 0.147E-01 0.640E-01 RMM: 5 -0.326236969214E+03 0.26088E-02 -0.14944E-03 4619 0.106E-01 0.189E-01 RMM: 6 -0.326236760511E+03 0.20870E-03 -0.29102E-04 3975 0.439E-02 0.908E-02 RMM: 7 -0.326236799804E+03 -0.39293E-04 -0.11888E-04 3864 0.311E-02 0.129E-01 RMM: 8 -0.326236689839E+03 0.10997E-03 -0.52815E-05 3317 0.221E-02 0.297E-02 RMM: 9 -0.326236693480E+03 -0.36402E-05 -0.13243E-05 2506 0.105E-02 452 T= 5701. E= 0.68565086E+03 F= 0.63848755E+03 E0= 0.66762419E+03 EK= 0.47163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325178338535E+03 0.10584E+01 -0.16271E-01 7824 0.229E+01 0.544E-01 RMM: 2 -0.325193363753E+03 -0.15025E-01 -0.11244E-01 4952 0.765E-01 0.124E+00 RMM: 3 -0.325183412991E+03 0.99508E-02 -0.13955E-02 5412 0.261E-01 0.400E-01 RMM: 4 -0.325185889892E+03 -0.24769E-02 -0.45029E-03 5220 0.167E-01 0.749E-01 RMM: 5 -0.325182336130E+03 0.35538E-02 -0.20641E-03 4648 0.124E-01 0.242E-01 RMM: 6 -0.325182036334E+03 0.29980E-03 -0.44631E-04 4472 0.537E-02 0.133E-01 RMM: 7 -0.325182061700E+03 -0.25366E-04 -0.19915E-04 3888 0.402E-02 0.159E-01 RMM: 8 -0.325181892731E+03 0.16897E-03 -0.91115E-05 3650 0.288E-02 0.458E-02 RMM: 9 -0.325181899620E+03 -0.68891E-05 -0.30702E-05 2909 0.159E-02 453 T= 5769. E= 0.68669674E+03 F= 0.63897121E+03 E0= 0.66806072E+03 EK= 0.47726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324236864162E+03 0.94503E+00 -0.16480E-01 8328 0.232E+01 0.472E-01 RMM: 2 -0.324249962066E+03 -0.13098E-01 -0.85505E-02 5172 0.653E-01 0.117E+00 RMM: 3 -0.324240542416E+03 0.94196E-02 -0.98321E-03 5430 0.219E-01 0.347E-01 RMM: 4 -0.324242323996E+03 -0.17816E-02 -0.37315E-03 5059 0.154E-01 0.648E-01 RMM: 5 -0.324239761987E+03 0.25620E-02 -0.17536E-03 4637 0.115E-01 0.215E-01 RMM: 6 -0.324239528198E+03 0.23379E-03 -0.36446E-04 4116 0.492E-02 0.127E-01 RMM: 7 -0.324239515239E+03 0.12959E-04 -0.19240E-04 3888 0.413E-02 454 T= 6078. E= 0.68963586E+03 F= 0.63935598E+03 E0= 0.66840062E+03 EK= 0.50280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323404300656E+03 0.83523E+00 -0.18338E-01 8388 0.240E+01 0.491E-01 RMM: 2 -0.323418134335E+03 -0.13834E-01 -0.98874E-02 5124 0.721E-01 0.117E+00 RMM: 3 -0.323409230004E+03 0.89043E-02 -0.11284E-02 5451 0.233E-01 0.372E-01 RMM: 4 -0.323410823214E+03 -0.15932E-02 -0.38850E-03 5193 0.159E-01 0.646E-01 RMM: 5 -0.323408399109E+03 0.24241E-02 -0.21430E-03 4674 0.128E-01 0.273E-01 RMM: 6 -0.323408027982E+03 0.37113E-03 -0.59275E-04 4538 0.629E-02 0.160E-01 RMM: 7 -0.323408008783E+03 0.19199E-04 -0.33075E-04 4181 0.537E-02 0.171E-01 RMM: 8 -0.323407820699E+03 0.18808E-03 -0.12301E-04 3827 0.322E-02 0.524E-02 RMM: 9 -0.323407839813E+03 -0.19114E-04 -0.40346E-05 3107 0.181E-02 455 T= 6555. E= 0.69388291E+03 F= 0.63965135E+03 E0= 0.66865290E+03 EK= 0.54232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322651226864E+03 0.75659E+00 -0.19705E-01 8412 0.249E+01 0.354E-01 RMM: 2 -0.322667945356E+03 -0.16718E-01 -0.95634E-02 5250 0.705E-01 0.122E+00 RMM: 3 -0.322657331368E+03 0.10614E-01 -0.98725E-03 5481 0.212E-01 0.242E-01 RMM: 4 -0.322657863718E+03 -0.53235E-03 -0.21611E-03 5017 0.118E-01 0.413E-01 RMM: 5 -0.322656874171E+03 0.98955E-03 -0.13075E-03 4613 0.102E-01 0.194E-01 RMM: 6 -0.322656753490E+03 0.12068E-03 -0.40624E-04 4185 0.527E-02 0.147E-01 RMM: 7 -0.322656704258E+03 0.49232E-04 -0.19698E-04 3882 0.425E-02 0.133E-01 RMM: 8 -0.322656589207E+03 0.11505E-03 -0.55001E-05 3339 0.229E-02 0.334E-02 RMM: 9 -0.322656587818E+03 0.13885E-05 -0.10449E-05 2495 0.983E-03 456 T= 7051. E= 0.69821830E+03 F= 0.63988914E+03 E0= 0.66885095E+03 EK= 0.58329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321938270512E+03 0.71832E+00 -0.21865E-01 8424 0.256E+01 0.436E-01 RMM: 2 -0.321954288583E+03 -0.16018E-01 -0.11760E-01 5189 0.793E-01 0.114E+00 RMM: 3 -0.321945469799E+03 0.88188E-02 -0.12234E-02 5494 0.236E-01 0.331E-01 RMM: 4 -0.321946287034E+03 -0.81724E-03 -0.29962E-03 5249 0.140E-01 0.526E-01 RMM: 5 -0.321944683637E+03 0.16034E-02 -0.20689E-03 4679 0.128E-01 0.243E-01 RMM: 6 -0.321944510405E+03 0.17323E-03 -0.57094E-04 4529 0.615E-02 0.193E-01 RMM: 7 -0.321944342369E+03 0.16804E-03 -0.36213E-04 4336 0.578E-02 0.137E-01 RMM: 8 -0.321944227639E+03 0.11473E-03 -0.81105E-05 3594 0.262E-02 0.535E-02 RMM: 9 -0.321944232711E+03 -0.50716E-05 -0.33982E-05 2942 0.177E-02 457 T= 7360. E= 0.70099157E+03 F= 0.64010574E+03 E0= 0.66903297E+03 EK= 0.60886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321247060265E+03 0.69717E+00 -0.22862E-01 8328 0.259E+01 0.389E-01 RMM: 2 -0.321261536477E+03 -0.14476E-01 -0.11345E-01 5189 0.777E-01 0.996E-01 RMM: 3 -0.321254497458E+03 0.70390E-02 -0.11405E-02 5564 0.226E-01 0.310E-01 RMM: 4 -0.321254915627E+03 -0.41817E-03 -0.23926E-03 5192 0.125E-01 0.443E-01 RMM: 5 -0.321253848820E+03 0.10668E-02 -0.16007E-03 4636 0.111E-01 0.232E-01 RMM: 6 -0.321253643616E+03 0.20520E-03 -0.48579E-04 4481 0.572E-02 0.165E-01 RMM: 7 -0.321253586239E+03 0.57377E-04 -0.28006E-04 3953 0.494E-02 0.153E-01 RMM: 8 -0.321253437425E+03 0.14881E-03 -0.86588E-05 3614 0.284E-02 0.447E-02 RMM: 9 -0.321253440067E+03 -0.26421E-05 -0.22904E-05 2603 0.144E-02 458 T= 7333. E= 0.70097294E+03 F= 0.64030857E+03 E0= 0.66920544E+03 EK= 0.60664E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320608683299E+03 0.64475E+00 -0.22740E-01 8136 0.256E+01 0.459E-01 RMM: 2 -0.320625898660E+03 -0.17215E-01 -0.12015E-01 5170 0.785E-01 0.123E+00 RMM: 3 -0.320615482851E+03 0.10416E-01 -0.11998E-02 5460 0.242E-01 0.327E-01 RMM: 4 -0.320616993883E+03 -0.15110E-02 -0.34446E-03 5309 0.149E-01 0.601E-01 RMM: 5 -0.320614813693E+03 0.21802E-02 -0.16564E-03 4638 0.112E-01 0.242E-01 RMM: 6 -0.320614515045E+03 0.29865E-03 -0.47031E-04 4374 0.559E-02 0.137E-01 RMM: 7 -0.320614521414E+03 -0.63694E-05 -0.24095E-04 3882 0.458E-02 0.154E-01 RMM: 8 -0.320614366224E+03 0.15519E-03 -0.89387E-05 3639 0.287E-02 0.445E-02 RMM: 9 -0.320614368783E+03 -0.25589E-05 -0.22448E-05 2604 0.141E-02 459 T= 6988. E= 0.69826548E+03 F= 0.64045616E+03 E0= 0.66932805E+03 EK= 0.57809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320094987979E+03 0.51938E+00 -0.21683E-01 8220 0.248E+01 0.501E-01 RMM: 2 -0.320111499434E+03 -0.16511E-01 -0.11410E-01 5273 0.778E-01 0.127E+00 RMM: 3 -0.320100728263E+03 0.10771E-01 -0.12114E-02 5442 0.247E-01 0.385E-01 RMM: 4 -0.320102234720E+03 -0.15065E-02 -0.37888E-03 5286 0.154E-01 0.627E-01 RMM: 5 -0.320099834509E+03 0.24002E-02 -0.17848E-03 4656 0.116E-01 0.257E-01 RMM: 6 -0.320099444502E+03 0.39001E-03 -0.42573E-04 4254 0.536E-02 0.113E-01 RMM: 7 -0.320099523544E+03 -0.79043E-04 -0.20235E-04 3900 0.395E-02 0.166E-01 RMM: 8 -0.320099341950E+03 0.18159E-03 -0.92017E-05 3679 0.289E-02 0.466E-02 RMM: 9 -0.320099339170E+03 0.27802E-05 -0.21274E-05 2590 0.134E-02 460 T= 6496. E= 0.69420325E+03 F= 0.64046715E+03 E0= 0.66931775E+03 EK= 0.53736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319792628898E+03 0.30671E+00 -0.20198E-01 8340 0.240E+01 0.538E-01 RMM: 2 -0.319810581768E+03 -0.17953E-01 -0.10887E-01 5322 0.759E-01 0.142E+00 RMM: 3 -0.319797152918E+03 0.13429E-01 -0.12060E-02 5400 0.250E-01 0.375E-01 RMM: 4 -0.319799438608E+03 -0.22857E-02 -0.42619E-03 5267 0.163E-01 0.710E-01 RMM: 5 -0.319796292933E+03 0.31457E-02 -0.18227E-03 4616 0.116E-01 0.252E-01 RMM: 6 -0.319795922359E+03 0.37057E-03 -0.42126E-04 4313 0.529E-02 0.115E-01 RMM: 7 -0.319795996546E+03 -0.74187E-04 -0.19212E-04 3887 0.378E-02 0.168E-01 RMM: 8 -0.319795815010E+03 0.18154E-03 -0.93944E-05 3653 0.289E-02 0.481E-02 RMM: 9 -0.319795811485E+03 0.35248E-05 -0.22316E-05 2624 0.136E-02 461 T= 6058. E= 0.69036994E+03 F= 0.64025025E+03 E0= 0.66908295E+03 EK= 0.50120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319775533565E+03 0.20281E-01 -0.19487E-01 8328 0.234E+01 0.548E-01 RMM: 2 -0.319792294271E+03 -0.16761E-01 -0.10392E-01 5290 0.756E-01 0.139E+00 RMM: 3 -0.319779706204E+03 0.12588E-01 -0.12948E-02 5393 0.262E-01 0.408E-01 RMM: 4 -0.319781848734E+03 -0.21425E-02 -0.44133E-03 5264 0.164E-01 0.714E-01 RMM: 5 -0.319778710171E+03 0.31386E-02 -0.19505E-03 4637 0.121E-01 0.258E-01 RMM: 6 -0.319778300966E+03 0.40921E-03 -0.39586E-04 4244 0.511E-02 0.106E-01 RMM: 7 -0.319778386123E+03 -0.85157E-04 -0.18679E-04 3892 0.369E-02 0.165E-01 RMM: 8 -0.319778207320E+03 0.17880E-03 -0.86853E-05 3610 0.280E-02 0.457E-02 RMM: 9 -0.319778206121E+03 0.11985E-05 -0.23064E-05 2622 0.138E-02 462 T= 5815. E= 0.68784135E+03 F= 0.63973354E+03 E0= 0.66854887E+03 EK= 0.48108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320085428303E+03 -0.30722E+00 -0.18665E-01 7956 0.231E+01 0.532E-01 RMM: 2 -0.320104351121E+03 -0.18923E-01 -0.10310E-01 5190 0.753E-01 0.149E+00 RMM: 3 -0.320089658633E+03 0.14692E-01 -0.12932E-02 5417 0.258E-01 0.358E-01 RMM: 4 -0.320091865288E+03 -0.22067E-02 -0.42185E-03 5286 0.160E-01 0.696E-01 RMM: 5 -0.320088936163E+03 0.29291E-02 -0.18378E-03 4630 0.117E-01 0.269E-01 RMM: 6 -0.320088503963E+03 0.43220E-03 -0.44131E-04 4400 0.542E-02 0.110E-01 RMM: 7 -0.320088578335E+03 -0.74373E-04 -0.18980E-04 3885 0.380E-02 0.164E-01 RMM: 8 -0.320088403619E+03 0.17472E-03 -0.85934E-05 3605 0.281E-02 0.471E-02 RMM: 9 -0.320088401587E+03 0.20321E-05 -0.22694E-05 2634 0.137E-02 463 T= 5824. E= 0.68706388E+03 F= 0.63888272E+03 E0= 0.66768080E+03 EK= 0.48181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320715954976E+03 -0.62755E+00 -0.18814E-01 7788 0.234E+01 0.493E-01 RMM: 2 -0.320731640963E+03 -0.15686E-01 -0.10185E-01 5147 0.752E-01 0.127E+00 RMM: 3 -0.320720883006E+03 0.10758E-01 -0.12738E-02 5394 0.255E-01 0.359E-01 RMM: 4 -0.320722521756E+03 -0.16387E-02 -0.37508E-03 5259 0.152E-01 0.635E-01 RMM: 5 -0.320720106517E+03 0.24152E-02 -0.18177E-03 4672 0.117E-01 0.248E-01 RMM: 6 -0.320719763570E+03 0.34295E-03 -0.38966E-04 4137 0.508E-02 0.116E-01 RMM: 7 -0.320719807949E+03 -0.44379E-04 -0.19225E-04 3892 0.402E-02 0.153E-01 RMM: 8 -0.320719654150E+03 0.15380E-03 -0.75137E-05 3541 0.263E-02 0.440E-02 RMM: 9 -0.320719654627E+03 -0.47706E-06 -0.21647E-05 2601 0.136E-02 464 T= 6076. E= 0.68798226E+03 F= 0.63771402E+03 E0= 0.66649247E+03 EK= 0.50268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321597724420E+03 -0.87807E+00 -0.19473E-01 7800 0.241E+01 0.469E-01 RMM: 2 -0.321620054883E+03 -0.22330E-01 -0.10590E-01 5114 0.788E-01 0.158E+00 RMM: 3 -0.321603319362E+03 0.16736E-01 -0.12939E-02 5405 0.259E-01 0.310E-01 RMM: 4 -0.321604432469E+03 -0.11131E-02 -0.33642E-03 5322 0.143E-01 0.548E-01 RMM: 5 -0.321602877955E+03 0.15545E-02 -0.17868E-03 4664 0.117E-01 0.289E-01 RMM: 6 -0.321602409585E+03 0.46837E-03 -0.51724E-04 4537 0.592E-02 0.130E-01 RMM: 7 -0.321602437365E+03 -0.27779E-04 -0.26359E-04 3899 0.474E-02 0.161E-01 RMM: 8 -0.321602273764E+03 0.16360E-03 -0.90064E-05 3634 0.292E-02 0.496E-02 RMM: 9 -0.321602269720E+03 0.40436E-05 -0.21632E-05 2609 0.137E-02 465 T= 6498. E= 0.69005773E+03 F= 0.63630462E+03 E0= 0.66506112E+03 EK= 0.53753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322593638201E+03 -0.99136E+00 -0.19494E-01 7944 0.249E+01 0.423E-01 RMM: 2 -0.322607899877E+03 -0.14262E-01 -0.95302E-02 5215 0.767E-01 0.116E+00 RMM: 3 -0.322599112233E+03 0.87876E-02 -0.10811E-02 5373 0.236E-01 0.304E-01 RMM: 4 -0.322599891616E+03 -0.77938E-03 -0.28332E-03 5264 0.136E-01 0.497E-01 RMM: 5 -0.322598440878E+03 0.14507E-02 -0.18794E-03 4663 0.122E-01 0.211E-01 RMM: 6 -0.322598371519E+03 0.69359E-04 -0.48483E-04 4454 0.575E-02 0.194E-01 RMM: 7 -0.322598207406E+03 0.16411E-03 -0.28375E-04 4053 0.508E-02 0.133E-01 RMM: 8 -0.322598095254E+03 0.11215E-03 -0.61336E-05 3427 0.237E-02 0.440E-02 RMM: 9 -0.322598101320E+03 -0.60655E-05 -0.25798E-05 2698 0.152E-02 466 T= 6940. E= 0.69220747E+03 F= 0.63479511E+03 E0= 0.66352640E+03 EK= 0.57412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323518097050E+03 -0.92000E+00 -0.20267E-01 7668 0.255E+01 0.418E-01 RMM: 2 -0.323541111029E+03 -0.23014E-01 -0.13026E-01 5045 0.901E-01 0.147E+00 RMM: 3 -0.323526886925E+03 0.14224E-01 -0.14632E-02 5455 0.262E-01 0.304E-01 RMM: 4 -0.323527005142E+03 -0.11822E-03 -0.26169E-03 5276 0.128E-01 0.403E-01 RMM: 5 -0.323526289228E+03 0.71591E-03 -0.20950E-03 4639 0.130E-01 0.271E-01 RMM: 6 -0.323526056129E+03 0.23310E-03 -0.63920E-04 4593 0.656E-02 0.201E-01 RMM: 7 -0.323525898412E+03 0.15772E-03 -0.39554E-04 4328 0.594E-02 0.152E-01 RMM: 8 -0.323525752247E+03 0.14616E-03 -0.87312E-05 3621 0.272E-02 0.499E-02 RMM: 9 -0.323525753926E+03 -0.16786E-05 -0.24133E-05 2672 0.148E-02 467 T= 7212. E= 0.69302553E+03 F= 0.63336337E+03 E0= 0.66206719E+03 EK= 0.59662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324211821588E+03 -0.68607E+00 -0.19454E-01 7824 0.257E+01 0.413E-01 RMM: 2 -0.324225759890E+03 -0.13938E-01 -0.11436E-01 5096 0.838E-01 0.100E+00 RMM: 3 -0.324219296606E+03 0.64633E-02 -0.13075E-02 5516 0.242E-01 0.295E-01 RMM: 4 -0.324220167127E+03 -0.87052E-03 -0.28844E-03 5250 0.142E-01 0.520E-01 RMM: 5 -0.324218549145E+03 0.16180E-02 -0.16936E-03 4642 0.113E-01 0.201E-01 RMM: 6 -0.324218600349E+03 -0.51204E-04 -0.58767E-04 4587 0.635E-02 0.230E-01 RMM: 7 -0.324218332563E+03 0.26779E-03 -0.32522E-04 4200 0.537E-02 0.131E-01 RMM: 8 -0.324218223099E+03 0.10946E-03 -0.61053E-05 3426 0.232E-02 0.467E-02 RMM: 9 -0.324218228633E+03 -0.55340E-05 -0.32699E-05 2867 0.170E-02 468 T= 7176. E= 0.69153198E+03 F= 0.63216828E+03 E0= 0.66084413E+03 EK= 0.59364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324580192020E+03 -0.36197E+00 -0.19129E-01 7644 0.253E+01 0.436E-01 RMM: 2 -0.324596711176E+03 -0.16519E-01 -0.11839E-01 4953 0.849E-01 0.117E+00 RMM: 3 -0.324587722343E+03 0.89888E-02 -0.14121E-02 5560 0.249E-01 0.308E-01 RMM: 4 -0.324588649181E+03 -0.92684E-03 -0.32322E-03 5303 0.147E-01 0.537E-01 RMM: 5 -0.324586976293E+03 0.16729E-02 -0.18807E-03 4656 0.120E-01 0.231E-01 RMM: 6 -0.324586850818E+03 0.12548E-03 -0.54517E-04 4570 0.604E-02 0.198E-01 RMM: 7 -0.324586711824E+03 0.13899E-03 -0.32424E-04 4096 0.538E-02 0.148E-01 RMM: 8 -0.324586568344E+03 0.14348E-03 -0.85182E-05 3609 0.277E-02 0.473E-02 RMM: 9 -0.324586572634E+03 -0.42896E-05 -0.24197E-05 2649 0.146E-02 469 T= 6846. E= 0.68792363E+03 F= 0.63128918E+03 E0= 0.65993818E+03 EK= 0.56634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324646896353E+03 -0.60328E-01 -0.17500E-01 7908 0.245E+01 0.494E-01 RMM: 2 -0.324658318965E+03 -0.11423E-01 -0.91651E-02 4939 0.739E-01 0.107E+00 RMM: 3 -0.324651010530E+03 0.73084E-02 -0.12261E-02 5410 0.253E-01 0.382E-01 RMM: 4 -0.324653089573E+03 -0.20790E-02 -0.35598E-03 5275 0.153E-01 0.693E-01 RMM: 5 -0.324650035572E+03 0.30540E-02 -0.16281E-03 4658 0.110E-01 0.221E-01 RMM: 6 -0.324649812958E+03 0.22261E-03 -0.48234E-04 4437 0.568E-02 0.143E-01 RMM: 7 -0.324649813276E+03 -0.31778E-06 -0.20384E-04 3884 0.412E-02 0.156E-01 RMM: 8 -0.324649651384E+03 0.16189E-03 -0.81021E-05 3591 0.277E-02 0.435E-02 RMM: 9 -0.324649655529E+03 -0.41443E-05 -0.27932E-05 2845 0.154E-02 470 T= 6376. E= 0.68344859E+03 F= 0.63069973E+03 E0= 0.65932481E+03 EK= 0.52749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324501900908E+03 0.14775E+00 -0.16864E-01 7596 0.236E+01 0.514E-01 RMM: 2 -0.324514205637E+03 -0.12305E-01 -0.94898E-02 4852 0.752E-01 0.112E+00 RMM: 3 -0.324506051113E+03 0.81545E-02 -0.12633E-02 5434 0.254E-01 0.396E-01 RMM: 4 -0.324508091299E+03 -0.20402E-02 -0.41819E-03 5315 0.166E-01 0.696E-01 RMM: 5 -0.324504915675E+03 0.31756E-02 -0.18684E-03 4654 0.118E-01 0.197E-01 RMM: 6 -0.324504774526E+03 0.14115E-03 -0.40893E-04 4348 0.516E-02 0.151E-01 RMM: 7 -0.324504741624E+03 0.32901E-04 -0.18318E-04 3880 0.392E-02 0.143E-01 RMM: 8 -0.324504603413E+03 0.13821E-03 -0.78812E-05 3564 0.269E-02 0.416E-02 RMM: 9 -0.324504609241E+03 -0.58280E-05 -0.21374E-05 2580 0.133E-02 471 T= 5953. E= 0.67955039E+03 F= 0.63030053E+03 E0= 0.65890497E+03 EK= 0.49250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324273762254E+03 0.23084E+00 -0.15311E-01 7704 0.230E+01 0.555E-01 RMM: 2 -0.324286480621E+03 -0.12718E-01 -0.78659E-02 5100 0.687E-01 0.131E+00 RMM: 3 -0.324275507302E+03 0.10973E-01 -0.11671E-02 5380 0.259E-01 0.431E-01 RMM: 4 -0.324278198964E+03 -0.26917E-02 -0.41778E-03 5224 0.161E-01 0.771E-01 RMM: 5 -0.324274394352E+03 0.38046E-02 -0.18822E-03 4699 0.120E-01 0.247E-01 RMM: 6 -0.324274032305E+03 0.36205E-03 -0.47534E-04 4361 0.566E-02 0.115E-01 RMM: 7 -0.324274111240E+03 -0.78935E-04 -0.17746E-04 3883 0.364E-02 0.169E-01 RMM: 8 -0.324273917801E+03 0.19344E-03 -0.90247E-05 3655 0.290E-02 0.417E-02 RMM: 9 -0.324273921962E+03 -0.41609E-05 -0.29068E-05 2890 0.155E-02 472 T= 5710. E= 0.67721219E+03 F= 0.62997334E+03 E0= 0.65856036E+03 EK= 0.47239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324060201334E+03 0.21372E+00 -0.14998E-01 7944 0.227E+01 0.517E-01 RMM: 2 -0.324070143678E+03 -0.99423E-02 -0.72277E-02 5021 0.647E-01 0.112E+00 RMM: 3 -0.324062201622E+03 0.79421E-02 -0.99283E-03 5379 0.235E-01 0.420E-01 RMM: 4 -0.324064247424E+03 -0.20458E-02 -0.41679E-03 5242 0.166E-01 0.702E-01 RMM: 5 -0.324060975684E+03 0.32717E-02 -0.18590E-03 4632 0.118E-01 0.185E-01 RMM: 6 -0.324060857089E+03 0.11860E-03 -0.35756E-04 4221 0.483E-02 0.146E-01 RMM: 7 -0.324060793405E+03 0.63684E-04 -0.14898E-04 3874 0.362E-02 0.121E-01 RMM: 8 -0.324060694942E+03 0.98463E-04 -0.57433E-05 3377 0.230E-02 0.403E-02 RMM: 9 -0.324060703209E+03 -0.82666E-05 -0.21183E-05 2561 0.131E-02 473 T= 5710. E= 0.67685808E+03 F= 0.62962460E+03 E0= 0.65819730E+03 EK= 0.47233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323923097878E+03 0.13760E+00 -0.15352E-01 7860 0.230E+01 0.504E-01 RMM: 2 -0.323939039078E+03 -0.15941E-01 -0.83404E-02 4974 0.708E-01 0.139E+00 RMM: 3 -0.323926146081E+03 0.12893E-01 -0.11916E-02 5395 0.257E-01 0.356E-01 RMM: 4 -0.323928194641E+03 -0.20486E-02 -0.37443E-03 5311 0.153E-01 0.669E-01 RMM: 5 -0.323925363198E+03 0.28314E-02 -0.17756E-03 4666 0.117E-01 0.237E-01 RMM: 6 -0.323925040437E+03 0.32276E-03 -0.44064E-04 4312 0.549E-02 0.118E-01 RMM: 7 -0.323925099496E+03 -0.59059E-04 -0.17888E-04 3878 0.379E-02 0.162E-01 RMM: 8 -0.323924925061E+03 0.17443E-03 -0.85865E-05 3647 0.284E-02 0.428E-02 RMM: 9 -0.323924927226E+03 -0.21648E-05 -0.22307E-05 2644 0.140E-02 474 T= 5955. E= 0.67847044E+03 F= 0.62920585E+03 E0= 0.65776635E+03 EK= 0.49265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323869275271E+03 0.55650E-01 -0.15754E-01 8112 0.236E+01 0.455E-01 RMM: 2 -0.323881826319E+03 -0.12551E-01 -0.77460E-02 5099 0.673E-01 0.118E+00 RMM: 3 -0.323872680173E+03 0.91461E-02 -0.98244E-03 5427 0.228E-01 0.343E-01 RMM: 4 -0.323874086134E+03 -0.14060E-02 -0.35282E-03 5297 0.153E-01 0.596E-01 RMM: 5 -0.323871960374E+03 0.21258E-02 -0.17063E-03 4632 0.114E-01 0.229E-01 RMM: 6 -0.323871708625E+03 0.25175E-03 -0.41355E-04 4345 0.531E-02 0.142E-01 RMM: 7 -0.323871656838E+03 0.51787E-04 -0.22177E-04 3894 0.454E-02 0.128E-01 RMM: 8 -0.323871550272E+03 0.10657E-03 -0.62846E-05 3445 0.247E-02 0.439E-02 RMM: 9 -0.323871553428E+03 -0.31557E-05 -0.21621E-05 2604 0.138E-02 475 T= 6391. E= 0.68158836E+03 F= 0.62872139E+03 E0= 0.65727234E+03 EK= 0.52867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323845865893E+03 0.25684E-01 -0.16987E-01 8472 0.245E+01 0.439E-01 RMM: 2 -0.323864374471E+03 -0.18509E-01 -0.87802E-02 5163 0.735E-01 0.143E+00 RMM: 3 -0.323850445376E+03 0.13929E-01 -0.11627E-02 5400 0.254E-01 0.332E-01 RMM: 4 -0.323851016558E+03 -0.57118E-03 -0.27689E-03 5287 0.130E-01 0.474E-01 RMM: 5 -0.323849984720E+03 0.10318E-02 -0.18330E-03 4634 0.122E-01 0.298E-01 RMM: 6 -0.323849472815E+03 0.51190E-03 -0.52324E-04 4555 0.601E-02 0.129E-01 RMM: 7 -0.323849492225E+03 -0.19410E-04 -0.28081E-04 3922 0.490E-02 0.156E-01 RMM: 8 -0.323849329789E+03 0.16244E-03 -0.10346E-04 3776 0.317E-02 0.446E-02 RMM: 9 -0.323849328608E+03 0.11811E-05 -0.24432E-05 2745 0.152E-02 476 T= 6884. E= 0.68517799E+03 F= 0.62822626E+03 E0= 0.65676870E+03 EK= 0.56952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323764315088E+03 0.85015E-01 -0.18241E-01 8040 0.252E+01 0.406E-01 RMM: 2 -0.323780994238E+03 -0.16679E-01 -0.99818E-02 5121 0.773E-01 0.125E+00 RMM: 3 -0.323770499603E+03 0.10495E-01 -0.11283E-02 5479 0.236E-01 0.311E-01 RMM: 4 -0.323770937844E+03 -0.43824E-03 -0.27650E-03 5306 0.135E-01 0.445E-01 RMM: 5 -0.323769797074E+03 0.11408E-02 -0.19521E-03 4644 0.125E-01 0.211E-01 RMM: 6 -0.323769708400E+03 0.88674E-04 -0.47633E-04 4440 0.572E-02 0.191E-01 RMM: 7 -0.323769527488E+03 0.18091E-03 -0.33618E-04 4259 0.568E-02 0.124E-01 RMM: 8 -0.323769431595E+03 0.95893E-04 -0.60795E-05 3405 0.233E-02 0.450E-02 RMM: 9 -0.323769437032E+03 -0.54368E-05 -0.22885E-05 2572 0.146E-02 477 T= 7242. E= 0.68771556E+03 F= 0.62780640E+03 E0= 0.65634073E+03 EK= 0.59909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323537672784E+03 0.23176E+00 -0.18742E-01 8040 0.255E+01 0.416E-01 RMM: 2 -0.323554166618E+03 -0.16494E-01 -0.10747E-01 5072 0.805E-01 0.121E+00 RMM: 3 -0.323544432450E+03 0.97342E-02 -0.12627E-02 5504 0.247E-01 0.323E-01 RMM: 4 -0.323544833251E+03 -0.40080E-03 -0.25619E-03 5281 0.128E-01 0.445E-01 RMM: 5 -0.323543860689E+03 0.97256E-03 -0.20178E-03 4646 0.128E-01 0.272E-01 RMM: 6 -0.323543479183E+03 0.38151E-03 -0.54047E-04 4531 0.610E-02 0.147E-01 RMM: 7 -0.323543454607E+03 0.24576E-04 -0.31211E-04 4123 0.529E-02 0.155E-01 RMM: 8 -0.323543300121E+03 0.15449E-03 -0.92138E-05 3738 0.291E-02 0.469E-02 RMM: 9 -0.323543300727E+03 -0.60603E-06 -0.23381E-05 2677 0.150E-02 478 T= 7292. E= 0.68787043E+03 F= 0.62754221E+03 E0= 0.65606665E+03 EK= 0.60328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323120869789E+03 0.42243E+00 -0.18711E-01 7872 0.253E+01 0.434E-01 RMM: 2 -0.323134546330E+03 -0.13677E-01 -0.11462E-01 4952 0.812E-01 0.991E-01 RMM: 3 -0.323128035959E+03 0.65104E-02 -0.13183E-02 5577 0.243E-01 0.334E-01 RMM: 4 -0.323129316271E+03 -0.12803E-02 -0.34291E-03 5298 0.154E-01 0.578E-01 RMM: 5 -0.323127278371E+03 0.20379E-02 -0.16607E-03 4650 0.111E-01 0.218E-01 RMM: 6 -0.323127053476E+03 0.22489E-03 -0.40615E-04 4167 0.529E-02 0.142E-01 RMM: 7 -0.323127008910E+03 0.44566E-04 -0.24286E-04 3887 0.483E-02 0.135E-01 RMM: 8 -0.323126890306E+03 0.11860E-03 -0.75288E-05 3558 0.267E-02 0.446E-02 RMM: 9 -0.323126892819E+03 -0.25120E-05 -0.22587E-05 2643 0.145E-02 479 T= 7009. E= 0.68544886E+03 F= 0.62746732E+03 E0= 0.65598127E+03 EK= 0.57982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322534246420E+03 0.59264E+00 -0.17212E-01 8148 0.246E+01 0.475E-01 RMM: 2 -0.322547809640E+03 -0.13563E-01 -0.89945E-02 5167 0.722E-01 0.119E+00 RMM: 3 -0.322538298961E+03 0.95107E-02 -0.10602E-02 5416 0.234E-01 0.348E-01 RMM: 4 -0.322540200068E+03 -0.19011E-02 -0.36136E-03 5277 0.153E-01 0.653E-01 RMM: 5 -0.322537595447E+03 0.26046E-02 -0.16926E-03 4685 0.115E-01 0.235E-01 RMM: 6 -0.322537260950E+03 0.33450E-03 -0.35369E-04 3985 0.486E-02 0.103E-01 RMM: 7 -0.322537280022E+03 -0.19072E-04 -0.18303E-04 3887 0.407E-02 480 T= 6528. E= 0.68156194E+03 F= 0.62755580E+03 E0= 0.65605937E+03 EK= 0.54006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321832838544E+03 0.70442E+00 -0.16528E-01 7824 0.237E+01 0.554E-01 RMM: 2 -0.321842275061E+03 -0.94365E-02 -0.89872E-02 5191 0.714E-01 0.102E+00 RMM: 3 -0.321836208272E+03 0.60668E-02 -0.10869E-02 5405 0.235E-01 0.464E-01 RMM: 4 -0.321838483130E+03 -0.22749E-02 -0.42471E-03 5249 0.165E-01 0.763E-01 RMM: 5 -0.321834607090E+03 0.38760E-02 -0.22383E-03 4674 0.130E-01 0.179E-01 RMM: 6 -0.321834536036E+03 0.71054E-04 -0.39676E-04 4286 0.509E-02 0.162E-01 RMM: 7 -0.321834440109E+03 0.95926E-04 -0.17342E-04 3879 0.398E-02 0.130E-01 RMM: 8 -0.321834330789E+03 0.10932E-03 -0.66117E-05 3453 0.245E-02 0.492E-02 RMM: 9 -0.321834349769E+03 -0.18980E-04 -0.38259E-05 3041 0.171E-02 481 T= 6050. E= 0.67779757E+03 F= 0.62774372E+03 E0= 0.65623661E+03 EK= 0.50054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321085139301E+03 0.74919E+00 -0.15872E-01 7884 0.229E+01 0.453E-01 RMM: 2 -0.321094177555E+03 -0.90383E-02 -0.79662E-02 5126 0.671E-01 0.933E-01 RMM: 3 -0.321088682692E+03 0.54949E-02 -0.91833E-03 5414 0.211E-01 0.369E-01 RMM: 4 -0.321090406414E+03 -0.17237E-02 -0.29541E-03 5290 0.139E-01 0.633E-01 RMM: 5 -0.321087740580E+03 0.26658E-02 -0.13134E-03 4617 0.999E-02 0.155E-01 RMM: 6 -0.321087609071E+03 0.13151E-03 -0.24921E-04 3900 0.406E-02 0.890E-02 RMM: 7 -0.321087626014E+03 -0.16943E-04 -0.86516E-05 3698 0.274E-02 482 T= 5731. E= 0.67537193E+03 F= 0.62796397E+03 E0= 0.65644859E+03 EK= 0.47408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320350280379E+03 0.73733E+00 -0.15147E-01 7776 0.226E+01 0.541E-01 RMM: 2 -0.320356156805E+03 -0.58764E-02 -0.70437E-02 5201 0.650E-01 0.878E-01 RMM: 3 -0.320352276721E+03 0.38801E-02 -0.91261E-03 5381 0.222E-01 0.481E-01 RMM: 4 -0.320354192649E+03 -0.19159E-02 -0.37017E-03 5250 0.156E-01 0.733E-01 RMM: 5 -0.320350562932E+03 0.36297E-02 -0.19431E-03 4663 0.121E-01 0.174E-01 RMM: 6 -0.320350492190E+03 0.70742E-04 -0.36129E-04 4136 0.484E-02 0.160E-01 RMM: 7 -0.320350408188E+03 0.84002E-04 -0.16884E-04 3876 0.386E-02 0.136E-01 RMM: 8 -0.320350286225E+03 0.12196E-03 -0.83398E-05 3587 0.271E-02 0.453E-02 RMM: 9 -0.320350306977E+03 -0.20753E-04 -0.37502E-05 3046 0.173E-02 0.793E-02 RMM: 10 -0.320350264687E+03 0.42290E-04 -0.23829E-05 2653 0.161E-02 0.314E-02 RMM: 11 -0.320350257495E+03 0.71922E-05 -0.56079E-06 2449 0.708E-03 483 T= 5648. E= 0.67489727E+03 F= 0.62817161E+03 E0= 0.65664973E+03 EK= 0.46726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319641644479E+03 0.70862E+00 -0.15620E-01 7884 0.227E+01 0.411E-01 RMM: 2 -0.319647251797E+03 -0.56073E-02 -0.72905E-02 5075 0.649E-01 0.616E-01 RMM: 3 -0.319645525839E+03 0.17260E-02 -0.82611E-03 5452 0.193E-01 0.399E-01 RMM: 4 -0.319646429599E+03 -0.90376E-03 -0.23776E-03 5229 0.128E-01 0.561E-01 RMM: 5 -0.319644317507E+03 0.21121E-02 -0.11251E-03 4609 0.907E-02 0.134E-01 RMM: 6 -0.319644274094E+03 0.43413E-04 -0.27036E-04 3904 0.425E-02 0.120E-01 RMM: 7 -0.319644205239E+03 0.68856E-04 -0.99622E-05 3826 0.318E-02 0.829E-02 RMM: 8 -0.319644159898E+03 0.45341E-04 -0.19888E-05 2593 0.141E-02 0.257E-02 RMM: 9 -0.319644163158E+03 -0.32605E-05 -0.13954E-05 2492 0.109E-02 484 T= 5821. E= 0.67650942E+03 F= 0.62835583E+03 E0= 0.65683035E+03 EK= 0.48154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318953389263E+03 0.69077E+00 -0.16318E-01 7956 0.234E+01 0.419E-01 RMM: 2 -0.318960349361E+03 -0.69601E-02 -0.67657E-02 5232 0.641E-01 0.807E-01 RMM: 3 -0.318956446423E+03 0.39029E-02 -0.71107E-03 5442 0.184E-01 0.303E-01 RMM: 4 -0.318957823688E+03 -0.13773E-02 -0.27537E-03 5221 0.139E-01 0.574E-01 RMM: 5 -0.318955654433E+03 0.21693E-02 -0.13805E-03 4628 0.102E-01 0.145E-01 RMM: 6 -0.318955676210E+03 -0.21777E-04 -0.35050E-04 3987 0.492E-02 0.167E-01 RMM: 7 -0.318955542086E+03 0.13412E-03 -0.15854E-04 3868 0.399E-02 0.111E-01 RMM: 8 -0.318955463246E+03 0.78841E-04 -0.48340E-05 3256 0.209E-02 0.389E-02 RMM: 9 -0.318955474350E+03 -0.11104E-04 -0.23375E-05 2629 0.144E-02 485 T= 6212. E= 0.67992700E+03 F= 0.62854046E+03 E0= 0.65701326E+03 EK= 0.51387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318231318369E+03 0.72414E+00 -0.18668E-01 7716 0.243E+01 0.365E-01 RMM: 2 -0.318241461166E+03 -0.10143E-01 -0.92362E-02 5096 0.749E-01 0.802E-01 RMM: 3 -0.318237312994E+03 0.41482E-02 -0.98375E-03 5573 0.201E-01 0.266E-01 RMM: 4 -0.318238046333E+03 -0.73334E-03 -0.24068E-03 5227 0.133E-01 0.468E-01 RMM: 5 -0.318236685029E+03 0.13613E-02 -0.12451E-03 4615 0.967E-02 0.175E-01 RMM: 6 -0.318236666616E+03 0.18414E-04 -0.40663E-04 4073 0.530E-02 0.177E-01 RMM: 7 -0.318236524715E+03 0.14190E-03 -0.19732E-04 3876 0.438E-02 0.119E-01 RMM: 8 -0.318236431026E+03 0.93689E-04 -0.48913E-05 3270 0.214E-02 0.356E-02 RMM: 9 -0.318236435926E+03 -0.48997E-05 -0.19890E-05 2570 0.133E-02 486 T= 6715. E= 0.68432948E+03 F= 0.62877860E+03 E0= 0.65724809E+03 EK= 0.55551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317416501995E+03 0.81993E+00 -0.20190E-01 7824 0.252E+01 0.370E-01 RMM: 2 -0.317429141251E+03 -0.12639E-01 -0.87375E-02 5235 0.740E-01 0.106E+00 RMM: 3 -0.317421866108E+03 0.72751E-02 -0.86993E-03 5483 0.201E-01 0.249E-01 RMM: 4 -0.317422481625E+03 -0.61552E-03 -0.23154E-03 5217 0.129E-01 0.439E-01 RMM: 5 -0.317421342887E+03 0.11387E-02 -0.13461E-03 4616 0.102E-01 0.188E-01 RMM: 6 -0.317421344027E+03 -0.11397E-05 -0.44397E-04 4234 0.552E-02 0.195E-01 RMM: 7 -0.317421152104E+03 0.19192E-03 -0.23413E-04 3878 0.473E-02 0.121E-01 RMM: 8 -0.317421056913E+03 0.95191E-04 -0.60720E-05 3398 0.238E-02 0.398E-02 RMM: 9 -0.317421062244E+03 -0.53310E-05 -0.19304E-05 2566 0.130E-02 487 T= 7151. E= 0.68829598E+03 F= 0.62913536E+03 E0= 0.65759844E+03 EK= 0.59161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316449246642E+03 0.97181E+00 -0.21947E-01 7656 0.257E+01 0.353E-01 RMM: 2 -0.316462140065E+03 -0.12893E-01 -0.10771E-01 5088 0.809E-01 0.897E-01 RMM: 3 -0.316456766620E+03 0.53734E-02 -0.11447E-02 5577 0.216E-01 0.252E-01 RMM: 4 -0.316457343623E+03 -0.57700E-03 -0.22914E-03 5241 0.130E-01 0.438E-01 RMM: 5 -0.316456147417E+03 0.11962E-02 -0.11481E-03 4615 0.921E-02 0.167E-01 RMM: 6 -0.316456212966E+03 -0.65549E-04 -0.42856E-04 4114 0.541E-02 0.201E-01 RMM: 7 -0.316456004226E+03 0.20874E-03 -0.21442E-04 3882 0.452E-02 0.118E-01 RMM: 8 -0.316455912667E+03 0.91559E-04 -0.54656E-05 3343 0.224E-02 0.369E-02 RMM: 9 -0.316455917322E+03 -0.46548E-05 -0.21553E-05 2584 0.138E-02 488 T= 7326. E= 0.69026320E+03 F= 0.62965777E+03 E0= 0.65810724E+03 EK= 0.60605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315328733842E+03 0.11272E+01 -0.21828E-01 7848 0.257E+01 0.370E-01 RMM: 2 -0.315340159425E+03 -0.11426E-01 -0.10521E-01 4893 0.814E-01 0.818E-01 RMM: 3 -0.315335964087E+03 0.41953E-02 -0.12247E-02 5673 0.223E-01 0.260E-01 RMM: 4 -0.315336733828E+03 -0.76974E-03 -0.25031E-03 5273 0.134E-01 0.479E-01 RMM: 5 -0.315335278557E+03 0.14553E-02 -0.12516E-03 4613 0.969E-02 0.151E-01 RMM: 6 -0.315335335464E+03 -0.56908E-04 -0.33411E-04 3915 0.481E-02 0.184E-01 RMM: 7 -0.315335155416E+03 0.18005E-03 -0.16488E-04 3866 0.408E-02 0.105E-01 RMM: 8 -0.315335084012E+03 0.71404E-04 -0.46581E-05 3231 0.205E-02 0.369E-02 RMM: 9 -0.315335089972E+03 -0.59602E-05 -0.18913E-05 2559 0.129E-02 489 T= 7152. E= 0.68950463E+03 F= 0.63034244E+03 E0= 0.65877160E+03 EK= 0.59162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314103460457E+03 0.12316E+01 -0.21639E-01 7632 0.251E+01 0.408E-01 RMM: 2 -0.314115739588E+03 -0.12279E-01 -0.11766E-01 4762 0.848E-01 0.810E-01 RMM: 3 -0.314111310215E+03 0.44294E-02 -0.14080E-02 5529 0.249E-01 0.315E-01 RMM: 4 -0.314112194166E+03 -0.88395E-03 -0.27466E-03 5323 0.138E-01 0.507E-01 RMM: 5 -0.314110473676E+03 0.17205E-02 -0.10835E-03 4619 0.884E-02 0.138E-01 RMM: 6 -0.314110472759E+03 0.91722E-06 -0.26930E-04 3910 0.425E-02 0.146E-01 RMM: 7 -0.314110399846E+03 0.72913E-04 -0.11850E-04 3856 0.330E-02 0.115E-01 RMM: 8 -0.314110308742E+03 0.91104E-04 -0.53196E-05 3314 0.219E-02 0.330E-02 RMM: 9 -0.314110316339E+03 -0.75968E-05 -0.20280E-05 2599 0.132E-02 490 T= 6717. E= 0.68669763E+03 F= 0.63112876E+03 E0= 0.65953125E+03 EK= 0.55569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312863598652E+03 0.12467E+01 -0.19763E-01 7596 0.243E+01 0.428E-01 RMM: 2 -0.312871694455E+03 -0.80958E-02 -0.98026E-02 4778 0.776E-01 0.626E-01 RMM: 3 -0.312869863322E+03 0.18311E-02 -0.11694E-02 5468 0.233E-01 0.417E-01 RMM: 4 -0.312870318247E+03 -0.45493E-03 -0.24650E-03 5296 0.127E-01 0.521E-01 RMM: 5 -0.312868479133E+03 0.18391E-02 -0.12376E-03 4616 0.951E-02 0.106E-01 RMM: 6 -0.312868532724E+03 -0.53591E-04 -0.20817E-04 3888 0.370E-02 0.146E-01 RMM: 7 -0.312868424392E+03 0.10833E-03 -0.85545E-05 3705 0.285E-02 0.919E-02 RMM: 8 -0.312868368384E+03 0.56008E-04 -0.38148E-05 3107 0.185E-02 0.324E-02 RMM: 9 -0.312868377109E+03 -0.87254E-05 -0.19873E-05 2560 0.131E-02 491 T= 6219. E= 0.68337283E+03 F= 0.63192466E+03 E0= 0.66029827E+03 EK= 0.51448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311694206801E+03 0.11742E+01 -0.17488E-01 7680 0.235E+01 0.446E-01 RMM: 2 -0.311700941798E+03 -0.67350E-02 -0.75030E-02 4944 0.685E-01 0.749E-01 RMM: 3 -0.311697847141E+03 0.30947E-02 -0.93811E-03 5373 0.221E-01 0.408E-01 RMM: 4 -0.311698614615E+03 -0.76747E-03 -0.26519E-03 5323 0.133E-01 0.536E-01 RMM: 5 -0.311696647718E+03 0.19669E-02 -0.12078E-03 4609 0.948E-02 0.136E-01 RMM: 6 -0.311696598801E+03 0.48918E-04 -0.20794E-04 3892 0.372E-02 0.118E-01 RMM: 7 -0.311696569381E+03 0.29420E-04 -0.90870E-05 3700 0.280E-02 0.110E-01 RMM: 8 -0.311696485682E+03 0.83699E-04 -0.48245E-05 3258 0.211E-02 0.308E-02 RMM: 9 -0.311696494968E+03 -0.92864E-05 -0.18858E-05 2557 0.126E-02 492 T= 5838. E= 0.68093872E+03 F= 0.63264307E+03 E0= 0.66098760E+03 EK= 0.48296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310650454419E+03 0.10460E+01 -0.16609E-01 7728 0.231E+01 0.425E-01 RMM: 2 -0.310656360265E+03 -0.59058E-02 -0.75845E-02 4888 0.683E-01 0.611E-01 RMM: 3 -0.310654734043E+03 0.16262E-02 -0.90898E-03 5388 0.211E-01 0.424E-01 RMM: 4 -0.310655218863E+03 -0.48482E-03 -0.23103E-03 5287 0.123E-01 0.524E-01 RMM: 5 -0.310653366953E+03 0.18519E-02 -0.11594E-03 4612 0.924E-02 0.120E-01 RMM: 6 -0.310653351740E+03 0.15213E-04 -0.22051E-04 3897 0.382E-02 0.121E-01 RMM: 7 -0.310653307889E+03 0.43851E-04 -0.82888E-05 3682 0.279E-02 0.104E-01 RMM: 8 -0.310653234125E+03 0.73765E-04 -0.36173E-05 3064 0.184E-02 0.316E-02 RMM: 9 -0.310653241248E+03 -0.71234E-05 -0.19084E-05 2549 0.126E-02 493 T= 5680. E= 0.68021994E+03 F= 0.63323093E+03 E0= 0.66155038E+03 EK= 0.46989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309758911491E+03 0.89432E+00 -0.16660E-01 7800 0.231E+01 0.404E-01 RMM: 2 -0.309767724448E+03 -0.88130E-02 -0.69276E-02 4928 0.654E-01 0.905E-01 RMM: 3 -0.309762249418E+03 0.54750E-02 -0.86691E-03 5388 0.209E-01 0.293E-01 RMM: 4 -0.309763241926E+03 -0.99251E-03 -0.25765E-03 5312 0.132E-01 0.499E-01 RMM: 5 -0.309761600581E+03 0.16413E-02 -0.11055E-03 4607 0.911E-02 0.142E-01 RMM: 6 -0.309761537618E+03 0.62964E-04 -0.20979E-04 3889 0.376E-02 0.115E-01 RMM: 7 -0.309761490840E+03 0.46777E-04 -0.92150E-05 3773 0.296E-02 0.941E-02 RMM: 8 -0.309761431513E+03 0.59327E-04 -0.32605E-05 3040 0.177E-02 0.316E-02 RMM: 9 -0.309761438055E+03 -0.65424E-05 -0.15079E-05 2518 0.112E-02 494 T= 5781. E= 0.68150230E+03 F= 0.63367417E+03 E0= 0.66197292E+03 EK= 0.47828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309003504873E+03 0.75793E+00 -0.16924E-01 8016 0.236E+01 0.366E-01 RMM: 2 -0.309011216566E+03 -0.77117E-02 -0.69621E-02 4995 0.653E-01 0.768E-01 RMM: 3 -0.309007426984E+03 0.37896E-02 -0.81234E-03 5435 0.197E-01 0.275E-01 RMM: 4 -0.309008310886E+03 -0.88390E-03 -0.20580E-03 5128 0.117E-01 0.479E-01 RMM: 5 -0.309006875588E+03 0.14353E-02 -0.10990E-03 4611 0.919E-02 0.173E-01 RMM: 6 -0.309006737227E+03 0.13836E-03 -0.28318E-04 3913 0.441E-02 0.112E-01 RMM: 7 -0.309006730140E+03 0.70876E-05 -0.12551E-04 3850 0.350E-02 495 T= 6121. E= 0.68463564E+03 F= 0.63399576E+03 E0= 0.66228106E+03 EK= 0.50640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308339809991E+03 0.66693E+00 -0.18051E-01 8088 0.244E+01 0.371E-01 RMM: 2 -0.308348641776E+03 -0.88318E-02 -0.80893E-02 5040 0.708E-01 0.769E-01 RMM: 3 -0.308344859963E+03 0.37818E-02 -0.91420E-03 5555 0.201E-01 0.297E-01 RMM: 4 -0.308345452727E+03 -0.59276E-03 -0.21678E-03 5201 0.122E-01 0.456E-01 RMM: 5 -0.308344113160E+03 0.13396E-02 -0.13848E-03 4616 0.103E-01 0.156E-01 RMM: 6 -0.308344167669E+03 -0.54509E-04 -0.35099E-04 3919 0.497E-02 0.191E-01 RMM: 7 -0.308343963458E+03 0.20421E-03 -0.21496E-04 3878 0.467E-02 0.103E-01 RMM: 8 -0.308343899408E+03 0.64050E-04 -0.51483E-05 3291 0.215E-02 0.454E-02 RMM: 9 -0.308343909988E+03 -0.10580E-04 -0.27936E-05 2724 0.155E-02 496 T= 6613. E= 0.68895111E+03 F= 0.63424618E+03 E0= 0.66252672E+03 EK= 0.54705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307707198117E+03 0.63670E+00 -0.19838E-01 8052 0.253E+01 0.261E-01 RMM: 2 -0.307718390641E+03 -0.11193E-01 -0.95119E-02 4914 0.764E-01 0.745E-01 RMM: 3 -0.307714637845E+03 0.37528E-02 -0.11062E-02 5813 0.203E-01 0.195E-01 RMM: 4 -0.307714630993E+03 0.68521E-05 -0.11718E-03 4962 0.904E-02 0.281E-01 RMM: 5 -0.307714127388E+03 0.50360E-03 -0.79189E-04 4608 0.806E-02 0.119E-01 RMM: 6 -0.307714208731E+03 -0.81344E-04 -0.30917E-04 3914 0.463E-02 0.164E-01 RMM: 7 -0.307714072596E+03 0.13613E-03 -0.11802E-04 3796 0.346E-02 0.919E-02 RMM: 8 -0.307714014641E+03 0.57955E-04 -0.24064E-05 2743 0.150E-02 0.246E-02 RMM: 9 -0.307714014365E+03 0.27598E-06 -0.10088E-05 2473 0.943E-03 497 T= 7091. E= 0.69314387E+03 F= 0.63448449E+03 E0= 0.66276787E+03 EK= 0.58659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307064140133E+03 0.64987E+00 -0.21105E-01 7968 0.259E+01 0.334E-01 RMM: 2 -0.307075885996E+03 -0.11746E-01 -0.10741E-01 4909 0.819E-01 0.774E-01 RMM: 3 -0.307071995070E+03 0.38909E-02 -0.12849E-02 5753 0.225E-01 0.248E-01 RMM: 4 -0.307072260535E+03 -0.26547E-03 -0.18268E-03 5128 0.113E-01 0.383E-01 RMM: 5 -0.307071362502E+03 0.89803E-03 -0.10954E-03 4609 0.913E-02 0.170E-01 RMM: 6 -0.307071371999E+03 -0.94965E-05 -0.38946E-04 4094 0.517E-02 0.182E-01 RMM: 7 -0.307071230871E+03 0.14113E-03 -0.20117E-04 3880 0.439E-02 0.126E-01 RMM: 8 -0.307071127256E+03 0.10361E-03 -0.57529E-05 3353 0.230E-02 0.400E-02 RMM: 9 -0.307071129470E+03 -0.22131E-05 -0.25520E-05 2670 0.151E-02 498 T= 7352. E= 0.69557245E+03 F= 0.63475177E+03 E0= 0.66304494E+03 EK= 0.60821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306403279835E+03 0.66785E+00 -0.21021E-01 7932 0.260E+01 0.306E-01 RMM: 2 -0.306415002548E+03 -0.11723E-01 -0.10516E-01 4866 0.796E-01 0.753E-01 RMM: 3 -0.306411219552E+03 0.37830E-02 -0.12482E-02 5814 0.217E-01 0.212E-01 RMM: 4 -0.306411536159E+03 -0.31661E-03 -0.16158E-03 5132 0.106E-01 0.364E-01 RMM: 5 -0.306410658094E+03 0.87807E-03 -0.83882E-04 4604 0.795E-02 0.117E-01 RMM: 6 -0.306410751166E+03 -0.93073E-04 -0.30554E-04 3926 0.460E-02 0.171E-01 RMM: 7 -0.306410592140E+03 0.15903E-03 -0.13222E-04 3857 0.367E-02 0.895E-02 RMM: 8 -0.306410539026E+03 0.53114E-04 -0.29606E-05 2949 0.165E-02 0.322E-02 RMM: 9 -0.306410542050E+03 -0.30242E-05 -0.17105E-05 2514 0.123E-02 499 T= 7269. E= 0.69518281E+03 F= 0.63504482E+03 E0= 0.66335200E+03 EK= 0.60138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305768570699E+03 0.64197E+00 -0.21002E-01 7608 0.255E+01 0.349E-01 RMM: 2 -0.305780022044E+03 -0.11451E-01 -0.11553E-01 4790 0.830E-01 0.677E-01 RMM: 3 -0.305777015706E+03 0.30063E-02 -0.13705E-02 5777 0.229E-01 0.279E-01 RMM: 4 -0.305777668338E+03 -0.65263E-03 -0.20927E-03 5262 0.120E-01 0.459E-01 RMM: 5 -0.305776259776E+03 0.14086E-02 -0.93633E-04 4608 0.824E-02 0.129E-01 RMM: 6 -0.305776245927E+03 0.13850E-04 -0.24323E-04 3907 0.408E-02 0.127E-01 RMM: 7 -0.305776190700E+03 0.55227E-04 -0.99896E-05 3791 0.306E-02 0.102E-01 RMM: 8 -0.305776121306E+03 0.69394E-04 -0.34410E-05 3052 0.180E-02 0.301E-02 RMM: 9 -0.305776124786E+03 -0.34799E-05 -0.15591E-05 2516 0.114E-02 500 T= 6889. E= 0.69230513E+03 F= 0.63531150E+03 E0= 0.66363323E+03 EK= 0.56994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305233250716E+03 0.54287E+00 -0.19657E-01 7836 0.247E+01 0.382E-01 RMM: 2 -0.305244736338E+03 -0.11486E-01 -0.10046E-01 4903 0.771E-01 0.869E-01 RMM: 3 -0.305239694596E+03 0.50417E-02 -0.11257E-02 5502 0.222E-01 0.263E-01 RMM: 4 -0.305240770521E+03 -0.10759E-02 -0.22322E-03 5235 0.120E-01 0.498E-01 RMM: 5 -0.305239120673E+03 0.16498E-02 -0.92930E-04 4612 0.822E-02 0.142E-01 RMM: 6 -0.305239041774E+03 0.78900E-04 -0.21069E-04 3893 0.373E-02 0.105E-01 RMM: 7 -0.305239045112E+03 -0.33384E-05 -0.96418E-05 3765 0.286E-02 501 T= 6394. E= 0.68836720E+03 F= 0.63547478E+03 E0= 0.66380903E+03 EK= 0.52892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304859173069E+03 0.37987E+00 -0.18667E-01 7824 0.238E+01 0.427E-01 RMM: 2 -0.304868592703E+03 -0.94196E-02 -0.90770E-02 5031 0.738E-01 0.819E-01 RMM: 3 -0.304864487113E+03 0.41056E-02 -0.10043E-02 5432 0.215E-01 0.355E-01 RMM: 4 -0.304865712824E+03 -0.12257E-02 -0.26178E-03 5267 0.129E-01 0.570E-01 RMM: 5 -0.304863468051E+03 0.22448E-02 -0.12686E-03 4612 0.964E-02 0.115E-01 RMM: 6 -0.304863504037E+03 -0.35986E-04 -0.24172E-04 3894 0.395E-02 0.145E-01 RMM: 7 -0.304863432929E+03 0.71108E-04 -0.10196E-04 3789 0.294E-02 0.116E-01 RMM: 8 -0.304863341504E+03 0.91425E-04 -0.50186E-05 3296 0.207E-02 0.319E-02 RMM: 9 -0.304863352130E+03 -0.10626E-04 -0.21141E-05 2603 0.133E-02 502 T= 5975. E= 0.68489644E+03 F= 0.63546900E+03 E0= 0.66381309E+03 EK= 0.49427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304680096333E+03 0.18325E+00 -0.17705E-01 7824 0.233E+01 0.363E-01 RMM: 2 -0.304691447995E+03 -0.11352E-01 -0.90060E-02 5000 0.729E-01 0.925E-01 RMM: 3 -0.304685700375E+03 0.57476E-02 -0.10026E-02 5482 0.210E-01 0.241E-01 RMM: 4 -0.304686732506E+03 -0.10321E-02 -0.20633E-03 5101 0.113E-01 0.478E-01 RMM: 5 -0.304685276074E+03 0.14564E-02 -0.83611E-04 4610 0.782E-02 0.157E-01 RMM: 6 -0.304685134102E+03 0.14197E-03 -0.19206E-04 3897 0.358E-02 0.769E-02 RMM: 7 -0.304685171685E+03 -0.37583E-04 -0.76245E-05 3556 0.249E-02 0.110E-01 RMM: 8 -0.304685086195E+03 0.85490E-04 -0.38159E-05 3125 0.196E-02 0.231E-02 RMM: 9 -0.304685085805E+03 0.39026E-06 -0.80273E-06 2477 0.795E-03 503 T= 5756. E= 0.68287672E+03 F= 0.63526115E+03 E0= 0.66361167E+03 EK= 0.47616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304701152281E+03 -0.16066E-01 -0.16989E-01 7824 0.232E+01 0.369E-01 RMM: 2 -0.304710340820E+03 -0.91885E-02 -0.87003E-02 4991 0.709E-01 0.754E-01 RMM: 3 -0.304706651131E+03 0.36897E-02 -0.96969E-03 5546 0.201E-01 0.290E-01 RMM: 4 -0.304707567733E+03 -0.91660E-03 -0.21321E-03 5133 0.118E-01 0.495E-01 RMM: 5 -0.304705933660E+03 0.16341E-02 -0.10016E-03 4605 0.855E-02 0.122E-01 RMM: 6 -0.304705915986E+03 0.17674E-04 -0.20488E-04 3886 0.365E-02 0.120E-01 RMM: 7 -0.304705868370E+03 0.47616E-04 -0.87397E-05 3716 0.284E-02 0.985E-02 RMM: 8 -0.304705803870E+03 0.64500E-04 -0.31243E-05 2992 0.174E-02 0.308E-02 RMM: 9 -0.304705807103E+03 -0.32330E-05 -0.16050E-05 2515 0.116E-02 504 T= 5784. E= 0.68270211E+03 F= 0.63485604E+03 E0= 0.66321057E+03 EK= 0.47846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304888161659E+03 -0.18236E+00 -0.17560E-01 7800 0.235E+01 0.342E-01 RMM: 2 -0.304901539078E+03 -0.13377E-01 -0.92265E-02 4973 0.740E-01 0.103E+00 RMM: 3 -0.304894308666E+03 0.72304E-02 -0.10394E-02 5516 0.213E-01 0.225E-01 RMM: 4 -0.304894841305E+03 -0.53264E-03 -0.18560E-03 5039 0.108E-01 0.395E-01 RMM: 5 -0.304893942795E+03 0.89851E-03 -0.84535E-04 4604 0.797E-02 0.184E-01 RMM: 6 -0.304893783251E+03 0.15954E-03 -0.25632E-04 3899 0.416E-02 0.111E-01 RMM: 7 -0.304893798981E+03 -0.15730E-04 -0.12879E-04 3869 0.338E-02 505 T= 6046. E= 0.68430521E+03 F= 0.63429253E+03 E0= 0.66264896E+03 EK= 0.50013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305181175636E+03 -0.28739E+00 -0.19058E-01 7800 0.243E+01 0.344E-01 RMM: 2 -0.305192662109E+03 -0.11486E-01 -0.10202E-01 5040 0.776E-01 0.802E-01 RMM: 3 -0.305188488749E+03 0.41734E-02 -0.11329E-02 5675 0.210E-01 0.270E-01 RMM: 4 -0.305188724975E+03 -0.23623E-03 -0.17200E-03 4929 0.106E-01 0.385E-01 RMM: 5 -0.305187765597E+03 0.95938E-03 -0.11569E-03 4606 0.951E-02 0.150E-01 RMM: 6 -0.305187829234E+03 -0.63638E-04 -0.37411E-04 3923 0.506E-02 0.186E-01 RMM: 7 -0.305187684972E+03 0.14426E-03 -0.18148E-04 3883 0.418E-02 0.127E-01 RMM: 8 -0.305187578097E+03 0.10688E-03 -0.67840E-05 3479 0.241E-02 0.405E-02 RMM: 9 -0.305187583280E+03 -0.51826E-05 -0.24854E-05 2703 0.148E-02 506 T= 6469. E= 0.68715710E+03 F= 0.63363732E+03 E0= 0.66199471E+03 EK= 0.53520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305498070759E+03 -0.31049E+00 -0.21083E-01 7656 0.251E+01 0.286E-01 RMM: 2 -0.305516892322E+03 -0.18822E-01 -0.12434E-01 5001 0.861E-01 0.115E+00 RMM: 3 -0.305507910134E+03 0.89822E-02 -0.13865E-02 5671 0.232E-01 0.195E-01 RMM: 4 -0.305507791711E+03 0.11842E-03 -0.12483E-03 4831 0.855E-02 0.247E-01 RMM: 5 -0.305507424772E+03 0.36694E-03 -0.61423E-04 4597 0.704E-02 0.134E-01 RMM: 6 -0.305507443471E+03 -0.18699E-04 -0.26631E-04 3892 0.424E-02 0.147E-01 RMM: 7 -0.305507390044E+03 0.53427E-04 -0.10609E-04 3770 0.310E-02 0.119E-01 RMM: 8 -0.305507291209E+03 0.98834E-04 -0.46096E-05 3241 0.202E-02 0.265E-02 RMM: 9 -0.305507289365E+03 0.18445E-05 -0.93284E-06 2485 0.888E-03 507 T= 6916. E= 0.69018834E+03 F= 0.63297170E+03 E0= 0.66132646E+03 EK= 0.57217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305770140262E+03 -0.26285E+00 -0.21487E-01 7836 0.257E+01 0.316E-01 RMM: 2 -0.305783663718E+03 -0.13523E-01 -0.11606E-01 5099 0.832E-01 0.851E-01 RMM: 3 -0.305778925666E+03 0.47381E-02 -0.12365E-02 5771 0.214E-01 0.231E-01 RMM: 4 -0.305778984561E+03 -0.58895E-04 -0.14863E-03 4873 0.999E-02 0.331E-01 RMM: 5 -0.305778304680E+03 0.67988E-03 -0.90220E-04 4605 0.840E-02 0.160E-01 RMM: 6 -0.305778352544E+03 -0.47863E-04 -0.37257E-04 4011 0.499E-02 0.186E-01 RMM: 7 -0.305778195403E+03 0.15714E-03 -0.17301E-04 3884 0.406E-02 0.118E-01 RMM: 8 -0.305778104553E+03 0.90850E-04 -0.45859E-05 3234 0.202E-02 0.382E-02 RMM: 9 -0.305778104745E+03 -0.19192E-06 -0.22806E-05 2562 0.141E-02 508 T= 7206. E= 0.69197919E+03 F= 0.63236783E+03 E0= 0.66071528E+03 EK= 0.59611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305954240258E+03 -0.17614E+00 -0.21875E-01 7788 0.258E+01 0.308E-01 RMM: 2 -0.305970276208E+03 -0.16036E-01 -0.10969E-01 5085 0.817E-01 0.109E+00 RMM: 3 -0.305962444973E+03 0.78312E-02 -0.12032E-02 5672 0.221E-01 0.208E-01 RMM: 4 -0.305962507019E+03 -0.62046E-04 -0.14016E-03 4834 0.931E-02 0.296E-01 RMM: 5 -0.305961963068E+03 0.54395E-03 -0.70171E-04 4601 0.744E-02 0.138E-01 RMM: 6 -0.305962010653E+03 -0.47585E-04 -0.26543E-04 3889 0.422E-02 0.164E-01 RMM: 7 -0.305961900788E+03 0.10986E-03 -0.11388E-04 3848 0.330E-02 0.111E-01 RMM: 8 -0.305961817049E+03 0.83739E-04 -0.39280E-05 3163 0.186E-02 0.297E-02 RMM: 9 -0.305961819637E+03 -0.25880E-05 -0.15034E-05 2512 0.113E-02 509 T= 7205. E= 0.69145899E+03 F= 0.63185837E+03 E0= 0.66019134E+03 EK= 0.59601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306067536563E+03 -0.10572E+00 -0.22005E-01 7476 0.254E+01 0.326E-01 RMM: 2 -0.306081071004E+03 -0.13534E-01 -0.11666E-01 4937 0.829E-01 0.840E-01 RMM: 3 -0.306076284857E+03 0.47861E-02 -0.13373E-02 5752 0.225E-01 0.231E-01 RMM: 4 -0.306076764686E+03 -0.47983E-03 -0.17557E-03 5060 0.107E-01 0.401E-01 RMM: 5 -0.306075760005E+03 0.10047E-02 -0.74417E-04 4608 0.741E-02 0.158E-01 RMM: 6 -0.306075659741E+03 0.10026E-03 -0.25726E-04 3885 0.417E-02 0.113E-01 RMM: 7 -0.306075656656E+03 0.30854E-05 -0.10709E-04 3839 0.314E-02 510 T= 6918. E= 0.68865426E+03 F= 0.63141972E+03 E0= 0.65972984E+03 EK= 0.57235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306172530547E+03 -0.96871E-01 -0.20435E-01 7524 0.247E+01 0.373E-01 RMM: 2 -0.306182957864E+03 -0.10427E-01 -0.10245E-01 4920 0.785E-01 0.727E-01 RMM: 3 -0.306179658662E+03 0.32992E-02 -0.12096E-02 5573 0.225E-01 0.292E-01 RMM: 4 -0.306180550477E+03 -0.89182E-03 -0.19845E-03 5117 0.111E-01 0.504E-01 RMM: 5 -0.306178872336E+03 0.16781E-02 -0.99358E-04 4610 0.849E-02 0.115E-01 RMM: 6 -0.306178917277E+03 -0.44941E-04 -0.21660E-04 3891 0.382E-02 0.148E-01 RMM: 7 -0.306178832178E+03 0.85099E-04 -0.98331E-05 3737 0.296E-02 0.108E-01 RMM: 8 -0.306178753648E+03 0.78530E-04 -0.48414E-05 3271 0.206E-02 0.328E-02 RMM: 9 -0.306178760906E+03 -0.72576E-05 -0.18997E-05 2548 0.125E-02 511 T= 6487. E= 0.68465600E+03 F= 0.63098774E+03 E0= 0.65926764E+03 EK= 0.53668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306333905066E+03 -0.15515E+00 -0.19613E-01 7632 0.238E+01 0.316E-01 RMM: 2 -0.306346772581E+03 -0.12868E-01 -0.10950E-01 4770 0.803E-01 0.815E-01 RMM: 3 -0.306341939967E+03 0.48326E-02 -0.12757E-02 5590 0.229E-01 0.217E-01 RMM: 4 -0.306342769270E+03 -0.82930E-03 -0.16765E-03 5171 0.102E-01 0.436E-01 RMM: 5 -0.306341537020E+03 0.12323E-02 -0.63025E-04 4579 0.678E-02 0.119E-01 RMM: 6 -0.306341457013E+03 0.80007E-04 -0.14297E-04 3867 0.311E-02 0.660E-02 RMM: 7 -0.306341480897E+03 -0.23885E-04 -0.53632E-05 3327 0.213E-02 0.926E-02 RMM: 8 -0.306341422413E+03 0.58485E-04 -0.28057E-05 2908 0.174E-02 0.229E-02 RMM: 9 -0.306341421547E+03 0.86526E-06 -0.71213E-06 2460 0.768E-03 512 T= 6087. E= 0.68084535E+03 F= 0.63049028E+03 E0= 0.65873375E+03 EK= 0.50355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306611164235E+03 -0.26974E+00 -0.17903E-01 7728 0.233E+01 0.358E-01 RMM: 2 -0.306620446700E+03 -0.92825E-02 -0.92837E-02 4807 0.747E-01 0.675E-01 RMM: 3 -0.306617589872E+03 0.28568E-02 -0.11341E-02 5522 0.220E-01 0.300E-01 RMM: 4 -0.306618307083E+03 -0.71721E-03 -0.19908E-03 5211 0.112E-01 0.468E-01 RMM: 5 -0.306616887991E+03 0.14191E-02 -0.91034E-04 4604 0.815E-02 0.138E-01 RMM: 6 -0.306616803075E+03 0.84916E-04 -0.16523E-04 3880 0.334E-02 0.914E-02 RMM: 7 -0.306616809680E+03 -0.66054E-05 -0.81658E-05 3650 0.263E-02 513 T= 5845. E= 0.67822768E+03 F= 0.62987600E+03 E0= 0.65807877E+03 EK= 0.48352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307020981810E+03 -0.40418E+00 -0.17714E-01 7824 0.231E+01 0.347E-01 RMM: 2 -0.307031587707E+03 -0.10606E-01 -0.91093E-02 4830 0.741E-01 0.799E-01 RMM: 3 -0.307027289775E+03 0.42979E-02 -0.10897E-02 5540 0.214E-01 0.260E-01 RMM: 4 -0.307028027428E+03 -0.73765E-03 -0.19284E-03 5149 0.111E-01 0.450E-01 RMM: 5 -0.307026746993E+03 0.12804E-02 -0.89575E-04 4600 0.818E-02 0.150E-01 RMM: 6 -0.307026651616E+03 0.95377E-04 -0.20434E-04 3874 0.372E-02 0.103E-01 RMM: 7 -0.307026649067E+03 0.25487E-05 -0.10500E-04 3836 0.310E-02 514 T= 5819. E= 0.67727083E+03 F= 0.62912796E+03 E0= 0.65728976E+03 EK= 0.48143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307549828929E+03 -0.52318E+00 -0.18555E-01 7668 0.233E+01 0.321E-01 RMM: 2 -0.307563010974E+03 -0.13182E-01 -0.10350E-01 4755 0.796E-01 0.895E-01 RMM: 3 -0.307557440166E+03 0.55708E-02 -0.12650E-02 5531 0.235E-01 0.229E-01 RMM: 4 -0.307557916400E+03 -0.47623E-03 -0.16592E-03 5164 0.101E-01 0.380E-01 RMM: 5 -0.307557127942E+03 0.78846E-03 -0.73274E-04 4600 0.734E-02 0.198E-01 RMM: 6 -0.307556882940E+03 0.24500E-03 -0.28657E-04 3922 0.446E-02 0.756E-02 RMM: 7 -0.307556913373E+03 -0.30433E-04 -0.10603E-04 3828 0.317E-02 0.110E-01 RMM: 8 -0.307556834653E+03 0.78719E-04 -0.32396E-05 3035 0.181E-02 0.342E-02 RMM: 9 -0.307556831864E+03 0.27889E-05 -0.12492E-05 2498 0.102E-02 515 T= 6011. E= 0.67799037E+03 F= 0.62826610E+03 E0= 0.65638480E+03 EK= 0.49724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308152101076E+03 -0.59527E+00 -0.17906E-01 8124 0.239E+01 0.248E-01 RMM: 2 -0.308162157827E+03 -0.10057E-01 -0.79909E-02 4956 0.691E-01 0.747E-01 RMM: 3 -0.308158235564E+03 0.39223E-02 -0.88782E-03 5567 0.191E-01 0.182E-01 RMM: 4 -0.308158447282E+03 -0.21172E-03 -0.10454E-03 4791 0.819E-02 0.293E-01 RMM: 5 -0.308157919070E+03 0.52821E-03 -0.60799E-04 4599 0.705E-02 0.119E-01 RMM: 6 -0.308157891950E+03 0.27120E-04 -0.21860E-04 3899 0.389E-02 0.106E-01 RMM: 7 -0.308157850803E+03 0.41146E-04 -0.75987E-05 3624 0.284E-02 0.800E-02 RMM: 8 -0.308157807650E+03 0.43154E-04 -0.18146E-05 2587 0.135E-02 0.230E-02 RMM: 9 -0.308157807215E+03 0.43447E-06 -0.67861E-06 2460 0.774E-03 516 T= 6363. E= 0.67998454E+03 F= 0.62734468E+03 E0= 0.65542200E+03 EK= 0.52640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308749099893E+03 -0.59129E+00 -0.18843E-01 8028 0.246E+01 0.276E-01 RMM: 2 -0.308759409055E+03 -0.10309E-01 -0.85456E-02 5079 0.728E-01 0.771E-01 RMM: 3 -0.308755489031E+03 0.39200E-02 -0.92852E-03 5744 0.189E-01 0.214E-01 RMM: 4 -0.308755424129E+03 0.64902E-04 -0.10759E-03 4794 0.850E-02 0.262E-01 RMM: 5 -0.308755025246E+03 0.39888E-03 -0.79104E-04 4604 0.806E-02 0.150E-01 RMM: 6 -0.308755024590E+03 0.65619E-06 -0.25595E-04 3885 0.420E-02 0.154E-01 RMM: 7 -0.308754917064E+03 0.10753E-03 -0.15020E-04 3881 0.392E-02 0.102E-01 RMM: 8 -0.308754850624E+03 0.66439E-04 -0.39714E-05 3133 0.192E-02 0.359E-02 RMM: 9 -0.308754851662E+03 -0.10375E-05 -0.16759E-05 2524 0.122E-02 517 T= 6763. E= 0.68239242E+03 F= 0.62644041E+03 E0= 0.65447914E+03 EK= 0.55952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309258866284E+03 -0.50402E+00 -0.20355E-01 7812 0.253E+01 0.255E-01 RMM: 2 -0.309271176783E+03 -0.12310E-01 -0.98672E-02 5030 0.787E-01 0.828E-01 RMM: 3 -0.309266707910E+03 0.44689E-02 -0.11019E-02 5792 0.204E-01 0.199E-01 RMM: 4 -0.309266507850E+03 0.20006E-03 -0.90667E-04 4752 0.757E-02 0.213E-01 RMM: 5 -0.309266242421E+03 0.26543E-03 -0.63490E-04 4608 0.730E-02 0.135E-01 RMM: 6 -0.309266253243E+03 -0.10822E-04 -0.26650E-04 3890 0.429E-02 0.142E-01 RMM: 7 -0.309266177657E+03 0.75586E-04 -0.10791E-04 3792 0.328E-02 0.103E-01 RMM: 8 -0.309266105434E+03 0.72223E-04 -0.33895E-05 3047 0.177E-02 0.312E-02 RMM: 9 -0.309266105435E+03 -0.58935E-09 -0.13462E-05 2502 0.108E-02 518 T= 7057. E= 0.68401829E+03 F= 0.62563391E+03 E0= 0.65363887E+03 EK= 0.58384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309630537170E+03 -0.36443E+00 -0.21033E-01 7680 0.255E+01 0.276E-01 RMM: 2 -0.309644172698E+03 -0.13636E-01 -0.10269E-01 5014 0.790E-01 0.908E-01 RMM: 3 -0.309638464181E+03 0.57085E-02 -0.11287E-02 5662 0.210E-01 0.198E-01 RMM: 4 -0.309638492106E+03 -0.27925E-04 -0.12143E-03 4888 0.891E-02 0.274E-01 RMM: 5 -0.309638082378E+03 0.40973E-03 -0.62495E-04 4600 0.700E-02 0.158E-01 RMM: 6 -0.309637997103E+03 0.85275E-04 -0.23781E-04 3884 0.403E-02 0.118E-01 RMM: 7 -0.309637981028E+03 0.16076E-04 -0.11660E-04 3869 0.332E-02 519 T= 7116. E= 0.68383981E+03 F= 0.62497499E+03 E0= 0.65295210E+03 EK= 0.58865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309860338910E+03 -0.22234E+00 -0.21492E-01 7800 0.253E+01 0.324E-01 RMM: 2 -0.309873245448E+03 -0.12907E-01 -0.11499E-01 4972 0.831E-01 0.791E-01 RMM: 3 -0.309868960070E+03 0.42854E-02 -0.12864E-02 5740 0.221E-01 0.231E-01 RMM: 4 -0.309869288090E+03 -0.32802E-03 -0.15217E-03 4976 0.988E-02 0.372E-01 RMM: 5 -0.309868364917E+03 0.92317E-03 -0.72558E-04 4607 0.734E-02 0.129E-01 RMM: 6 -0.309868379988E+03 -0.15071E-04 -0.21895E-04 3884 0.384E-02 0.142E-01 RMM: 7 -0.309868297775E+03 0.82212E-04 -0.10559E-04 3808 0.316E-02 0.101E-01 RMM: 8 -0.309868229063E+03 0.68712E-04 -0.40937E-05 3173 0.192E-02 0.326E-02 RMM: 9 -0.309868236184E+03 -0.71202E-05 -0.18695E-05 2552 0.124E-02 520 T= 6914. E= 0.68166043E+03 F= 0.62446115E+03 E0= 0.65241868E+03 EK= 0.57199E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310000855085E+03 -0.13263E+00 -0.20287E-01 7632 0.247E+01 0.300E-01 RMM: 2 -0.310016103470E+03 -0.15248E-01 -0.10760E-01 4944 0.804E-01 0.102E+00 RMM: 3 -0.310008868429E+03 0.72350E-02 -0.12405E-02 5611 0.227E-01 0.200E-01 RMM: 4 -0.310009120971E+03 -0.25254E-03 -0.14291E-03 4960 0.916E-02 0.318E-01 RMM: 5 -0.310008580767E+03 0.54020E-03 -0.47498E-04 4446 0.580E-02 0.162E-01 RMM: 6 -0.310008407881E+03 0.17289E-03 -0.16343E-04 3880 0.345E-02 0.492E-02 RMM: 7 -0.310008453827E+03 -0.45946E-04 -0.50469E-05 3273 0.204E-02 0.986E-02 RMM: 8 -0.310008387363E+03 0.66463E-04 -0.26132E-05 2819 0.172E-02 0.217E-02 RMM: 9 -0.310008385986E+03 0.13768E-05 -0.64634E-06 2459 0.720E-03 521 T= 6552. E= 0.67824204E+03 F= 0.62403694E+03 E0= 0.65198174E+03 EK= 0.54205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310131902325E+03 -0.12351E+00 -0.18824E-01 7512 0.240E+01 0.335E-01 RMM: 2 -0.310140984633E+03 -0.90823E-02 -0.85931E-02 5047 0.717E-01 0.704E-01 RMM: 3 -0.310137754105E+03 0.32305E-02 -0.92783E-03 5581 0.195E-01 0.248E-01 RMM: 4 -0.310138343748E+03 -0.58964E-03 -0.15750E-03 4928 0.100E-01 0.414E-01 RMM: 5 -0.310137221061E+03 0.11227E-02 -0.67418E-04 4564 0.692E-02 0.127E-01 RMM: 6 -0.310137151007E+03 0.70054E-04 -0.14651E-04 3879 0.315E-02 0.885E-02 RMM: 7 -0.310137145411E+03 0.55960E-05 -0.64976E-05 3473 0.234E-02 522 T= 6183. E= 0.67476903E+03 F= 0.62362191E+03 E0= 0.65156026E+03 EK= 0.51147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310321063111E+03 -0.18391E+00 -0.17668E-01 7704 0.234E+01 0.332E-01 RMM: 2 -0.310330159410E+03 -0.90963E-02 -0.73550E-02 5096 0.667E-01 0.807E-01 RMM: 3 -0.310325829296E+03 0.43301E-02 -0.79098E-03 5463 0.189E-01 0.247E-01 RMM: 4 -0.310326388898E+03 -0.55960E-03 -0.16198E-03 4887 0.100E-01 0.396E-01 RMM: 5 -0.310325345750E+03 0.10431E-02 -0.64494E-04 4526 0.677E-02 0.120E-01 RMM: 6 -0.310325293784E+03 0.51966E-04 -0.12845E-04 3868 0.296E-02 0.921E-02 RMM: 7 -0.310325288127E+03 0.56565E-05 -0.70284E-05 3503 0.238E-02 523 T= 5933. E= 0.67222511E+03 F= 0.62314639E+03 E0= 0.65108388E+03 EK= 0.49079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310606755805E+03 -0.28146E+00 -0.17184E-01 7680 0.232E+01 0.289E-01 RMM: 2 -0.310614631339E+03 -0.78755E-02 -0.70679E-02 5063 0.641E-01 0.670E-01 RMM: 3 -0.310611637692E+03 0.29936E-02 -0.77657E-03 5528 0.178E-01 0.212E-01 RMM: 4 -0.310612142887E+03 -0.50520E-03 -0.12372E-03 4793 0.885E-02 0.366E-01 RMM: 5 -0.310611294630E+03 0.84826E-03 -0.51018E-04 4468 0.605E-02 0.134E-01 RMM: 6 -0.310611191775E+03 0.10286E-03 -0.15241E-04 3883 0.326E-02 0.698E-02 RMM: 7 -0.310611209933E+03 -0.18158E-04 -0.52005E-05 3323 0.216E-02 524 T= 5871. E= 0.67114045E+03 F= 0.62257542E+03 E0= 0.65051530E+03 EK= 0.48565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310983096494E+03 -0.37190E+00 -0.17249E-01 8196 0.234E+01 0.263E-01 RMM: 2 -0.310990325941E+03 -0.72294E-02 -0.67740E-02 5101 0.624E-01 0.593E-01 RMM: 3 -0.310987952146E+03 0.23738E-02 -0.72718E-03 5591 0.167E-01 0.197E-01 RMM: 4 -0.310988286267E+03 -0.33412E-03 -0.10118E-03 4704 0.811E-02 0.327E-01 RMM: 5 -0.310987585910E+03 0.70036E-03 -0.50763E-04 4492 0.616E-02 0.112E-01 RMM: 6 -0.310987551405E+03 0.34505E-04 -0.15898E-04 3884 0.333E-02 0.932E-02 RMM: 7 -0.310987521603E+03 0.29802E-04 -0.62961E-05 3488 0.254E-02 0.764E-02 RMM: 8 -0.310987483183E+03 0.38419E-04 -0.17135E-05 2573 0.134E-02 0.246E-02 RMM: 9 -0.310987484594E+03 -0.14107E-05 -0.95109E-06 2470 0.882E-03 525 T= 6007. E= 0.67161470E+03 F= 0.62192091E+03 E0= 0.64986639E+03 EK= 0.49694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311394126297E+03 -0.40664E+00 -0.18299E-01 8244 0.239E+01 0.205E-01 RMM: 2 -0.311401806365E+03 -0.76801E-02 -0.76325E-02 4979 0.666E-01 0.474E-01 RMM: 3 -0.311400253205E+03 0.15532E-02 -0.83846E-03 5883 0.167E-01 0.156E-01 RMM: 4 -0.311400278050E+03 -0.24846E-04 -0.74766E-04 4704 0.728E-02 0.235E-01 RMM: 5 -0.311399922444E+03 0.35561E-03 -0.39183E-04 4461 0.559E-02 0.955E-02 RMM: 6 -0.311399943466E+03 -0.21022E-04 -0.16271E-04 3878 0.340E-02 0.113E-01 RMM: 7 -0.311399877728E+03 0.65738E-04 -0.61642E-05 3465 0.256E-02 0.655E-02 RMM: 8 -0.311399849422E+03 0.28305E-04 -0.13321E-05 2534 0.114E-02 0.196E-02 RMM: 9 -0.311399849338E+03 0.84721E-07 -0.61852E-06 2449 0.741E-03 526 T= 6300. E= 0.67335524E+03 F= 0.62124090E+03 E0= 0.64919368E+03 EK= 0.52114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311748167092E+03 -0.34832E+00 -0.19031E-01 8232 0.246E+01 0.213E-01 RMM: 2 -0.311756126665E+03 -0.79596E-02 -0.78757E-02 5106 0.684E-01 0.501E-01 RMM: 3 -0.311754462482E+03 0.16642E-02 -0.84592E-03 5930 0.167E-01 0.158E-01 RMM: 4 -0.311754358327E+03 0.10415E-03 -0.64219E-04 4650 0.675E-02 0.207E-01 RMM: 5 -0.311754070436E+03 0.28789E-03 -0.44050E-04 4509 0.600E-02 0.974E-02 RMM: 6 -0.311754193123E+03 -0.12269E-03 -0.22343E-04 3888 0.394E-02 0.167E-01 RMM: 7 -0.311754017827E+03 0.17530E-03 -0.10320E-04 3760 0.323E-02 0.620E-02 RMM: 8 -0.311753994356E+03 0.23471E-04 -0.16064E-05 2558 0.121E-02 0.303E-02 RMM: 9 -0.311753994240E+03 0.11628E-06 -0.13943E-05 2484 0.110E-02 527 T= 6652. E= 0.67566313E+03 F= 0.62063160E+03 E0= 0.64859232E+03 EK= 0.55032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311926538366E+03 -0.17254E+00 -0.20068E-01 8112 0.252E+01 0.198E-01 RMM: 2 -0.311937199691E+03 -0.10661E-01 -0.96165E-02 5022 0.756E-01 0.625E-01 RMM: 3 -0.311934611160E+03 0.25885E-02 -0.10702E-02 5918 0.187E-01 0.165E-01 RMM: 4 -0.311934343560E+03 0.26760E-03 -0.64587E-04 4630 0.662E-02 0.155E-01 RMM: 5 -0.311934167530E+03 0.17603E-03 -0.34089E-04 4439 0.542E-02 0.942E-02 RMM: 6 -0.311934292737E+03 -0.12521E-03 -0.20965E-04 3884 0.383E-02 0.166E-01 RMM: 7 -0.311934137296E+03 0.15544E-03 -0.90297E-05 3631 0.293E-02 0.804E-02 RMM: 8 -0.311934094057E+03 0.43239E-04 -0.25014E-05 2790 0.152E-02 0.265E-02 RMM: 9 -0.311934094739E+03 -0.68182E-06 -0.13751E-05 2478 0.110E-02 528 T= 6929. E= 0.67752838E+03 F= 0.62020831E+03 E0= 0.64817595E+03 EK= 0.57320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311832850159E+03 0.10124E+00 -0.20190E-01 8172 0.255E+01 0.199E-01 RMM: 2 -0.311842611783E+03 -0.97616E-02 -0.91178E-02 5065 0.730E-01 0.563E-01 RMM: 3 -0.311840381900E+03 0.22299E-02 -0.98389E-03 5939 0.178E-01 0.152E-01 RMM: 4 -0.311840195495E+03 0.18640E-03 -0.66710E-04 4671 0.690E-02 0.177E-01 RMM: 5 -0.311839985845E+03 0.20965E-03 -0.34522E-04 4386 0.531E-02 0.963E-02 RMM: 6 -0.311840102605E+03 -0.11676E-03 -0.21327E-04 3891 0.384E-02 0.164E-01 RMM: 7 -0.311839943441E+03 0.15916E-03 -0.96106E-05 3672 0.303E-02 0.700E-02 RMM: 8 -0.311839911497E+03 0.31944E-04 -0.18665E-05 2572 0.131E-02 0.271E-02 RMM: 9 -0.311839911692E+03 -0.19540E-06 -0.13342E-05 2477 0.108E-02 529 T= 7006. E= 0.67802741E+03 F= 0.62006885E+03 E0= 0.64804128E+03 EK= 0.57959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311413560269E+03 0.42635E+00 -0.19822E-01 7956 0.254E+01 0.205E-01 RMM: 2 -0.311423972761E+03 -0.10412E-01 -0.97362E-02 4930 0.748E-01 0.573E-01 RMM: 3 -0.311421619340E+03 0.23534E-02 -0.11014E-02 5967 0.189E-01 0.145E-01 RMM: 4 -0.311421538597E+03 0.80743E-04 -0.78110E-04 4752 0.742E-02 0.214E-01 RMM: 5 -0.311421235637E+03 0.30296E-03 -0.33101E-04 4254 0.513E-02 0.893E-02 RMM: 6 -0.311421313113E+03 -0.77476E-04 -0.16281E-04 3881 0.340E-02 0.141E-01 RMM: 7 -0.311421203477E+03 0.10964E-03 -0.69421E-05 3513 0.261E-02 0.709E-02 RMM: 8 -0.311421169997E+03 0.33480E-04 -0.19788E-05 2619 0.137E-02 0.234E-02 RMM: 9 -0.311421170947E+03 -0.94929E-06 -0.10964E-05 2470 0.976E-03 530 T= 6845. E= 0.67688467E+03 F= 0.62026033E+03 E0= 0.64823438E+03 EK= 0.56624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310684408410E+03 0.73676E+00 -0.19271E-01 7728 0.249E+01 0.226E-01 RMM: 2 -0.310695803580E+03 -0.11395E-01 -0.10875E-01 4934 0.772E-01 0.565E-01 RMM: 3 -0.310693286838E+03 0.25167E-02 -0.12048E-02 6027 0.192E-01 0.148E-01 RMM: 4 -0.310693384878E+03 -0.98039E-04 -0.96135E-04 4824 0.810E-02 0.271E-01 RMM: 5 -0.310692892235E+03 0.49264E-03 -0.34652E-04 4147 0.509E-02 0.833E-02 RMM: 6 -0.310692916545E+03 -0.24311E-04 -0.12521E-04 3811 0.303E-02 0.106E-01 RMM: 7 -0.310692869334E+03 0.47212E-04 -0.47835E-05 3242 0.216E-02 0.730E-02 RMM: 8 -0.310692833588E+03 0.35746E-04 -0.18396E-05 2577 0.137E-02 0.206E-02 RMM: 9 -0.310692835111E+03 -0.15231E-05 -0.84928E-06 2465 0.837E-03 531 T= 6517. E= 0.67467586E+03 F= 0.62076519E+03 E0= 0.64873777E+03 EK= 0.53911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309710399114E+03 0.98243E+00 -0.18725E-01 7848 0.242E+01 0.242E-01 RMM: 2 -0.309721357622E+03 -0.10959E-01 -0.10566E-01 4809 0.768E-01 0.570E-01 RMM: 3 -0.309718906275E+03 0.24513E-02 -0.12170E-02 5939 0.202E-01 0.168E-01 RMM: 4 -0.309719098983E+03 -0.19271E-03 -0.10089E-03 4872 0.812E-02 0.299E-01 RMM: 5 -0.309718502389E+03 0.59659E-03 -0.34897E-04 4135 0.501E-02 0.897E-02 RMM: 6 -0.309718476316E+03 0.26074E-04 -0.90924E-05 3618 0.263E-02 0.725E-02 RMM: 7 -0.309718478706E+03 -0.23906E-05 -0.43240E-05 3119 0.200E-02 532 T= 6156. E= 0.67244665E+03 F= 0.62151896E+03 E0= 0.64948721E+03 EK= 0.50928E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308571367314E+03 0.11471E+01 -0.17581E-01 8016 0.236E+01 0.267E-01 RMM: 2 -0.308580234996E+03 -0.88677E-02 -0.85744E-02 4976 0.703E-01 0.586E-01 RMM: 3 -0.308577869596E+03 0.23654E-02 -0.97402E-03 5809 0.188E-01 0.187E-01 RMM: 4 -0.308578240364E+03 -0.37077E-03 -0.95497E-04 4739 0.763E-02 0.341E-01 RMM: 5 -0.308577439730E+03 0.80063E-03 -0.39422E-04 4203 0.523E-02 0.752E-02 RMM: 6 -0.308577452879E+03 -0.13149E-04 -0.95190E-05 3662 0.265E-02 533 T= 5889. E= 0.67115979E+03 F= 0.62244349E+03 E0= 0.65040699E+03 EK= 0.48716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307331417472E+03 0.12460E+01 -0.16826E-01 7968 0.232E+01 0.315E-01 RMM: 2 -0.307349246570E+03 -0.17829E-01 -0.85027E-02 4919 0.707E-01 0.129E+00 RMM: 3 -0.307337623300E+03 0.11623E-01 -0.11847E-02 5403 0.248E-01 0.250E-01 RMM: 4 -0.307337469509E+03 0.15379E-03 -0.14694E-03 4845 0.850E-02 0.225E-01 RMM: 5 -0.307337271555E+03 0.19795E-03 -0.34695E-04 4021 0.470E-02 0.165E-01 RMM: 6 -0.307337096570E+03 0.17498E-03 -0.12922E-04 3835 0.323E-02 0.576E-02 RMM: 7 -0.307337114501E+03 -0.17931E-04 -0.56071E-05 3296 0.209E-02 534 T= 5794. E= 0.67141036E+03 F= 0.62347435E+03 E0= 0.65143136E+03 EK= 0.47936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306033462557E+03 0.13036E+01 -0.16572E-01 8172 0.232E+01 0.305E-01 RMM: 2 -0.306051735529E+03 -0.18273E-01 -0.76950E-02 4998 0.682E-01 0.136E+00 RMM: 3 -0.306039071531E+03 0.12664E-01 -0.10916E-02 5379 0.244E-01 0.292E-01 RMM: 4 -0.306038597703E+03 0.47383E-03 -0.14486E-03 4803 0.850E-02 0.167E-01 RMM: 5 -0.306038621432E+03 -0.23729E-04 -0.32929E-04 4056 0.470E-02 0.189E-01 RMM: 6 -0.306038377212E+03 0.24422E-03 -0.13906E-04 3864 0.338E-02 0.492E-02 RMM: 7 -0.306038401860E+03 -0.24648E-04 -0.58595E-05 3339 0.209E-02 0.817E-02 RMM: 8 -0.306038360379E+03 0.41481E-04 -0.29371E-05 2863 0.185E-02 0.350E-02 RMM: 9 -0.306038352592E+03 0.77874E-05 -0.83969E-06 2472 0.903E-03 535 T= 5903. E= 0.67340457E+03 F= 0.62457421E+03 E0= 0.65252585E+03 EK= 0.48830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304687480304E+03 0.13509E+01 -0.17134E-01 8232 0.235E+01 0.230E-01 RMM: 2 -0.304700098294E+03 -0.12618E-01 -0.72849E-02 5012 0.650E-01 0.998E-01 RMM: 3 -0.304693080631E+03 0.70177E-02 -0.83547E-03 5479 0.192E-01 0.160E-01 RMM: 4 -0.304693082119E+03 -0.14879E-05 -0.86319E-04 4661 0.679E-02 0.193E-01 RMM: 5 -0.304692903123E+03 0.17900E-03 -0.24642E-04 3907 0.423E-02 0.124E-01 RMM: 6 -0.304692807095E+03 0.96028E-04 -0.10097E-04 3703 0.288E-02 0.498E-02 RMM: 7 -0.304692838004E+03 -0.30909E-04 -0.43338E-05 3126 0.191E-02 0.859E-02 RMM: 8 -0.304692786278E+03 0.51726E-04 -0.26636E-05 2735 0.177E-02 0.235E-02 RMM: 9 -0.304692783613E+03 0.26656E-05 -0.59266E-06 2459 0.713E-03 536 T= 6194. E= 0.67697536E+03 F= 0.62573436E+03 E0= 0.65368140E+03 EK= 0.51241E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303282798119E+03 0.14100E+01 -0.18052E-01 8364 0.242E+01 0.192E-01 RMM: 2 -0.303293125833E+03 -0.10328E-01 -0.78066E-02 5000 0.684E-01 0.757E-01 RMM: 3 -0.303289138088E+03 0.39877E-02 -0.87635E-03 5721 0.181E-01 0.145E-01 RMM: 4 -0.303289008302E+03 0.12979E-03 -0.62125E-04 4628 0.602E-02 0.145E-01 RMM: 5 -0.303288882610E+03 0.12569E-03 -0.19771E-04 3895 0.393E-02 0.915E-02 RMM: 6 -0.303288858877E+03 0.23733E-04 -0.84545E-05 3606 0.259E-02 0.751E-02 RMM: 7 -0.303288865046E+03 -0.61693E-05 -0.45496E-05 3148 0.206E-02 537 T= 6594. E= 0.68151645E+03 F= 0.62696769E+03 E0= 0.65491126E+03 EK= 0.54549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301800913637E+03 0.14879E+01 -0.19151E-01 8340 0.249E+01 0.204E-01 RMM: 2 -0.301811667888E+03 -0.10754E-01 -0.87120E-02 4988 0.734E-01 0.734E-01 RMM: 3 -0.301808059939E+03 0.36079E-02 -0.10040E-02 5753 0.198E-01 0.163E-01 RMM: 4 -0.301807863623E+03 0.19632E-03 -0.62242E-04 4687 0.572E-02 0.137E-01 RMM: 5 -0.301807735830E+03 0.12779E-03 -0.21865E-04 3921 0.429E-02 0.880E-02 RMM: 6 -0.301807744871E+03 -0.90404E-05 -0.11205E-04 3787 0.287E-02 538 T= 6969. E= 0.68594782E+03 F= 0.62829244E+03 E0= 0.65623519E+03 EK= 0.57655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300240230426E+03 0.15675E+01 -0.20485E-01 8004 0.254E+01 0.303E-01 RMM: 2 -0.300267969816E+03 -0.27739E-01 -0.11779E-01 4838 0.859E-01 0.159E+00 RMM: 3 -0.300249851547E+03 0.18118E-01 -0.16147E-02 5392 0.291E-01 0.285E-01 RMM: 4 -0.300249276333E+03 0.57521E-03 -0.15920E-03 4941 0.820E-02 0.113E-01 RMM: 5 -0.300249260377E+03 0.15956E-04 -0.26952E-04 3942 0.425E-02 0.128E-01 RMM: 6 -0.300249168272E+03 0.92105E-04 -0.11909E-04 3847 0.306E-02 0.721E-02 RMM: 7 -0.300249196961E+03 -0.28690E-04 -0.91915E-05 3718 0.266E-02 0.992E-02 RMM: 8 -0.300249129688E+03 0.67273E-04 -0.41485E-05 3120 0.208E-02 0.369E-02 RMM: 9 -0.300249122927E+03 0.67619E-05 -0.99465E-06 2497 0.944E-03 539 T= 7167. E= 0.68899761E+03 F= 0.62970685E+03 E0= 0.65764888E+03 EK= 0.59291E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298645112115E+03 0.16040E+01 -0.20821E-01 7740 0.255E+01 0.327E-01 RMM: 2 -0.298674559022E+03 -0.29447E-01 -0.13082E-01 4783 0.910E-01 0.163E+00 RMM: 3 -0.298655726248E+03 0.18833E-01 -0.17891E-02 5385 0.311E-01 0.354E-01 RMM: 4 -0.298654806761E+03 0.91949E-03 -0.19379E-03 5157 0.934E-02 0.101E-01 RMM: 5 -0.298654878920E+03 -0.72159E-04 -0.31656E-04 3923 0.435E-02 0.155E-01 RMM: 6 -0.298654717562E+03 0.16136E-03 -0.10546E-04 3789 0.290E-02 0.475E-02 RMM: 7 -0.298654729394E+03 -0.11832E-04 -0.47229E-05 3181 0.191E-02 540 T= 7097. E= 0.68987433E+03 F= 0.63116645E+03 E0= 0.65911159E+03 EK= 0.58708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297104014737E+03 0.15507E+01 -0.20073E-01 7704 0.251E+01 0.248E-01 RMM: 2 -0.297122045211E+03 -0.18030E-01 -0.11961E-01 4969 0.832E-01 0.107E+00 RMM: 3 -0.297113881772E+03 0.81634E-02 -0.13812E-02 5592 0.240E-01 0.199E-01 RMM: 4 -0.297113631615E+03 0.25016E-03 -0.10814E-03 4759 0.739E-02 0.157E-01 RMM: 5 -0.297113538254E+03 0.93361E-04 -0.21998E-04 3918 0.381E-02 0.130E-01 RMM: 6 -0.297113435311E+03 0.10294E-03 -0.89351E-05 3628 0.268E-02 0.552E-02 RMM: 7 -0.297113477821E+03 -0.42510E-04 -0.68687E-05 3486 0.225E-02 0.100E-01 RMM: 8 -0.297113411457E+03 0.66364E-04 -0.41836E-05 3084 0.207E-02 0.373E-02 RMM: 9 -0.297113403201E+03 0.82561E-05 -0.11984E-05 2487 0.105E-02 541 T= 6796. E= 0.68879979E+03 F= 0.63258000E+03 E0= 0.66053139E+03 EK= 0.56220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.295736146891E+03 0.13773E+01 -0.19558E-01 7668 0.244E+01 0.219E-01 RMM: 2 -0.295752058823E+03 -0.15912E-01 -0.13259E-01 4833 0.881E-01 0.799E-01 RMM: 3 -0.295747455756E+03 0.46031E-02 -0.15599E-02 5930 0.232E-01 0.161E-01 RMM: 4 -0.295747296683E+03 0.15907E-03 -0.99799E-04 4871 0.780E-02 0.203E-01 RMM: 5 -0.295747065123E+03 0.23156E-03 -0.21160E-04 3887 0.385E-02 0.104E-01 RMM: 6 -0.295746993439E+03 0.71684E-04 -0.61746E-05 3361 0.231E-02 0.379E-02 RMM: 7 -0.295747006008E+03 -0.12569E-04 -0.27493E-05 2641 0.157E-02 542 T= 6406. E= 0.68681643E+03 F= 0.63382429E+03 E0= 0.66178664E+03 EK= 0.52992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.294672371189E+03 0.10746E+01 -0.18525E-01 7440 0.237E+01 0.233E-01 RMM: 2 -0.294687492830E+03 -0.15122E-01 -0.12878E-01 4948 0.872E-01 0.774E-01 RMM: 3 -0.294683262989E+03 0.42298E-02 -0.15202E-02 5911 0.231E-01 0.179E-01 RMM: 4 -0.294683044314E+03 0.21867E-03 -0.95975E-04 4785 0.740E-02 0.192E-01 RMM: 5 -0.294682807048E+03 0.23727E-03 -0.19251E-04 3895 0.351E-02 0.875E-02 RMM: 6 -0.294682764723E+03 0.42325E-04 -0.47385E-05 3179 0.202E-02 0.473E-02 RMM: 7 -0.294682784031E+03 -0.19308E-04 -0.47475E-05 3193 0.191E-02 543 T= 6084. E= 0.68510211E+03 F= 0.63477207E+03 E0= 0.66275164E+03 EK= 0.50330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.294022819506E+03 0.65995E+00 -0.17505E-01 7764 0.233E+01 0.212E-01 RMM: 2 -0.294035885698E+03 -0.13066E-01 -0.10816E-01 4971 0.801E-01 0.738E-01 RMM: 3 -0.294032025088E+03 0.38606E-02 -0.12518E-02 5939 0.205E-01 0.156E-01 RMM: 4 -0.294031916428E+03 0.10866E-03 -0.84021E-04 4744 0.730E-02 0.200E-01 RMM: 5 -0.294031656233E+03 0.26019E-03 -0.18359E-04 3879 0.353E-02 0.808E-02 RMM: 6 -0.294031619042E+03 0.37191E-04 -0.44722E-05 3152 0.200E-02 0.401E-02 RMM: 7 -0.294031633117E+03 -0.14076E-04 -0.28540E-05 2613 0.157E-02 544 T= 5941. E= 0.68446050E+03 F= 0.63531354E+03 E0= 0.66331557E+03 EK= 0.49147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.293868840158E+03 0.16278E+00 -0.17129E-01 7680 0.232E+01 0.207E-01 RMM: 2 -0.293881641296E+03 -0.12801E-01 -0.10567E-01 5003 0.793E-01 0.743E-01 RMM: 3 -0.293877852399E+03 0.37889E-02 -0.12214E-02 5883 0.207E-01 0.158E-01 RMM: 4 -0.293877642863E+03 0.20954E-03 -0.72522E-04 4682 0.643E-02 0.157E-01 RMM: 5 -0.293877497288E+03 0.14558E-03 -0.15311E-04 3879 0.325E-02 0.885E-02 RMM: 6 -0.293877452599E+03 0.44689E-04 -0.56420E-05 3288 0.222E-02 0.448E-02 RMM: 7 -0.293877470048E+03 -0.17449E-04 -0.40841E-05 3008 0.186E-02 545 T= 6024. E= 0.68520286E+03 F= 0.63536631E+03 E0= 0.66339767E+03 EK= 0.49837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.294259981798E+03 -0.38253E+00 -0.17401E-01 7548 0.235E+01 0.206E-01 RMM: 2 -0.294274240209E+03 -0.14258E-01 -0.11076E-01 4975 0.820E-01 0.823E-01 RMM: 3 -0.294269553220E+03 0.46870E-02 -0.12952E-02 5866 0.214E-01 0.186E-01 RMM: 4 -0.294269201243E+03 0.35198E-03 -0.77426E-04 4681 0.668E-02 0.121E-01 RMM: 5 -0.294269110617E+03 0.90626E-04 -0.14327E-04 3872 0.315E-02 0.792E-02 RMM: 6 -0.294269080845E+03 0.29772E-04 -0.51042E-05 3231 0.210E-02 0.491E-02 RMM: 7 -0.294269098041E+03 -0.17196E-04 -0.35159E-05 2831 0.178E-02 546 T= 6320. E= 0.68716237E+03 F= 0.63488274E+03 E0= 0.66294629E+03 EK= 0.52280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.295195704847E+03 -0.92662E+00 -0.18928E-01 7632 0.242E+01 0.198E-01 RMM: 2 -0.295211830051E+03 -0.16125E-01 -0.13436E-01 4939 0.905E-01 0.793E-01 RMM: 3 -0.295207599479E+03 0.42306E-02 -0.15833E-02 5951 0.228E-01 0.178E-01 RMM: 4 -0.295207166797E+03 0.43268E-03 -0.79166E-04 4798 0.673E-02 0.113E-01 RMM: 5 -0.295207092102E+03 0.74695E-04 -0.14747E-04 3898 0.335E-02 0.853E-02 RMM: 6 -0.295207055589E+03 0.36513E-04 -0.57149E-05 3282 0.221E-02 0.542E-02 RMM: 7 -0.295207062303E+03 -0.67140E-05 -0.51792E-05 3237 0.211E-02 547 T= 6743. E= 0.68964457E+03 F= 0.63386261E+03 E0= 0.66196023E+03 EK= 0.55782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296614730190E+03 -0.14077E+01 -0.20976E-01 7608 0.249E+01 0.209E-01 RMM: 2 -0.296633907770E+03 -0.19178E-01 -0.15412E-01 4892 0.982E-01 0.891E-01 RMM: 3 -0.296628399061E+03 0.55087E-02 -0.18139E-02 5928 0.252E-01 0.197E-01 RMM: 4 -0.296627882229E+03 0.51683E-03 -0.90910E-04 4821 0.720E-02 0.112E-01 RMM: 5 -0.296627794446E+03 0.87784E-04 -0.15803E-04 3923 0.349E-02 0.764E-02 RMM: 6 -0.296627774177E+03 0.20269E-04 -0.53089E-05 3239 0.212E-02 0.642E-02 RMM: 7 -0.296627770537E+03 0.36399E-05 -0.54935E-05 3331 0.216E-02 548 T= 7139. E= 0.69142353E+03 F= 0.63236885E+03 E0= 0.66049567E+03 EK= 0.59055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298384473806E+03 -0.17567E+01 -0.21020E-01 7860 0.254E+01 0.188E-01 RMM: 2 -0.298400138390E+03 -0.15665E-01 -0.13714E-01 4900 0.929E-01 0.734E-01 RMM: 3 -0.298396675454E+03 0.34629E-02 -0.16325E-02 5954 0.240E-01 0.160E-01 RMM: 4 -0.298396295513E+03 0.37994E-03 -0.72315E-04 4801 0.644E-02 0.125E-01 RMM: 5 -0.298396190344E+03 0.10517E-03 -0.13672E-04 3909 0.347E-02 0.771E-02 RMM: 6 -0.298396170113E+03 0.20230E-04 -0.50359E-05 3162 0.207E-02 0.669E-02 RMM: 7 -0.298396149280E+03 0.20833E-04 -0.64450E-05 3598 0.232E-02 0.653E-02 RMM: 8 -0.298396119707E+03 0.29573E-04 -0.24062E-05 2593 0.149E-02 0.283E-02 RMM: 9 -0.298396118887E+03 0.82049E-06 -0.12443E-05 2468 0.101E-02 549 T= 7325. E= 0.69113013E+03 F= 0.63053527E+03 E0= 0.65868446E+03 EK= 0.60595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300315634291E+03 -0.19195E+01 -0.21435E-01 7824 0.255E+01 0.180E-01 RMM: 2 -0.300330935723E+03 -0.15301E-01 -0.14332E-01 4788 0.937E-01 0.608E-01 RMM: 3 -0.300328365044E+03 0.25707E-02 -0.17116E-02 6002 0.243E-01 0.128E-01 RMM: 4 -0.300328098887E+03 0.26616E-03 -0.75499E-04 4746 0.705E-02 0.160E-01 RMM: 5 -0.300327927750E+03 0.17114E-03 -0.15586E-04 3953 0.377E-02 0.655E-02 RMM: 6 -0.300327911286E+03 0.16464E-04 -0.47420E-05 3090 0.205E-02 550 T= 7198. E= 0.68809112E+03 F= 0.62854473E+03 E0= 0.65670404E+03 EK= 0.59546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302227023078E+03 -0.18991E+01 -0.20563E-01 7896 0.251E+01 0.201E-01 RMM: 2 -0.302244603192E+03 -0.17580E-01 -0.12246E-01 4785 0.862E-01 0.981E-01 RMM: 3 -0.302237888395E+03 0.67148E-02 -0.15485E-02 5663 0.257E-01 0.212E-01 RMM: 4 -0.302237476548E+03 0.41185E-03 -0.87338E-04 4736 0.661E-02 0.913E-02 RMM: 5 -0.302237430811E+03 0.45737E-04 -0.13365E-04 3950 0.336E-02 0.820E-02 RMM: 6 -0.302237401902E+03 0.28910E-04 -0.43470E-05 2974 0.193E-02 0.685E-02 RMM: 7 -0.302237435278E+03 -0.33376E-04 -0.92830E-05 3848 0.258E-02 0.106E-01 RMM: 8 -0.302237359952E+03 0.75326E-04 -0.53979E-05 3310 0.212E-02 0.396E-02 RMM: 9 -0.302237353360E+03 0.65921E-05 -0.16023E-05 2514 0.118E-02 551 T= 6808. E= 0.68290349E+03 F= 0.62658206E+03 E0= 0.65474145E+03 EK= 0.56321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303974611638E+03 -0.17373E+01 -0.19216E-01 7980 0.244E+01 0.206E-01 RMM: 2 -0.303992797740E+03 -0.18186E-01 -0.11644E-01 4691 0.848E-01 0.107E+00 RMM: 3 -0.303984482679E+03 0.83151E-02 -0.14415E-02 5644 0.253E-01 0.151E-01 RMM: 4 -0.303984323113E+03 0.15957E-03 -0.93619E-04 4790 0.704E-02 0.145E-01 RMM: 5 -0.303984223255E+03 0.99859E-04 -0.15822E-04 3902 0.343E-02 0.940E-02 RMM: 6 -0.303984164586E+03 0.58669E-04 -0.52726E-05 3212 0.218E-02 0.333E-02 RMM: 7 -0.303984169176E+03 -0.45904E-05 -0.21045E-05 2541 0.148E-02 552 T= 6317. E= 0.67705004E+03 F= 0.62478749E+03 E0= 0.65293720E+03 EK= 0.52263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305476911598E+03 -0.14927E+01 -0.17712E-01 8076 0.237E+01 0.166E-01 RMM: 2 -0.305489186273E+03 -0.12275E-01 -0.10331E-01 4766 0.788E-01 0.673E-01 RMM: 3 -0.305485922404E+03 0.32639E-02 -0.12997E-02 5915 0.224E-01 0.149E-01 RMM: 4 -0.305485635076E+03 0.28733E-03 -0.57041E-04 4734 0.561E-02 0.881E-02 RMM: 5 -0.305485582294E+03 0.52782E-04 -0.82588E-05 3614 0.270E-02 0.647E-02 RMM: 6 -0.305485568213E+03 0.14080E-04 -0.28320E-05 2572 0.160E-02 553 T= 5894. E= 0.67200399E+03 F= 0.62324456E+03 E0= 0.65137879E+03 EK= 0.48759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306693887500E+03 -0.12083E+01 -0.16485E-01 8040 0.232E+01 0.257E-01 RMM: 2 -0.306714114586E+03 -0.20227E-01 -0.96858E-02 4837 0.747E-01 0.132E+00 RMM: 3 -0.306701651659E+03 0.12463E-01 -0.13263E-02 5437 0.262E-01 0.205E-01 RMM: 4 -0.306701345658E+03 0.30600E-03 -0.11735E-03 4929 0.667E-02 0.910E-02 RMM: 5 -0.306701312244E+03 0.33414E-04 -0.11928E-04 3809 0.295E-02 0.841E-02 RMM: 6 -0.306701268388E+03 0.43856E-04 -0.30908E-05 2780 0.171E-02 0.386E-02 RMM: 7 -0.306701276808E+03 -0.84204E-05 -0.21322E-05 2541 0.144E-02 554 T= 5646. E= 0.66869887E+03 F= 0.62199488E+03 E0= 0.65010981E+03 EK= 0.46704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307600349787E+03 -0.89908E+00 -0.16298E-01 8148 0.231E+01 0.269E-01 RMM: 2 -0.307622570360E+03 -0.22221E-01 -0.10678E-01 4823 0.783E-01 0.140E+00 RMM: 3 -0.307609154994E+03 0.13415E-01 -0.14144E-02 5471 0.266E-01 0.292E-01 RMM: 4 -0.307608480950E+03 0.67404E-03 -0.13563E-03 4805 0.780E-02 0.913E-02 RMM: 5 -0.307608481068E+03 -0.11802E-06 -0.19078E-04 3879 0.352E-02 555 T= 5617. E= 0.66752784E+03 F= 0.62106260E+03 E0= 0.64915691E+03 EK= 0.46465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308175931138E+03 -0.56745E+00 -0.16361E-01 8016 0.234E+01 0.182E-01 RMM: 2 -0.308190292243E+03 -0.14361E-01 -0.99648E-02 4948 0.727E-01 0.910E-01 RMM: 3 -0.308184343198E+03 0.59490E-02 -0.11571E-02 5768 0.214E-01 0.156E-01 RMM: 4 -0.308184076891E+03 0.26631E-03 -0.66714E-04 5131 0.514E-02 0.915E-02 RMM: 5 -0.308184002234E+03 0.74657E-04 -0.75093E-05 3498 0.250E-02 0.728E-02 RMM: 6 -0.308183980645E+03 0.21589E-04 -0.49371E-05 3147 0.202E-02 0.701E-02 RMM: 7 -0.308183991038E+03 -0.10393E-04 -0.15630E-04 3898 0.267E-02 556 T= 5805. E= 0.66849876E+03 F= 0.62047168E+03 E0= 0.64854309E+03 EK= 0.48027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308392929453E+03 -0.20895E+00 -0.17249E-01 8016 0.240E+01 0.218E-01 RMM: 2 -0.308406713733E+03 -0.13784E-01 -0.11197E-01 4784 0.789E-01 0.800E-01 RMM: 3 -0.308402123842E+03 0.45899E-02 -0.13505E-02 5904 0.219E-01 0.176E-01 RMM: 4 -0.308401896630E+03 0.22721E-03 -0.89071E-04 4716 0.707E-02 0.180E-01 RMM: 5 -0.308401709310E+03 0.18732E-03 -0.17817E-04 3867 0.355E-02 0.847E-02 RMM: 6 -0.308401663580E+03 0.45730E-04 -0.35658E-05 2998 0.183E-02 0.246E-02 RMM: 7 -0.308401666904E+03 -0.33236E-05 -0.15299E-05 2497 0.123E-02 557 T= 6168. E= 0.67127490E+03 F= 0.62024833E+03 E0= 0.64829677E+03 EK= 0.51027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308234150359E+03 0.16751E+00 -0.18089E-01 7800 0.247E+01 0.155E-01 RMM: 2 -0.308248433122E+03 -0.14283E-01 -0.12792E-01 4881 0.836E-01 0.633E-01 RMM: 3 -0.308245607036E+03 0.28261E-02 -0.15343E-02 6144 0.212E-01 0.129E-01 RMM: 4 -0.308245224953E+03 0.38208E-03 -0.60538E-04 4562 0.613E-02 0.110E-01 RMM: 5 -0.308245133021E+03 0.91931E-04 -0.86393E-05 3542 0.274E-02 0.655E-02 RMM: 6 -0.308245118803E+03 0.14219E-04 -0.30730E-05 2650 0.162E-02 558 T= 6609. E= 0.67508435E+03 F= 0.62040836E+03 E0= 0.64843302E+03 EK= 0.54676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307723061233E+03 0.52207E+00 -0.19959E-01 7692 0.254E+01 0.274E-01 RMM: 2 -0.307752140051E+03 -0.29079E-01 -0.15834E-01 4774 0.947E-01 0.148E+00 RMM: 3 -0.307736568223E+03 0.15572E-01 -0.20040E-02 5587 0.292E-01 0.271E-01 RMM: 4 -0.307735889550E+03 0.67867E-03 -0.15313E-03 5011 0.803E-02 0.859E-02 RMM: 5 -0.307735877809E+03 0.11741E-04 -0.19041E-04 3995 0.319E-02 559 T= 6985. E= 0.67871240E+03 F= 0.62092946E+03 E0= 0.64893072E+03 EK= 0.57783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306942818626E+03 0.79307E+00 -0.19786E-01 7668 0.258E+01 0.252E-01 RMM: 2 -0.306968245394E+03 -0.25427E-01 -0.13171E-01 4949 0.870E-01 0.141E+00 RMM: 3 -0.306954021734E+03 0.14224E-01 -0.16029E-02 5568 0.263E-01 0.219E-01 RMM: 4 -0.306953611757E+03 0.40998E-03 -0.12482E-03 4817 0.747E-02 0.120E-01 RMM: 5 -0.306953539544E+03 0.72213E-04 -0.16168E-04 4181 0.294E-02 0.988E-02 RMM: 6 -0.306953494928E+03 0.44616E-04 -0.38494E-05 2949 0.183E-02 0.743E-02 RMM: 7 -0.306953537154E+03 -0.42226E-04 -0.15493E-04 3906 0.301E-02 0.124E-01 RMM: 8 -0.306953439344E+03 0.97810E-04 -0.11425E-04 3889 0.279E-02 0.362E-02 RMM: 9 -0.306953436467E+03 0.28762E-05 -0.17682E-05 2546 0.125E-02 560 T= 7149. E= 0.68087291E+03 F= 0.62173164E+03 E0= 0.64971136E+03 EK= 0.59141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306012060378E+03 0.94138E+00 -0.20716E-01 7632 0.257E+01 0.263E-01 RMM: 2 -0.306033595743E+03 -0.21535E-01 -0.15597E-01 4833 0.937E-01 0.108E+00 RMM: 3 -0.306025324691E+03 0.82711E-02 -0.18501E-02 5820 0.250E-01 0.207E-01 RMM: 4 -0.306025018465E+03 0.30623E-03 -0.13328E-03 4960 0.858E-02 0.203E-01 RMM: 5 -0.306024777603E+03 0.24086E-03 -0.23514E-04 3892 0.374E-02 0.938E-02 RMM: 6 -0.306024723234E+03 0.54369E-04 -0.60788E-05 3362 0.228E-02 0.298E-02 RMM: 7 -0.306024745106E+03 -0.21873E-04 -0.24549E-05 2593 0.145E-02 0.621E-02 RMM: 8 -0.306024724522E+03 0.20585E-04 -0.18061E-05 2516 0.144E-02 0.214E-02 RMM: 9 -0.306024722918E+03 0.16041E-05 -0.53962E-06 2448 0.700E-03 561 T= 7038. E= 0.68091029E+03 F= 0.62268800E+03 E0= 0.65064851E+03 EK= 0.58222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305071167869E+03 0.95356E+00 -0.18436E-01 7668 0.251E+01 0.152E-01 RMM: 2 -0.305082799182E+03 -0.11631E-01 -0.10298E-01 4874 0.779E-01 0.595E-01 RMM: 3 -0.305080249824E+03 0.25494E-02 -0.12069E-02 5944 0.200E-01 0.140E-01 RMM: 4 -0.305079956421E+03 0.29340E-03 -0.51395E-04 4607 0.542E-02 0.841E-02 RMM: 5 -0.305079910101E+03 0.46319E-04 -0.84061E-05 3559 0.279E-02 0.623E-02 RMM: 6 -0.305079896125E+03 0.13976E-04 -0.34990E-05 2871 0.178E-02 562 T= 6714. E= 0.67921462E+03 F= 0.62366890E+03 E0= 0.65161383E+03 EK= 0.55546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304199802961E+03 0.88011E+00 -0.17538E-01 7920 0.244E+01 0.240E-01 RMM: 2 -0.304220346510E+03 -0.20544E-01 -0.98761E-02 4911 0.756E-01 0.132E+00 RMM: 3 -0.304208146585E+03 0.12200E-01 -0.12752E-02 5449 0.248E-01 0.245E-01 RMM: 4 -0.304207703786E+03 0.44280E-03 -0.11491E-03 4721 0.712E-02 0.872E-02 RMM: 5 -0.304207690957E+03 0.12828E-04 -0.15900E-04 3911 0.330E-02 563 T= 6323. E= 0.67689165E+03 F= 0.62458637E+03 E0= 0.65251941E+03 EK= 0.52305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303434633094E+03 0.77307E+00 -0.17159E-01 8436 0.238E+01 0.264E-01 RMM: 2 -0.303457314744E+03 -0.22682E-01 -0.96595E-02 4986 0.740E-01 0.143E+00 RMM: 3 -0.303442729160E+03 0.14586E-01 -0.12402E-02 5419 0.252E-01 0.279E-01 RMM: 4 -0.303442202400E+03 0.52676E-03 -0.13225E-03 4777 0.758E-02 0.105E-01 RMM: 5 -0.303442163703E+03 0.38697E-04 -0.16965E-04 3972 0.317E-02 0.102E-01 RMM: 6 -0.303442118570E+03 0.45133E-04 -0.62482E-05 3344 0.231E-02 0.677E-02 RMM: 7 -0.303442192188E+03 -0.73618E-04 -0.86743E-05 3763 0.239E-02 0.123E-01 RMM: 8 -0.303442104717E+03 0.87471E-04 -0.79086E-05 3799 0.240E-02 0.443E-02 RMM: 9 -0.303442094968E+03 0.97495E-05 -0.15731E-05 2518 0.120E-02 564 T= 6005. E= 0.67508200E+03 F= 0.62540700E+03 E0= 0.65333164E+03 EK= 0.49675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302766806388E+03 0.67530E+00 -0.17727E-01 8292 0.234E+01 0.255E-01 RMM: 2 -0.302785719213E+03 -0.18913E-01 -0.12011E-01 4808 0.829E-01 0.112E+00 RMM: 3 -0.302776852364E+03 0.88668E-02 -0.14953E-02 5691 0.249E-01 0.225E-01 RMM: 4 -0.302776508943E+03 0.34342E-03 -0.12114E-03 4855 0.779E-02 0.159E-01 RMM: 5 -0.302776378436E+03 0.13051E-03 -0.21025E-04 3888 0.367E-02 0.980E-02 RMM: 6 -0.302776324837E+03 0.53599E-04 -0.71375E-05 3457 0.248E-02 0.429E-02 RMM: 7 -0.302776350232E+03 -0.25395E-04 -0.28616E-05 2673 0.163E-02 0.731E-02 RMM: 8 -0.302776317672E+03 0.32560E-04 -0.21245E-05 2562 0.155E-02 0.226E-02 RMM: 9 -0.302776317395E+03 0.27735E-06 -0.81829E-06 2457 0.872E-03 565 T= 5852. E= 0.67454933E+03 F= 0.62613755E+03 E0= 0.65405668E+03 EK= 0.48412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302172424300E+03 0.60389E+00 -0.17589E-01 8400 0.233E+01 0.196E-01 RMM: 2 -0.302186020456E+03 -0.13596E-01 -0.10994E-01 5010 0.765E-01 0.755E-01 RMM: 3 -0.302181895464E+03 0.41250E-02 -0.12461E-02 5860 0.213E-01 0.163E-01 RMM: 4 -0.302181632914E+03 0.26255E-03 -0.72002E-04 4664 0.609E-02 0.138E-01 RMM: 5 -0.302181507275E+03 0.12564E-03 -0.12442E-04 3821 0.295E-02 0.762E-02 RMM: 6 -0.302181488167E+03 0.19108E-04 -0.42106E-05 3059 0.192E-02 566 T= 5901. E= 0.67561982E+03 F= 0.62680609E+03 E0= 0.65472057E+03 EK= 0.48814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301610206354E+03 0.57130E+00 -0.17879E-01 8412 0.236E+01 0.309E-01 RMM: 2 -0.301636336085E+03 -0.26130E-01 -0.11640E-01 5053 0.786E-01 0.154E+00 RMM: 3 -0.301619492589E+03 0.16843E-01 -0.15133E-02 5416 0.280E-01 0.273E-01 RMM: 4 -0.301619035085E+03 0.45750E-03 -0.16286E-03 4829 0.807E-02 0.137E-01 RMM: 5 -0.301618976088E+03 0.58997E-04 -0.21953E-04 3918 0.364E-02 0.129E-01 RMM: 6 -0.301618880910E+03 0.95179E-04 -0.77307E-05 3530 0.250E-02 0.668E-02 RMM: 7 -0.301618923935E+03 -0.43026E-04 -0.80146E-05 3647 0.247E-02 0.103E-01 RMM: 8 -0.301618874216E+03 0.49719E-04 -0.81046E-05 3692 0.219E-02 0.565E-02 RMM: 9 -0.301618854907E+03 0.19309E-04 -0.17717E-05 2564 0.129E-02 567 T= 6137. E= 0.67822314E+03 F= 0.62744996E+03 E0= 0.65536115E+03 EK= 0.50773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301037182658E+03 0.58169E+00 -0.18812E-01 8400 0.242E+01 0.345E-01 RMM: 2 -0.301068190916E+03 -0.31008E-01 -0.14160E-01 4977 0.874E-01 0.169E+00 RMM: 3 -0.301048268302E+03 0.19923E-01 -0.18245E-02 5464 0.302E-01 0.318E-01 RMM: 4 -0.301047577086E+03 0.69122E-03 -0.20943E-03 5082 0.990E-02 0.164E-01 RMM: 5 -0.301047566977E+03 0.10109E-04 -0.32102E-04 3913 0.413E-02 0.168E-01 RMM: 6 -0.301047371373E+03 0.19560E-03 -0.99619E-05 3708 0.286E-02 0.387E-02 RMM: 7 -0.301047370368E+03 0.10050E-05 -0.22732E-05 2597 0.135E-02 568 T= 6499. E= 0.68187296E+03 F= 0.62810873E+03 E0= 0.65601537E+03 EK= 0.53764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300422129467E+03 0.62524E+00 -0.19705E-01 8136 0.248E+01 0.251E-01 RMM: 2 -0.300445001936E+03 -0.22872E-01 -0.14757E-01 5053 0.875E-01 0.119E+00 RMM: 3 -0.300434436725E+03 0.10565E-01 -0.16127E-02 5662 0.256E-01 0.196E-01 RMM: 4 -0.300434177659E+03 0.25907E-03 -0.12351E-03 4769 0.768E-02 0.173E-01 RMM: 5 -0.300434027065E+03 0.15059E-03 -0.20421E-04 3888 0.353E-02 0.113E-01 RMM: 6 -0.300433946915E+03 0.80150E-04 -0.61249E-05 3344 0.222E-02 0.519E-02 RMM: 7 -0.300433983302E+03 -0.36387E-04 -0.84955E-05 3777 0.239E-02 0.955E-02 RMM: 8 -0.300433927301E+03 0.56001E-04 -0.55018E-05 3261 0.205E-02 0.382E-02 RMM: 9 -0.300433922067E+03 0.52334E-05 -0.15845E-05 2508 0.118E-02 569 T= 6868. E= 0.68563526E+03 F= 0.62881449E+03 E0= 0.65671595E+03 EK= 0.56821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299757217340E+03 0.67671E+00 -0.21146E-01 8100 0.253E+01 0.231E-01 RMM: 2 -0.299777123674E+03 -0.19906E-01 -0.16933E-01 4907 0.954E-01 0.847E-01 RMM: 3 -0.299771734202E+03 0.53895E-02 -0.18836E-02 5975 0.254E-01 0.161E-01 RMM: 4 -0.299771549268E+03 0.18493E-03 -0.10870E-03 4922 0.791E-02 0.224E-01 RMM: 5 -0.299771206073E+03 0.34320E-03 -0.23726E-04 3883 0.392E-02 0.842E-02 RMM: 6 -0.299771164111E+03 0.41961E-04 -0.48671E-05 3186 0.201E-02 0.439E-02 RMM: 7 -0.299771171457E+03 -0.73458E-05 -0.33109E-05 2656 0.167E-02 570 T= 7102. E= 0.68832638E+03 F= 0.62957455E+03 E0= 0.65746973E+03 EK= 0.58752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299079121513E+03 0.69204E+00 -0.20459E-01 7896 0.254E+01 0.224E-01 RMM: 2 -0.299098124396E+03 -0.19003E-01 -0.15495E-01 5030 0.909E-01 0.874E-01 RMM: 3 -0.299092446725E+03 0.56777E-02 -0.16801E-02 5905 0.243E-01 0.188E-01 RMM: 4 -0.299092086951E+03 0.35977E-03 -0.95593E-04 4789 0.721E-02 0.160E-01 RMM: 5 -0.299091933761E+03 0.15319E-03 -0.16785E-04 3884 0.326E-02 0.951E-02 RMM: 6 -0.299091889348E+03 0.44413E-04 -0.53664E-05 3266 0.210E-02 0.582E-02 RMM: 7 -0.299091926941E+03 -0.37593E-04 -0.73652E-05 3607 0.218E-02 0.100E-01 RMM: 8 -0.299091862095E+03 0.64846E-04 -0.49344E-05 3194 0.208E-02 0.266E-02 RMM: 9 -0.299091863141E+03 -0.10463E-05 -0.12436E-05 2486 0.103E-02 571 T= 7098. E= 0.68907333E+03 F= 0.63035711E+03 E0= 0.65824703E+03 EK= 0.58716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298461195317E+03 0.63067E+00 -0.19924E-01 7728 0.251E+01 0.210E-01 RMM: 2 -0.298478697111E+03 -0.17502E-01 -0.15386E-01 4940 0.900E-01 0.748E-01 RMM: 3 -0.298474457706E+03 0.42394E-02 -0.17039E-02 5994 0.239E-01 0.171E-01 RMM: 4 -0.298474154344E+03 0.30336E-03 -0.87524E-04 4778 0.712E-02 0.186E-01 RMM: 5 -0.298473932685E+03 0.22166E-03 -0.19549E-04 3894 0.377E-02 0.902E-02 RMM: 6 -0.298473891069E+03 0.41616E-04 -0.62682E-05 3349 0.229E-02 0.548E-02 RMM: 7 -0.298473917721E+03 -0.26651E-04 -0.48025E-05 3097 0.194E-02 0.909E-02 RMM: 8 -0.298473861933E+03 0.55788E-04 -0.40704E-05 2928 0.192E-02 0.225E-02 RMM: 9 -0.298473862555E+03 -0.62245E-06 -0.12125E-05 2467 0.977E-03 572 T= 6863. E= 0.68786368E+03 F= 0.63108595E+03 E0= 0.65897247E+03 EK= 0.56778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298006102943E+03 0.46776E+00 -0.18504E-01 7848 0.245E+01 0.200E-01 RMM: 2 -0.298022027021E+03 -0.15924E-01 -0.13285E-01 4893 0.861E-01 0.756E-01 RMM: 3 -0.298017674189E+03 0.43528E-02 -0.15660E-02 5957 0.231E-01 0.151E-01 RMM: 4 -0.298017390665E+03 0.28352E-03 -0.76595E-04 4699 0.671E-02 0.158E-01 RMM: 5 -0.298017232836E+03 0.15783E-03 -0.16050E-04 3899 0.355E-02 0.861E-02 RMM: 6 -0.298017215675E+03 0.17161E-04 -0.69061E-05 3433 0.234E-02 573 T= 6511. E= 0.68552802E+03 F= 0.63166275E+03 E0= 0.65955089E+03 EK= 0.53865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297801379282E+03 0.21585E+00 -0.16603E-01 7536 0.239E+01 0.309E-01 RMM: 2 -0.297825521106E+03 -0.24142E-01 -0.12132E-01 4889 0.840E-01 0.141E+00 RMM: 3 -0.297811348045E+03 0.14173E-01 -0.16619E-02 5414 0.291E-01 0.277E-01 RMM: 4 -0.297810885860E+03 0.46218E-03 -0.15926E-03 4887 0.822E-02 0.149E-01 RMM: 5 -0.297810841250E+03 0.44609E-04 -0.28374E-04 3986 0.433E-02 0.151E-01 RMM: 6 -0.297810714700E+03 0.12655E-03 -0.15179E-04 3892 0.342E-02 0.810E-02 RMM: 7 -0.297810762770E+03 -0.48071E-04 -0.10202E-04 3809 0.279E-02 0.112E-01 RMM: 8 -0.297810693406E+03 0.69364E-04 -0.54819E-05 3299 0.216E-02 0.563E-02 RMM: 9 -0.297810676885E+03 0.16521E-04 -0.18888E-05 2561 0.135E-02 574 T= 6186. E= 0.68317445E+03 F= 0.63199991E+03 E0= 0.65989500E+03 EK= 0.51175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297893280472E+03 -0.82587E-01 -0.15749E-01 7500 0.234E+01 0.325E-01 RMM: 2 -0.297921385411E+03 -0.28105E-01 -0.11770E-01 4790 0.846E-01 0.164E+00 RMM: 3 -0.297902811858E+03 0.18574E-01 -0.16330E-02 5401 0.294E-01 0.320E-01 RMM: 4 -0.297902118672E+03 0.69319E-03 -0.18861E-03 5006 0.937E-02 0.149E-01 RMM: 5 -0.297902151808E+03 -0.33136E-04 -0.34159E-04 4026 0.459E-02 0.172E-01 RMM: 6 -0.297901954372E+03 0.19744E-03 -0.13383E-04 3877 0.328E-02 0.503E-02 RMM: 7 -0.297901964217E+03 -0.98451E-05 -0.46529E-05 3153 0.195E-02 575 T= 5997. E= 0.68166042E+03 F= 0.63204977E+03 E0= 0.65995992E+03 EK= 0.49611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298276291861E+03 -0.37434E+00 -0.15349E-01 7128 0.233E+01 0.261E-01 RMM: 2 -0.298293487059E+03 -0.17195E-01 -0.10868E-01 4784 0.806E-01 0.107E+00 RMM: 3 -0.298285340208E+03 0.81469E-02 -0.13692E-02 5513 0.245E-01 0.223E-01 RMM: 4 -0.298285101726E+03 0.23848E-03 -0.12132E-03 4828 0.780E-02 0.171E-01 RMM: 5 -0.298285023603E+03 0.78123E-04 -0.27651E-04 3951 0.419E-02 0.158E-01 RMM: 6 -0.298284872328E+03 0.15128E-03 -0.13430E-04 3867 0.323E-02 0.586E-02 RMM: 7 -0.298284917966E+03 -0.45638E-04 -0.70543E-05 3504 0.234E-02 0.998E-02 RMM: 8 -0.298284861414E+03 0.56552E-04 -0.35739E-05 3036 0.193E-02 0.440E-02 RMM: 9 -0.298284850929E+03 0.10486E-04 -0.12844E-05 2503 0.110E-02 576 T= 5994. E= 0.68140677E+03 F= 0.63181747E+03 E0= 0.65975130E+03 EK= 0.49589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298892904808E+03 -0.60804E+00 -0.15563E-01 7584 0.236E+01 0.256E-01 RMM: 2 -0.298909156113E+03 -0.16251E-01 -0.10429E-01 4761 0.794E-01 0.106E+00 RMM: 3 -0.298901366876E+03 0.77892E-02 -0.12609E-02 5560 0.232E-01 0.183E-01 RMM: 4 -0.298901416225E+03 -0.49349E-04 -0.11834E-03 4814 0.802E-02 0.238E-01 RMM: 5 -0.298901092454E+03 0.32377E-03 -0.25942E-04 3889 0.411E-02 0.120E-01 RMM: 6 -0.298901001458E+03 0.90996E-04 -0.83797E-05 3553 0.263E-02 0.443E-02 RMM: 7 -0.298901026478E+03 -0.25019E-04 -0.42796E-05 3069 0.191E-02 0.766E-02 RMM: 8 -0.298900989542E+03 0.36936E-04 -0.26746E-05 2676 0.172E-02 0.232E-02 RMM: 9 -0.298900990248E+03 -0.70644E-06 -0.90823E-06 2465 0.875E-03 577 T= 6171. E= 0.68241294E+03 F= 0.63135949E+03 E0= 0.65932644E+03 EK= 0.51053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299642339957E+03 -0.74135E+00 -0.16368E-01 7320 0.241E+01 0.269E-01 RMM: 2 -0.299656386699E+03 -0.14047E-01 -0.11225E-01 4853 0.824E-01 0.845E-01 RMM: 3 -0.299651413431E+03 0.49733E-02 -0.13755E-02 5682 0.235E-01 0.189E-01 RMM: 4 -0.299651464731E+03 -0.51299E-04 -0.12489E-03 4864 0.832E-02 0.256E-01 RMM: 5 -0.299651025461E+03 0.43927E-03 -0.29597E-04 3901 0.427E-02 0.946E-02 RMM: 6 -0.299650973250E+03 0.52210E-04 -0.69049E-05 3441 0.236E-02 0.483E-02 RMM: 7 -0.299650990668E+03 -0.17418E-04 -0.39835E-05 2983 0.186E-02 578 T= 6468. E= 0.68427857E+03 F= 0.63077338E+03 E0= 0.65878280E+03 EK= 0.53505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300406780451E+03 -0.75581E+00 -0.17797E-01 7488 0.248E+01 0.291E-01 RMM: 2 -0.300421456137E+03 -0.14676E-01 -0.11711E-01 4915 0.842E-01 0.892E-01 RMM: 3 -0.300416278753E+03 0.51774E-02 -0.14335E-02 5781 0.236E-01 0.251E-01 RMM: 4 -0.300416129468E+03 0.14928E-03 -0.13766E-03 4896 0.883E-02 0.264E-01 RMM: 5 -0.300415656226E+03 0.47324E-03 -0.33082E-04 3909 0.455E-02 0.951E-02 RMM: 6 -0.300415610169E+03 0.46057E-04 -0.87099E-05 3560 0.266E-02 0.593E-02 RMM: 7 -0.300415635783E+03 -0.25613E-04 -0.48409E-05 3161 0.195E-02 0.896E-02 RMM: 8 -0.300415586460E+03 0.49322E-04 -0.37109E-05 2920 0.187E-02 0.332E-02 RMM: 9 -0.300415587054E+03 -0.59347E-06 -0.17237E-05 2518 0.121E-02 579 T= 6775. E= 0.68622825E+03 F= 0.63017741E+03 E0= 0.65823688E+03 EK= 0.56051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301069138908E+03 -0.65355E+00 -0.19257E-01 7620 0.253E+01 0.280E-01 RMM: 2 -0.301085377939E+03 -0.16239E-01 -0.13963E-01 4827 0.900E-01 0.820E-01 RMM: 3 -0.301080582599E+03 0.47953E-02 -0.16808E-02 5844 0.247E-01 0.176E-01 RMM: 4 -0.301080825400E+03 -0.24280E-03 -0.12425E-03 4917 0.827E-02 0.324E-01 RMM: 5 -0.301080111210E+03 0.71419E-03 -0.33996E-04 4043 0.472E-02 0.871E-02 RMM: 6 -0.301080064870E+03 0.46340E-04 -0.78821E-05 3509 0.242E-02 0.461E-02 RMM: 7 -0.301080066059E+03 -0.11896E-05 -0.34295E-05 2789 0.173E-02 580 T= 6966. E= 0.68731566E+03 F= 0.62968668E+03 E0= 0.65780207E+03 EK= 0.57629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301550767119E+03 -0.47070E+00 -0.19805E-01 7716 0.255E+01 0.284E-01 RMM: 2 -0.301567018525E+03 -0.16251E-01 -0.13303E-01 4806 0.889E-01 0.882E-01 RMM: 3 -0.301561723778E+03 0.52947E-02 -0.16082E-02 5852 0.246E-01 0.232E-01 RMM: 4 -0.301561564601E+03 0.15918E-03 -0.13678E-03 5013 0.896E-02 0.257E-01 RMM: 5 -0.301561121022E+03 0.44358E-03 -0.31043E-04 3896 0.433E-02 0.102E-01 RMM: 6 -0.301561074783E+03 0.46239E-04 -0.83385E-05 3563 0.254E-02 0.704E-02 RMM: 7 -0.301561101409E+03 -0.26626E-04 -0.75925E-05 3666 0.229E-02 0.994E-02 RMM: 8 -0.301561038093E+03 0.63316E-04 -0.42509E-05 3140 0.200E-02 0.277E-02 RMM: 9 -0.301561042904E+03 -0.48109E-05 -0.13987E-05 2506 0.108E-02 581 T= 6951. E= 0.68688566E+03 F= 0.62938624E+03 E0= 0.65755989E+03 EK= 0.57499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301813889119E+03 -0.25285E+00 -0.20586E-01 7428 0.254E+01 0.248E-01 RMM: 2 -0.301830275612E+03 -0.16386E-01 -0.15236E-01 4730 0.930E-01 0.680E-01 RMM: 3 -0.301826684074E+03 0.35915E-02 -0.17963E-02 6026 0.246E-01 0.181E-01 RMM: 4 -0.301826695903E+03 -0.11829E-04 -0.11919E-03 5049 0.858E-02 0.285E-01 RMM: 5 -0.301826168664E+03 0.52724E-03 -0.33322E-04 4012 0.471E-02 0.106E-01 RMM: 6 -0.301826109901E+03 0.58764E-04 -0.10186E-04 3680 0.279E-02 0.591E-02 RMM: 7 -0.301826137797E+03 -0.27896E-04 -0.44541E-05 3106 0.192E-02 0.887E-02 RMM: 8 -0.301826086124E+03 0.51672E-04 -0.28469E-05 2758 0.175E-02 0.213E-02 RMM: 9 -0.301826089952E+03 -0.38280E-05 -0.10366E-05 2473 0.897E-03 582 T= 6732. E= 0.68500335E+03 F= 0.62931097E+03 E0= 0.65754076E+03 EK= 0.55692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301882306146E+03 -0.56220E-01 -0.18557E-01 7584 0.249E+01 0.234E-01 RMM: 2 -0.301895043246E+03 -0.12737E-01 -0.11555E-01 4859 0.808E-01 0.663E-01 RMM: 3 -0.301891866488E+03 0.31768E-02 -0.13236E-02 5973 0.212E-01 0.167E-01 RMM: 4 -0.301891867864E+03 -0.13761E-05 -0.98559E-04 4859 0.806E-02 0.255E-01 RMM: 5 -0.301891452567E+03 0.41530E-03 -0.32334E-04 4043 0.480E-02 0.110E-01 RMM: 6 -0.301891413625E+03 0.38942E-04 -0.11496E-04 3821 0.295E-02 0.836E-02 RMM: 7 -0.301891418534E+03 -0.49087E-05 -0.60640E-05 3409 0.224E-02 583 T= 6404. E= 0.68242467E+03 F= 0.62944688E+03 E0= 0.65772735E+03 EK= 0.52978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301794427608E+03 0.96986E-01 -0.17447E-01 8016 0.244E+01 0.257E-01 RMM: 2 -0.301805343549E+03 -0.10916E-01 -0.92077E-02 5035 0.734E-01 0.732E-01 RMM: 3 -0.301801624066E+03 0.37195E-02 -0.10217E-02 5828 0.197E-01 0.201E-01 RMM: 4 -0.301801607817E+03 0.16249E-04 -0.95647E-04 4771 0.764E-02 0.254E-01 RMM: 5 -0.301801191072E+03 0.41674E-03 -0.38948E-04 4277 0.538E-02 0.108E-01 RMM: 6 -0.301801204601E+03 -0.13528E-04 -0.15298E-04 3878 0.329E-02 584 T= 6091. E= 0.68014196E+03 F= 0.62975087E+03 E0= 0.65807313E+03 EK= 0.50391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301593579246E+03 0.20761E+00 -0.17862E-01 7596 0.239E+01 0.365E-01 RMM: 2 -0.301623446687E+03 -0.29867E-01 -0.12534E-01 4848 0.864E-01 0.169E+00 RMM: 3 -0.301603288771E+03 0.20158E-01 -0.18051E-02 5389 0.311E-01 0.326E-01 RMM: 4 -0.301602722178E+03 0.56659E-03 -0.20431E-03 5121 0.946E-02 0.194E-01 RMM: 5 -0.301602677375E+03 0.44803E-04 -0.54432E-04 4555 0.599E-02 0.197E-01 RMM: 6 -0.301602451760E+03 0.22561E-03 -0.26257E-04 3892 0.434E-02 0.926E-02 RMM: 7 -0.301602510361E+03 -0.58602E-04 -0.13070E-04 3878 0.311E-02 0.127E-01 RMM: 8 -0.301602419665E+03 0.90697E-04 -0.58904E-05 3407 0.234E-02 0.572E-02 RMM: 9 -0.301602401877E+03 0.17788E-04 -0.16513E-05 2540 0.123E-02 585 T= 5895. E= 0.67894508E+03 F= 0.63017523E+03 E0= 0.65853146E+03 EK= 0.48770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301323283463E+03 0.27914E+00 -0.16677E-01 7716 0.237E+01 0.378E-01 RMM: 2 -0.301351758639E+03 -0.28475E-01 -0.10167E-01 4960 0.787E-01 0.174E+00 RMM: 3 -0.301330677530E+03 0.21081E-01 -0.15896E-02 5375 0.301E-01 0.376E-01 RMM: 4 -0.301329839833E+03 0.83770E-03 -0.22299E-03 5120 0.104E-01 0.191E-01 RMM: 5 -0.301329904982E+03 -0.65149E-04 -0.46581E-04 4488 0.549E-02 0.229E-01 RMM: 6 -0.301329546023E+03 0.35896E-03 -0.18860E-04 3878 0.373E-02 0.565E-02 RMM: 7 -0.301329584230E+03 -0.38207E-04 -0.88041E-05 3613 0.252E-02 0.961E-02 RMM: 8 -0.301329530591E+03 0.53639E-04 -0.37683E-05 3089 0.196E-02 0.414E-02 RMM: 9 -0.301329520587E+03 0.10005E-04 -0.10103E-05 2489 0.943E-03 586 T= 5872. E= 0.67925767E+03 F= 0.63068290E+03 E0= 0.65906257E+03 EK= 0.48575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300992814719E+03 0.33672E+00 -0.16263E-01 7680 0.237E+01 0.317E-01 RMM: 2 -0.301010414565E+03 -0.17600E-01 -0.90225E-02 5023 0.729E-01 0.127E+00 RMM: 3 -0.300999385246E+03 0.11029E-01 -0.11404E-02 5415 0.236E-01 0.245E-01 RMM: 4 -0.300999377051E+03 0.81953E-05 -0.15696E-03 4890 0.910E-02 0.267E-01 RMM: 5 -0.300999029125E+03 0.34793E-03 -0.42467E-04 4348 0.536E-02 0.173E-01 RMM: 6 -0.300998850684E+03 0.17844E-03 -0.16309E-04 3880 0.347E-02 0.707E-02 RMM: 7 -0.300998909162E+03 -0.58478E-04 -0.97044E-05 3759 0.271E-02 0.116E-01 RMM: 8 -0.300998820776E+03 0.88385E-04 -0.44488E-05 3205 0.210E-02 0.346E-02 RMM: 9 -0.300998817069E+03 0.37075E-05 -0.10652E-05 2494 0.928E-03 587 T= 6031. E= 0.68114328E+03 F= 0.63125393E+03 E0= 0.65964778E+03 EK= 0.49889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300608203332E+03 0.39062E+00 -0.16875E-01 7896 0.241E+01 0.300E-01 RMM: 2 -0.300623337628E+03 -0.15134E-01 -0.97033E-02 4975 0.758E-01 0.107E+00 RMM: 3 -0.300615471199E+03 0.78664E-02 -0.11649E-02 5514 0.225E-01 0.205E-01 RMM: 4 -0.300615796232E+03 -0.32503E-03 -0.13688E-03 4892 0.870E-02 0.324E-01 RMM: 5 -0.300615163190E+03 0.63304E-03 -0.39940E-04 4196 0.519E-02 0.138E-01 RMM: 6 -0.300615048219E+03 0.11497E-03 -0.14012E-04 3871 0.320E-02 0.629E-02 RMM: 7 -0.300615099275E+03 -0.51055E-04 -0.69612E-05 3492 0.232E-02 0.106E-01 RMM: 8 -0.300615025614E+03 0.73661E-04 -0.37520E-05 3077 0.196E-02 0.265E-02 RMM: 9 -0.300615026520E+03 -0.90643E-06 -0.10203E-05 2486 0.902E-03 588 T= 6336. E= 0.68429785E+03 F= 0.63188000E+03 E0= 0.66027954E+03 EK= 0.52418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300177888996E+03 0.43714E+00 -0.18256E-01 7476 0.245E+01 0.286E-01 RMM: 2 -0.300191901278E+03 -0.14012E-01 -0.11479E-01 4960 0.809E-01 0.847E-01 RMM: 3 -0.300186974627E+03 0.49267E-02 -0.13373E-02 5724 0.219E-01 0.214E-01 RMM: 4 -0.300187127911E+03 -0.15328E-03 -0.14461E-03 4952 0.936E-02 0.314E-01 RMM: 5 -0.300186517344E+03 0.61057E-03 -0.41800E-04 4167 0.526E-02 0.133E-01 RMM: 6 -0.300186414116E+03 0.10323E-03 -0.11461E-04 3841 0.293E-02 0.620E-02 RMM: 7 -0.300186447864E+03 -0.33749E-04 -0.69828E-05 3487 0.226E-02 0.970E-02 RMM: 8 -0.300186387349E+03 0.60516E-04 -0.36537E-05 3060 0.195E-02 0.269E-02 RMM: 9 -0.300186387442E+03 -0.93947E-07 -0.99837E-06 2479 0.889E-03 589 T= 6703. E= 0.68800192E+03 F= 0.63255062E+03 E0= 0.66094911E+03 EK= 0.55451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299730438815E+03 0.45595E+00 -0.19266E-01 7728 0.249E+01 0.302E-01 RMM: 2 -0.299746250995E+03 -0.15812E-01 -0.11687E-01 4946 0.825E-01 0.990E-01 RMM: 3 -0.299739594659E+03 0.66563E-02 -0.13921E-02 5661 0.232E-01 0.210E-01 RMM: 4 -0.299739917671E+03 -0.32301E-03 -0.14639E-03 4956 0.918E-02 0.344E-01 RMM: 5 -0.299739158974E+03 0.75870E-03 -0.43010E-04 4285 0.539E-02 0.122E-01 RMM: 6 -0.299739073543E+03 0.85431E-04 -0.12204E-04 3823 0.294E-02 0.644E-02 RMM: 7 -0.299739117302E+03 -0.43759E-04 -0.69418E-05 3502 0.230E-02 0.104E-01 RMM: 8 -0.299739046248E+03 0.71054E-04 -0.37500E-05 3072 0.193E-02 0.265E-02 RMM: 9 -0.299739046683E+03 -0.43427E-06 -0.10793E-05 2486 0.933E-03 590 T= 7004. E= 0.69118458E+03 F= 0.63323961E+03 E0= 0.66163236E+03 EK= 0.57945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299322406350E+03 0.41664E+00 -0.18826E-01 7680 0.251E+01 0.284E-01 RMM: 2 -0.299335660838E+03 -0.13254E-01 -0.11042E-01 4960 0.802E-01 0.817E-01 RMM: 3 -0.299331105861E+03 0.45550E-02 -0.12856E-02 5763 0.218E-01 0.193E-01 RMM: 4 -0.299331338881E+03 -0.23302E-03 -0.13874E-03 4967 0.928E-02 0.316E-01 RMM: 5 -0.299330694842E+03 0.64404E-03 -0.43355E-04 4200 0.541E-02 0.119E-01 RMM: 6 -0.299330626642E+03 0.68200E-04 -0.10952E-04 3807 0.284E-02 0.706E-02 RMM: 7 -0.299330650969E+03 -0.24328E-04 -0.59830E-05 3382 0.214E-02 0.949E-02 RMM: 8 -0.299330593044E+03 0.57926E-04 -0.31178E-05 2917 0.183E-02 0.229E-02 RMM: 9 -0.299330595807E+03 -0.27630E-05 -0.93615E-06 2475 0.842E-03 591 T= 7120. E= 0.69279566E+03 F= 0.63389154E+03 E0= 0.66227654E+03 EK= 0.58904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299044314187E+03 0.28628E+00 -0.18805E-01 7476 0.248E+01 0.277E-01 RMM: 2 -0.299057904698E+03 -0.13591E-01 -0.11532E-01 4909 0.821E-01 0.796E-01 RMM: 3 -0.299053643165E+03 0.42615E-02 -0.13546E-02 5758 0.224E-01 0.204E-01 RMM: 4 -0.299053848087E+03 -0.20492E-03 -0.12686E-03 4943 0.884E-02 0.321E-01 RMM: 5 -0.299053216546E+03 0.63154E-03 -0.44326E-04 4429 0.563E-02 0.129E-01 RMM: 6 -0.299053132881E+03 0.83665E-04 -0.14827E-04 3880 0.321E-02 0.751E-02 RMM: 7 -0.299053161743E+03 -0.28862E-04 -0.68376E-05 3506 0.242E-02 0.992E-02 RMM: 8 -0.299053097619E+03 0.64124E-04 -0.31431E-05 2987 0.179E-02 0.252E-02 RMM: 9 -0.299053099794E+03 -0.21752E-05 -0.10360E-05 2480 0.909E-03 592 T= 7006. E= 0.69237737E+03 F= 0.63441804E+03 E0= 0.66279589E+03 EK= 0.57959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299000948261E+03 0.52149E-01 -0.18486E-01 7572 0.243E+01 0.268E-01 RMM: 2 -0.299013668816E+03 -0.12721E-01 -0.11129E-01 4907 0.810E-01 0.741E-01 RMM: 3 -0.299009950671E+03 0.37181E-02 -0.13138E-02 5858 0.217E-01 0.185E-01 RMM: 4 -0.299010094599E+03 -0.14393E-03 -0.12387E-03 4985 0.908E-02 0.297E-01 RMM: 5 -0.299009537530E+03 0.55707E-03 -0.45952E-04 4480 0.577E-02 0.125E-01 RMM: 6 -0.299009492658E+03 0.44872E-04 -0.15209E-04 3880 0.326E-02 0.976E-02 RMM: 7 -0.299009482451E+03 0.10208E-04 -0.70112E-05 3526 0.253E-02 593 T= 6723. E= 0.69034057E+03 F= 0.63472023E+03 E0= 0.66309330E+03 EK= 0.55620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299276347189E+03 -0.26685E+00 -0.17745E-01 7668 0.237E+01 0.299E-01 RMM: 2 -0.299287863216E+03 -0.11516E-01 -0.10728E-01 4950 0.795E-01 0.674E-01 RMM: 3 -0.299284900730E+03 0.29625E-02 -0.12618E-02 5847 0.213E-01 0.232E-01 RMM: 4 -0.299285097714E+03 -0.19698E-03 -0.13389E-03 4971 0.947E-02 0.345E-01 RMM: 5 -0.299284322884E+03 0.77483E-03 -0.70191E-04 4605 0.724E-02 0.117E-01 RMM: 6 -0.299284356520E+03 -0.33636E-04 -0.22356E-04 3892 0.392E-02 0.139E-01 RMM: 7 -0.299284289427E+03 0.67093E-04 -0.10790E-04 3833 0.326E-02 0.977E-02 RMM: 8 -0.299284231755E+03 0.57672E-04 -0.31956E-05 3012 0.173E-02 0.355E-02 RMM: 9 -0.299284241116E+03 -0.93612E-05 -0.16910E-05 2518 0.120E-02 594 T= 6398. E= 0.68764845E+03 F= 0.63471671E+03 E0= 0.66308940E+03 EK= 0.52932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299907522316E+03 -0.62329E+00 -0.17396E-01 7752 0.233E+01 0.263E-01 RMM: 2 -0.299920719344E+03 -0.13197E-01 -0.11611E-01 4873 0.828E-01 0.740E-01 RMM: 3 -0.299916985887E+03 0.37335E-02 -0.13986E-02 5864 0.223E-01 0.173E-01 RMM: 4 -0.299917105435E+03 -0.11955E-03 -0.12051E-03 4909 0.884E-02 0.292E-01 RMM: 5 -0.299916620089E+03 0.48535E-03 -0.46913E-04 4574 0.590E-02 0.146E-01 RMM: 6 -0.299916511793E+03 0.10830E-03 -0.17769E-04 3888 0.354E-02 0.797E-02 RMM: 7 -0.299916540319E+03 -0.28527E-04 -0.70973E-05 3527 0.252E-02 0.102E-01 RMM: 8 -0.299916471646E+03 0.68673E-04 -0.30995E-05 2981 0.180E-02 0.273E-02 RMM: 9 -0.299916470113E+03 0.15332E-05 -0.73662E-06 2470 0.805E-03 595 T= 6152. E= 0.68525948E+03 F= 0.63436959E+03 E0= 0.66274583E+03 EK= 0.50890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300884781731E+03 -0.96831E+00 -0.16755E-01 7908 0.230E+01 0.318E-01 RMM: 2 -0.300895846320E+03 -0.11065E-01 -0.10188E-01 4991 0.769E-01 0.719E-01 RMM: 3 -0.300892429992E+03 0.34163E-02 -0.11555E-02 5790 0.206E-01 0.226E-01 RMM: 4 -0.300893008995E+03 -0.57900E-03 -0.16363E-03 4992 0.106E-01 0.408E-01 RMM: 5 -0.300891928482E+03 0.10805E-02 -0.68893E-04 4596 0.704E-02 0.136E-01 RMM: 6 -0.300891864471E+03 0.64011E-04 -0.20021E-04 3899 0.367E-02 0.103E-01 RMM: 7 -0.300891871181E+03 -0.67098E-05 -0.93134E-05 3776 0.292E-02 596 T= 6055. E= 0.68378504E+03 F= 0.63369217E+03 E0= 0.66207572E+03 EK= 0.50093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302138961210E+03 -0.12471E+01 -0.16841E-01 7956 0.232E+01 0.356E-01 RMM: 2 -0.302150838398E+03 -0.11877E-01 -0.10082E-01 4963 0.774E-01 0.850E-01 RMM: 3 -0.302146194840E+03 0.46436E-02 -0.11867E-02 5662 0.221E-01 0.274E-01 RMM: 4 -0.302146790751E+03 -0.59591E-03 -0.19297E-03 5089 0.110E-01 0.428E-01 RMM: 5 -0.302145622442E+03 0.11683E-02 -0.77905E-04 4595 0.738E-02 0.158E-01 RMM: 6 -0.302145505100E+03 0.11734E-03 -0.20241E-04 3876 0.373E-02 0.959E-02 RMM: 7 -0.302145547091E+03 -0.41992E-04 -0.11117E-04 3847 0.298E-02 0.123E-01 RMM: 8 -0.302145451113E+03 0.95979E-04 -0.58843E-05 3381 0.230E-02 0.355E-02 RMM: 9 -0.302145456782E+03 -0.56696E-05 -0.15464E-05 2531 0.114E-02 597 T= 6126. E= 0.68342533E+03 F= 0.63274678E+03 E0= 0.66114056E+03 EK= 0.50679E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303559945742E+03 -0.14145E+01 -0.17877E-01 7956 0.237E+01 0.335E-01 RMM: 2 -0.303574268859E+03 -0.14323E-01 -0.11075E-01 4902 0.804E-01 0.956E-01 RMM: 3 -0.303567988253E+03 0.62806E-02 -0.13378E-02 5572 0.240E-01 0.204E-01 RMM: 4 -0.303568842405E+03 -0.85415E-03 -0.16902E-03 5035 0.982E-02 0.432E-01 RMM: 5 -0.303567615386E+03 0.12270E-02 -0.58770E-04 4596 0.638E-02 0.123E-01 RMM: 6 -0.303567526013E+03 0.89372E-04 -0.13771E-04 3866 0.302E-02 0.586E-02 RMM: 7 -0.303567553921E+03 -0.27908E-04 -0.48299E-05 3234 0.200E-02 0.896E-02 RMM: 8 -0.303567502210E+03 0.51711E-04 -0.26874E-05 2818 0.169E-02 0.278E-02 RMM: 9 -0.303567500024E+03 0.21867E-05 -0.86467E-06 2472 0.849E-03 598 T= 6330. E= 0.68400468E+03 F= 0.63164000E+03 E0= 0.66004567E+03 EK= 0.52365E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305016209325E+03 -0.14487E+01 -0.18602E-01 7788 0.243E+01 0.391E-01 RMM: 2 -0.305029865694E+03 -0.13656E-01 -0.10651E-01 5037 0.792E-01 0.987E-01 RMM: 3 -0.305023381339E+03 0.64844E-02 -0.12346E-02 5531 0.234E-01 0.307E-01 RMM: 4 -0.305023961887E+03 -0.58055E-03 -0.23263E-03 5127 0.119E-01 0.443E-01 RMM: 5 -0.305022798753E+03 0.11631E-02 -0.83250E-04 4607 0.764E-02 0.205E-01 RMM: 6 -0.305022523969E+03 0.27478E-03 -0.20514E-04 3901 0.376E-02 0.701E-02 RMM: 7 -0.305022574288E+03 -0.50319E-04 -0.11150E-04 3844 0.286E-02 0.114E-01 RMM: 8 -0.305022495159E+03 0.79129E-04 -0.50532E-05 3285 0.213E-02 0.466E-02 RMM: 9 -0.305022485612E+03 0.95475E-05 -0.15670E-05 2534 0.117E-02 599 T= 6589. E= 0.68501012E+03 F= 0.63050509E+03 E0= 0.65892352E+03 EK= 0.54505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306365649356E+03 -0.13432E+01 -0.20149E-01 7824 0.249E+01 0.393E-01 RMM: 2 -0.306382803464E+03 -0.17154E-01 -0.12299E-01 4895 0.851E-01 0.113E+00 RMM: 3 -0.306374166506E+03 0.86370E-02 -0.15204E-02 5522 0.261E-01 0.238E-01 RMM: 4 -0.306375330138E+03 -0.11636E-02 -0.22816E-03 5203 0.115E-01 0.501E-01 RMM: 5 -0.306373676845E+03 0.16533E-02 -0.82675E-04 4607 0.763E-02 0.127E-01 RMM: 6 -0.306373600976E+03 0.75869E-04 -0.16221E-04 3876 0.320E-02 0.815E-02 RMM: 7 -0.306373629557E+03 -0.28580E-04 -0.73620E-05 3556 0.240E-02 0.107E-01 RMM: 8 -0.306373555420E+03 0.74136E-04 -0.39032E-05 3103 0.192E-02 0.268E-02 RMM: 9 -0.306373563341E+03 -0.79207E-05 -0.15248E-05 2514 0.111E-02 600 T= 6797. E= 0.68571036E+03 F= 0.62947851E+03 E0= 0.65790939E+03 EK= 0.56232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307507383576E+03 -0.11338E+01 -0.20751E-01 7560 0.253E+01 0.374E-01 RMM: 2 -0.307522358808E+03 -0.14975E-01 -0.11871E-01 4902 0.824E-01 0.979E-01 RMM: 3 -0.307515835230E+03 0.65236E-02 -0.13956E-02 5609 0.241E-01 0.287E-01 RMM: 4 -0.307516411047E+03 -0.57582E-03 -0.23247E-03 5231 0.120E-01 0.435E-01 RMM: 5 -0.307515252213E+03 0.11588E-02 -0.84937E-04 4604 0.792E-02 0.184E-01 RMM: 6 -0.307515030034E+03 0.22218E-03 -0.18395E-04 3895 0.354E-02 0.644E-02 RMM: 7 -0.307515080450E+03 -0.50416E-04 -0.95348E-05 3774 0.270E-02 0.109E-01 RMM: 8 -0.307515001952E+03 0.78498E-04 -0.42157E-05 3188 0.199E-02 0.334E-02 RMM: 9 -0.307515002271E+03 -0.31920E-06 -0.13330E-05 2505 0.104E-02 601 T= 6864. E= 0.68545029E+03 F= 0.62866768E+03 E0= 0.65711010E+03 EK= 0.56783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308394001148E+03 -0.87900E+00 -0.21290E-01 7788 0.253E+01 0.375E-01 RMM: 2 -0.308408935439E+03 -0.14934E-01 -0.12527E-01 4809 0.846E-01 0.938E-01 RMM: 3 -0.308402976774E+03 0.59587E-02 -0.15279E-02 5605 0.255E-01 0.254E-01 RMM: 4 -0.308403792973E+03 -0.81620E-03 -0.21071E-03 5222 0.112E-01 0.459E-01 RMM: 5 -0.308402411859E+03 0.13811E-02 -0.81061E-04 4599 0.759E-02 0.155E-01 RMM: 6 -0.308402299388E+03 0.11247E-03 -0.22220E-04 3903 0.389E-02 0.995E-02 RMM: 7 -0.308402342186E+03 -0.42798E-04 -0.11065E-04 3805 0.291E-02 0.129E-01 RMM: 8 -0.308402234577E+03 0.10761E-03 -0.57600E-05 3378 0.227E-02 0.379E-02 RMM: 9 -0.308402233349E+03 0.12275E-05 -0.16246E-05 2535 0.117E-02 602 T= 6757. E= 0.68401977E+03 F= 0.62812024E+03 E0= 0.65657257E+03 EK= 0.55900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309052463539E+03 -0.65023E+00 -0.20648E-01 7776 0.250E+01 0.351E-01 RMM: 2 -0.309066543497E+03 -0.14080E-01 -0.11403E-01 4791 0.806E-01 0.917E-01 RMM: 3 -0.309060737681E+03 0.58058E-02 -0.13519E-02 5670 0.235E-01 0.265E-01 RMM: 4 -0.309061168816E+03 -0.43114E-03 -0.21358E-03 5274 0.117E-01 0.407E-01 RMM: 5 -0.309060115518E+03 0.10533E-02 -0.93661E-04 4617 0.850E-02 0.155E-01 RMM: 6 -0.309060018331E+03 0.97187E-04 -0.21484E-04 3901 0.381E-02 0.108E-01 RMM: 7 -0.309060030434E+03 -0.12103E-04 -0.10874E-04 3856 0.305E-02 603 T= 6525. E= 0.68179467E+03 F= 0.62781463E+03 E0= 0.65627468E+03 EK= 0.53980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309556359425E+03 -0.49634E+00 -0.20367E-01 7692 0.245E+01 0.382E-01 RMM: 2 -0.309570479066E+03 -0.14120E-01 -0.12865E-01 4773 0.862E-01 0.842E-01 RMM: 3 -0.309565670556E+03 0.48085E-02 -0.15375E-02 5710 0.247E-01 0.276E-01 RMM: 4 -0.309566490218E+03 -0.81966E-03 -0.22995E-03 5292 0.123E-01 0.493E-01 RMM: 5 -0.309564938143E+03 0.15521E-02 -0.10709E-03 4607 0.888E-02 0.164E-01 RMM: 6 -0.309564921669E+03 0.16474E-04 -0.32617E-04 3982 0.471E-02 0.161E-01 RMM: 7 -0.309564825729E+03 0.95940E-04 -0.15734E-04 3876 0.387E-02 0.115E-01 RMM: 8 -0.309564745743E+03 0.79986E-04 -0.52491E-05 3316 0.216E-02 0.396E-02 RMM: 9 -0.309564767413E+03 -0.21670E-04 -0.27786E-05 2805 0.153E-02 0.634E-02 RMM: 10 -0.309564753472E+03 0.13941E-04 -0.20540E-05 2550 0.145E-02 604 T= 6265. E= 0.67950518E+03 F= 0.62767638E+03 E0= 0.65614209E+03 EK= 0.51829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310001503481E+03 -0.43674E+00 -0.18424E-01 7668 0.241E+01 0.309E-01 RMM: 2 -0.310012893911E+03 -0.11390E-01 -0.10326E-01 4794 0.772E-01 0.736E-01 RMM: 3 -0.310009147809E+03 0.37461E-02 -0.12241E-02 5738 0.219E-01 0.246E-01 RMM: 4 -0.310009475108E+03 -0.32730E-03 -0.15998E-03 5113 0.102E-01 0.383E-01 RMM: 5 -0.310008583331E+03 0.89178E-03 -0.84167E-04 4608 0.808E-02 0.157E-01 RMM: 6 -0.310008497085E+03 0.86247E-04 -0.28199E-04 3951 0.444E-02 0.113E-01 RMM: 7 -0.310008490565E+03 0.65199E-05 -0.95964E-05 3712 0.302E-02 605 T= 6074. E= 0.67786271E+03 F= 0.62761301E+03 E0= 0.65608158E+03 EK= 0.50250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310461153029E+03 -0.45266E+00 -0.18050E-01 7524 0.238E+01 0.418E-01 RMM: 2 -0.310469772717E+03 -0.86197E-02 -0.93891E-02 4835 0.752E-01 0.703E-01 RMM: 3 -0.310467008869E+03 0.27638E-02 -0.11271E-02 5550 0.223E-01 0.345E-01 RMM: 4 -0.310468128277E+03 -0.11194E-02 -0.23606E-03 5262 0.124E-01 0.569E-01 RMM: 5 -0.310465976446E+03 0.21518E-02 -0.12890E-03 4621 0.974E-02 0.128E-01 RMM: 6 -0.310466062043E+03 -0.85597E-04 -0.32042E-04 3957 0.462E-02 0.176E-01 RMM: 7 -0.310465921713E+03 0.14033E-03 -0.13555E-04 3873 0.358E-02 0.107E-01 RMM: 8 -0.310465852396E+03 0.69317E-04 -0.46251E-05 3218 0.200E-02 0.392E-02 RMM: 9 -0.310465878572E+03 -0.26176E-04 -0.27175E-05 2739 0.151E-02 0.678E-02 RMM: 10 -0.310465858457E+03 0.20114E-04 -0.19242E-05 2549 0.142E-02 0.220E-02 RMM: 11 -0.310465856851E+03 0.16058E-05 -0.39621E-06 2438 0.590E-03 606 T= 6017. E= 0.67732145E+03 F= 0.62754705E+03 E0= 0.65601395E+03 EK= 0.49774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310971504673E+03 -0.50565E+00 -0.18002E-01 7632 0.238E+01 0.320E-01 RMM: 2 -0.310980589595E+03 -0.90849E-02 -0.92049E-02 4790 0.728E-01 0.635E-01 RMM: 3 -0.310977997515E+03 0.25921E-02 -0.10908E-02 5785 0.199E-01 0.246E-01 RMM: 4 -0.310978588078E+03 -0.59056E-03 -0.16268E-03 5119 0.105E-01 0.437E-01 RMM: 5 -0.310977374585E+03 0.12135E-02 -0.74998E-04 4608 0.741E-02 0.124E-01 RMM: 6 -0.310977355752E+03 0.18833E-04 -0.24395E-04 3903 0.410E-02 0.116E-01 RMM: 7 -0.310977301060E+03 0.54692E-04 -0.76888E-05 3604 0.282E-02 0.780E-02 RMM: 8 -0.310977261463E+03 0.39597E-04 -0.17117E-05 2572 0.129E-02 0.222E-02 RMM: 9 -0.310977267937E+03 -0.64741E-05 -0.96622E-06 2469 0.887E-03 607 T= 6113. E= 0.67800689E+03 F= 0.62743360E+03 E0= 0.65589451E+03 EK= 0.50573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311535104820E+03 -0.55784E+00 -0.18407E-01 7596 0.241E+01 0.390E-01 RMM: 2 -0.311543483538E+03 -0.83787E-02 -0.92320E-02 4794 0.742E-01 0.645E-01 RMM: 3 -0.311541193594E+03 0.22899E-02 -0.11113E-02 5611 0.212E-01 0.344E-01 RMM: 4 -0.311541978096E+03 -0.78450E-03 -0.20028E-03 5200 0.113E-01 0.518E-01 RMM: 5 -0.311540198083E+03 0.17800E-02 -0.99339E-04 4608 0.849E-02 0.113E-01 RMM: 6 -0.311540203291E+03 -0.52073E-05 -0.21719E-04 3893 0.377E-02 0.123E-01 RMM: 7 -0.311540164730E+03 0.38561E-04 -0.76389E-05 3582 0.262E-02 0.100E-01 RMM: 8 -0.311540099976E+03 0.64754E-04 -0.35504E-05 3068 0.181E-02 0.298E-02 RMM: 9 -0.311540116010E+03 -0.16034E-04 -0.18656E-05 2544 0.123E-02 608 T= 6339. E= 0.67970786E+03 F= 0.62727070E+03 E0= 0.65571976E+03 EK= 0.52437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312107120136E+03 -0.56702E+00 -0.18467E-01 8052 0.245E+01 0.396E-01 RMM: 2 -0.312117173948E+03 -0.10054E-01 -0.96338E-02 4783 0.761E-01 0.803E-01 RMM: 3 -0.312113241792E+03 0.39322E-02 -0.11816E-02 5572 0.222E-01 0.307E-01 RMM: 4 -0.312114129181E+03 -0.88739E-03 -0.23586E-03 5261 0.121E-01 0.503E-01 RMM: 5 -0.312112505155E+03 0.16240E-02 -0.10111E-03 4604 0.856E-02 0.154E-01 RMM: 6 -0.312112387609E+03 0.11755E-03 -0.19969E-04 3886 0.363E-02 0.923E-02 RMM: 7 -0.312112405192E+03 -0.17584E-04 -0.78467E-05 3602 0.256E-02 609 T= 6621. E= 0.68187333E+03 F= 0.62709739E+03 E0= 0.65552895E+03 EK= 0.54776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312621817265E+03 -0.50943E+00 -0.18777E-01 7836 0.249E+01 0.433E-01 RMM: 2 -0.312632244394E+03 -0.10427E-01 -0.10403E-01 4796 0.792E-01 0.798E-01 RMM: 3 -0.312628554325E+03 0.36901E-02 -0.12946E-02 5570 0.234E-01 0.367E-01 RMM: 4 -0.312629625172E+03 -0.10708E-02 -0.26098E-03 5292 0.127E-01 0.564E-01 RMM: 5 -0.312627475070E+03 0.21501E-02 -0.12485E-03 4606 0.950E-02 0.130E-01 RMM: 6 -0.312627444922E+03 0.30147E-04 -0.20069E-04 3890 0.355E-02 0.119E-01 RMM: 7 -0.312627419881E+03 0.25041E-04 -0.88584E-05 3740 0.265E-02 0.106E-01 RMM: 8 -0.312627347556E+03 0.72326E-04 -0.50245E-05 3278 0.212E-02 0.319E-02 RMM: 9 -0.312627372233E+03 -0.24678E-04 -0.21149E-05 2588 0.133E-02 0.630E-02 RMM: 10 -0.312627353138E+03 0.19095E-04 -0.13893E-05 2510 0.126E-02 610 T= 6856. E= 0.68369772E+03 F= 0.62698017E+03 E0= 0.65538945E+03 EK= 0.56718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313013842584E+03 -0.38647E+00 -0.18315E-01 8016 0.252E+01 0.375E-01 RMM: 2 -0.313021044691E+03 -0.72021E-02 -0.85431E-02 4896 0.703E-01 0.605E-01 RMM: 3 -0.313019244511E+03 0.18002E-02 -0.10037E-02 5507 0.210E-01 0.366E-01 RMM: 4 -0.313019782106E+03 -0.53759E-03 -0.17920E-03 5093 0.104E-01 0.484E-01 RMM: 5 -0.313018244122E+03 0.15380E-02 -0.82749E-04 4604 0.765E-02 0.128E-01 RMM: 6 -0.313018161761E+03 0.82361E-04 -0.18264E-04 3874 0.345E-02 0.779E-02 RMM: 7 -0.313018141575E+03 0.20185E-04 -0.45793E-05 3210 0.211E-02 0.624E-02 RMM: 8 -0.313018117828E+03 0.23748E-04 -0.18007E-05 2574 0.134E-02 0.236E-02 RMM: 9 -0.313018124209E+03 -0.63817E-05 -0.94275E-06 2474 0.870E-03 611 T= 6942. E= 0.68441690E+03 F= 0.62698841E+03 E0= 0.65537311E+03 EK= 0.57428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313242024512E+03 -0.22391E+00 -0.18003E-01 8136 0.251E+01 0.411E-01 RMM: 2 -0.313249011773E+03 -0.69873E-02 -0.81931E-02 4997 0.698E-01 0.660E-01 RMM: 3 -0.313246857847E+03 0.21539E-02 -0.96212E-03 5509 0.206E-01 0.369E-01 RMM: 4 -0.313247721908E+03 -0.86406E-03 -0.20060E-03 5078 0.111E-01 0.538E-01 RMM: 5 -0.313245787146E+03 0.19348E-02 -0.10054E-03 4607 0.848E-02 0.127E-01 RMM: 6 -0.313245751494E+03 0.35652E-04 -0.23016E-04 3897 0.386E-02 0.115E-01 RMM: 7 -0.313245726089E+03 0.25406E-04 -0.73420E-05 3546 0.260E-02 0.100E-01 RMM: 8 -0.313245661287E+03 0.64802E-04 -0.33108E-05 2989 0.177E-02 0.320E-02 RMM: 9 -0.313245677048E+03 -0.15761E-04 -0.21461E-05 2578 0.133E-02 612 T= 6837. E= 0.68372859E+03 F= 0.62716545E+03 E0= 0.65552520E+03 EK= 0.56563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313312978598E+03 -0.67317E-01 -0.17303E-01 8040 0.248E+01 0.381E-01 RMM: 2 -0.313320033253E+03 -0.70547E-02 -0.84612E-02 5015 0.690E-01 0.591E-01 RMM: 3 -0.313318254512E+03 0.17787E-02 -0.93357E-03 5580 0.194E-01 0.353E-01 RMM: 4 -0.313318988692E+03 -0.73418E-03 -0.20163E-03 5083 0.116E-01 0.511E-01 RMM: 5 -0.313317239659E+03 0.17490E-02 -0.10353E-03 4611 0.867E-02 0.117E-01 RMM: 6 -0.313317257306E+03 -0.17648E-04 -0.23050E-04 3887 0.389E-02 0.134E-01 RMM: 7 -0.313317178327E+03 0.78979E-04 -0.88278E-05 3690 0.295E-02 0.825E-02 RMM: 8 -0.313317137505E+03 0.40822E-04 -0.25794E-05 2803 0.157E-02 0.319E-02 RMM: 9 -0.313317153471E+03 -0.15966E-04 -0.18289E-05 2539 0.124E-02 613 T= 6586. E= 0.68199513E+03 F= 0.62750860E+03 E0= 0.65584492E+03 EK= 0.54487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313275543695E+03 0.41594E-01 -0.16854E-01 8112 0.243E+01 0.381E-01 RMM: 2 -0.313283277269E+03 -0.77336E-02 -0.86789E-02 4999 0.705E-01 0.651E-01 RMM: 3 -0.313280834382E+03 0.24429E-02 -0.96675E-03 5634 0.197E-01 0.311E-01 RMM: 4 -0.313281795008E+03 -0.96063E-03 -0.20874E-03 5155 0.119E-01 0.523E-01 RMM: 5 -0.313279989095E+03 0.18059E-02 -0.10882E-03 4616 0.898E-02 0.131E-01 RMM: 6 -0.313279994764E+03 -0.56691E-05 -0.28117E-04 3908 0.435E-02 0.141E-01 RMM: 7 -0.313279910632E+03 0.84132E-04 -0.11194E-04 3831 0.336E-02 0.918E-02 RMM: 8 -0.313279857872E+03 0.52759E-04 -0.28578E-05 2887 0.165E-02 0.329E-02 RMM: 9 -0.313279873285E+03 -0.15413E-04 -0.20146E-05 2553 0.131E-02 614 T= 6292. E= 0.68002316E+03 F= 0.62797327E+03 E0= 0.65628908E+03 EK= 0.52050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313199023793E+03 0.80834E-01 -0.16645E-01 7836 0.238E+01 0.379E-01 RMM: 2 -0.313207007187E+03 -0.79834E-02 -0.91769E-02 4997 0.722E-01 0.619E-01 RMM: 3 -0.313204871518E+03 0.21357E-02 -0.10308E-02 5737 0.197E-01 0.325E-01 RMM: 4 -0.313205669035E+03 -0.79752E-03 -0.22147E-03 5183 0.124E-01 0.512E-01 RMM: 5 -0.313203953633E+03 0.17154E-02 -0.12301E-03 4621 0.965E-02 0.141E-01 RMM: 6 -0.313203944131E+03 0.95025E-05 -0.30436E-04 3932 0.457E-02 0.144E-01 RMM: 7 -0.313203864594E+03 0.79537E-04 -0.13507E-04 3849 0.364E-02 0.101E-01 RMM: 8 -0.313203799777E+03 0.64818E-04 -0.39202E-05 3100 0.192E-02 0.342E-02 RMM: 9 -0.313203814275E+03 -0.14498E-04 -0.20956E-05 2566 0.135E-02 615 T= 6062. E= 0.67863785E+03 F= 0.62848931E+03 E0= 0.65678860E+03 EK= 0.50149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313155092743E+03 0.48707E-01 -0.15795E-01 7728 0.235E+01 0.388E-01 RMM: 2 -0.313163273311E+03 -0.81806E-02 -0.88946E-02 5008 0.708E-01 0.684E-01 RMM: 3 -0.313160491192E+03 0.27821E-02 -0.99688E-03 5711 0.196E-01 0.302E-01 RMM: 4 -0.313161427347E+03 -0.93616E-03 -0.22938E-03 5208 0.126E-01 0.521E-01 RMM: 5 -0.313159635711E+03 0.17916E-02 -0.12194E-03 4625 0.959E-02 0.128E-01 RMM: 6 -0.313159676408E+03 -0.40696E-04 -0.30551E-04 3936 0.458E-02 0.156E-01 RMM: 7 -0.313159574986E+03 0.10142E-03 -0.12472E-04 3853 0.349E-02 0.103E-01 RMM: 8 -0.313159507101E+03 0.67885E-04 -0.40695E-05 3123 0.192E-02 0.355E-02 RMM: 9 -0.313159521417E+03 -0.14316E-04 -0.21416E-05 2571 0.137E-02 616 T= 5973. E= 0.67839463E+03 F= 0.62898276E+03 E0= 0.65726980E+03 EK= 0.49412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313199471626E+03 -0.39965E-01 -0.15878E-01 7788 0.235E+01 0.393E-01 RMM: 2 -0.313206687680E+03 -0.72161E-02 -0.86826E-02 5079 0.696E-01 0.617E-01 RMM: 3 -0.313204682676E+03 0.20050E-02 -0.95868E-03 5700 0.196E-01 0.345E-01 RMM: 4 -0.313205479348E+03 -0.79667E-03 -0.20729E-03 5073 0.117E-01 0.522E-01 RMM: 5 -0.313203701708E+03 0.17776E-02 -0.11322E-03 4620 0.916E-02 0.146E-01 RMM: 6 -0.313203660884E+03 0.40824E-04 -0.31140E-04 3947 0.456E-02 0.133E-01 RMM: 7 -0.313203589167E+03 0.71717E-04 -0.12463E-04 3851 0.351E-02 0.894E-02 RMM: 8 -0.313203540165E+03 0.49002E-04 -0.26210E-05 2825 0.161E-02 0.344E-02 RMM: 9 -0.313203552978E+03 -0.12812E-04 -0.19524E-05 2544 0.126E-02 617 T= 6057. E= 0.67949662E+03 F= 0.62939150E+03 E0= 0.65767091E+03 EK= 0.50105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313373299158E+03 -0.16976E+00 -0.16383E-01 7956 0.238E+01 0.406E-01 RMM: 2 -0.313381895713E+03 -0.85966E-02 -0.88292E-02 5099 0.705E-01 0.768E-01 RMM: 3 -0.313378371423E+03 0.35243E-02 -0.98107E-03 5669 0.200E-01 0.319E-01 RMM: 4 -0.313379377599E+03 -0.10062E-02 -0.23427E-03 5174 0.123E-01 0.534E-01 RMM: 5 -0.313377503438E+03 0.18742E-02 -0.12468E-03 4618 0.971E-02 0.142E-01 RMM: 6 -0.313377457517E+03 0.45921E-04 -0.25255E-04 3917 0.409E-02 0.124E-01 RMM: 7 -0.313377438755E+03 0.18762E-04 -0.10588E-04 3842 0.304E-02 618 T= 6299. E= 0.68178202E+03 F= 0.62966822E+03 E0= 0.65794548E+03 EK= 0.52114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313704057699E+03 -0.32660E+00 -0.17208E-01 7920 0.243E+01 0.456E-01 RMM: 2 -0.313711887873E+03 -0.78302E-02 -0.94252E-02 5116 0.734E-01 0.703E-01 RMM: 3 -0.313709533564E+03 0.23543E-02 -0.10999E-02 5555 0.221E-01 0.405E-01 RMM: 4 -0.313710552872E+03 -0.10193E-02 -0.23382E-03 5135 0.118E-01 0.594E-01 RMM: 5 -0.313708176959E+03 0.23759E-02 -0.14003E-03 4623 0.102E-01 0.130E-01 RMM: 6 -0.313708246465E+03 -0.69506E-04 -0.31634E-04 3928 0.450E-02 0.173E-01 RMM: 7 -0.313708097128E+03 0.14934E-03 -0.13082E-04 3874 0.348E-02 0.928E-02 RMM: 8 -0.313708050910E+03 0.46218E-04 -0.38804E-05 3093 0.183E-02 0.451E-02 RMM: 9 -0.313708073363E+03 -0.22454E-04 -0.30459E-05 2883 0.158E-02 0.669E-02 RMM: 10 -0.313708053885E+03 0.19479E-04 -0.21139E-05 2612 0.149E-02 619 T= 6637. E= 0.68468876E+03 F= 0.62978224E+03 E0= 0.65806394E+03 EK= 0.54907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314203686102E+03 -0.49561E+00 -0.18526E-01 7872 0.248E+01 0.389E-01 RMM: 2 -0.314215772136E+03 -0.12086E-01 -0.11502E-01 4957 0.813E-01 0.855E-01 RMM: 3 -0.314211269339E+03 0.45028E-02 -0.13211E-02 5736 0.228E-01 0.291E-01 RMM: 4 -0.314212194070E+03 -0.92473E-03 -0.22854E-03 5165 0.119E-01 0.505E-01 RMM: 5 -0.314210548452E+03 0.16456E-02 -0.10439E-03 4613 0.881E-02 0.162E-01 RMM: 6 -0.314210390803E+03 0.15765E-03 -0.25076E-04 3935 0.412E-02 0.738E-02 RMM: 7 -0.314210400921E+03 -0.10118E-04 -0.61818E-05 3414 0.236E-02 620 T= 6957. E= 0.68727140E+03 F= 0.62971826E+03 E0= 0.65801234E+03 EK= 0.57553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314882362879E+03 -0.67197E+00 -0.19141E-01 7932 0.251E+01 0.471E-01 RMM: 2 -0.314891781963E+03 -0.94191E-02 -0.10799E-01 5069 0.796E-01 0.756E-01 RMM: 3 -0.314888931753E+03 0.28502E-02 -0.12505E-02 5588 0.233E-01 0.418E-01 RMM: 4 -0.314889995051E+03 -0.10633E-02 -0.27564E-03 5280 0.129E-01 0.611E-01 RMM: 5 -0.314887467944E+03 0.25271E-02 -0.15540E-03 4626 0.107E-01 0.131E-01 RMM: 6 -0.314887503515E+03 -0.35571E-04 -0.30754E-04 3952 0.445E-02 0.159E-01 RMM: 7 -0.314887427460E+03 0.76055E-04 -0.12781E-04 3878 0.327E-02 0.123E-01 RMM: 8 -0.314887331009E+03 0.96451E-04 -0.60290E-05 3404 0.223E-02 0.398E-02 RMM: 9 -0.314887348869E+03 -0.17860E-04 -0.26920E-05 2806 0.150E-02 621 T= 7131. E= 0.68847009E+03 F= 0.62947698E+03 E0= 0.65779074E+03 EK= 0.58993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315725898300E+03 -0.83857E+00 -0.19839E-01 7920 0.252E+01 0.403E-01 RMM: 2 -0.315738565902E+03 -0.12668E-01 -0.11908E-01 4880 0.828E-01 0.866E-01 RMM: 3 -0.315733747634E+03 0.48183E-02 -0.13867E-02 5671 0.242E-01 0.317E-01 RMM: 4 -0.315734671325E+03 -0.92369E-03 -0.26391E-03 5301 0.129E-01 0.514E-01 RMM: 5 -0.315733004519E+03 0.16668E-02 -0.11750E-03 4627 0.940E-02 0.184E-01 RMM: 6 -0.315732812760E+03 0.19176E-03 -0.28532E-04 3955 0.441E-02 0.915E-02 RMM: 7 -0.315732873560E+03 -0.60800E-04 -0.99713E-05 3749 0.285E-02 0.132E-01 RMM: 8 -0.315732758259E+03 0.11530E-03 -0.48047E-05 3275 0.213E-02 0.293E-02 RMM: 9 -0.315732764557E+03 -0.62978E-05 -0.13438E-05 2510 0.105E-02 622 T= 7081. E= 0.68764575E+03 F= 0.62907095E+03 E0= 0.65741292E+03 EK= 0.58575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316728540664E+03 -0.99578E+00 -0.19261E-01 7920 0.248E+01 0.445E-01 RMM: 2 -0.316741285039E+03 -0.12744E-01 -0.10689E-01 4969 0.779E-01 0.995E-01 RMM: 3 -0.316734632433E+03 0.66526E-02 -0.12199E-02 5530 0.236E-01 0.299E-01 RMM: 4 -0.316735862741E+03 -0.12303E-02 -0.29862E-03 5323 0.140E-01 0.550E-01 RMM: 5 -0.316733898628E+03 0.19641E-02 -0.13410E-03 4626 0.101E-01 0.166E-01 RMM: 6 -0.316733811635E+03 0.86993E-04 -0.27794E-04 3915 0.425E-02 0.131E-01 RMM: 7 -0.316733780294E+03 0.31342E-04 -0.12906E-04 3867 0.344E-02 0.118E-01 RMM: 8 -0.316733692899E+03 0.87395E-04 -0.51926E-05 3317 0.215E-02 0.348E-02 RMM: 9 -0.316733708619E+03 -0.15720E-04 -0.23733E-05 2694 0.143E-02 623 T= 6827. E= 0.68500177E+03 F= 0.62852045E+03 E0= 0.65689768E+03 EK= 0.56481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317867816777E+03 -0.11341E+01 -0.18625E-01 7776 0.243E+01 0.434E-01 RMM: 2 -0.317879089608E+03 -0.11273E-01 -0.11028E-01 4830 0.797E-01 0.841E-01 RMM: 3 -0.317874554226E+03 0.45354E-02 -0.13213E-02 5536 0.247E-01 0.358E-01 RMM: 4 -0.317875718824E+03 -0.11646E-02 -0.30266E-03 5324 0.140E-01 0.566E-01 RMM: 5 -0.317873608755E+03 0.21101E-02 -0.15134E-03 4660 0.107E-01 0.171E-01 RMM: 6 -0.317873509853E+03 0.98902E-04 -0.32335E-04 3925 0.466E-02 0.131E-01 RMM: 7 -0.317873494366E+03 0.15487E-04 -0.14220E-04 3865 0.361E-02 624 T= 6480. E= 0.68145160E+03 F= 0.62784818E+03 E0= 0.65626449E+03 EK= 0.53603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319127905860E+03 -0.12544E+01 -0.17147E-01 7980 0.237E+01 0.492E-01 RMM: 2 -0.319134933255E+03 -0.70274E-02 -0.94831E-02 4911 0.737E-01 0.642E-01 RMM: 3 -0.319133185900E+03 0.17474E-02 -0.11384E-02 5444 0.233E-01 0.484E-01 RMM: 4 -0.319134290355E+03 -0.11045E-02 -0.33233E-03 5290 0.150E-01 0.660E-01 RMM: 5 -0.319131340898E+03 0.29495E-02 -0.18226E-03 4670 0.115E-01 0.117E-01 RMM: 6 -0.319131539288E+03 -0.19839E-03 -0.41074E-04 4242 0.534E-02 0.215E-01 RMM: 7 -0.319131284354E+03 0.25493E-03 -0.17633E-04 3873 0.402E-02 0.990E-02 RMM: 8 -0.319131233529E+03 0.50824E-04 -0.57148E-05 3341 0.219E-02 0.501E-02 RMM: 9 -0.319131271600E+03 -0.38071E-04 -0.36835E-05 2982 0.174E-02 0.808E-02 RMM: 10 -0.319131240685E+03 0.30915E-04 -0.23128E-05 2630 0.153E-02 0.248E-02 RMM: 11 -0.319131238697E+03 0.19878E-05 -0.51624E-06 2447 0.672E-03 625 T= 6165. E= 0.67807707E+03 F= 0.62707777E+03 E0= 0.65553663E+03 EK= 0.50999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320475461727E+03 -0.13442E+01 -0.16924E-01 7824 0.233E+01 0.413E-01 RMM: 2 -0.320487111166E+03 -0.11649E-01 -0.11224E-01 4748 0.793E-01 0.841E-01 RMM: 3 -0.320482432306E+03 0.46789E-02 -0.13273E-02 5563 0.239E-01 0.330E-01 RMM: 4 -0.320483762202E+03 -0.13299E-02 -0.29369E-03 5324 0.140E-01 0.585E-01 RMM: 5 -0.320481638498E+03 0.21237E-02 -0.13481E-03 4630 0.101E-01 0.192E-01 RMM: 6 -0.320481435457E+03 0.20304E-03 -0.36925E-04 4060 0.503E-02 0.990E-02 RMM: 7 -0.320481416754E+03 0.18703E-04 -0.12407E-04 3846 0.351E-02 626 T= 5977. E= 0.67568077E+03 F= 0.62623326E+03 E0= 0.65473512E+03 EK= 0.49448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321884605329E+03 -0.14032E+01 -0.15542E-01 7740 0.231E+01 0.539E-01 RMM: 2 -0.321891213779E+03 -0.66085E-02 -0.84803E-02 4905 0.698E-01 0.804E-01 RMM: 3 -0.321888204704E+03 0.30091E-02 -0.11018E-02 5401 0.236E-01 0.504E-01 RMM: 4 -0.321889889592E+03 -0.16849E-02 -0.36870E-03 5314 0.154E-01 0.730E-01 RMM: 5 -0.321886256336E+03 0.36333E-02 -0.20927E-03 4658 0.124E-01 0.141E-01 RMM: 6 -0.321886318275E+03 -0.61939E-04 -0.41757E-04 4288 0.527E-02 0.181E-01 RMM: 7 -0.321886166312E+03 0.15196E-03 -0.16248E-04 3875 0.380E-02 0.109E-01 RMM: 8 -0.321886099575E+03 0.66737E-04 -0.54136E-05 3332 0.217E-02 0.484E-02 RMM: 9 -0.321886135554E+03 -0.35980E-04 -0.37998E-05 3023 0.173E-02 0.808E-02 RMM: 10 -0.321886103978E+03 0.31577E-04 -0.26244E-05 2752 0.169E-02 0.242E-02 RMM: 11 -0.321886102039E+03 0.19389E-05 -0.46659E-06 2447 0.634E-03 627 T= 5960. E= 0.67465504E+03 F= 0.62534739E+03 E0= 0.65388931E+03 EK= 0.49308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323289573074E+03 -0.14035E+01 -0.16001E-01 7848 0.233E+01 0.438E-01 RMM: 2 -0.323297737519E+03 -0.81644E-02 -0.91153E-02 4796 0.716E-01 0.749E-01 RMM: 3 -0.323294650464E+03 0.30871E-02 -0.11100E-02 5485 0.226E-01 0.414E-01 RMM: 4 -0.323295821107E+03 -0.11706E-02 -0.28290E-03 5301 0.137E-01 0.605E-01 RMM: 5 -0.323293451440E+03 0.23697E-02 -0.12683E-03 4617 0.966E-02 0.154E-01 RMM: 6 -0.323293344939E+03 0.10650E-03 -0.29489E-04 3959 0.443E-02 0.102E-01 RMM: 7 -0.323293313696E+03 0.31243E-04 -0.85024E-05 3683 0.288E-02 0.844E-02 RMM: 8 -0.323293269905E+03 0.43791E-04 -0.22394E-05 2693 0.150E-02 0.268E-02 RMM: 9 -0.323293281243E+03 -0.11338E-04 -0.14996E-05 2501 0.111E-02 628 T= 6110. E= 0.67501103E+03 F= 0.62446510E+03 E0= 0.65304447E+03 EK= 0.50546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324630318941E+03 -0.13370E+01 -0.16026E-01 8292 0.237E+01 0.502E-01 RMM: 2 -0.324635535491E+03 -0.52165E-02 -0.76417E-02 5068 0.652E-01 0.693E-01 RMM: 3 -0.324633876315E+03 0.16592E-02 -0.91188E-03 5430 0.210E-01 0.524E-01 RMM: 4 -0.324634302493E+03 -0.42618E-03 -0.27010E-03 5290 0.131E-01 0.613E-01 RMM: 5 -0.324631816312E+03 0.24862E-02 -0.13932E-03 4611 0.100E-01 0.116E-01 RMM: 6 -0.324631872109E+03 -0.55797E-04 -0.28619E-04 3906 0.431E-02 0.155E-01 RMM: 7 -0.324631760464E+03 0.11164E-03 -0.10043E-04 3735 0.307E-02 0.947E-02 RMM: 8 -0.324631706486E+03 0.53978E-04 -0.36936E-05 3082 0.179E-02 0.375E-02 RMM: 9 -0.324631732299E+03 -0.25813E-04 -0.25015E-05 2694 0.144E-02 0.675E-02 RMM: 10 -0.324631709730E+03 0.22570E-04 -0.18085E-05 2536 0.141E-02 0.210E-02 RMM: 11 -0.324631708337E+03 0.13930E-05 -0.33787E-06 2434 0.534E-03 629 T= 6377. E= 0.67640963E+03 F= 0.62365120E+03 E0= 0.65226285E+03 EK= 0.52758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325817776575E+03 -0.11861E+01 -0.16828E-01 8112 0.242E+01 0.494E-01 RMM: 2 -0.325823976212E+03 -0.61996E-02 -0.85744E-02 5012 0.694E-01 0.718E-01 RMM: 3 -0.325822074635E+03 0.19016E-02 -0.10673E-02 5433 0.229E-01 0.525E-01 RMM: 4 -0.325822935998E+03 -0.86136E-03 -0.28704E-03 5317 0.134E-01 0.650E-01 RMM: 5 -0.325820101980E+03 0.28340E-02 -0.15051E-03 4616 0.104E-01 0.140E-01 RMM: 6 -0.325820058602E+03 0.43378E-04 -0.27079E-04 3897 0.417E-02 0.125E-01 RMM: 7 -0.325819986633E+03 0.71969E-04 -0.82797E-05 3643 0.276E-02 0.837E-02 RMM: 8 -0.325819946601E+03 0.40032E-04 -0.26496E-05 2832 0.157E-02 0.364E-02 RMM: 9 -0.325819964082E+03 -0.17481E-04 -0.22728E-05 2615 0.135E-02 630 T= 6672. E= 0.67817714E+03 F= 0.62298357E+03 E0= 0.65162173E+03 EK= 0.55194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326775673406E+03 -0.95573E+00 -0.17573E-01 8052 0.246E+01 0.492E-01 RMM: 2 -0.326781204000E+03 -0.55306E-02 -0.81263E-02 5119 0.671E-01 0.672E-01 RMM: 3 -0.326779779230E+03 0.14248E-02 -0.95441E-03 5429 0.213E-01 0.520E-01 RMM: 4 -0.326780176916E+03 -0.39769E-03 -0.25602E-03 5287 0.126E-01 0.604E-01 RMM: 5 -0.326777774641E+03 0.24023E-02 -0.13622E-03 4615 0.992E-02 0.142E-01 RMM: 6 -0.326777733808E+03 0.40833E-04 -0.27635E-04 3919 0.426E-02 0.127E-01 RMM: 7 -0.326777698391E+03 0.35417E-04 -0.89397E-05 3666 0.285E-02 0.111E-01 RMM: 8 -0.326777621164E+03 0.77227E-04 -0.39776E-05 3133 0.188E-02 0.341E-02 RMM: 9 -0.326777647920E+03 -0.26756E-04 -0.23476E-05 2660 0.137E-02 0.673E-02 RMM: 10 -0.326777626132E+03 0.21788E-04 -0.17213E-05 2528 0.138E-02 0.213E-02 RMM: 11 -0.326777624660E+03 0.14723E-05 -0.34651E-06 2435 0.546E-03 631 T= 6879. E= 0.67945226E+03 F= 0.62254305E+03 E0= 0.65120019E+03 EK= 0.56909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327442400847E+03 -0.66477E+00 -0.18414E-01 8064 0.248E+01 0.483E-01 RMM: 2 -0.327449311204E+03 -0.69104E-02 -0.10042E-01 5015 0.732E-01 0.599E-01 RMM: 3 -0.327448571235E+03 0.73997E-03 -0.12151E-02 5463 0.231E-01 0.556E-01 RMM: 4 -0.327448475098E+03 0.96137E-04 -0.25863E-03 5279 0.128E-01 0.576E-01 RMM: 5 -0.327446248721E+03 0.22264E-02 -0.12451E-03 4615 0.937E-02 0.119E-01 RMM: 6 -0.327446289042E+03 -0.40321E-04 -0.24702E-04 3889 0.398E-02 0.148E-01 RMM: 7 -0.327446168729E+03 0.12031E-03 -0.92755E-05 3728 0.291E-02 0.820E-02 RMM: 8 -0.327446131096E+03 0.37633E-04 -0.30294E-05 2957 0.164E-02 0.360E-02 RMM: 9 -0.327446149840E+03 -0.18744E-04 -0.22510E-05 2587 0.134E-02 632 T= 6909. E= 0.67955073E+03 F= 0.62239204E+03 E0= 0.65106132E+03 EK= 0.57159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327805811574E+03 -0.35968E+00 -0.17446E-01 8148 0.246E+01 0.489E-01 RMM: 2 -0.327813258699E+03 -0.74471E-02 -0.85841E-02 5000 0.692E-01 0.804E-01 RMM: 3 -0.327809872413E+03 0.33863E-02 -0.10321E-02 5457 0.216E-01 0.438E-01 RMM: 4 -0.327811351433E+03 -0.14790E-02 -0.33216E-03 5270 0.146E-01 0.671E-01 RMM: 5 -0.327808434276E+03 0.29172E-02 -0.17504E-03 4626 0.114E-01 0.166E-01 RMM: 6 -0.327808358283E+03 0.75993E-04 -0.35157E-04 4022 0.485E-02 0.136E-01 RMM: 7 -0.327808335367E+03 0.22916E-04 -0.11914E-04 3835 0.329E-02 0.127E-01 RMM: 8 -0.327808231292E+03 0.10407E-03 -0.47593E-05 3265 0.207E-02 0.361E-02 RMM: 9 -0.327808257557E+03 -0.26265E-04 -0.26607E-05 2791 0.146E-02 0.684E-02 RMM: 10 -0.327808237219E+03 0.20339E-04 -0.19658E-05 2547 0.145E-02 0.202E-02 RMM: 11 -0.327808236198E+03 0.10209E-05 -0.36317E-06 2437 0.555E-03 633 T= 6747. E= 0.67836946E+03 F= 0.62255343E+03 E0= 0.65122743E+03 EK= 0.55816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327888151094E+03 -0.79914E-01 -0.17102E-01 7680 0.242E+01 0.470E-01 RMM: 2 -0.327895787332E+03 -0.76362E-02 -0.10642E-01 4899 0.756E-01 0.579E-01 RMM: 3 -0.327894757914E+03 0.10294E-02 -0.12709E-02 5481 0.236E-01 0.524E-01 RMM: 4 -0.327895050557E+03 -0.29264E-03 -0.29901E-03 5292 0.143E-01 0.600E-01 RMM: 5 -0.327892673976E+03 0.23766E-02 -0.13230E-03 4620 0.960E-02 0.123E-01 RMM: 6 -0.327892780673E+03 -0.10670E-03 -0.34912E-04 4004 0.485E-02 0.182E-01 RMM: 7 -0.327892576433E+03 0.20424E-03 -0.14852E-04 3878 0.374E-02 0.724E-02 RMM: 8 -0.327892552196E+03 0.24237E-04 -0.28993E-05 2894 0.164E-02 0.424E-02 RMM: 9 -0.327892571980E+03 -0.19784E-04 -0.22387E-05 2565 0.135E-02 634 T= 6462. E= 0.67645981E+03 F= 0.62300338E+03 E0= 0.65167760E+03 EK= 0.53456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327755022991E+03 0.13753E+00 -0.15293E-01 8016 0.237E+01 0.471E-01 RMM: 2 -0.327761646050E+03 -0.66231E-02 -0.76608E-02 4973 0.668E-01 0.780E-01 RMM: 3 -0.327758399609E+03 0.32464E-02 -0.92435E-03 5447 0.207E-01 0.414E-01 RMM: 4 -0.327759969883E+03 -0.15703E-02 -0.34139E-03 5239 0.152E-01 0.666E-01 RMM: 5 -0.327757147942E+03 0.28219E-02 -0.18439E-03 4670 0.118E-01 0.181E-01 RMM: 6 -0.327757059229E+03 0.88714E-04 -0.42462E-04 4331 0.537E-02 0.150E-01 RMM: 7 -0.327756994568E+03 0.64661E-04 -0.17044E-04 3875 0.397E-02 0.122E-01 RMM: 8 -0.327756901214E+03 0.93354E-04 -0.51774E-05 3306 0.220E-02 0.399E-02 RMM: 9 -0.327756931002E+03 -0.29789E-04 -0.28834E-05 2810 0.155E-02 0.724E-02 RMM: 10 -0.327756908468E+03 0.22535E-04 -0.20494E-05 2557 0.144E-02 0.237E-02 RMM: 11 -0.327756906870E+03 0.15972E-05 -0.45026E-06 2439 0.622E-03 635 T= 6166. E= 0.67469334E+03 F= 0.62368604E+03 E0= 0.65235619E+03 EK= 0.51007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327464661994E+03 0.29225E+00 -0.14711E-01 7968 0.232E+01 0.472E-01 RMM: 2 -0.327468818008E+03 -0.41560E-02 -0.70953E-02 4959 0.640E-01 0.594E-01 RMM: 3 -0.327467800549E+03 0.10175E-02 -0.90539E-03 5408 0.213E-01 0.499E-01 RMM: 4 -0.327468019619E+03 -0.21907E-03 -0.31403E-03 5245 0.151E-01 0.570E-01 RMM: 5 -0.327465913199E+03 0.21064E-02 -0.13600E-03 4617 0.988E-02 0.136E-01 RMM: 6 -0.327466020756E+03 -0.10756E-03 -0.35363E-04 4053 0.498E-02 0.193E-01 RMM: 7 -0.327465788421E+03 0.23234E-03 -0.17674E-04 3884 0.412E-02 0.758E-02 RMM: 8 -0.327465761955E+03 0.26466E-04 -0.28799E-05 2865 0.167E-02 0.451E-02 RMM: 9 -0.327465778336E+03 -0.16381E-04 -0.29442E-05 2657 0.158E-02 636 T= 5961. E= 0.67384650E+03 F= 0.62453456E+03 E0= 0.65319979E+03 EK= 0.49312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327071919114E+03 0.39384E+00 -0.14027E-01 8460 0.230E+01 0.464E-01 RMM: 2 -0.327075332817E+03 -0.34137E-02 -0.56321E-02 5147 0.577E-01 0.650E-01 RMM: 3 -0.327073725560E+03 0.16073E-02 -0.69027E-03 5394 0.188E-01 0.458E-01 RMM: 4 -0.327074528282E+03 -0.80272E-03 -0.28360E-03 5233 0.140E-01 0.594E-01 RMM: 5 -0.327072206034E+03 0.23222E-02 -0.14485E-03 4623 0.104E-01 0.154E-01 RMM: 6 -0.327072180384E+03 0.25650E-04 -0.35744E-04 4044 0.496E-02 0.150E-01 RMM: 7 -0.327072072922E+03 0.10746E-03 -0.14086E-04 3868 0.372E-02 0.907E-02 RMM: 8 -0.327072027593E+03 0.45329E-04 -0.31582E-05 2948 0.173E-02 0.427E-02 RMM: 9 -0.327072054237E+03 -0.26644E-04 -0.27898E-05 2721 0.153E-02 0.693E-02 RMM: 10 -0.327072032470E+03 0.21767E-04 -0.18589E-05 2551 0.137E-02 0.215E-02 RMM: 11 -0.327072031439E+03 0.10307E-05 -0.38541E-06 2437 0.567E-03 637 T= 5911. E= 0.67438852E+03 F= 0.62548990E+03 E0= 0.65414991E+03 EK= 0.48899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326609978092E+03 0.46205E+00 -0.14208E-01 8148 0.231E+01 0.478E-01 RMM: 2 -0.326613071039E+03 -0.30929E-02 -0.57432E-02 5091 0.577E-01 0.649E-01 RMM: 3 -0.326611758951E+03 0.13121E-02 -0.71882E-03 5378 0.192E-01 0.510E-01 RMM: 4 -0.326612616842E+03 -0.85789E-03 -0.29419E-03 5213 0.143E-01 0.647E-01 RMM: 5 -0.326609871145E+03 0.27457E-02 -0.15838E-03 4625 0.108E-01 0.148E-01 RMM: 6 -0.326609870015E+03 0.11296E-05 -0.33433E-04 4003 0.473E-02 0.157E-01 RMM: 7 -0.326609741309E+03 0.12871E-03 -0.13830E-04 3877 0.364E-02 0.899E-02 RMM: 8 -0.326609694769E+03 0.46540E-04 -0.28960E-05 2895 0.166E-02 0.380E-02 RMM: 9 -0.326609714332E+03 -0.19563E-04 -0.26465E-05 2672 0.148E-02 638 T= 6036. E= 0.67644724E+03 F= 0.62650981E+03 E0= 0.65516637E+03 EK= 0.49937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326098280804E+03 0.51141E+00 -0.14650E-01 8412 0.235E+01 0.463E-01 RMM: 2 -0.326101984868E+03 -0.37041E-02 -0.54537E-02 5160 0.569E-01 0.703E-01 RMM: 3 -0.326099884978E+03 0.20999E-02 -0.70086E-03 5382 0.192E-01 0.454E-01 RMM: 4 -0.326100864339E+03 -0.97936E-03 -0.26334E-03 5269 0.133E-01 0.605E-01 RMM: 5 -0.326098463813E+03 0.24005E-02 -0.13080E-03 4612 0.985E-02 0.160E-01 RMM: 6 -0.326098374503E+03 0.89310E-04 -0.29585E-04 3966 0.443E-02 0.121E-01 RMM: 7 -0.326098359615E+03 0.14889E-04 -0.10366E-04 3797 0.309E-02 639 T= 6313. E= 0.67979559E+03 F= 0.62756725E+03 E0= 0.65622353E+03 EK= 0.52228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325551601473E+03 0.54677E+00 -0.16098E-01 8160 0.240E+01 0.516E-01 RMM: 2 -0.325556760960E+03 -0.51595E-02 -0.70709E-02 5048 0.648E-01 0.771E-01 RMM: 3 -0.325554280793E+03 0.24802E-02 -0.93739E-03 5376 0.219E-01 0.511E-01 RMM: 4 -0.325555799820E+03 -0.15190E-02 -0.33005E-03 5277 0.148E-01 0.708E-01 RMM: 5 -0.325552373963E+03 0.34259E-02 -0.17888E-03 4624 0.114E-01 0.124E-01 RMM: 6 -0.325552481775E+03 -0.10781E-03 -0.30173E-04 3972 0.440E-02 0.186E-01 RMM: 7 -0.325552319282E+03 0.16249E-03 -0.14624E-04 3880 0.357E-02 0.110E-01 RMM: 8 -0.325552251500E+03 0.67782E-04 -0.62688E-05 3433 0.226E-02 0.447E-02 RMM: 9 -0.325552291328E+03 -0.39828E-04 -0.31925E-05 2886 0.164E-02 0.807E-02 RMM: 10 -0.325552256371E+03 0.34957E-04 -0.19917E-05 2556 0.147E-02 0.194E-02 RMM: 11 -0.325552256273E+03 0.97711E-07 -0.44342E-06 2441 0.612E-03 640 T= 6668. E= 0.68380236E+03 F= 0.62864369E+03 E0= 0.65730415E+03 EK= 0.55159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324992722267E+03 0.55953E+00 -0.17236E-01 7908 0.247E+01 0.420E-01 RMM: 2 -0.325001077885E+03 -0.83556E-02 -0.84329E-02 4892 0.700E-01 0.825E-01 RMM: 3 -0.324997034886E+03 0.40430E-02 -0.10040E-02 5441 0.217E-01 0.358E-01 RMM: 4 -0.324998480017E+03 -0.14451E-02 -0.24986E-03 5277 0.126E-01 0.600E-01 RMM: 5 -0.324996126276E+03 0.23537E-02 -0.11634E-03 4607 0.929E-02 0.150E-01 RMM: 6 -0.324996011478E+03 0.11480E-03 -0.25330E-04 3921 0.409E-02 0.894E-02 RMM: 7 -0.324996025424E+03 -0.13946E-04 -0.74490E-05 3592 0.256E-02 641 T= 6980. E= 0.68746093E+03 F= 0.62971499E+03 E0= 0.65838686E+03 EK= 0.57746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324472214710E+03 0.52380E+00 -0.18168E-01 7884 0.250E+01 0.508E-01 RMM: 2 -0.324479549754E+03 -0.73350E-02 -0.82375E-02 5019 0.707E-01 0.850E-01 RMM: 3 -0.324475808579E+03 0.37412E-02 -0.10318E-02 5387 0.230E-01 0.460E-01 RMM: 4 -0.324477733913E+03 -0.19253E-02 -0.33560E-03 5302 0.146E-01 0.719E-01 RMM: 5 -0.324474251652E+03 0.34823E-02 -0.18242E-03 4648 0.115E-01 0.147E-01 RMM: 6 -0.324474245902E+03 0.57497E-05 -0.36956E-04 4110 0.493E-02 0.157E-01 RMM: 7 -0.324474177563E+03 0.68340E-04 -0.15009E-04 3880 0.362E-02 0.128E-01 RMM: 8 -0.324474079135E+03 0.98428E-04 -0.57779E-05 3376 0.223E-02 0.448E-02 RMM: 9 -0.324474106846E+03 -0.27711E-04 -0.35170E-05 3001 0.166E-02 0.737E-02 RMM: 10 -0.324474082951E+03 0.23895E-04 -0.23031E-05 2622 0.158E-02 0.245E-02 RMM: 11 -0.324474080721E+03 0.22293E-05 -0.44666E-06 2441 0.626E-03 642 T= 7127. E= 0.68970146E+03 F= 0.63074163E+03 E0= 0.65943394E+03 EK= 0.58960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324051390676E+03 0.42269E+00 -0.18485E-01 7740 0.250E+01 0.416E-01 RMM: 2 -0.324058510725E+03 -0.71200E-02 -0.88822E-02 4979 0.724E-01 0.650E-01 RMM: 3 -0.324056422985E+03 0.20877E-02 -0.10145E-02 5478 0.216E-01 0.396E-01 RMM: 4 -0.324057258997E+03 -0.83601E-03 -0.24741E-03 5274 0.128E-01 0.547E-01 RMM: 5 -0.324055329374E+03 0.19296E-02 -0.10770E-03 4611 0.886E-02 0.158E-01 RMM: 6 -0.324055230497E+03 0.98877E-04 -0.27879E-04 3936 0.430E-02 0.112E-01 RMM: 7 -0.324055189687E+03 0.40810E-04 -0.10631E-04 3851 0.320E-02 0.850E-02 RMM: 8 -0.324055146302E+03 0.43385E-04 -0.23551E-05 2781 0.154E-02 0.302E-02 RMM: 9 -0.324055156997E+03 -0.10695E-04 -0.15258E-05 2509 0.110E-02 643 T= 7045. E= 0.68994756E+03 F= 0.63166264E+03 E0= 0.66038563E+03 EK= 0.58285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323819613682E+03 0.23553E+00 -0.18027E-01 7896 0.247E+01 0.461E-01 RMM: 2 -0.323828038990E+03 -0.84253E-02 -0.79363E-02 5128 0.688E-01 0.899E-01 RMM: 3 -0.323823106050E+03 0.49329E-02 -0.85854E-03 5417 0.204E-01 0.366E-01 RMM: 4 -0.323824896711E+03 -0.17907E-02 -0.34576E-03 5256 0.153E-01 0.655E-01 RMM: 5 -0.323822101492E+03 0.27952E-02 -0.17290E-03 4637 0.114E-01 0.154E-01 RMM: 6 -0.323822067897E+03 0.33595E-04 -0.34981E-04 4035 0.490E-02 0.151E-01 RMM: 7 -0.323822014866E+03 0.53030E-04 -0.16256E-04 3871 0.388E-02 0.131E-01 RMM: 8 -0.323821908522E+03 0.10634E-03 -0.60700E-05 3413 0.232E-02 0.401E-02 RMM: 9 -0.323821931319E+03 -0.22797E-04 -0.28091E-05 2807 0.155E-02 0.677E-02 RMM: 10 -0.323821913381E+03 0.17938E-04 -0.19781E-05 2545 0.141E-02 644 T= 6778. E= 0.68847727E+03 F= 0.63240341E+03 E0= 0.66116680E+03 EK= 0.56074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323846228675E+03 -0.24297E-01 -0.17785E-01 7584 0.241E+01 0.431E-01 RMM: 2 -0.323853736846E+03 -0.75082E-02 -0.95215E-02 4915 0.761E-01 0.629E-01 RMM: 3 -0.323851877137E+03 0.18597E-02 -0.11116E-02 5510 0.223E-01 0.401E-01 RMM: 4 -0.323852955397E+03 -0.10783E-02 -0.29541E-03 5280 0.145E-01 0.593E-01 RMM: 5 -0.323850643614E+03 0.23118E-02 -0.14538E-03 4634 0.103E-01 0.150E-01 RMM: 6 -0.323850671902E+03 -0.28288E-04 -0.38264E-04 4162 0.514E-02 0.177E-01 RMM: 7 -0.323850506082E+03 0.16582E-03 -0.21073E-04 3880 0.449E-02 0.894E-02 RMM: 8 -0.323850463854E+03 0.42228E-04 -0.32926E-05 2969 0.182E-02 0.428E-02 RMM: 9 -0.323850481927E+03 -0.18073E-04 -0.25507E-05 2598 0.148E-02 645 T= 6445. E= 0.68620819E+03 F= 0.63289369E+03 E0= 0.66170661E+03 EK= 0.53314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324188958492E+03 -0.33849E+00 -0.16765E-01 7992 0.236E+01 0.459E-01 RMM: 2 -0.324194300735E+03 -0.53422E-02 -0.71020E-02 5110 0.671E-01 0.705E-01 RMM: 3 -0.324191918769E+03 0.23820E-02 -0.82880E-03 5391 0.207E-01 0.416E-01 RMM: 4 -0.324193242883E+03 -0.13241E-02 -0.28999E-03 5300 0.141E-01 0.629E-01 RMM: 5 -0.324190689900E+03 0.25530E-02 -0.14841E-03 4629 0.105E-01 0.178E-01 RMM: 6 -0.324190576634E+03 0.11327E-03 -0.37880E-04 4159 0.510E-02 0.139E-01 RMM: 7 -0.324190519809E+03 0.56826E-04 -0.17936E-04 3871 0.413E-02 0.113E-01 RMM: 8 -0.324190444482E+03 0.75326E-04 -0.42313E-05 3151 0.203E-02 0.409E-02 RMM: 9 -0.324190467046E+03 -0.22564E-04 -0.26325E-05 2698 0.149E-02 0.673E-02 RMM: 10 -0.324190449524E+03 0.17523E-04 -0.20377E-05 2540 0.141E-02 646 T= 6172. E= 0.68414553E+03 F= 0.63308588E+03 E0= 0.66195417E+03 EK= 0.51060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324854800160E+03 -0.66433E+00 -0.16558E-01 7560 0.232E+01 0.459E-01 RMM: 2 -0.324863590708E+03 -0.87905E-02 -0.98909E-02 4867 0.767E-01 0.778E-01 RMM: 3 -0.324860272901E+03 0.33178E-02 -0.11474E-02 5566 0.220E-01 0.399E-01 RMM: 4 -0.324861592171E+03 -0.13193E-02 -0.36492E-03 5255 0.161E-01 0.630E-01 RMM: 5 -0.324858993026E+03 0.25991E-02 -0.17941E-03 4677 0.116E-01 0.150E-01 RMM: 6 -0.324859035203E+03 -0.42177E-04 -0.37739E-04 4150 0.507E-02 0.184E-01 RMM: 7 -0.324858871214E+03 0.16399E-03 -0.19422E-04 3874 0.429E-02 0.103E-01 RMM: 8 -0.324858809379E+03 0.61835E-04 -0.45016E-05 3190 0.205E-02 0.413E-02 RMM: 9 -0.324858829070E+03 -0.19690E-04 -0.27133E-05 2685 0.153E-02 647 T= 6047. E= 0.68298285E+03 F= 0.63296065E+03 E0= 0.66188910E+03 EK= 0.50022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325838044472E+03 -0.97924E+00 -0.15951E-01 8076 0.231E+01 0.485E-01 RMM: 2 -0.325843524927E+03 -0.54805E-02 -0.66161E-02 5078 0.649E-01 0.816E-01 RMM: 3 -0.325840154822E+03 0.33701E-02 -0.83353E-03 5374 0.211E-01 0.436E-01 RMM: 4 -0.325841651618E+03 -0.14968E-02 -0.30734E-03 5307 0.143E-01 0.654E-01 RMM: 5 -0.325838850366E+03 0.28013E-02 -0.15227E-03 4622 0.107E-01 0.183E-01 RMM: 6 -0.325838690194E+03 0.16017E-03 -0.35416E-04 4087 0.489E-02 0.117E-01 RMM: 7 -0.325838693494E+03 -0.33002E-05 -0.13653E-04 3879 0.348E-02 648 T= 6100. E= 0.68299590E+03 F= 0.63252953E+03 E0= 0.66151954E+03 EK= 0.50466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327080261669E+03 -0.12416E+01 -0.17080E-01 7836 0.234E+01 0.548E-01 RMM: 2 -0.327086917082E+03 -0.66554E-02 -0.89309E-02 4816 0.743E-01 0.809E-01 RMM: 3 -0.327084147228E+03 0.27699E-02 -0.11587E-02 5388 0.246E-01 0.541E-01 RMM: 4 -0.327085659730E+03 -0.15125E-02 -0.38671E-03 5292 0.158E-01 0.738E-01 RMM: 5 -0.327082012596E+03 0.36471E-02 -0.21469E-03 4656 0.125E-01 0.138E-01 RMM: 6 -0.327082114759E+03 -0.10216E-03 -0.38241E-04 4243 0.496E-02 0.195E-01 RMM: 7 -0.327081967562E+03 0.14720E-03 -0.17117E-04 3877 0.382E-02 0.133E-01 RMM: 8 -0.327081860559E+03 0.10700E-03 -0.78450E-05 3524 0.255E-02 0.440E-02 RMM: 9 -0.327081901768E+03 -0.41209E-04 -0.34631E-05 2962 0.164E-02 0.833E-02 RMM: 10 -0.327081870387E+03 0.31381E-04 -0.24571E-05 2607 0.161E-02 0.293E-02 RMM: 11 -0.327081866497E+03 0.38893E-05 -0.54363E-06 2446 0.694E-03 649 T= 6313. E= 0.68405864E+03 F= 0.63183458E+03 E0= 0.66088653E+03 EK= 0.52224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328511031777E+03 -0.14292E+01 -0.16634E-01 8196 0.239E+01 0.452E-01 RMM: 2 -0.328517711686E+03 -0.66799E-02 -0.73217E-02 5051 0.668E-01 0.843E-01 RMM: 3 -0.328513862724E+03 0.38490E-02 -0.88134E-03 5399 0.211E-01 0.395E-01 RMM: 4 -0.328515199616E+03 -0.13369E-02 -0.26450E-03 5298 0.129E-01 0.611E-01 RMM: 5 -0.328512801060E+03 0.23986E-02 -0.12650E-03 4614 0.976E-02 0.181E-01 RMM: 6 -0.328512604321E+03 0.19674E-03 -0.29141E-04 3965 0.443E-02 0.833E-02 RMM: 7 -0.328512628563E+03 -0.24242E-04 -0.80249E-05 3635 0.269E-02 0.107E-01 RMM: 8 -0.328512549996E+03 0.78568E-04 -0.30733E-05 2960 0.174E-02 0.279E-02 RMM: 9 -0.328512552824E+03 -0.28281E-05 -0.13318E-05 2488 0.103E-02 650 T= 6613. E= 0.68565277E+03 F= 0.63094742E+03 E0= 0.66005936E+03 EK= 0.54705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330036136146E+03 -0.15236E+01 -0.17316E-01 8184 0.244E+01 0.528E-01 RMM: 2 -0.330041455765E+03 -0.53196E-02 -0.67893E-02 5188 0.643E-01 0.870E-01 RMM: 3 -0.330038009355E+03 0.34464E-02 -0.84276E-03 5367 0.211E-01 0.504E-01 RMM: 4 -0.330039382062E+03 -0.13727E-02 -0.30011E-03 5247 0.139E-01 0.696E-01 RMM: 5 -0.330036172456E+03 0.32096E-02 -0.15282E-03 4621 0.106E-01 0.125E-01 RMM: 6 -0.330036219008E+03 -0.46552E-04 -0.30623E-04 3939 0.442E-02 0.161E-01 RMM: 7 -0.330036117956E+03 0.10105E-03 -0.12502E-04 3876 0.329E-02 0.113E-01 RMM: 8 -0.330036041727E+03 0.76229E-04 -0.48555E-05 3265 0.203E-02 0.391E-02 RMM: 9 -0.330036069327E+03 -0.27600E-04 -0.29031E-05 2841 0.153E-02 0.714E-02 RMM: 10 -0.330036046895E+03 0.22432E-04 -0.18668E-05 2547 0.143E-02 0.260E-02 RMM: 11 -0.330036043848E+03 0.30476E-05 -0.38381E-06 2437 0.577E-03 651 T= 6887. E= 0.68693504E+03 F= 0.62996233E+03 E0= 0.65913009E+03 EK= 0.56973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331551421632E+03 -0.15154E+01 -0.18021E-01 7968 0.247E+01 0.504E-01 RMM: 2 -0.331558159517E+03 -0.67379E-02 -0.81386E-02 5002 0.707E-01 0.855E-01 RMM: 3 -0.331554613108E+03 0.35464E-02 -0.10390E-02 5361 0.233E-01 0.467E-01 RMM: 4 -0.331556209272E+03 -0.15962E-02 -0.32169E-03 5306 0.141E-01 0.698E-01 RMM: 5 -0.331553075018E+03 0.31343E-02 -0.17571E-03 4623 0.114E-01 0.174E-01 RMM: 6 -0.331552961327E+03 0.11369E-03 -0.30940E-04 3979 0.446E-02 0.129E-01 RMM: 7 -0.331552942724E+03 0.18603E-04 -0.11745E-04 3857 0.319E-02 652 T= 7016. E= 0.68702493E+03 F= 0.62898240E+03 E0= 0.65820148E+03 EK= 0.58043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332981236853E+03 -0.14283E+01 -0.17944E-01 7836 0.247E+01 0.543E-01 RMM: 2 -0.332985559887E+03 -0.43230E-02 -0.70395E-02 5070 0.654E-01 0.762E-01 RMM: 3 -0.332983588538E+03 0.19713E-02 -0.90384E-03 5353 0.218E-01 0.562E-01 RMM: 4 -0.332984944363E+03 -0.13558E-02 -0.35577E-03 5263 0.153E-01 0.739E-01 RMM: 5 -0.332981366813E+03 0.35776E-02 -0.19656E-03 4617 0.120E-01 0.146E-01 RMM: 6 -0.332981422889E+03 -0.56076E-04 -0.37966E-04 4188 0.498E-02 0.184E-01 RMM: 7 -0.332981320221E+03 0.10267E-03 -0.17753E-04 3877 0.391E-02 0.141E-01 RMM: 8 -0.332981201128E+03 0.11909E-03 -0.77606E-05 3539 0.257E-02 0.465E-02 RMM: 9 -0.332981235801E+03 -0.34673E-04 -0.42111E-05 3122 0.178E-02 0.796E-02 RMM: 10 -0.332981209212E+03 0.26588E-04 -0.27124E-05 2779 0.170E-02 0.291E-02 RMM: 11 -0.332981205593E+03 0.36195E-05 -0.52169E-06 2443 0.683E-03 653 T= 6937. E= 0.68548328E+03 F= 0.62809622E+03 E0= 0.65735872E+03 EK= 0.57387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334269989152E+03 -0.12888E+01 -0.18256E-01 7716 0.244E+01 0.462E-01 RMM: 2 -0.334278177877E+03 -0.81887E-02 -0.85440E-02 4861 0.718E-01 0.877E-01 RMM: 3 -0.334273730553E+03 0.44473E-02 -0.10717E-02 5384 0.229E-01 0.396E-01 RMM: 4 -0.334275504718E+03 -0.17742E-02 -0.34074E-03 5287 0.151E-01 0.672E-01 RMM: 5 -0.334272675743E+03 0.28290E-02 -0.16288E-03 4648 0.111E-01 0.198E-01 RMM: 6 -0.334272465406E+03 0.21034E-03 -0.37777E-04 4152 0.504E-02 0.108E-01 RMM: 7 -0.334272452826E+03 0.12580E-04 -0.13215E-04 3846 0.353E-02 654 T= 6680. E= 0.68262166E+03 F= 0.62735931E+03 E0= 0.65665901E+03 EK= 0.55262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335414090009E+03 -0.11416E+01 -0.17209E-01 7884 0.238E+01 0.572E-01 RMM: 2 -0.335417282455E+03 -0.31924E-02 -0.61941E-02 5069 0.621E-01 0.791E-01 RMM: 3 -0.335415101159E+03 0.21813E-02 -0.84033E-03 5331 0.217E-01 0.584E-01 RMM: 4 -0.335417258574E+03 -0.21574E-02 -0.43495E-03 5163 0.172E-01 0.837E-01 RMM: 5 -0.335412645070E+03 0.46135E-02 -0.25697E-03 4632 0.137E-01 0.139E-01 RMM: 6 -0.335412769071E+03 -0.12400E-03 -0.49563E-04 4535 0.584E-02 0.211E-01 RMM: 7 -0.335412567359E+03 0.20171E-03 -0.22635E-04 3883 0.443E-02 0.128E-01 RMM: 8 -0.335412476388E+03 0.90972E-04 -0.71538E-05 3494 0.248E-02 0.536E-02 RMM: 9 -0.335412517539E+03 -0.41151E-04 -0.53208E-05 3317 0.197E-02 0.864E-02 RMM: 10 -0.335412479302E+03 0.38237E-04 -0.29725E-05 2919 0.172E-02 0.219E-02 RMM: 11 -0.335412478740E+03 0.56230E-06 -0.55979E-06 2443 0.713E-03 655 T= 6350. E= 0.67931905E+03 F= 0.62679087E+03 E0= 0.65611956E+03 EK= 0.52528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336405465656E+03 -0.99299E+00 -0.17292E-01 7860 0.233E+01 0.456E-01 RMM: 2 -0.336410162662E+03 -0.46970E-02 -0.70299E-02 4809 0.659E-01 0.667E-01 RMM: 3 -0.336408301448E+03 0.18612E-02 -0.90556E-03 5354 0.216E-01 0.459E-01 RMM: 4 -0.336409515228E+03 -0.12138E-02 -0.33465E-03 5268 0.154E-01 0.649E-01 RMM: 5 -0.336406870645E+03 0.26446E-02 -0.15535E-03 4636 0.106E-01 0.185E-01 RMM: 6 -0.336406719566E+03 0.15108E-03 -0.38483E-04 4151 0.512E-02 0.126E-01 RMM: 7 -0.336406647969E+03 0.71598E-04 -0.19645E-04 3877 0.440E-02 0.870E-02 RMM: 8 -0.336406606156E+03 0.41813E-04 -0.25039E-05 2696 0.165E-02 0.367E-02 RMM: 9 -0.336406615252E+03 -0.90958E-05 -0.18862E-05 2515 0.129E-02 656 T= 6062. E= 0.67653869E+03 F= 0.62638638E+03 E0= 0.65573670E+03 EK= 0.50152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337261674968E+03 -0.85507E+00 -0.16431E-01 8232 0.229E+01 0.530E-01 RMM: 2 -0.337263532052E+03 -0.18571E-02 -0.51426E-02 5004 0.562E-01 0.681E-01 RMM: 3 -0.337262508447E+03 0.10236E-02 -0.73264E-03 5335 0.202E-01 0.580E-01 RMM: 4 -0.337263628496E+03 -0.11200E-02 -0.32999E-03 5172 0.151E-01 0.739E-01 RMM: 5 -0.337260077312E+03 0.35512E-02 -0.17900E-03 4611 0.114E-01 0.118E-01 RMM: 6 -0.337260187755E+03 -0.11044E-03 -0.35598E-04 4058 0.489E-02 0.186E-01 RMM: 7 -0.337260005720E+03 0.18203E-03 -0.16445E-04 3872 0.396E-02 0.958E-02 RMM: 8 -0.337259957538E+03 0.48182E-04 -0.44400E-05 3185 0.198E-02 0.480E-02 RMM: 9 -0.337259988748E+03 -0.31210E-04 -0.35296E-05 2959 0.169E-02 0.775E-02 RMM: 10 -0.337259959441E+03 0.29307E-04 -0.23091E-05 2646 0.154E-02 0.212E-02 RMM: 11 -0.337259958341E+03 0.10995E-05 -0.40844E-06 2435 0.589E-03 657 T= 5903. E= 0.67497138E+03 F= 0.62613665E+03 E0= 0.65549868E+03 EK= 0.48835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337965624010E+03 -0.70566E+00 -0.16276E-01 8088 0.229E+01 0.527E-01 RMM: 2 -0.337967378092E+03 -0.17541E-02 -0.60360E-02 4923 0.600E-01 0.589E-01 RMM: 3 -0.337967575244E+03 -0.19715E-03 -0.90778E-03 5336 0.224E-01 0.650E-01 RMM: 4 -0.337967195735E+03 0.37951E-03 -0.34211E-03 5174 0.158E-01 0.629E-01 RMM: 5 -0.337964590916E+03 0.26048E-02 -0.14079E-03 4612 0.996E-02 0.117E-01 RMM: 6 -0.337964708022E+03 -0.11711E-03 -0.33869E-04 4032 0.479E-02 0.189E-01 RMM: 7 -0.337964492888E+03 0.21513E-03 -0.17410E-04 3878 0.405E-02 0.703E-02 RMM: 8 -0.337964473620E+03 0.19268E-04 -0.26419E-05 2726 0.160E-02 658 T= 5911. E= 0.67494027E+03 F= 0.62604168E+03 E0= 0.65540708E+03 EK= 0.48899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338493520099E+03 -0.52903E+00 -0.15833E-01 7848 0.231E+01 0.559E-01 RMM: 2 -0.338500328291E+03 -0.68082E-02 -0.57897E-02 5003 0.587E-01 0.107E+00 RMM: 3 -0.338493903085E+03 0.64252E-02 -0.97257E-03 5337 0.237E-01 0.497E-01 RMM: 4 -0.338496211999E+03 -0.23089E-02 -0.41927E-03 5248 0.160E-01 0.777E-01 RMM: 5 -0.338492374163E+03 0.38378E-02 -0.21736E-03 4614 0.128E-01 0.230E-01 RMM: 6 -0.338492071780E+03 0.30238E-03 -0.41046E-04 4275 0.529E-02 0.108E-01 RMM: 7 -0.338492139511E+03 -0.67731E-04 -0.14052E-04 3863 0.332E-02 0.152E-01 RMM: 8 -0.338491996620E+03 0.14289E-03 -0.67282E-05 3486 0.248E-02 0.446E-02 RMM: 9 -0.338492015928E+03 -0.19309E-04 -0.34195E-05 2990 0.164E-02 659 T= 6081. E= 0.67642747E+03 F= 0.62612020E+03 E0= 0.65547740E+03 EK= 0.50307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338805141061E+03 -0.31314E+00 -0.16298E-01 8148 0.236E+01 0.548E-01 RMM: 2 -0.338815896327E+03 -0.10755E-01 -0.60137E-02 5057 0.618E-01 0.132E+00 RMM: 3 -0.338805289447E+03 0.10607E-01 -0.10910E-02 5338 0.256E-01 0.452E-01 RMM: 4 -0.338807720869E+03 -0.24314E-02 -0.41327E-03 5176 0.158E-01 0.765E-01 RMM: 5 -0.338803988711E+03 0.37322E-02 -0.20391E-03 4620 0.124E-01 0.205E-01 RMM: 6 -0.338803761832E+03 0.22688E-03 -0.32957E-04 3980 0.471E-02 0.107E-01 RMM: 7 -0.338803803857E+03 -0.42025E-04 -0.13599E-04 3861 0.336E-02 0.140E-01 RMM: 8 -0.338803682991E+03 0.12087E-03 -0.59055E-05 3393 0.231E-02 0.424E-02 RMM: 9 -0.338803686470E+03 -0.34785E-05 -0.20876E-05 2575 0.130E-02 660 T= 6367. E= 0.67907606E+03 F= 0.62640326E+03 E0= 0.65574233E+03 EK= 0.52673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338863434883E+03 -0.59752E-01 -0.17006E-01 7752 0.243E+01 0.526E-01 RMM: 2 -0.338868672778E+03 -0.52379E-02 -0.63886E-02 5008 0.610E-01 0.881E-01 RMM: 3 -0.338864897591E+03 0.37752E-02 -0.89736E-03 5357 0.218E-01 0.494E-01 RMM: 4 -0.338866329231E+03 -0.14316E-02 -0.33102E-03 5286 0.144E-01 0.695E-01 RMM: 5 -0.338863242983E+03 0.30862E-02 -0.16858E-03 4609 0.112E-01 0.176E-01 RMM: 6 -0.338863101607E+03 0.14138E-03 -0.30542E-04 3997 0.449E-02 0.115E-01 RMM: 7 -0.338863124672E+03 -0.23065E-04 -0.11871E-04 3852 0.314E-02 0.136E-01 RMM: 8 -0.338863007981E+03 0.11669E-03 -0.60325E-05 3417 0.229E-02 0.405E-02 RMM: 9 -0.338863023992E+03 -0.16011E-04 -0.26661E-05 2789 0.147E-02 661 T= 6680. E= 0.68218404E+03 F= 0.62692346E+03 E0= 0.65623457E+03 EK= 0.55261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338657546780E+03 0.20546E+00 -0.17833E-01 7992 0.248E+01 0.528E-01 RMM: 2 -0.338669768168E+03 -0.12221E-01 -0.69550E-02 5024 0.651E-01 0.131E+00 RMM: 3 -0.338658669254E+03 0.11099E-01 -0.10420E-02 5348 0.240E-01 0.373E-01 RMM: 4 -0.338661228092E+03 -0.25588E-02 -0.39985E-03 5208 0.159E-01 0.740E-01 RMM: 5 -0.338657817064E+03 0.34110E-02 -0.17507E-03 4616 0.114E-01 0.210E-01 RMM: 6 -0.338657567591E+03 0.24947E-03 -0.32192E-04 4000 0.454E-02 0.103E-01 RMM: 7 -0.338657607254E+03 -0.39662E-04 -0.13475E-04 3868 0.335E-02 0.133E-01 RMM: 8 -0.338657494238E+03 0.11302E-03 -0.58066E-05 3384 0.229E-02 0.357E-02 RMM: 9 -0.338657516552E+03 -0.22314E-04 -0.24336E-05 2687 0.140E-02 0.649E-02 RMM: 10 -0.338657503487E+03 0.13065E-04 -0.16087E-05 2525 0.128E-02 662 T= 6906. E= 0.68482803E+03 F= 0.62769430E+03 E0= 0.65697083E+03 EK= 0.57134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338218781943E+03 0.43873E+00 -0.18378E-01 7560 0.250E+01 0.480E-01 RMM: 2 -0.338223760367E+03 -0.49784E-02 -0.74074E-02 5017 0.658E-01 0.696E-01 RMM: 3 -0.338221926566E+03 0.18338E-02 -0.93516E-03 5383 0.216E-01 0.490E-01 RMM: 4 -0.338222605362E+03 -0.67880E-03 -0.28701E-03 5266 0.136E-01 0.604E-01 RMM: 5 -0.338220190057E+03 0.24153E-02 -0.15145E-03 4618 0.105E-01 0.140E-01 RMM: 6 -0.338220198546E+03 -0.84896E-05 -0.26375E-04 3900 0.415E-02 0.150E-01 RMM: 7 -0.338220112505E+03 0.86041E-04 -0.12842E-04 3870 0.343E-02 0.109E-01 RMM: 8 -0.338220039916E+03 0.72589E-04 -0.49428E-05 3273 0.206E-02 0.384E-02 RMM: 9 -0.338220057076E+03 -0.17160E-04 -0.25317E-05 2703 0.146E-02 663 T= 6956. E= 0.68622971E+03 F= 0.62868775E+03 E0= 0.65792717E+03 EK= 0.57542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337634574995E+03 0.58546E+00 -0.18293E-01 7920 0.249E+01 0.487E-01 RMM: 2 -0.337643714867E+03 -0.91399E-02 -0.68939E-02 5045 0.657E-01 0.107E+00 RMM: 3 -0.337636387229E+03 0.73276E-02 -0.87284E-03 5380 0.214E-01 0.342E-01 RMM: 4 -0.337638440716E+03 -0.20535E-02 -0.35104E-03 5244 0.154E-01 0.677E-01 RMM: 5 -0.337635499971E+03 0.29407E-02 -0.16747E-03 4608 0.111E-01 0.159E-01 RMM: 6 -0.337635466180E+03 0.33791E-04 -0.36332E-04 4102 0.492E-02 0.153E-01 RMM: 7 -0.337635410510E+03 0.55670E-04 -0.15683E-04 3875 0.378E-02 0.129E-01 RMM: 8 -0.337635306288E+03 0.10422E-03 -0.54591E-05 3347 0.221E-02 0.380E-02 RMM: 9 -0.337635330857E+03 -0.24570E-04 -0.26177E-05 2735 0.148E-02 0.671E-02 RMM: 10 -0.337635314146E+03 0.16711E-04 -0.18304E-05 2540 0.134E-02 664 T= 6813. E= 0.68618389E+03 F= 0.62982594E+03 E0= 0.65902959E+03 EK= 0.56358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337019451171E+03 0.61588E+00 -0.18533E-01 7488 0.246E+01 0.448E-01 RMM: 2 -0.337025877080E+03 -0.64259E-02 -0.93441E-02 4937 0.738E-01 0.561E-01 RMM: 3 -0.337024909673E+03 0.96741E-03 -0.11027E-02 5464 0.221E-01 0.467E-01 RMM: 4 -0.337025542287E+03 -0.63261E-03 -0.30064E-03 5231 0.146E-01 0.597E-01 RMM: 5 -0.337023192860E+03 0.23494E-02 -0.14744E-03 4613 0.102E-01 0.126E-01 RMM: 6 -0.337023352188E+03 -0.15933E-03 -0.43628E-04 4440 0.559E-02 0.210E-01 RMM: 7 -0.337023084677E+03 0.26751E-03 -0.20303E-04 3888 0.421E-02 0.776E-02 RMM: 8 -0.337023059412E+03 0.25265E-04 -0.30557E-05 2898 0.172E-02 0.498E-02 RMM: 9 -0.337023076466E+03 -0.17054E-04 -0.34222E-05 2716 0.171E-02 665 T= 6548. E= 0.68516099E+03 F= 0.63099499E+03 E0= 0.66016987E+03 EK= 0.54166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336501878107E+03 0.52118E+00 -0.17644E-01 7824 0.241E+01 0.455E-01 RMM: 2 -0.336507984554E+03 -0.61064E-02 -0.72613E-02 5002 0.680E-01 0.768E-01 RMM: 3 -0.336504845918E+03 0.31386E-02 -0.83524E-03 5418 0.201E-01 0.372E-01 RMM: 4 -0.336506332689E+03 -0.14868E-02 -0.33308E-03 5200 0.153E-01 0.634E-01 RMM: 5 -0.336503738706E+03 0.25940E-02 -0.17090E-03 4619 0.112E-01 0.148E-01 RMM: 6 -0.336503802553E+03 -0.63847E-04 -0.46017E-04 4461 0.565E-02 0.190E-01 RMM: 7 -0.336503603380E+03 0.19917E-03 -0.20734E-04 3891 0.431E-02 0.895E-02 RMM: 8 -0.336503561415E+03 0.41965E-04 -0.31126E-05 2911 0.177E-02 0.448E-02 RMM: 9 -0.336503586513E+03 -0.25099E-04 -0.32852E-05 2804 0.165E-02 0.701E-02 RMM: 10 -0.336503563850E+03 0.22663E-04 -0.21237E-05 2573 0.142E-02 0.172E-02 RMM: 11 -0.336503565413E+03 -0.15630E-05 -0.47917E-06 2433 0.657E-03 666 T= 6275. E= 0.68398489E+03 F= 0.63207767E+03 E0= 0.66123273E+03 EK= 0.51907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336162019223E+03 0.34154E+00 -0.17757E-01 7524 0.237E+01 0.467E-01 RMM: 2 -0.336169314422E+03 -0.72952E-02 -0.10017E-01 4845 0.770E-01 0.629E-01 RMM: 3 -0.336167712691E+03 0.16017E-02 -0.11759E-02 5472 0.227E-01 0.464E-01 RMM: 4 -0.336168421680E+03 -0.70899E-03 -0.34915E-03 5242 0.159E-01 0.615E-01 RMM: 5 -0.336166015984E+03 0.24057E-02 -0.16048E-03 4617 0.107E-01 0.161E-01 RMM: 6 -0.336166068685E+03 -0.52702E-04 -0.46007E-04 4504 0.562E-02 0.196E-01 RMM: 7 -0.336165829122E+03 0.23956E-03 -0.24121E-04 3889 0.466E-02 0.709E-02 RMM: 8 -0.336165809761E+03 0.19361E-04 -0.28833E-05 2857 0.175E-02 667 T= 6095. E= 0.68340550E+03 F= 0.63298394E+03 E0= 0.66213062E+03 EK= 0.50422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336049252384E+03 0.11658E+00 -0.16534E-01 7896 0.235E+01 0.513E-01 RMM: 2 -0.336058424287E+03 -0.91719E-02 -0.71018E-02 4952 0.662E-01 0.109E+00 RMM: 3 -0.336051485560E+03 0.69387E-02 -0.10324E-02 5341 0.239E-01 0.428E-01 RMM: 4 -0.336053340543E+03 -0.18550E-02 -0.38067E-03 5291 0.154E-01 0.690E-01 RMM: 5 -0.336050403362E+03 0.29372E-02 -0.19577E-03 4647 0.122E-01 0.243E-01 RMM: 6 -0.336050097366E+03 0.30600E-03 -0.46325E-04 4518 0.559E-02 0.127E-01 RMM: 7 -0.336050139305E+03 -0.41939E-04 -0.17130E-04 3874 0.374E-02 0.153E-01 RMM: 8 -0.336049993648E+03 0.14566E-03 -0.65797E-05 3472 0.249E-02 0.453E-02 RMM: 9 -0.336050015746E+03 -0.22098E-04 -0.32102E-05 2922 0.160E-02 0.697E-02 RMM: 10 -0.336050005194E+03 0.10552E-04 -0.20957E-05 2552 0.146E-02 668 T= 6067. E= 0.68386346E+03 F= 0.63366915E+03 E0= 0.66281489E+03 EK= 0.50194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336146927410E+03 -0.96912E-01 -0.16756E-01 7800 0.236E+01 0.486E-01 RMM: 2 -0.336158712208E+03 -0.11785E-01 -0.81031E-02 4865 0.713E-01 0.119E+00 RMM: 3 -0.336149985565E+03 0.87266E-02 -0.11450E-02 5335 0.251E-01 0.376E-01 RMM: 4 -0.336151634284E+03 -0.16487E-02 -0.35488E-03 5298 0.146E-01 0.640E-01 RMM: 5 -0.336148942909E+03 0.26914E-02 -0.18437E-03 4664 0.119E-01 0.171E-01 RMM: 6 -0.336148890191E+03 0.52718E-04 -0.36731E-04 4067 0.494E-02 0.156E-01 RMM: 7 -0.336148850654E+03 0.39537E-04 -0.14361E-04 3866 0.351E-02 0.139E-01 RMM: 8 -0.336148727260E+03 0.12339E-03 -0.62387E-05 3445 0.233E-02 0.376E-02 RMM: 9 -0.336148731264E+03 -0.40039E-05 -0.18333E-05 2539 0.123E-02 669 T= 6201. E= 0.68543578E+03 F= 0.63413468E+03 E0= 0.66328817E+03 EK= 0.51301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336413510707E+03 -0.26478E+00 -0.17610E-01 7608 0.240E+01 0.514E-01 RMM: 2 -0.336422092576E+03 -0.85819E-02 -0.87337E-02 4856 0.734E-01 0.953E-01 RMM: 3 -0.336417238179E+03 0.48544E-02 -0.11700E-02 5351 0.244E-01 0.445E-01 RMM: 4 -0.336418957300E+03 -0.17191E-02 -0.30875E-03 5312 0.137E-01 0.687E-01 RMM: 5 -0.336415851174E+03 0.31061E-02 -0.14483E-03 4614 0.103E-01 0.168E-01 RMM: 6 -0.336415770503E+03 0.80671E-04 -0.35847E-04 4113 0.478E-02 0.137E-01 RMM: 7 -0.336415759845E+03 0.10658E-04 -0.12536E-04 3848 0.319E-02 670 T= 6456. E= 0.68782809E+03 F= 0.63442169E+03 E0= 0.66358781E+03 EK= 0.53406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336776382663E+03 -0.36061E+00 -0.18209E-01 7584 0.245E+01 0.535E-01 RMM: 2 -0.336784562963E+03 -0.81803E-02 -0.97301E-02 4871 0.763E-01 0.863E-01 RMM: 3 -0.336781116974E+03 0.34460E-02 -0.11878E-02 5372 0.239E-01 0.504E-01 RMM: 4 -0.336782805626E+03 -0.16887E-02 -0.36709E-03 5265 0.150E-01 0.736E-01 RMM: 5 -0.336779227555E+03 0.35781E-02 -0.20342E-03 4612 0.121E-01 0.139E-01 RMM: 6 -0.336779328505E+03 -0.10095E-03 -0.40403E-04 4289 0.503E-02 0.194E-01 RMM: 7 -0.336779163797E+03 0.16471E-03 -0.15074E-04 3876 0.345E-02 0.116E-01 RMM: 8 -0.336779085996E+03 0.77800E-04 -0.53680E-05 3329 0.213E-02 0.467E-02 RMM: 9 -0.336779117229E+03 -0.31233E-04 -0.37710E-05 3040 0.169E-02 0.764E-02 RMM: 10 -0.336779091082E+03 0.26148E-04 -0.24553E-05 2723 0.163E-02 0.239E-02 RMM: 11 -0.336779089383E+03 0.16983E-05 -0.44792E-06 2437 0.624E-03 671 T= 6743. E= 0.69038481E+03 F= 0.63460016E+03 E0= 0.66378132E+03 EK= 0.55785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337159479305E+03 -0.38039E+00 -0.19477E-01 7668 0.249E+01 0.461E-01 RMM: 2 -0.337169934000E+03 -0.10455E-01 -0.11663E-01 4804 0.826E-01 0.825E-01 RMM: 3 -0.337166327816E+03 0.36062E-02 -0.13510E-02 5416 0.247E-01 0.432E-01 RMM: 4 -0.337167550818E+03 -0.12230E-02 -0.27776E-03 5308 0.130E-01 0.631E-01 RMM: 5 -0.337164959273E+03 0.25915E-02 -0.12717E-03 4606 0.947E-02 0.144E-01 RMM: 6 -0.337164887903E+03 0.71370E-04 -0.29436E-04 3921 0.431E-02 0.110E-01 RMM: 7 -0.337164851954E+03 0.35949E-04 -0.74404E-05 3550 0.258E-02 0.912E-02 RMM: 8 -0.337164797231E+03 0.54723E-04 -0.25973E-05 2808 0.156E-02 0.258E-02 RMM: 9 -0.337164804546E+03 -0.73147E-05 -0.14619E-05 2486 0.109E-02 672 T= 6949. E= 0.69223482E+03 F= 0.63474601E+03 E0= 0.66394249E+03 EK= 0.57489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337518056526E+03 -0.35326E+00 -0.19451E-01 7632 0.250E+01 0.504E-01 RMM: 2 -0.337526005170E+03 -0.79486E-02 -0.10037E-01 4962 0.763E-01 0.766E-01 RMM: 3 -0.337523517492E+03 0.24877E-02 -0.11711E-02 5387 0.233E-01 0.502E-01 RMM: 4 -0.337524639861E+03 -0.11224E-02 -0.30892E-03 5288 0.137E-01 0.673E-01 RMM: 5 -0.337521682773E+03 0.29571E-02 -0.16180E-03 4628 0.108E-01 0.158E-01 RMM: 6 -0.337521638277E+03 0.44496E-04 -0.36839E-04 4101 0.488E-02 0.145E-01 RMM: 7 -0.337521575864E+03 0.62413E-04 -0.12194E-04 3859 0.318E-02 0.117E-01 RMM: 8 -0.337521492272E+03 0.83592E-04 -0.46114E-05 3234 0.202E-02 0.403E-02 RMM: 9 -0.337521519817E+03 -0.27544E-04 -0.30038E-05 2872 0.153E-02 0.725E-02 RMM: 10 -0.337521496021E+03 0.23796E-04 -0.21013E-05 2564 0.152E-02 0.240E-02 RMM: 11 -0.337521494129E+03 0.18919E-05 -0.41515E-06 2436 0.597E-03 673 T= 6981. E= 0.69267003E+03 F= 0.63491595E+03 E0= 0.66412609E+03 EK= 0.57754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337835241374E+03 -0.31375E+00 -0.19435E-01 7524 0.248E+01 0.473E-01 RMM: 2 -0.337843905103E+03 -0.86637E-02 -0.99061E-02 4937 0.755E-01 0.811E-01 RMM: 3 -0.337840372282E+03 0.35328E-02 -0.11245E-02 5401 0.228E-01 0.418E-01 RMM: 4 -0.337841761567E+03 -0.13893E-02 -0.31704E-03 5290 0.142E-01 0.650E-01 RMM: 5 -0.337839049914E+03 0.27117E-02 -0.15777E-03 4621 0.107E-01 0.154E-01 RMM: 6 -0.337839050545E+03 -0.63070E-06 -0.32459E-04 4001 0.454E-02 0.162E-01 RMM: 7 -0.337838937155E+03 0.11339E-03 -0.12759E-04 3853 0.343E-02 0.104E-01 RMM: 8 -0.337838870957E+03 0.66198E-04 -0.41753E-05 3173 0.192E-02 0.344E-02 RMM: 9 -0.337838892733E+03 -0.21777E-04 -0.24265E-05 2637 0.139E-02 0.623E-02 RMM: 10 -0.337838876402E+03 0.16331E-04 -0.18017E-05 2521 0.138E-02 674 T= 6823. E= 0.69156907E+03 F= 0.63512712E+03 E0= 0.66434860E+03 EK= 0.56442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338142161463E+03 -0.30327E+00 -0.18742E-01 7488 0.243E+01 0.455E-01 RMM: 2 -0.338147877114E+03 -0.57157E-02 -0.91307E-02 4912 0.729E-01 0.513E-01 RMM: 3 -0.338147824186E+03 0.52928E-04 -0.10507E-02 5381 0.223E-01 0.543E-01 RMM: 4 -0.338147608441E+03 0.21575E-03 -0.25257E-03 5293 0.128E-01 0.552E-01 RMM: 5 -0.338145643814E+03 0.19646E-02 -0.12391E-03 4608 0.928E-02 0.127E-01 RMM: 6 -0.338145767668E+03 -0.12385E-03 -0.36610E-04 4065 0.494E-02 0.193E-01 RMM: 7 -0.338145551633E+03 0.21604E-03 -0.15501E-04 3861 0.379E-02 0.801E-02 RMM: 8 -0.338145518966E+03 0.32666E-04 -0.28846E-05 2840 0.162E-02 0.428E-02 RMM: 9 -0.338145544111E+03 -0.25145E-04 -0.27006E-05 2681 0.148E-02 0.689E-02 RMM: 10 -0.338145521477E+03 0.22635E-04 -0.20829E-05 2584 0.144E-02 0.182E-02 RMM: 11 -0.338145521834E+03 -0.35717E-06 -0.41992E-06 2432 0.600E-03 675 T= 6543. E= 0.68948370E+03 F= 0.63535694E+03 E0= 0.66458791E+03 EK= 0.54127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338486383876E+03 -0.34086E+00 -0.17800E-01 7716 0.237E+01 0.468E-01 RMM: 2 -0.338492321468E+03 -0.59376E-02 -0.83969E-02 4926 0.714E-01 0.667E-01 RMM: 3 -0.338490556546E+03 0.17649E-02 -0.97626E-03 5378 0.219E-01 0.463E-01 RMM: 4 -0.338491604397E+03 -0.10479E-02 -0.31399E-03 5276 0.146E-01 0.645E-01 RMM: 5 -0.338488912615E+03 0.26918E-02 -0.16927E-03 4629 0.111E-01 0.147E-01 RMM: 6 -0.338488994398E+03 -0.81783E-04 -0.42684E-04 4332 0.532E-02 0.192E-01 RMM: 7 -0.338488783550E+03 0.21085E-03 -0.17359E-04 3879 0.396E-02 0.863E-02 RMM: 8 -0.338488742831E+03 0.40719E-04 -0.28702E-05 2858 0.168E-02 0.409E-02 RMM: 9 -0.338488765793E+03 -0.22962E-04 -0.28195E-05 2741 0.149E-02 0.670E-02 RMM: 10 -0.338488744727E+03 0.21066E-04 -0.22359E-05 2591 0.150E-02 0.165E-02 RMM: 11 -0.338488745801E+03 -0.10734E-05 -0.45175E-06 2431 0.633E-03 676 T= 6254. E= 0.68729802E+03 F= 0.63556111E+03 E0= 0.66480066E+03 EK= 0.51737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338908130686E+03 -0.41939E+00 -0.17403E-01 7752 0.232E+01 0.460E-01 RMM: 2 -0.338913441962E+03 -0.53113E-02 -0.86166E-02 4942 0.707E-01 0.536E-01 RMM: 3 -0.338913030926E+03 0.41104E-03 -0.98611E-03 5381 0.217E-01 0.520E-01 RMM: 4 -0.338913119652E+03 -0.88726E-04 -0.27455E-03 5266 0.136E-01 0.577E-01 RMM: 5 -0.338910979083E+03 0.21406E-02 -0.13391E-03 4608 0.972E-02 0.129E-01 RMM: 6 -0.338911129266E+03 -0.15018E-03 -0.37932E-04 4141 0.509E-02 0.205E-01 RMM: 7 -0.338910878971E+03 0.25030E-03 -0.16734E-04 3872 0.393E-02 0.801E-02 RMM: 8 -0.338910846144E+03 0.32827E-04 -0.30504E-05 2903 0.167E-02 0.429E-02 RMM: 9 -0.338910869816E+03 -0.23672E-04 -0.28327E-05 2644 0.152E-02 0.659E-02 RMM: 10 -0.338910849065E+03 0.20750E-04 -0.19534E-05 2557 0.138E-02 0.190E-02 RMM: 11 -0.338910849244E+03 -0.17865E-06 -0.42550E-06 2433 0.605E-03 677 T= 6056. E= 0.68579707E+03 F= 0.63569628E+03 E0= 0.66494397E+03 EK= 0.50101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339427847912E+03 -0.51700E+00 -0.17505E-01 7776 0.230E+01 0.472E-01 RMM: 2 -0.339433352699E+03 -0.55048E-02 -0.80561E-02 4932 0.692E-01 0.658E-01 RMM: 3 -0.339431709989E+03 0.16427E-02 -0.94193E-03 5373 0.215E-01 0.474E-01 RMM: 4 -0.339432723240E+03 -0.10133E-02 -0.29607E-03 5253 0.141E-01 0.647E-01 RMM: 5 -0.339429997022E+03 0.27262E-02 -0.15557E-03 4619 0.106E-01 0.137E-01 RMM: 6 -0.339430078292E+03 -0.81270E-04 -0.39474E-04 4146 0.512E-02 0.184E-01 RMM: 7 -0.339429888230E+03 0.19006E-03 -0.16035E-04 3874 0.384E-02 0.856E-02 RMM: 8 -0.339429848008E+03 0.40222E-04 -0.29445E-05 2898 0.167E-02 0.402E-02 RMM: 9 -0.339429872463E+03 -0.24455E-04 -0.27031E-05 2726 0.145E-02 0.682E-02 RMM: 10 -0.339429850493E+03 0.21970E-04 -0.22212E-05 2582 0.149E-02 0.165E-02 RMM: 11 -0.339429851255E+03 -0.76236E-06 -0.44698E-06 2432 0.633E-03 678 T= 6008. E= 0.68544289E+03 F= 0.63573968E+03 E0= 0.66499550E+03 EK= 0.49703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340028363533E+03 -0.59851E+00 -0.17827E-01 7644 0.232E+01 0.480E-01 RMM: 2 -0.340033682438E+03 -0.53189E-02 -0.83726E-02 4910 0.697E-01 0.623E-01 RMM: 3 -0.340032730236E+03 0.95220E-03 -0.99676E-03 5383 0.220E-01 0.530E-01 RMM: 4 -0.340033387664E+03 -0.65743E-03 -0.27560E-03 5261 0.133E-01 0.642E-01 RMM: 5 -0.340030649151E+03 0.27385E-02 -0.15024E-03 4615 0.104E-01 0.122E-01 RMM: 6 -0.340030736861E+03 -0.87709E-04 -0.35563E-04 4035 0.483E-02 0.174E-01 RMM: 7 -0.340030559089E+03 0.17777E-03 -0.13068E-04 3865 0.344E-02 0.756E-02 RMM: 8 -0.340030530614E+03 0.28474E-04 -0.25826E-05 2776 0.152E-02 0.411E-02 RMM: 9 -0.340030553273E+03 -0.22658E-04 -0.23938E-05 2613 0.137E-02 0.667E-02 RMM: 10 -0.340030531017E+03 0.22256E-04 -0.19128E-05 2571 0.140E-02 0.165E-02 RMM: 11 -0.340030531500E+03 -0.48346E-06 -0.38075E-06 2429 0.566E-03 679 T= 6121. E= 0.68633851E+03 F= 0.63569985E+03 E0= 0.66496308E+03 EK= 0.50639E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340665688163E+03 -0.63516E+00 -0.18080E-01 7740 0.236E+01 0.484E-01 RMM: 2 -0.340671085983E+03 -0.53978E-02 -0.84164E-02 4969 0.699E-01 0.636E-01 RMM: 3 -0.340670006012E+03 0.10800E-02 -0.10080E-02 5354 0.225E-01 0.534E-01 RMM: 4 -0.340670544636E+03 -0.53862E-03 -0.25803E-03 5308 0.128E-01 0.631E-01 RMM: 5 -0.340667911428E+03 0.26332E-02 -0.13011E-03 4616 0.956E-02 0.122E-01 RMM: 6 -0.340667976101E+03 -0.64673E-04 -0.32403E-04 3941 0.456E-02 0.163E-01 RMM: 7 -0.340667814068E+03 0.16203E-03 -0.11781E-04 3821 0.327E-02 0.664E-02 RMM: 8 -0.340667796325E+03 0.17744E-04 -0.28584E-05 2940 0.156E-02 680 T= 6361. E= 0.68823508E+03 F= 0.63561576E+03 E0= 0.66488500E+03 EK= 0.52619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341275414837E+03 -0.60760E+00 -0.18239E-01 7752 0.241E+01 0.531E-01 RMM: 2 -0.341287688235E+03 -0.12273E-01 -0.82630E-02 5093 0.699E-01 0.124E+00 RMM: 3 -0.341278272392E+03 0.94158E-02 -0.11113E-02 5338 0.246E-01 0.444E-01 RMM: 4 -0.341280136846E+03 -0.18645E-02 -0.43624E-03 5193 0.164E-01 0.694E-01 RMM: 5 -0.341277145280E+03 0.29916E-02 -0.18454E-03 4627 0.116E-01 0.241E-01 RMM: 6 -0.341276811182E+03 0.33410E-03 -0.41984E-04 4340 0.533E-02 0.109E-01 RMM: 7 -0.341276899485E+03 -0.88303E-04 -0.13365E-04 3868 0.316E-02 0.161E-01 RMM: 8 -0.341276732659E+03 0.16683E-03 -0.66710E-05 3495 0.243E-02 0.401E-02 RMM: 9 -0.341276751058E+03 -0.18399E-04 -0.30263E-05 2901 0.154E-02 681 T= 6647. E= 0.69053877E+03 F= 0.63554900E+03 E0= 0.66482182E+03 EK= 0.54990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341789482415E+03 -0.51275E+00 -0.18940E-01 7572 0.247E+01 0.527E-01 RMM: 2 -0.341811212715E+03 -0.21730E-01 -0.98688E-02 5009 0.770E-01 0.166E+00 RMM: 3 -0.341793298347E+03 0.17914E-01 -0.14121E-02 5359 0.281E-01 0.371E-01 RMM: 4 -0.341795447340E+03 -0.21490E-02 -0.43501E-03 5287 0.159E-01 0.689E-01 RMM: 5 -0.341792470718E+03 0.29766E-02 -0.17773E-03 4623 0.115E-01 0.217E-01 RMM: 6 -0.341792198683E+03 0.27204E-03 -0.29734E-04 3949 0.440E-02 0.962E-02 RMM: 7 -0.341792246485E+03 -0.47802E-04 -0.13538E-04 3875 0.319E-02 0.132E-01 RMM: 8 -0.341792132986E+03 0.11350E-03 -0.62668E-05 3420 0.236E-02 0.331E-02 RMM: 9 -0.341792144078E+03 -0.11092E-04 -0.17979E-05 2544 0.119E-02 682 T= 6872. E= 0.69241897E+03 F= 0.63556543E+03 E0= 0.66483943E+03 EK= 0.56854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342169305870E+03 -0.37717E+00 -0.18984E-01 7428 0.250E+01 0.506E-01 RMM: 2 -0.342182256246E+03 -0.12950E-01 -0.95145E-02 5054 0.744E-01 0.119E+00 RMM: 3 -0.342173332432E+03 0.89238E-02 -0.11488E-02 5373 0.242E-01 0.373E-01 RMM: 4 -0.342175396350E+03 -0.20639E-02 -0.38811E-03 5252 0.156E-01 0.681E-01 RMM: 5 -0.342172406201E+03 0.29901E-02 -0.16694E-03 4611 0.110E-01 0.192E-01 RMM: 6 -0.342172244036E+03 0.16217E-03 -0.33995E-04 4075 0.467E-02 0.126E-01 RMM: 7 -0.342172263107E+03 -0.19071E-04 -0.13595E-04 3859 0.335E-02 683 T= 6941. E= 0.69313038E+03 F= 0.63571095E+03 E0= 0.66498402E+03 EK= 0.57419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342412852268E+03 -0.24061E+00 -0.18881E-01 7584 0.249E+01 0.517E-01 RMM: 2 -0.342423686919E+03 -0.10835E-01 -0.10568E-01 4926 0.782E-01 0.979E-01 RMM: 3 -0.342418324608E+03 0.53623E-02 -0.12894E-02 5415 0.247E-01 0.443E-01 RMM: 4 -0.342420348291E+03 -0.20237E-02 -0.38140E-03 5266 0.155E-01 0.722E-01 RMM: 5 -0.342416890021E+03 0.34583E-02 -0.19638E-03 4630 0.120E-01 0.163E-01 RMM: 6 -0.342416898070E+03 -0.80492E-05 -0.35020E-04 4065 0.469E-02 0.175E-01 RMM: 7 -0.342416770512E+03 0.12756E-03 -0.16346E-04 3880 0.372E-02 0.115E-01 RMM: 8 -0.342416697315E+03 0.73197E-04 -0.70700E-05 3487 0.243E-02 0.457E-02 RMM: 9 -0.342416736590E+03 -0.39274E-04 -0.36209E-05 3005 0.168E-02 0.821E-02 RMM: 10 -0.342416703484E+03 0.33105E-04 -0.23432E-05 2631 0.159E-02 0.241E-02 RMM: 11 -0.342416701611E+03 0.18733E-05 -0.46525E-06 2438 0.624E-03 684 T= 6822. E= 0.69242864E+03 F= 0.63599203E+03 E0= 0.66526185E+03 EK= 0.56437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342567036553E+03 -0.15033E+00 -0.19901E-01 7476 0.245E+01 0.430E-01 RMM: 2 -0.342578779717E+03 -0.11743E-01 -0.12708E-01 4799 0.847E-01 0.768E-01 RMM: 3 -0.342575155026E+03 0.36247E-02 -0.14260E-02 5522 0.243E-01 0.379E-01 RMM: 4 -0.342576287309E+03 -0.11323E-02 -0.29192E-03 5305 0.139E-01 0.593E-01 RMM: 5 -0.342574037790E+03 0.22495E-02 -0.13382E-03 4615 0.987E-02 0.171E-01 RMM: 6 -0.342573915935E+03 0.12185E-03 -0.36726E-04 4065 0.495E-02 0.118E-01 RMM: 7 -0.342573851798E+03 0.64137E-04 -0.11941E-04 3840 0.336E-02 0.798E-02 RMM: 8 -0.342573814181E+03 0.37617E-04 -0.20114E-05 2617 0.142E-02 0.286E-02 RMM: 9 -0.342573821877E+03 -0.76953E-05 -0.13783E-05 2485 0.105E-02 685 T= 6570. E= 0.69072157E+03 F= 0.63636602E+03 E0= 0.66563467E+03 EK= 0.54356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342715382424E+03 -0.14157E+00 -0.18138E-01 7728 0.240E+01 0.474E-01 RMM: 2 -0.342723442894E+03 -0.80605E-02 -0.90705E-02 4978 0.725E-01 0.796E-01 RMM: 3 -0.342720012302E+03 0.34306E-02 -0.10145E-02 5442 0.217E-01 0.413E-01 RMM: 4 -0.342721484616E+03 -0.14723E-02 -0.33986E-03 5216 0.150E-01 0.651E-01 RMM: 5 -0.342718770279E+03 0.27143E-02 -0.18281E-03 4621 0.116E-01 0.182E-01 RMM: 6 -0.342718678596E+03 0.91683E-04 -0.42665E-04 4229 0.538E-02 0.150E-01 RMM: 7 -0.342718636199E+03 0.42397E-04 -0.18198E-04 3880 0.403E-02 0.135E-01 RMM: 8 -0.342718526360E+03 0.10984E-03 -0.55978E-05 3372 0.227E-02 0.438E-02 RMM: 9 -0.342718551888E+03 -0.25528E-04 -0.33190E-05 2949 0.162E-02 0.724E-02 RMM: 10 -0.342718530854E+03 0.21034E-04 -0.24755E-05 2599 0.158E-02 0.233E-02 RMM: 11 -0.342718529944E+03 0.91076E-06 -0.53751E-06 2436 0.695E-03 686 T= 6292. E= 0.68880964E+03 F= 0.63676118E+03 E0= 0.66603079E+03 EK= 0.52048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342922710411E+03 -0.20418E+00 -0.17072E-01 7644 0.236E+01 0.453E-01 RMM: 2 -0.342929211493E+03 -0.65011E-02 -0.84934E-02 5022 0.701E-01 0.686E-01 RMM: 3 -0.342927082296E+03 0.21292E-02 -0.95084E-03 5436 0.211E-01 0.438E-01 RMM: 4 -0.342928181004E+03 -0.10987E-02 -0.30942E-03 5221 0.145E-01 0.624E-01 RMM: 5 -0.342925638104E+03 0.25429E-02 -0.17418E-03 4626 0.114E-01 0.147E-01 RMM: 6 -0.342925682458E+03 -0.44354E-04 -0.37101E-04 4097 0.501E-02 0.179E-01 RMM: 7 -0.342925511192E+03 0.17127E-03 -0.17915E-04 3880 0.408E-02 0.946E-02 RMM: 8 -0.342925461173E+03 0.50019E-04 -0.36379E-05 3042 0.185E-02 0.407E-02 RMM: 9 -0.342925482031E+03 -0.20858E-04 -0.27400E-05 2661 0.151E-02 0.649E-02 RMM: 10 -0.342925463628E+03 0.18403E-04 -0.20742E-05 2555 0.142E-02 687 T= 6088. E= 0.68746787E+03 F= 0.63710231E+03 E0= 0.66637718E+03 EK= 0.50366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343244262309E+03 -0.31878E+00 -0.16821E-01 7632 0.233E+01 0.451E-01 RMM: 2 -0.343251155839E+03 -0.68935E-02 -0.89288E-02 4921 0.709E-01 0.653E-01 RMM: 3 -0.343249292952E+03 0.18629E-02 -0.99875E-03 5501 0.210E-01 0.452E-01 RMM: 4 -0.343249910340E+03 -0.61739E-03 -0.30137E-03 5230 0.143E-01 0.573E-01 RMM: 5 -0.343247779372E+03 0.21310E-02 -0.15062E-03 4611 0.104E-01 0.147E-01 RMM: 6 -0.343247781218E+03 -0.18458E-05 -0.29514E-04 3940 0.445E-02 0.157E-01 RMM: 7 -0.343247689063E+03 0.92156E-04 -0.15382E-04 3880 0.373E-02 0.113E-01 RMM: 8 -0.343247613983E+03 0.75079E-04 -0.55669E-05 3373 0.221E-02 0.384E-02 RMM: 9 -0.343247640269E+03 -0.26286E-04 -0.24633E-05 2647 0.144E-02 0.687E-02 RMM: 10 -0.343247619597E+03 0.20672E-04 -0.18246E-05 2530 0.136E-02 0.250E-02 RMM: 11 -0.343247617656E+03 0.19413E-05 -0.46753E-06 2433 0.640E-03 688 T= 6026. E= 0.68718737E+03 F= 0.63733224E+03 E0= 0.66661674E+03 EK= 0.49855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343704773856E+03 -0.45715E+00 -0.16694E-01 7908 0.234E+01 0.475E-01 RMM: 2 -0.343711423104E+03 -0.66492E-02 -0.85814E-02 4917 0.692E-01 0.720E-01 RMM: 3 -0.343709031884E+03 0.23912E-02 -0.97088E-03 5401 0.216E-01 0.464E-01 RMM: 4 -0.343709915565E+03 -0.88368E-03 -0.30946E-03 5259 0.142E-01 0.616E-01 RMM: 5 -0.343707397770E+03 0.25178E-02 -0.16868E-03 4620 0.111E-01 0.135E-01 RMM: 6 -0.343707410338E+03 -0.12568E-04 -0.32312E-04 4003 0.460E-02 0.153E-01 RMM: 7 -0.343707292018E+03 0.11832E-03 -0.11861E-04 3861 0.332E-02 0.870E-02 RMM: 8 -0.343707249807E+03 0.42212E-04 -0.28527E-05 2885 0.161E-02 0.397E-02 RMM: 9 -0.343707270725E+03 -0.20918E-04 -0.25018E-05 2652 0.144E-02 0.645E-02 RMM: 10 -0.343707251098E+03 0.19626E-04 -0.18114E-05 2534 0.137E-02 689 T= 6127. E= 0.68810682E+03 F= 0.63742257E+03 E0= 0.66671993E+03 EK= 0.50684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344289282730E+03 -0.58201E+00 -0.17754E-01 7932 0.237E+01 0.460E-01 RMM: 2 -0.344295382634E+03 -0.60999E-02 -0.95403E-02 4852 0.718E-01 0.495E-01 RMM: 3 -0.344295625923E+03 -0.24329E-03 -0.11293E-02 5398 0.232E-01 0.586E-01 RMM: 4 -0.344295021782E+03 0.60414E-03 -0.22046E-03 5250 0.116E-01 0.531E-01 RMM: 5 -0.344293124983E+03 0.18968E-02 -0.11266E-03 4611 0.877E-02 0.989E-02 RMM: 6 -0.344293206893E+03 -0.81911E-04 -0.27190E-04 3929 0.416E-02 0.157E-01 RMM: 7 -0.344293074354E+03 0.13254E-03 -0.10912E-04 3784 0.312E-02 0.777E-02 RMM: 8 -0.344293044514E+03 0.29840E-04 -0.28592E-05 2850 0.158E-02 0.411E-02 RMM: 9 -0.344293068282E+03 -0.23768E-04 -0.23898E-05 2619 0.140E-02 0.670E-02 RMM: 10 -0.344293044557E+03 0.23724E-04 -0.17317E-05 2537 0.135E-02 0.148E-02 RMM: 11 -0.344293045681E+03 -0.11242E-05 -0.35344E-06 2427 0.542E-03 690 T= 6362. E= 0.69000746E+03 F= 0.63737883E+03 E0= 0.66669100E+03 EK= 0.52629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344961999931E+03 -0.66896E+00 -0.18857E-01 8136 0.242E+01 0.476E-01 RMM: 2 -0.344968722037E+03 -0.67221E-02 -0.96783E-02 4999 0.720E-01 0.621E-01 RMM: 3 -0.344967767919E+03 0.95412E-03 -0.10643E-02 5442 0.222E-01 0.558E-01 RMM: 4 -0.344967822768E+03 -0.54849E-04 -0.26103E-03 5246 0.127E-01 0.588E-01 RMM: 5 -0.344965489593E+03 0.23332E-02 -0.14815E-03 4627 0.102E-01 0.115E-01 RMM: 6 -0.344965534860E+03 -0.45267E-04 -0.26373E-04 3898 0.406E-02 0.153E-01 RMM: 7 -0.344965436138E+03 0.98723E-04 -0.97828E-05 3788 0.287E-02 0.984E-02 RMM: 8 -0.344965376804E+03 0.59334E-04 -0.35594E-05 3045 0.175E-02 0.359E-02 RMM: 9 -0.344965396676E+03 -0.19872E-04 -0.25572E-05 2698 0.143E-02 691 T= 6657. E= 0.69230882E+03 F= 0.63723745E+03 E0= 0.66656468E+03 EK= 0.55071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345665354028E+03 -0.69998E+00 -0.19561E-01 7956 0.247E+01 0.476E-01 RMM: 2 -0.345672887022E+03 -0.75330E-02 -0.98366E-02 5055 0.722E-01 0.689E-01 RMM: 3 -0.345670980504E+03 0.19065E-02 -0.10692E-02 5420 0.226E-01 0.508E-01 RMM: 4 -0.345671701299E+03 -0.72080E-03 -0.25580E-03 5252 0.123E-01 0.623E-01 RMM: 5 -0.345669114595E+03 0.25867E-02 -0.14264E-03 4612 0.101E-01 0.132E-01 RMM: 6 -0.345669103004E+03 0.11592E-04 -0.28786E-04 3942 0.428E-02 0.136E-01 RMM: 7 -0.345669079052E+03 0.23952E-04 -0.10162E-04 3793 0.288E-02 0.126E-01 RMM: 8 -0.345668977558E+03 0.10149E-03 -0.55762E-05 3367 0.214E-02 0.343E-02 RMM: 9 -0.345669002668E+03 -0.25110E-04 -0.26312E-05 2755 0.145E-02 0.668E-02 RMM: 10 -0.345668982189E+03 0.20479E-04 -0.18198E-05 2530 0.141E-02 0.216E-02 RMM: 11 -0.345668980637E+03 0.15525E-05 -0.34646E-06 2429 0.537E-03 692 T= 6903. E= 0.69415797E+03 F= 0.63705445E+03 E0= 0.66639611E+03 EK= 0.57104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346350848934E+03 -0.68187E+00 -0.20578E-01 7992 0.251E+01 0.469E-01 RMM: 2 -0.346360181384E+03 -0.93324E-02 -0.11328E-01 4969 0.771E-01 0.722E-01 RMM: 3 -0.346357472647E+03 0.27087E-02 -0.12289E-02 5445 0.241E-01 0.468E-01 RMM: 4 -0.346358553246E+03 -0.10806E-02 -0.25985E-03 5296 0.125E-01 0.635E-01 RMM: 5 -0.346355819309E+03 0.27339E-02 -0.13543E-03 4624 0.982E-02 0.125E-01 RMM: 6 -0.346355855168E+03 -0.35859E-04 -0.28418E-04 3921 0.420E-02 0.154E-01 RMM: 7 -0.346355744174E+03 0.11099E-03 -0.11251E-04 3878 0.308E-02 0.932E-02 RMM: 8 -0.346355692005E+03 0.52169E-04 -0.33463E-05 3021 0.169E-02 0.357E-02 RMM: 9 -0.346355709381E+03 -0.17376E-04 -0.23056E-05 2628 0.133E-02 693 T= 6994. E= 0.69474209E+03 F= 0.63688229E+03 E0= 0.66623762E+03 EK= 0.57860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346998043901E+03 -0.64235E+00 -0.20406E-01 7800 0.251E+01 0.468E-01 RMM: 2 -0.347008851696E+03 -0.10808E-01 -0.11602E-01 4965 0.787E-01 0.825E-01 RMM: 3 -0.347004813015E+03 0.40387E-02 -0.12544E-02 5509 0.238E-01 0.405E-01 RMM: 4 -0.347006414203E+03 -0.16012E-02 -0.28224E-03 5268 0.132E-01 0.660E-01 RMM: 5 -0.347003519296E+03 0.28949E-02 -0.14328E-03 4615 0.102E-01 0.143E-01 RMM: 6 -0.347003548633E+03 -0.29337E-04 -0.35209E-04 4024 0.472E-02 0.166E-01 RMM: 7 -0.347003457107E+03 0.91526E-04 -0.13953E-04 3872 0.348E-02 0.120E-01 RMM: 8 -0.347003367430E+03 0.89677E-04 -0.56417E-05 3369 0.217E-02 0.387E-02 RMM: 9 -0.347003389237E+03 -0.21807E-04 -0.26129E-05 2730 0.147E-02 0.653E-02 RMM: 10 -0.347003373581E+03 0.15656E-04 -0.18469E-05 2530 0.135E-02 694 T= 6889. E= 0.69373927E+03 F= 0.63674967E+03 E0= 0.66611841E+03 EK= 0.56990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347622286694E+03 -0.61890E+00 -0.19934E-01 7632 0.247E+01 0.444E-01 RMM: 2 -0.347633406485E+03 -0.11120E-01 -0.12781E-01 4919 0.821E-01 0.705E-01 RMM: 3 -0.347630369468E+03 0.30370E-02 -0.13747E-02 5590 0.240E-01 0.385E-01 RMM: 4 -0.347631589128E+03 -0.12197E-02 -0.26849E-03 5244 0.133E-01 0.617E-01 RMM: 5 -0.347629049308E+03 0.25398E-02 -0.12934E-03 4610 0.952E-02 0.115E-01 RMM: 6 -0.347629250125E+03 -0.20082E-03 -0.40207E-04 4150 0.520E-02 0.213E-01 RMM: 7 -0.347628984492E+03 0.26563E-03 -0.17258E-04 3888 0.390E-02 0.862E-02 RMM: 8 -0.347628943768E+03 0.40724E-04 -0.29787E-05 2898 0.162E-02 0.401E-02 RMM: 9 -0.347628963021E+03 -0.19253E-04 -0.27392E-05 2604 0.147E-02 695 T= 6634. E= 0.69153025E+03 F= 0.63664597E+03 E0= 0.66603064E+03 EK= 0.54884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348274256247E+03 -0.64531E+00 -0.18664E-01 7728 0.242E+01 0.457E-01 RMM: 2 -0.348285929182E+03 -0.11673E-01 -0.11782E-01 4962 0.809E-01 0.875E-01 RMM: 3 -0.348281169730E+03 0.47595E-02 -0.13187E-02 5566 0.237E-01 0.346E-01 RMM: 4 -0.348282777834E+03 -0.16081E-02 -0.30526E-03 5227 0.141E-01 0.640E-01 RMM: 5 -0.348280161246E+03 0.26166E-02 -0.15723E-03 4640 0.108E-01 0.176E-01 RMM: 6 -0.348280133839E+03 0.27407E-04 -0.46329E-04 4346 0.554E-02 0.175E-01 RMM: 7 -0.348280034297E+03 0.99542E-04 -0.20771E-04 3877 0.427E-02 0.130E-01 RMM: 8 -0.348279930596E+03 0.10370E-03 -0.59024E-05 3405 0.232E-02 0.438E-02 RMM: 9 -0.348279944402E+03 -0.13806E-04 -0.25700E-05 2684 0.146E-02 696 T= 6337. E= 0.68895566E+03 F= 0.63652776E+03 E0= 0.66593182E+03 EK= 0.52428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349003965956E+03 -0.72404E+00 -0.18495E-01 7728 0.237E+01 0.457E-01 RMM: 2 -0.349016365201E+03 -0.12399E-01 -0.12267E-01 4907 0.811E-01 0.875E-01 RMM: 3 -0.349011365205E+03 0.50000E-02 -0.13246E-02 5550 0.233E-01 0.369E-01 RMM: 4 -0.349012902046E+03 -0.15368E-02 -0.35568E-03 5154 0.156E-01 0.645E-01 RMM: 5 -0.349010265039E+03 0.26370E-02 -0.17151E-03 4637 0.111E-01 0.175E-01 RMM: 6 -0.349010244771E+03 0.20269E-04 -0.44105E-04 4243 0.542E-02 0.177E-01 RMM: 7 -0.349010167747E+03 0.77023E-04 -0.22023E-04 3884 0.437E-02 0.147E-01 RMM: 8 -0.349010033155E+03 0.13459E-03 -0.81702E-05 3607 0.269E-02 0.441E-02 RMM: 9 -0.349010046910E+03 -0.13755E-04 -0.24245E-05 2664 0.143E-02 697 T= 6107. E= 0.68686280E+03 F= 0.63634153E+03 E0= 0.66577040E+03 EK= 0.50521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349850306320E+03 -0.84027E+00 -0.16935E-01 7788 0.234E+01 0.475E-01 RMM: 2 -0.349864236097E+03 -0.13930E-01 -0.10975E-01 4985 0.754E-01 0.111E+00 RMM: 3 -0.349856084521E+03 0.81516E-02 -0.12456E-02 5457 0.231E-01 0.321E-01 RMM: 4 -0.349858015380E+03 -0.19309E-02 -0.35919E-03 5150 0.154E-01 0.657E-01 RMM: 5 -0.349855310420E+03 0.27050E-02 -0.15112E-03 4621 0.105E-01 0.199E-01 RMM: 6 -0.349855177924E+03 0.13250E-03 -0.41690E-04 4256 0.519E-02 0.151E-01 RMM: 7 -0.349855147462E+03 0.30462E-04 -0.19762E-04 3877 0.416E-02 0.140E-01 RMM: 8 -0.349855024146E+03 0.12332E-03 -0.71760E-05 3524 0.255E-02 0.394E-02 RMM: 9 -0.349855044022E+03 -0.19876E-04 -0.25198E-05 2708 0.143E-02 698 T= 6015. E= 0.68580922E+03 F= 0.63604787E+03 E0= 0.66550729E+03 EK= 0.49761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350816459353E+03 -0.96144E+00 -0.18217E-01 7944 0.234E+01 0.476E-01 RMM: 2 -0.350830168276E+03 -0.13709E-01 -0.12665E-01 4911 0.787E-01 0.971E-01 RMM: 3 -0.350823763002E+03 0.64053E-02 -0.13299E-02 5461 0.235E-01 0.395E-01 RMM: 4 -0.350825355204E+03 -0.15922E-02 -0.37943E-03 5163 0.157E-01 0.655E-01 RMM: 5 -0.350822695256E+03 0.26599E-02 -0.17177E-03 4632 0.112E-01 0.198E-01 RMM: 6 -0.350822501763E+03 0.19349E-03 -0.32181E-04 4000 0.454E-02 0.118E-01 RMM: 7 -0.350822518834E+03 -0.17071E-04 -0.16980E-04 3881 0.382E-02 699 T= 6087. E= 0.68598646E+03 F= 0.63563305E+03 E0= 0.66512953E+03 EK= 0.50353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351886197066E+03 -0.10637E+01 -0.17099E-01 7788 0.237E+01 0.550E-01 RMM: 2 -0.351895816271E+03 -0.96192E-02 -0.94861E-02 4985 0.716E-01 0.101E+00 RMM: 3 -0.351889967085E+03 0.58492E-02 -0.11549E-02 5389 0.241E-01 0.463E-01 RMM: 4 -0.351892148180E+03 -0.21811E-02 -0.40166E-03 5140 0.157E-01 0.760E-01 RMM: 5 -0.351888463173E+03 0.36850E-02 -0.20535E-03 4626 0.122E-01 0.193E-01 RMM: 6 -0.351888341977E+03 0.12120E-03 -0.35823E-04 4128 0.475E-02 0.149E-01 RMM: 7 -0.351888330081E+03 0.11896E-04 -0.18829E-04 3890 0.390E-02 700 T= 6300. E= 0.68722887E+03 F= 0.63511490E+03 E0= 0.66465317E+03 EK= 0.52114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353001358087E+03 -0.11130E+01 -0.17594E-01 8160 0.241E+01 0.508E-01 RMM: 2 -0.353011474607E+03 -0.10117E-01 -0.75862E-02 5202 0.648E-01 0.114E+00 RMM: 3 -0.353003712627E+03 0.77620E-02 -0.99949E-03 5349 0.233E-01 0.427E-01 RMM: 4 -0.353005856998E+03 -0.21444E-02 -0.34642E-03 5160 0.145E-01 0.715E-01 RMM: 5 -0.353002716568E+03 0.31404E-02 -0.15865E-03 4610 0.108E-01 0.229E-01 RMM: 6 -0.353002397786E+03 0.31878E-03 -0.37722E-04 4095 0.499E-02 0.903E-02 RMM: 7 -0.353002500436E+03 -0.10265E-03 -0.12634E-04 3879 0.305E-02 0.153E-01 RMM: 8 -0.353002349467E+03 0.15097E-03 -0.59791E-05 3437 0.231E-02 0.403E-02 RMM: 9 -0.353002360782E+03 -0.11315E-04 -0.25046E-05 2724 0.140E-02 701 T= 6586. E= 0.68901951E+03 F= 0.63453947E+03 E0= 0.66412371E+03 EK= 0.54480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354102192780E+03 -0.10998E+01 -0.18348E-01 7968 0.246E+01 0.470E-01 RMM: 2 -0.354110880636E+03 -0.86879E-02 -0.74864E-02 5221 0.627E-01 0.100E+00 RMM: 3 -0.354104843593E+03 0.60370E-02 -0.85205E-03 5361 0.210E-01 0.389E-01 RMM: 4 -0.354106497153E+03 -0.16536E-02 -0.23181E-03 5088 0.118E-01 0.646E-01 RMM: 5 -0.354103735895E+03 0.27613E-02 -0.10755E-03 4602 0.876E-02 0.107E-01 RMM: 6 -0.354103752205E+03 -0.16310E-04 -0.21137E-04 3882 0.360E-02 0.126E-01 RMM: 7 -0.354103686917E+03 0.65289E-04 -0.74422E-05 3589 0.254E-02 0.887E-02 RMM: 8 -0.354103636001E+03 0.50915E-04 -0.34374E-05 3036 0.175E-02 0.261E-02 RMM: 9 -0.354103648011E+03 -0.12010E-04 -0.15522E-05 2502 0.110E-02 702 T= 6841. E= 0.69055841E+03 F= 0.63396737E+03 E0= 0.66359908E+03 EK= 0.56591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355135406112E+03 -0.10318E+01 -0.18682E-01 8280 0.249E+01 0.515E-01 RMM: 2 -0.355143174044E+03 -0.77679E-02 -0.75819E-02 5283 0.645E-01 0.984E-01 RMM: 3 -0.355137766852E+03 0.54072E-02 -0.90148E-03 5354 0.220E-01 0.465E-01 RMM: 4 -0.355139563514E+03 -0.17967E-02 -0.34249E-03 5091 0.144E-01 0.711E-01 RMM: 5 -0.355136332129E+03 0.32314E-02 -0.17380E-03 4613 0.113E-01 0.175E-01 RMM: 6 -0.355136189660E+03 0.14247E-03 -0.25483E-04 3897 0.400E-02 0.113E-01 RMM: 7 -0.355136200885E+03 -0.11225E-04 -0.11643E-04 3887 0.301E-02 703 T= 6959. E= 0.69103114E+03 F= 0.63345803E+03 E0= 0.66313759E+03 EK= 0.57573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356067210614E+03 -0.93102E+00 -0.18683E-01 8052 0.248E+01 0.518E-01 RMM: 2 -0.356074320895E+03 -0.71103E-02 -0.77103E-02 5230 0.637E-01 0.898E-01 RMM: 3 -0.356069810476E+03 0.45104E-02 -0.82364E-03 5373 0.205E-01 0.450E-01 RMM: 4 -0.356071570563E+03 -0.17601E-02 -0.33253E-03 5084 0.145E-01 0.706E-01 RMM: 5 -0.356068367401E+03 0.32032E-02 -0.17533E-03 4608 0.112E-01 0.168E-01 RMM: 6 -0.356068333594E+03 0.33807E-04 -0.33923E-04 4029 0.471E-02 0.158E-01 RMM: 7 -0.356068320973E+03 0.12621E-04 -0.15966E-04 3880 0.362E-02 704 T= 6888. E= 0.69003470E+03 F= 0.63304902E+03 E0= 0.66277342E+03 EK= 0.56986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356901535965E+03 -0.83320E+00 -0.18202E-01 8256 0.245E+01 0.494E-01 RMM: 2 -0.356910879240E+03 -0.93433E-02 -0.76069E-02 5153 0.637E-01 0.107E+00 RMM: 3 -0.356903958430E+03 0.69208E-02 -0.95678E-03 5370 0.228E-01 0.414E-01 RMM: 4 -0.356906239588E+03 -0.22812E-02 -0.33828E-03 5169 0.148E-01 0.730E-01 RMM: 5 -0.356902945223E+03 0.32944E-02 -0.15790E-03 4615 0.108E-01 0.211E-01 RMM: 6 -0.356902719703E+03 0.22552E-03 -0.40276E-04 4201 0.512E-02 0.118E-01 RMM: 7 -0.356902720265E+03 -0.56230E-06 -0.15449E-04 3882 0.365E-02 705 T= 6659. E= 0.68783421E+03 F= 0.63274381E+03 E0= 0.66251001E+03 EK= 0.55090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357664196626E+03 -0.76148E+00 -0.17494E-01 8100 0.240E+01 0.494E-01 RMM: 2 -0.357674653183E+03 -0.10457E-01 -0.75070E-02 5142 0.641E-01 0.113E+00 RMM: 3 -0.357666515843E+03 0.81373E-02 -0.89365E-03 5383 0.217E-01 0.383E-01 RMM: 4 -0.357668724192E+03 -0.22083E-02 -0.37489E-03 5115 0.155E-01 0.716E-01 RMM: 5 -0.357665618465E+03 0.31057E-02 -0.19522E-03 4613 0.120E-01 0.237E-01 RMM: 6 -0.357665337819E+03 0.28065E-03 -0.45109E-04 4359 0.550E-02 0.124E-01 RMM: 7 -0.357665391555E+03 -0.53737E-04 -0.19148E-04 3893 0.396E-02 0.161E-01 RMM: 8 -0.357665232942E+03 0.15861E-03 -0.78796E-05 3583 0.268E-02 0.460E-02 RMM: 9 -0.357665247542E+03 -0.14600E-04 -0.27970E-05 2839 0.150E-02 706 T= 6368. E= 0.68519750E+03 F= 0.63252072E+03 E0= 0.66232470E+03 EK= 0.52677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358388433979E+03 -0.72320E+00 -0.16706E-01 8220 0.234E+01 0.425E-01 RMM: 2 -0.358395658850E+03 -0.72249E-02 -0.66771E-02 5152 0.579E-01 0.856E-01 RMM: 3 -0.358390902412E+03 0.47564E-02 -0.70678E-03 5368 0.193E-01 0.346E-01 RMM: 4 -0.358392162391E+03 -0.12600E-02 -0.27405E-03 5117 0.137E-01 0.581E-01 RMM: 5 -0.358390033482E+03 0.21289E-02 -0.11469E-03 4607 0.915E-02 0.149E-01 RMM: 6 -0.358390026505E+03 0.69777E-05 -0.30596E-04 3944 0.450E-02 0.155E-01 RMM: 7 -0.358389941321E+03 0.85184E-04 -0.15786E-04 3858 0.385E-02 0.112E-01 RMM: 8 -0.358389862655E+03 0.78666E-04 -0.49249E-05 3279 0.210E-02 0.309E-02 RMM: 9 -0.358389879420E+03 -0.16765E-04 -0.16859E-05 2524 0.120E-02 707 T= 6120. E= 0.68297433E+03 F= 0.63234633E+03 E0= 0.66218439E+03 EK= 0.50628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359102375370E+03 -0.71251E+00 -0.16114E-01 7956 0.231E+01 0.501E-01 RMM: 2 -0.359112480245E+03 -0.10105E-01 -0.65679E-02 5221 0.602E-01 0.118E+00 RMM: 3 -0.359103643186E+03 0.88371E-02 -0.86204E-03 5339 0.219E-01 0.391E-01 RMM: 4 -0.359105932043E+03 -0.22889E-02 -0.38257E-03 4965 0.157E-01 0.727E-01 RMM: 5 -0.359102752293E+03 0.31797E-02 -0.19451E-03 4612 0.120E-01 0.243E-01 RMM: 6 -0.359102439400E+03 0.31289E-03 -0.37074E-04 4079 0.492E-02 0.119E-01 RMM: 7 -0.359102431573E+03 0.78266E-05 -0.19782E-04 3884 0.427E-02 708 T= 5994. E= 0.68177648E+03 F= 0.63219135E+03 E0= 0.66206088E+03 EK= 0.49585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359812186689E+03 -0.70975E+00 -0.15926E-01 7944 0.230E+01 0.534E-01 RMM: 2 -0.359814880415E+03 -0.26937E-02 -0.59513E-02 5194 0.552E-01 0.656E-01 RMM: 3 -0.359814170424E+03 0.70999E-03 -0.77385E-03 5337 0.205E-01 0.630E-01 RMM: 4 -0.359814090290E+03 0.80133E-04 -0.29170E-03 5002 0.144E-01 0.640E-01 RMM: 5 -0.359811487098E+03 0.26032E-02 -0.12251E-03 4604 0.922E-02 0.143E-01 RMM: 6 -0.359811622293E+03 -0.13519E-03 -0.43184E-04 4349 0.527E-02 0.212E-01 RMM: 7 -0.359811368466E+03 0.25383E-03 -0.21725E-04 3887 0.438E-02 0.813E-02 RMM: 8 -0.359811351551E+03 0.16914E-04 -0.48383E-05 3258 0.206E-02 709 T= 6024. E= 0.68187561E+03 F= 0.63204100E+03 E0= 0.66193889E+03 EK= 0.49835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360505533150E+03 -0.69416E+00 -0.16063E-01 8028 0.232E+01 0.456E-01 RMM: 2 -0.360519268192E+03 -0.13735E-01 -0.63698E-02 5100 0.584E-01 0.136E+00 RMM: 3 -0.360507377214E+03 0.11891E-01 -0.93359E-03 5352 0.230E-01 0.379E-01 RMM: 4 -0.360508635622E+03 -0.12584E-02 -0.34718E-03 5106 0.144E-01 0.584E-01 RMM: 5 -0.360506486420E+03 0.21492E-02 -0.14954E-03 4613 0.107E-01 0.182E-01 RMM: 6 -0.360506303618E+03 0.18280E-03 -0.22263E-04 3893 0.386E-02 0.869E-02 RMM: 7 -0.360506351502E+03 -0.47885E-04 -0.92814E-05 3692 0.268E-02 0.126E-01 RMM: 8 -0.360506252023E+03 0.99479E-04 -0.45215E-05 3247 0.205E-02 0.307E-02 RMM: 9 -0.360506257863E+03 -0.58391E-05 -0.12499E-05 2496 0.992E-03 710 T= 6202. E= 0.68320312E+03 F= 0.63189865E+03 E0= 0.66182349E+03 EK= 0.51304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361159412339E+03 -0.65316E+00 -0.16506E-01 8124 0.236E+01 0.565E-01 RMM: 2 -0.361185736588E+03 -0.26324E-01 -0.69906E-02 5201 0.642E-01 0.201E+00 RMM: 3 -0.361160042137E+03 0.25694E-01 -0.13677E-02 5336 0.291E-01 0.408E-01 RMM: 4 -0.361162123863E+03 -0.20817E-02 -0.44622E-03 5071 0.160E-01 0.707E-01 RMM: 5 -0.361159130383E+03 0.29935E-02 -0.16563E-03 4613 0.110E-01 0.261E-01 RMM: 6 -0.361158724057E+03 0.40633E-03 -0.36589E-04 4036 0.495E-02 0.101E-01 RMM: 7 -0.361158807271E+03 -0.83213E-04 -0.16143E-04 3876 0.347E-02 0.157E-01 RMM: 8 -0.361158655172E+03 0.15210E-03 -0.77608E-05 3545 0.261E-02 0.492E-02 RMM: 9 -0.361158652588E+03 0.25841E-05 -0.20762E-05 2576 0.129E-02 711 T= 6475. E= 0.68535192E+03 F= 0.63178752E+03 E0= 0.66173929E+03 EK= 0.53564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361729033431E+03 -0.57038E+00 -0.17577E-01 7824 0.241E+01 0.490E-01 RMM: 2 -0.361740024715E+03 -0.10991E-01 -0.76782E-02 5073 0.624E-01 0.113E+00 RMM: 3 -0.361731953162E+03 0.80716E-02 -0.98292E-03 5344 0.231E-01 0.427E-01 RMM: 4 -0.361734032257E+03 -0.20791E-02 -0.35200E-03 5083 0.147E-01 0.713E-01 RMM: 5 -0.361730914097E+03 0.31182E-02 -0.15526E-03 4609 0.107E-01 0.197E-01 RMM: 6 -0.361730707474E+03 0.20662E-03 -0.28381E-04 3923 0.427E-02 0.105E-01 RMM: 7 -0.361730738362E+03 -0.30889E-04 -0.11510E-04 3861 0.300E-02 0.130E-01 RMM: 8 -0.361730636515E+03 0.10185E-03 -0.56784E-05 3386 0.221E-02 0.362E-02 RMM: 9 -0.361730662066E+03 -0.25551E-04 -0.25131E-05 2695 0.142E-02 0.683E-02 RMM: 10 -0.361730644321E+03 0.17745E-04 -0.16619E-05 2527 0.135E-02 712 T= 6752. E= 0.68760270E+03 F= 0.63174375E+03 E0= 0.66172381E+03 EK= 0.55859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362188757964E+03 -0.45810E+00 -0.17680E-01 7788 0.244E+01 0.480E-01 RMM: 2 -0.362198119323E+03 -0.93614E-02 -0.73484E-02 5206 0.624E-01 0.107E+00 RMM: 3 -0.362191207177E+03 0.69121E-02 -0.87495E-03 5354 0.215E-01 0.386E-01 RMM: 4 -0.362193253465E+03 -0.20463E-02 -0.32206E-03 5060 0.139E-01 0.693E-01 RMM: 5 -0.362190285725E+03 0.29677E-02 -0.14639E-03 4607 0.102E-01 0.189E-01 RMM: 6 -0.362190098581E+03 0.18714E-03 -0.26945E-04 3891 0.415E-02 0.101E-01 RMM: 7 -0.362190126897E+03 -0.28316E-04 -0.10784E-04 3825 0.288E-02 0.126E-01 RMM: 8 -0.362190029103E+03 0.97794E-04 -0.55153E-05 3367 0.219E-02 0.378E-02 RMM: 9 -0.362190040304E+03 -0.11201E-04 -0.20556E-05 2559 0.128E-02 713 T= 6927. E= 0.68910686E+03 F= 0.63180173E+03 E0= 0.66181251E+03 EK= 0.57305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362525429189E+03 -0.33540E+00 -0.18055E-01 7848 0.245E+01 0.457E-01 RMM: 2 -0.362529982939E+03 -0.45538E-02 -0.73971E-02 5239 0.599E-01 0.548E-01 RMM: 3 -0.362529600529E+03 0.38241E-03 -0.75795E-03 5346 0.197E-01 0.590E-01 RMM: 4 -0.362529274750E+03 0.32578E-03 -0.24085E-03 4961 0.125E-01 0.555E-01 RMM: 5 -0.362527317426E+03 0.19573E-02 -0.11019E-03 4603 0.874E-02 0.131E-01 RMM: 6 -0.362527313346E+03 0.40794E-05 -0.23682E-04 3890 0.387E-02 0.137E-01 RMM: 7 -0.362527239837E+03 0.73509E-04 -0.90688E-05 3731 0.286E-02 0.949E-02 RMM: 8 -0.362527189405E+03 0.50432E-04 -0.37050E-05 3074 0.179E-02 0.392E-02 RMM: 9 -0.362527217294E+03 -0.27890E-04 -0.25878E-05 2686 0.143E-02 0.714E-02 RMM: 10 -0.362527191502E+03 0.25792E-04 -0.17068E-05 2532 0.135E-02 0.210E-02 RMM: 11 -0.362527190763E+03 0.73930E-06 -0.40196E-06 2425 0.574E-03 714 T= 6925. E= 0.68926728E+03 F= 0.63197617E+03 E0= 0.66202118E+03 EK= 0.57291E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362757180715E+03 -0.22999E+00 -0.18510E-01 7752 0.242E+01 0.455E-01 RMM: 2 -0.362766443025E+03 -0.92623E-02 -0.85329E-02 5152 0.658E-01 0.937E-01 RMM: 3 -0.362761080281E+03 0.53627E-02 -0.92691E-03 5379 0.212E-01 0.382E-01 RMM: 4 -0.362762785508E+03 -0.17052E-02 -0.31539E-03 5125 0.140E-01 0.650E-01 RMM: 5 -0.362760100519E+03 0.26850E-02 -0.15190E-03 4610 0.105E-01 0.174E-01 RMM: 6 -0.362759973580E+03 0.12694E-03 -0.28754E-04 3934 0.431E-02 0.117E-01 RMM: 7 -0.362759968065E+03 0.55154E-05 -0.11103E-04 3864 0.312E-02 715 T= 6749. E= 0.68808814E+03 F= 0.63225528E+03 E0= 0.66233813E+03 EK= 0.55833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362926897835E+03 -0.16692E+00 -0.17686E-01 7812 0.238E+01 0.483E-01 RMM: 2 -0.362933910970E+03 -0.70131E-02 -0.75299E-02 5299 0.606E-01 0.831E-01 RMM: 3 -0.362930002050E+03 0.39089E-02 -0.76871E-03 5354 0.198E-01 0.459E-01 RMM: 4 -0.362932007220E+03 -0.20052E-02 -0.36114E-03 4902 0.153E-01 0.729E-01 RMM: 5 -0.362928692563E+03 0.33147E-02 -0.18971E-03 4614 0.117E-01 0.182E-01 RMM: 6 -0.362928595530E+03 0.97033E-04 -0.40807E-04 4180 0.514E-02 0.152E-01 RMM: 7 -0.362928542613E+03 0.52917E-04 -0.18815E-04 3885 0.412E-02 0.128E-01 RMM: 8 -0.362928450473E+03 0.92140E-04 -0.61956E-05 3432 0.236E-02 0.530E-02 RMM: 9 -0.362928484029E+03 -0.33557E-04 -0.44016E-05 3152 0.180E-02 0.835E-02 RMM: 10 -0.362928454739E+03 0.29291E-04 -0.29108E-05 2834 0.173E-02 0.241E-02 RMM: 11 -0.362928453482E+03 0.12568E-05 -0.54943E-06 2437 0.685E-03 716 T= 6475. E= 0.68616914E+03 F= 0.63260371E+03 E0= 0.66272718E+03 EK= 0.53565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363078817750E+03 -0.15036E+00 -0.17109E-01 8148 0.232E+01 0.400E-01 RMM: 2 -0.363085656247E+03 -0.68385E-02 -0.78357E-02 5184 0.612E-01 0.703E-01 RMM: 3 -0.363082719351E+03 0.29369E-02 -0.72703E-03 5374 0.190E-01 0.406E-01 RMM: 4 -0.363083909178E+03 -0.11898E-02 -0.27451E-03 5042 0.135E-01 0.600E-01 RMM: 5 -0.363081657588E+03 0.22516E-02 -0.13801E-03 4604 0.100E-01 0.156E-01 RMM: 6 -0.363081581265E+03 0.76323E-04 -0.30045E-04 3928 0.445E-02 0.123E-01 RMM: 7 -0.363081522467E+03 0.58798E-04 -0.10805E-04 3853 0.328E-02 0.875E-02 RMM: 8 -0.363081474766E+03 0.47701E-04 -0.23762E-05 2691 0.151E-02 0.288E-02 RMM: 9 -0.363081484866E+03 -0.10100E-04 -0.14336E-05 2493 0.109E-02 717 T= 6210. E= 0.68434786E+03 F= 0.63297435E+03 E0= 0.66314173E+03 EK= 0.51374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363254612639E+03 -0.17314E+00 -0.16271E-01 8256 0.228E+01 0.448E-01 RMM: 2 -0.363260033325E+03 -0.54207E-02 -0.74989E-02 5375 0.589E-01 0.615E-01 RMM: 3 -0.363258173059E+03 0.18603E-02 -0.66724E-03 5366 0.181E-01 0.473E-01 RMM: 4 -0.363258883711E+03 -0.71065E-03 -0.28368E-03 4900 0.140E-01 0.606E-01 RMM: 5 -0.363256611281E+03 0.22724E-02 -0.12623E-03 4608 0.939E-02 0.128E-01 RMM: 6 -0.363256677826E+03 -0.66545E-04 -0.27985E-04 3904 0.430E-02 0.173E-01 RMM: 7 -0.363256530820E+03 0.14701E-03 -0.14849E-04 3872 0.374E-02 0.960E-02 RMM: 8 -0.363256483744E+03 0.47076E-04 -0.46412E-05 3199 0.201E-02 0.457E-02 RMM: 9 -0.363256516242E+03 -0.32498E-04 -0.28335E-05 2758 0.153E-02 0.769E-02 RMM: 10 -0.363256487728E+03 0.28514E-04 -0.19688E-05 2548 0.142E-02 0.252E-02 RMM: 11 -0.363256485702E+03 0.20258E-05 -0.46248E-06 2431 0.625E-03 718 T= 6044. E= 0.68332472E+03 F= 0.63332771E+03 E0= 0.66354092E+03 EK= 0.49997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363468432851E+03 -0.21195E+00 -0.16212E-01 8352 0.226E+01 0.433E-01 RMM: 2 -0.363474812184E+03 -0.63793E-02 -0.84299E-02 5206 0.632E-01 0.632E-01 RMM: 3 -0.363472856244E+03 0.19559E-02 -0.81219E-03 5390 0.197E-01 0.457E-01 RMM: 4 -0.363473747966E+03 -0.89172E-03 -0.25519E-03 5077 0.129E-01 0.606E-01 RMM: 5 -0.363471411003E+03 0.23370E-02 -0.12626E-03 4608 0.943E-02 0.137E-01 RMM: 6 -0.363471428838E+03 -0.17835E-04 -0.28930E-04 3899 0.428E-02 0.157E-01 RMM: 7 -0.363471307814E+03 0.12102E-03 -0.12265E-04 3875 0.346E-02 0.856E-02 RMM: 8 -0.363471269209E+03 0.38605E-04 -0.27812E-05 2859 0.159E-02 0.405E-02 RMM: 9 -0.363471289197E+03 -0.19987E-04 -0.23458E-05 2628 0.137E-02 719 T= 6025. E= 0.68348591E+03 F= 0.63364084E+03 E0= 0.66390254E+03 EK= 0.49845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363718370750E+03 -0.24710E+00 -0.16663E-01 8352 0.227E+01 0.443E-01 RMM: 2 -0.363726162251E+03 -0.77915E-02 -0.86653E-02 5309 0.631E-01 0.757E-01 RMM: 3 -0.363722639495E+03 0.35228E-02 -0.78789E-03 5415 0.193E-01 0.414E-01 RMM: 4 -0.363723794624E+03 -0.11551E-02 -0.26290E-03 5033 0.130E-01 0.607E-01 RMM: 5 -0.363721463443E+03 0.23312E-02 -0.12279E-03 4605 0.930E-02 0.138E-01 RMM: 6 -0.363721436531E+03 0.26912E-04 -0.25822E-04 3907 0.405E-02 0.133E-01 RMM: 7 -0.363721406460E+03 0.30070E-04 -0.10557E-04 3774 0.303E-02 0.119E-01 RMM: 8 -0.363721324021E+03 0.82439E-04 -0.46505E-05 3245 0.202E-02 0.372E-02 RMM: 9 -0.363721349841E+03 -0.25819E-04 -0.22799E-05 2621 0.135E-02 0.691E-02 RMM: 10 -0.363721330363E+03 0.19477E-04 -0.15690E-05 2519 0.128E-02 720 T= 6161. E= 0.68487716E+03 F= 0.63391200E+03 E0= 0.66422454E+03 EK= 0.50965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363977418224E+03 -0.25607E+00 -0.17388E-01 8352 0.230E+01 0.437E-01 RMM: 2 -0.363984437704E+03 -0.70195E-02 -0.98760E-02 5248 0.670E-01 0.535E-01 RMM: 3 -0.363983677933E+03 0.75977E-03 -0.95515E-03 5412 0.210E-01 0.542E-01 RMM: 4 -0.363983534460E+03 0.14347E-03 -0.20096E-03 4921 0.110E-01 0.550E-01 RMM: 5 -0.363981614405E+03 0.19201E-02 -0.10067E-03 4610 0.819E-02 0.112E-01 RMM: 6 -0.363981673889E+03 -0.59484E-04 -0.23041E-04 3884 0.379E-02 0.153E-01 RMM: 7 -0.363981565401E+03 0.10849E-03 -0.85160E-05 3703 0.278E-02 0.884E-02 RMM: 8 -0.363981520077E+03 0.45324E-04 -0.35869E-05 3066 0.173E-02 0.377E-02 RMM: 9 -0.363981541933E+03 -0.21856E-04 -0.23566E-05 2617 0.138E-02 0.660E-02 RMM: 10 -0.363981521278E+03 0.20656E-04 -0.15785E-05 2521 0.129E-02 0.218E-02 RMM: 11 -0.363981519776E+03 0.15012E-05 -0.34749E-06 2426 0.538E-03 721 T= 6412. E= 0.68720271E+03 F= 0.63416103E+03 E0= 0.66452694E+03 EK= 0.53042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364211046131E+03 -0.22952E+00 -0.18494E-01 8568 0.235E+01 0.446E-01 RMM: 2 -0.364220958365E+03 -0.99122E-02 -0.11066E-01 5293 0.713E-01 0.764E-01 RMM: 3 -0.364217644207E+03 0.33142E-02 -0.10482E-02 5478 0.210E-01 0.430E-01 RMM: 4 -0.364218515410E+03 -0.87120E-03 -0.22677E-03 4988 0.116E-01 0.590E-01 RMM: 5 -0.364216331788E+03 0.21836E-02 -0.10672E-03 4606 0.858E-02 0.144E-01 RMM: 6 -0.364216268213E+03 0.63575E-04 -0.25137E-04 3899 0.395E-02 0.115E-01 RMM: 7 -0.364216229431E+03 0.38782E-04 -0.76485E-05 3608 0.261E-02 0.937E-02 RMM: 8 -0.364216179808E+03 0.49623E-04 -0.28201E-05 2890 0.160E-02 0.374E-02 RMM: 9 -0.364216198793E+03 -0.18985E-04 -0.22613E-05 2597 0.132E-02 722 T= 6698. E= 0.68982898E+03 F= 0.63442131E+03 E0= 0.66484273E+03 EK= 0.55408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364385019688E+03 -0.16884E+00 -0.19886E-01 8436 0.239E+01 0.448E-01 RMM: 2 -0.364396690788E+03 -0.11671E-01 -0.12198E-01 5246 0.750E-01 0.823E-01 RMM: 3 -0.364392405843E+03 0.42849E-02 -0.11273E-02 5479 0.223E-01 0.406E-01 RMM: 4 -0.364393748709E+03 -0.13429E-02 -0.25703E-03 5056 0.122E-01 0.630E-01 RMM: 5 -0.364391268468E+03 0.24802E-02 -0.12563E-03 4609 0.933E-02 0.157E-01 RMM: 6 -0.364391182420E+03 0.86048E-04 -0.27803E-04 3926 0.420E-02 0.118E-01 RMM: 7 -0.364391205135E+03 -0.22715E-04 -0.10197E-04 3755 0.286E-02 0.136E-01 RMM: 8 -0.364391092124E+03 0.11301E-03 -0.54421E-05 3360 0.215E-02 0.361E-02 RMM: 9 -0.364391110858E+03 -0.18734E-04 -0.20925E-05 2582 0.128E-02 723 T= 6912. E= 0.69190972E+03 F= 0.63472843E+03 E0= 0.66520616E+03 EK= 0.57181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364482412928E+03 -0.91321E-01 -0.20097E-01 8532 0.241E+01 0.452E-01 RMM: 2 -0.364499395045E+03 -0.16982E-01 -0.12555E-01 5291 0.754E-01 0.120E+00 RMM: 3 -0.364489539876E+03 0.98552E-02 -0.11543E-02 5446 0.231E-01 0.344E-01 RMM: 4 -0.364491393876E+03 -0.18540E-02 -0.31392E-03 5083 0.137E-01 0.655E-01 RMM: 5 -0.364488857744E+03 0.25361E-02 -0.13065E-03 4607 0.954E-02 0.216E-01 RMM: 6 -0.364488608746E+03 0.24900E-03 -0.31647E-04 3909 0.449E-02 0.102E-01 RMM: 7 -0.364488671185E+03 -0.62438E-04 -0.13040E-04 3876 0.309E-02 0.146E-01 RMM: 8 -0.364488540827E+03 0.13036E-03 -0.65752E-05 3474 0.235E-02 0.397E-02 RMM: 9 -0.364488549399E+03 -0.85725E-05 -0.19884E-05 2565 0.126E-02 724 T= 6965. E= 0.69272272E+03 F= 0.63510452E+03 E0= 0.66563898E+03 EK= 0.57618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364512143624E+03 -0.23603E-01 -0.20565E-01 8544 0.240E+01 0.452E-01 RMM: 2 -0.364529943278E+03 -0.17800E-01 -0.12767E-01 5220 0.770E-01 0.124E+00 RMM: 3 -0.364519398890E+03 0.10544E-01 -0.11892E-02 5450 0.238E-01 0.331E-01 RMM: 4 -0.364521105125E+03 -0.17062E-02 -0.32153E-03 5162 0.137E-01 0.633E-01 RMM: 5 -0.364518771300E+03 0.23338E-02 -0.13476E-03 4602 0.975E-02 0.231E-01 RMM: 6 -0.364518500991E+03 0.27031E-03 -0.37212E-04 4128 0.493E-02 0.122E-01 RMM: 7 -0.364518581306E+03 -0.80315E-04 -0.17103E-04 3872 0.355E-02 0.167E-01 RMM: 8 -0.364518411553E+03 0.16975E-03 -0.83948E-05 3590 0.269E-02 0.474E-02 RMM: 9 -0.364518411096E+03 0.45670E-06 -0.19599E-05 2556 0.125E-02 725 T= 6833. E= 0.69207303E+03 F= 0.63554549E+03 E0= 0.66613478E+03 EK= 0.56528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364512820216E+03 0.55913E-02 -0.19564E-01 8496 0.236E+01 0.443E-01 RMM: 2 -0.364532539131E+03 -0.19719E-01 -0.11746E-01 5255 0.739E-01 0.139E+00 RMM: 3 -0.364519337397E+03 0.13202E-01 -0.11566E-02 5389 0.243E-01 0.333E-01 RMM: 4 -0.364520779115E+03 -0.14417E-02 -0.32005E-03 5208 0.136E-01 0.602E-01 RMM: 5 -0.364518819276E+03 0.19598E-02 -0.13829E-03 4604 0.100E-01 0.262E-01 RMM: 6 -0.364518448384E+03 0.37089E-03 -0.38225E-04 4192 0.502E-02 0.112E-01 RMM: 7 -0.364518513888E+03 -0.65504E-04 -0.16825E-04 3880 0.357E-02 0.156E-01 RMM: 8 -0.364518368220E+03 0.14567E-03 -0.73954E-05 3523 0.255E-02 0.419E-02 RMM: 9 -0.364518375912E+03 -0.76920E-05 -0.20324E-05 2564 0.128E-02 726 T= 6575. E= 0.69041532E+03 F= 0.63601881E+03 E0= 0.66666059E+03 EK= 0.54397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364537978564E+03 -0.19610E-01 -0.18261E-01 8244 0.231E+01 0.434E-01 RMM: 2 -0.364556519757E+03 -0.18541E-01 -0.11786E-01 5161 0.749E-01 0.131E+00 RMM: 3 -0.364544851567E+03 0.11668E-01 -0.11816E-02 5406 0.242E-01 0.349E-01 RMM: 4 -0.364545677332E+03 -0.82576E-03 -0.29462E-03 5204 0.130E-01 0.527E-01 RMM: 5 -0.364544217961E+03 0.14594E-02 -0.14127E-03 4612 0.102E-01 0.261E-01 RMM: 6 -0.364543865694E+03 0.35227E-03 -0.39657E-04 4229 0.512E-02 0.131E-01 RMM: 7 -0.364543927788E+03 -0.62094E-04 -0.22627E-04 3881 0.422E-02 0.167E-01 RMM: 8 -0.364543760511E+03 0.16728E-03 -0.98140E-05 3690 0.295E-02 0.507E-02 RMM: 9 -0.364543758269E+03 0.22420E-05 -0.19212E-05 2553 0.125E-02 727 T= 6298. E= 0.68856920E+03 F= 0.63647184E+03 E0= 0.66716241E+03 EK= 0.52097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364646383071E+03 -0.10262E+00 -0.17192E-01 8016 0.226E+01 0.425E-01 RMM: 2 -0.364663450441E+03 -0.17067E-01 -0.10373E-01 5144 0.706E-01 0.130E+00 RMM: 3 -0.364652117008E+03 0.11333E-01 -0.10790E-02 5388 0.236E-01 0.321E-01 RMM: 4 -0.364653489205E+03 -0.13722E-02 -0.29354E-03 5194 0.132E-01 0.592E-01 RMM: 5 -0.364651555968E+03 0.19332E-02 -0.14426E-03 4611 0.103E-01 0.237E-01 RMM: 6 -0.364651308216E+03 0.24775E-03 -0.38870E-04 4254 0.506E-02 0.140E-01 RMM: 7 -0.364651310220E+03 -0.20048E-05 -0.19975E-04 3884 0.407E-02 728 T= 6099. E= 0.68730603E+03 F= 0.63684714E+03 E0= 0.66758279E+03 EK= 0.50459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364881945198E+03 -0.23064E+00 -0.16735E-01 7920 0.224E+01 0.462E-01 RMM: 2 -0.364894539285E+03 -0.12594E-01 -0.95943E-02 5109 0.681E-01 0.107E+00 RMM: 3 -0.364886874945E+03 0.76643E-02 -0.10058E-02 5399 0.227E-01 0.384E-01 RMM: 4 -0.364888597783E+03 -0.17228E-02 -0.31920E-03 5192 0.139E-01 0.666E-01 RMM: 5 -0.364886053562E+03 0.25442E-02 -0.18112E-03 4640 0.117E-01 0.251E-01 RMM: 6 -0.364885795953E+03 0.25761E-03 -0.54197E-04 4559 0.592E-02 0.163E-01 RMM: 7 -0.364885835388E+03 -0.39435E-04 -0.25346E-04 3889 0.450E-02 0.183E-01 RMM: 8 -0.364885630808E+03 0.20458E-03 -0.10694E-04 3789 0.308E-02 0.553E-02 RMM: 9 -0.364885644043E+03 -0.13234E-04 -0.38332E-05 3087 0.169E-02 729 T= 6045. E= 0.68710416E+03 F= 0.63709629E+03 E0= 0.66787409E+03 EK= 0.50008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365268783540E+03 -0.38315E+00 -0.16662E-01 8028 0.225E+01 0.369E-01 RMM: 2 -0.365284805927E+03 -0.16022E-01 -0.84800E-02 5060 0.649E-01 0.130E+00 RMM: 3 -0.365273459082E+03 0.11347E-01 -0.93459E-03 5396 0.219E-01 0.232E-01 RMM: 4 -0.365274830381E+03 -0.13713E-02 -0.22443E-03 5157 0.116E-01 0.536E-01 RMM: 5 -0.365273139956E+03 0.16904E-02 -0.91398E-04 4603 0.814E-02 0.169E-01 RMM: 6 -0.365273009552E+03 0.13040E-03 -0.24577E-04 3890 0.400E-02 0.102E-01 RMM: 7 -0.365273046826E+03 -0.37274E-04 -0.10676E-04 3772 0.294E-02 0.131E-01 RMM: 8 -0.365272942919E+03 0.10391E-03 -0.46095E-05 3252 0.204E-02 0.314E-02 RMM: 9 -0.365272941835E+03 0.10834E-05 -0.90253E-06 2472 0.850E-03 730 T= 6153. E= 0.68808692E+03 F= 0.63718775E+03 E0= 0.66800455E+03 EK= 0.50899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365813899707E+03 -0.54096E+00 -0.16482E-01 7956 0.228E+01 0.456E-01 RMM: 2 -0.365826720081E+03 -0.12820E-01 -0.78367E-02 5127 0.647E-01 0.124E+00 RMM: 3 -0.365817159650E+03 0.95604E-02 -0.95448E-03 5361 0.227E-01 0.360E-01 RMM: 4 -0.365818762350E+03 -0.16027E-02 -0.32552E-03 5148 0.140E-01 0.624E-01 RMM: 5 -0.365816514349E+03 0.22480E-02 -0.13548E-03 4608 0.988E-02 0.249E-01 RMM: 6 -0.365816167910E+03 0.34644E-03 -0.31807E-04 3957 0.456E-02 0.108E-01 RMM: 7 -0.365816242908E+03 -0.74998E-04 -0.17163E-04 3883 0.362E-02 0.156E-01 RMM: 8 -0.365816094400E+03 0.14851E-03 -0.84460E-05 3586 0.269E-02 0.439E-02 RMM: 9 -0.365816098366E+03 -0.39659E-05 -0.23792E-05 2697 0.139E-02 731 T= 6395. E= 0.69001679E+03 F= 0.63711379E+03 E0= 0.66796605E+03 EK= 0.52903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366488491502E+03 -0.67240E+00 -0.16986E-01 7848 0.233E+01 0.425E-01 RMM: 2 -0.366501908625E+03 -0.13417E-01 -0.78753E-02 5090 0.644E-01 0.124E+00 RMM: 3 -0.366492302283E+03 0.96063E-02 -0.95697E-03 5367 0.225E-01 0.325E-01 RMM: 4 -0.366494049048E+03 -0.17468E-02 -0.28961E-03 5139 0.130E-01 0.623E-01 RMM: 5 -0.366491693460E+03 0.23556E-02 -0.12156E-03 4604 0.930E-02 0.171E-01 RMM: 6 -0.366491557975E+03 0.13548E-03 -0.21611E-04 3880 0.368E-02 0.104E-01 RMM: 7 -0.366491601915E+03 -0.43940E-04 -0.11955E-04 3870 0.295E-02 0.131E-01 RMM: 8 -0.366491498212E+03 0.10370E-03 -0.58635E-05 3381 0.228E-02 0.415E-02 RMM: 9 -0.366491498648E+03 -0.43592E-06 -0.15710E-05 2515 0.112E-02 732 T= 6696. E= 0.69228805E+03 F= 0.63689565E+03 E0= 0.66777965E+03 EK= 0.55392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367242176823E+03 -0.75068E+00 -0.17859E-01 8028 0.238E+01 0.436E-01 RMM: 2 -0.367254670740E+03 -0.12494E-01 -0.82174E-02 5076 0.672E-01 0.117E+00 RMM: 3 -0.367246035703E+03 0.86350E-02 -0.92679E-03 5369 0.220E-01 0.326E-01 RMM: 4 -0.367247844932E+03 -0.18092E-02 -0.29775E-03 5132 0.132E-01 0.633E-01 RMM: 5 -0.367245413405E+03 0.24315E-02 -0.12605E-03 4598 0.947E-02 0.181E-01 RMM: 6 -0.367245240716E+03 0.17269E-03 -0.21916E-04 3880 0.371E-02 0.917E-02 RMM: 7 -0.367245301757E+03 -0.61041E-04 -0.99035E-05 3740 0.270E-02 0.138E-01 RMM: 8 -0.367245184941E+03 0.11682E-03 -0.52958E-05 3314 0.217E-02 0.313E-02 RMM: 9 -0.367245198289E+03 -0.13347E-04 -0.17017E-05 2532 0.113E-02 733 T= 6943. E= 0.69402237E+03 F= 0.63658827E+03 E0= 0.66749921E+03 EK= 0.57434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368003090728E+03 -0.75791E+00 -0.18075E-01 8280 0.241E+01 0.434E-01 RMM: 2 -0.368013701084E+03 -0.10610E-01 -0.78429E-02 5155 0.659E-01 0.106E+00 RMM: 3 -0.368006765439E+03 0.69356E-02 -0.91053E-03 5352 0.221E-01 0.369E-01 RMM: 4 -0.368008428752E+03 -0.16633E-02 -0.27922E-03 5130 0.129E-01 0.632E-01 RMM: 5 -0.368005974352E+03 0.24544E-02 -0.12092E-03 4608 0.929E-02 0.175E-01 RMM: 6 -0.368005810064E+03 0.16429E-03 -0.19834E-04 3880 0.354E-02 0.882E-02 RMM: 7 -0.368005861078E+03 -0.51013E-04 -0.10302E-04 3755 0.271E-02 0.129E-01 RMM: 8 -0.368005760341E+03 0.10074E-03 -0.54924E-05 3347 0.220E-02 0.341E-02 RMM: 9 -0.368005769556E+03 -0.92151E-05 -0.18553E-05 2539 0.121E-02 734 T= 7027. E= 0.69439857E+03 F= 0.63626723E+03 E0= 0.66719999E+03 EK= 0.58131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368702629710E+03 -0.69687E+00 -0.18226E-01 8268 0.241E+01 0.426E-01 RMM: 2 -0.368711679614E+03 -0.90499E-02 -0.81766E-02 5074 0.662E-01 0.905E-01 RMM: 3 -0.368706756674E+03 0.49229E-02 -0.87624E-03 5386 0.211E-01 0.374E-01 RMM: 4 -0.368708223082E+03 -0.14664E-02 -0.26799E-03 5124 0.126E-01 0.618E-01 RMM: 5 -0.368705872574E+03 0.23505E-02 -0.12510E-03 4605 0.936E-02 0.157E-01 RMM: 6 -0.368705771517E+03 0.10106E-03 -0.21103E-04 3888 0.365E-02 0.107E-01 RMM: 7 -0.368705798262E+03 -0.26745E-04 -0.10829E-04 3825 0.285E-02 0.127E-01 RMM: 8 -0.368705699324E+03 0.98938E-04 -0.58278E-05 3372 0.224E-02 0.362E-02 RMM: 9 -0.368705708868E+03 -0.95443E-05 -0.18037E-05 2545 0.119E-02 735 T= 6904. E= 0.69312379E+03 F= 0.63600583E+03 E0= 0.66695409E+03 EK= 0.57118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369298766172E+03 -0.59307E+00 -0.17954E-01 8136 0.238E+01 0.417E-01 RMM: 2 -0.369308437497E+03 -0.96713E-02 -0.80599E-02 4990 0.650E-01 0.956E-01 RMM: 3 -0.369302812039E+03 0.56255E-02 -0.89891E-03 5365 0.216E-01 0.364E-01 RMM: 4 -0.369304402844E+03 -0.15908E-02 -0.26655E-03 5171 0.128E-01 0.624E-01 RMM: 5 -0.369301982217E+03 0.24206E-02 -0.12018E-03 4608 0.928E-02 0.150E-01 RMM: 6 -0.369301906658E+03 0.75559E-04 -0.20947E-04 3883 0.360E-02 0.114E-01 RMM: 7 -0.369301900648E+03 0.60100E-05 -0.92320E-05 3705 0.275E-02 736 T= 6624. E= 0.69065011E+03 F= 0.63585268E+03 E0= 0.66680996E+03 EK= 0.54797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369780037108E+03 -0.47813E+00 -0.17078E-01 8088 0.233E+01 0.428E-01 RMM: 2 -0.369787725217E+03 -0.76881E-02 -0.74939E-02 5026 0.615E-01 0.817E-01 RMM: 3 -0.369783686197E+03 0.40390E-02 -0.79198E-03 5375 0.202E-01 0.394E-01 RMM: 4 -0.369785173981E+03 -0.14878E-02 -0.28101E-03 5141 0.133E-01 0.636E-01 RMM: 5 -0.369782680434E+03 0.24935E-02 -0.14395E-03 4608 0.102E-01 0.161E-01 RMM: 6 -0.369782639060E+03 0.41375E-04 -0.28696E-04 3901 0.425E-02 0.149E-01 RMM: 7 -0.369782598462E+03 0.40597E-04 -0.14084E-04 3876 0.351E-02 0.129E-01 RMM: 8 -0.369782500051E+03 0.98411E-04 -0.65280E-05 3442 0.235E-02 0.416E-02 RMM: 9 -0.369782527203E+03 -0.27152E-04 -0.28539E-05 2832 0.149E-02 0.720E-02 RMM: 10 -0.369782510338E+03 0.16865E-04 -0.21602E-05 2546 0.150E-02 737 T= 6296. E= 0.68790644E+03 F= 0.63582274E+03 E0= 0.66678452E+03 EK= 0.52084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370156209072E+03 -0.37368E+00 -0.16027E-01 7992 0.228E+01 0.351E-01 RMM: 2 -0.370163454515E+03 -0.72454E-02 -0.76974E-02 4908 0.613E-01 0.657E-01 RMM: 3 -0.370160569588E+03 0.28849E-02 -0.75273E-03 5393 0.193E-01 0.329E-01 RMM: 4 -0.370161611241E+03 -0.10417E-02 -0.19000E-03 5031 0.112E-01 0.534E-01 RMM: 5 -0.370159794617E+03 0.18166E-02 -0.88310E-04 4609 0.791E-02 0.115E-01 RMM: 6 -0.370159822636E+03 -0.28018E-04 -0.24581E-04 3906 0.398E-02 0.138E-01 RMM: 7 -0.370159754929E+03 0.67707E-04 -0.89649E-05 3707 0.291E-02 0.954E-02 RMM: 8 -0.370159697975E+03 0.56953E-04 -0.24855E-05 2732 0.152E-02 0.260E-02 RMM: 9 -0.370159706230E+03 -0.82549E-05 -0.12859E-05 2468 0.103E-02 738 T= 6034. E= 0.68581676E+03 F= 0.63590338E+03 E0= 0.66686494E+03 EK= 0.49913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370451047888E+03 -0.29135E+00 -0.15217E-01 8160 0.225E+01 0.390E-01 RMM: 2 -0.370455858533E+03 -0.48106E-02 -0.66676E-02 5101 0.566E-01 0.519E-01 RMM: 3 -0.370454619066E+03 0.12395E-02 -0.61327E-03 5396 0.175E-01 0.440E-01 RMM: 4 -0.370454936409E+03 -0.31734E-03 -0.20336E-03 5028 0.116E-01 0.521E-01 RMM: 5 -0.370453275162E+03 0.16612E-02 -0.10153E-03 4607 0.840E-02 0.134E-01 RMM: 6 -0.370453304387E+03 -0.29225E-04 -0.25890E-04 3920 0.411E-02 0.155E-01 RMM: 7 -0.370453217651E+03 0.86736E-04 -0.11947E-04 3862 0.335E-02 0.110E-01 RMM: 8 -0.370453146637E+03 0.71014E-04 -0.39619E-05 3140 0.186E-02 0.339E-02 RMM: 9 -0.370453173785E+03 -0.27147E-04 -0.22821E-05 2577 0.134E-02 0.669E-02 RMM: 10 -0.370453153003E+03 0.20782E-04 -0.16393E-05 2518 0.127E-02 0.204E-02 RMM: 11 -0.370453151846E+03 0.11568E-05 -0.34620E-06 2420 0.536E-03 739 T= 5914. E= 0.68499657E+03 F= 0.63607083E+03 E0= 0.66702799E+03 EK= 0.48926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370671484537E+03 -0.21833E+00 -0.15474E-01 8040 0.225E+01 0.366E-01 RMM: 2 -0.370677880469E+03 -0.63959E-02 -0.77249E-02 4892 0.622E-01 0.562E-01 RMM: 3 -0.370676172455E+03 0.17080E-02 -0.78988E-03 5458 0.190E-01 0.391E-01 RMM: 4 -0.370676820154E+03 -0.64770E-03 -0.21109E-03 5088 0.118E-01 0.525E-01 RMM: 5 -0.370675077718E+03 0.17424E-02 -0.10209E-03 4603 0.841E-02 0.108E-01 RMM: 6 -0.370675176290E+03 -0.98571E-04 -0.23870E-04 3888 0.392E-02 0.170E-01 RMM: 7 -0.370675044386E+03 0.13190E-03 -0.10658E-04 3825 0.313E-02 0.942E-02 RMM: 8 -0.370674992261E+03 0.52125E-04 -0.33544E-05 3030 0.171E-02 0.330E-02 RMM: 9 -0.370675007645E+03 -0.15383E-04 -0.18532E-05 2525 0.122E-02 740 T= 5970. E= 0.68569185E+03 F= 0.63630650E+03 E0= 0.66725670E+03 EK= 0.49385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370819091225E+03 -0.14410E+00 -0.15424E-01 8256 0.228E+01 0.366E-01 RMM: 2 -0.370825242138E+03 -0.61509E-02 -0.63286E-02 5087 0.555E-01 0.684E-01 RMM: 3 -0.370822246321E+03 0.29958E-02 -0.59762E-03 5403 0.170E-01 0.323E-01 RMM: 4 -0.370823202394E+03 -0.95607E-03 -0.17964E-03 4835 0.107E-01 0.525E-01 RMM: 5 -0.370821480495E+03 0.17219E-02 -0.84992E-04 4593 0.768E-02 0.103E-01 RMM: 6 -0.370821540321E+03 -0.59826E-04 -0.18774E-04 3888 0.345E-02 0.145E-01 RMM: 7 -0.370821459623E+03 0.80698E-04 -0.79097E-05 3634 0.265E-02 0.962E-02 RMM: 8 -0.370821404295E+03 0.55329E-04 -0.35485E-05 3075 0.177E-02 0.299E-02 RMM: 9 -0.370821423346E+03 -0.19051E-04 -0.17521E-05 2531 0.117E-02 741 T= 6188. E= 0.68779676E+03 F= 0.63660765E+03 E0= 0.66754784E+03 EK= 0.51189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370871357762E+03 -0.49953E-01 -0.15937E-01 8136 0.233E+01 0.373E-01 RMM: 2 -0.370877593905E+03 -0.62361E-02 -0.68120E-02 4991 0.587E-01 0.662E-01 RMM: 3 -0.370875062518E+03 0.25314E-02 -0.70612E-03 5403 0.185E-01 0.369E-01 RMM: 4 -0.370875831191E+03 -0.76867E-03 -0.19714E-03 4972 0.110E-01 0.517E-01 RMM: 5 -0.370874150286E+03 0.16809E-02 -0.97078E-04 4606 0.823E-02 0.135E-01 RMM: 6 -0.370874107400E+03 0.42886E-04 -0.18316E-04 3880 0.340E-02 0.113E-01 RMM: 7 -0.370874085990E+03 0.21410E-04 -0.77219E-05 3606 0.258E-02 0.102E-01 RMM: 8 -0.370874022424E+03 0.63566E-04 -0.35168E-05 3063 0.179E-02 0.286E-02 RMM: 9 -0.370874038226E+03 -0.15802E-04 -0.18362E-05 2524 0.118E-02 742 T= 6509. E= 0.69083604E+03 F= 0.63698813E+03 E0= 0.66791546E+03 EK= 0.53848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370803336873E+03 0.70686E-01 -0.16453E-01 8352 0.239E+01 0.374E-01 RMM: 2 -0.370810736178E+03 -0.73993E-02 -0.63970E-02 5119 0.585E-01 0.847E-01 RMM: 3 -0.370806409953E+03 0.43262E-02 -0.66503E-03 5414 0.180E-01 0.301E-01 RMM: 4 -0.370807483827E+03 -0.10739E-02 -0.19322E-03 4918 0.108E-01 0.522E-01 RMM: 5 -0.370805758471E+03 0.17254E-02 -0.92502E-04 4600 0.803E-02 0.108E-01 RMM: 6 -0.370805764922E+03 -0.64507E-05 -0.16668E-04 3882 0.322E-02 743 T= 6829. E= 0.69396729E+03 F= 0.63747400E+03 E0= 0.66838432E+03 EK= 0.56493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370590767707E+03 0.21499E+00 -0.16701E-01 8184 0.244E+01 0.484E-01 RMM: 2 -0.370615039027E+03 -0.24271E-01 -0.80064E-02 5039 0.678E-01 0.180E+00 RMM: 3 -0.370594552806E+03 0.20486E-01 -0.14321E-02 5340 0.290E-01 0.418E-01 RMM: 4 -0.370594781016E+03 -0.22821E-03 -0.31316E-03 5304 0.130E-01 0.471E-01 RMM: 5 -0.370593987177E+03 0.79384E-03 -0.10749E-03 4612 0.837E-02 0.339E-01 RMM: 6 -0.370593282898E+03 0.70428E-03 -0.48554E-04 4295 0.582E-02 0.102E-01 RMM: 7 -0.370593389163E+03 -0.10626E-03 -0.18096E-04 3888 0.346E-02 0.166E-01 RMM: 8 -0.370593230039E+03 0.15912E-03 -0.81591E-05 3640 0.272E-02 0.561E-02 RMM: 9 -0.370593221622E+03 0.84176E-05 -0.23152E-05 2723 0.138E-02 744 T= 7022. E= 0.69618347E+03 F= 0.63809117E+03 E0= 0.66898373E+03 EK= 0.58092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370232401523E+03 0.36083E+00 -0.16768E-01 7740 0.246E+01 0.428E-01 RMM: 2 -0.370256964376E+03 -0.24563E-01 -0.79606E-02 4940 0.671E-01 0.177E+00 RMM: 3 -0.370236705100E+03 0.20259E-01 -0.13344E-02 5349 0.279E-01 0.412E-01 RMM: 4 -0.370236490298E+03 0.21480E-03 -0.30594E-03 5291 0.128E-01 0.389E-01 RMM: 5 -0.370235995036E+03 0.49526E-03 -0.87274E-04 4610 0.793E-02 0.290E-01 RMM: 6 -0.370235457803E+03 0.53723E-03 -0.27143E-04 3910 0.440E-02 0.645E-02 RMM: 7 -0.370235518023E+03 -0.60220E-04 -0.11138E-04 3809 0.276E-02 0.117E-01 RMM: 8 -0.370235434733E+03 0.83290E-04 -0.43974E-05 3191 0.206E-02 0.367E-02 RMM: 9 -0.370235429267E+03 0.54663E-05 -0.96032E-06 2475 0.885E-03 745 T= 7004. E= 0.69678767E+03 F= 0.63884565E+03 E0= 0.66971762E+03 EK= 0.57942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369760023531E+03 0.47541E+00 -0.16201E-01 7692 0.244E+01 0.400E-01 RMM: 2 -0.369774510023E+03 -0.14486E-01 -0.73696E-02 5005 0.647E-01 0.129E+00 RMM: 3 -0.369763913113E+03 0.10597E-01 -0.97519E-03 5369 0.226E-01 0.299E-01 RMM: 4 -0.369764879835E+03 -0.96672E-03 -0.25517E-03 5147 0.121E-01 0.509E-01 RMM: 5 -0.369763373666E+03 0.15062E-02 -0.10610E-03 4611 0.872E-02 0.188E-01 RMM: 6 -0.369763206032E+03 0.16763E-03 -0.21911E-04 3884 0.381E-02 0.107E-01 RMM: 7 -0.369763234951E+03 -0.28919E-04 -0.11877E-04 3841 0.301E-02 0.131E-01 RMM: 8 -0.369763129960E+03 0.10499E-03 -0.57929E-05 3385 0.225E-02 0.348E-02 RMM: 9 -0.369763140132E+03 -0.10172E-04 -0.16215E-05 2524 0.112E-02 746 T= 6783. E= 0.69582793E+03 F= 0.63971228E+03 E0= 0.67056275E+03 EK= 0.56116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369230449472E+03 0.53268E+00 -0.15473E-01 7452 0.239E+01 0.372E-01 RMM: 2 -0.369242685777E+03 -0.12236E-01 -0.65210E-02 5090 0.614E-01 0.120E+00 RMM: 3 -0.369233667536E+03 0.90182E-02 -0.82106E-03 5362 0.208E-01 0.263E-01 RMM: 4 -0.369234577164E+03 -0.90963E-03 -0.20503E-03 4970 0.109E-01 0.477E-01 RMM: 5 -0.369233262341E+03 0.13148E-02 -0.93345E-04 4608 0.829E-02 0.182E-01 RMM: 6 -0.369233115130E+03 0.14721E-03 -0.25312E-04 3897 0.410E-02 0.107E-01 RMM: 7 -0.369233159010E+03 -0.43881E-04 -0.10413E-04 3775 0.296E-02 0.137E-01 RMM: 8 -0.369233045043E+03 0.11397E-03 -0.51904E-05 3308 0.214E-02 0.333E-02 RMM: 9 -0.369233052817E+03 -0.77742E-05 -0.14245E-05 2511 0.106E-02 747 T= 6457. E= 0.69405840E+03 F= 0.64063850E+03 E0= 0.67146757E+03 EK= 0.53420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368710628624E+03 0.52242E+00 -0.14967E-01 7704 0.233E+01 0.344E-01 RMM: 2 -0.368718692779E+03 -0.80642E-02 -0.61605E-02 5049 0.588E-01 0.869E-01 RMM: 3 -0.368713926438E+03 0.47663E-02 -0.68096E-03 5381 0.182E-01 0.268E-01 RMM: 4 -0.368714819049E+03 -0.89261E-03 -0.20021E-03 4975 0.112E-01 0.475E-01 RMM: 5 -0.368713450545E+03 0.13685E-02 -0.96893E-04 4598 0.843E-02 0.152E-01 RMM: 6 -0.368713385465E+03 0.65079E-04 -0.20233E-04 3891 0.362E-02 0.120E-01 RMM: 7 -0.368713365564E+03 0.19901E-04 -0.10676E-04 3838 0.302E-02 748 T= 6154. E= 0.69246964E+03 F= 0.64155733E+03 E0= 0.67236632E+03 EK= 0.50912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368259723485E+03 0.45366E+00 -0.14435E-01 7644 0.229E+01 0.382E-01 RMM: 2 -0.368266759519E+03 -0.70360E-02 -0.56396E-02 5130 0.572E-01 0.874E-01 RMM: 3 -0.368262273752E+03 0.44858E-02 -0.64032E-03 5370 0.179E-01 0.298E-01 RMM: 4 -0.368263474788E+03 -0.12010E-02 -0.21160E-03 4924 0.115E-01 0.545E-01 RMM: 5 -0.368261691825E+03 0.17830E-02 -0.11500E-03 4608 0.909E-02 0.171E-01 RMM: 6 -0.368261623271E+03 0.68554E-04 -0.29229E-04 3913 0.434E-02 0.143E-01 RMM: 7 -0.368261595586E+03 0.27685E-04 -0.13845E-04 3858 0.354E-02 0.130E-01 RMM: 8 -0.368261494517E+03 0.10107E-03 -0.57745E-05 3388 0.221E-02 0.388E-02 RMM: 9 -0.368261519214E+03 -0.24697E-04 -0.26659E-05 2784 0.145E-02 0.674E-02 RMM: 10 -0.368261503920E+03 0.15294E-04 -0.20112E-05 2538 0.143E-02 749 T= 5976. E= 0.69184562E+03 F= 0.64240921E+03 E0= 0.67320014E+03 EK= 0.49436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367914537930E+03 0.34698E+00 -0.14134E-01 7620 0.227E+01 0.292E-01 RMM: 2 -0.367919457100E+03 -0.49192E-02 -0.51247E-02 5151 0.535E-01 0.606E-01 RMM: 3 -0.367917307576E+03 0.21495E-02 -0.51257E-03 5401 0.154E-01 0.245E-01 RMM: 4 -0.367918036491E+03 -0.72892E-03 -0.11936E-03 4626 0.863E-02 0.432E-01 RMM: 5 -0.367916878052E+03 0.11584E-02 -0.61100E-04 4593 0.664E-02 0.115E-01 RMM: 6 -0.367916841960E+03 0.36092E-04 -0.16814E-04 3876 0.328E-02 0.937E-02 RMM: 7 -0.367916814841E+03 0.27119E-04 -0.49495E-05 3286 0.222E-02 0.725E-02 RMM: 8 -0.367916782399E+03 0.32442E-04 -0.15629E-05 2538 0.124E-02 0.211E-02 RMM: 9 -0.367916785553E+03 -0.31538E-05 -0.69751E-06 2436 0.735E-03 750 T= 5976. E= 0.69259148E+03 F= 0.64315018E+03 E0= 0.67392666E+03 EK= 0.49441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367694698143E+03 0.22208E+00 -0.14269E-01 7728 0.229E+01 0.353E-01 RMM: 2 -0.367698456485E+03 -0.37583E-02 -0.47224E-02 5290 0.508E-01 0.581E-01 RMM: 3 -0.367696887645E+03 0.15688E-02 -0.43840E-03 5380 0.144E-01 0.341E-01 RMM: 4 -0.367697416907E+03 -0.52926E-03 -0.14254E-03 4638 0.944E-02 0.465E-01 RMM: 5 -0.367696021912E+03 0.13950E-02 -0.78948E-04 4602 0.732E-02 0.997E-02 RMM: 6 -0.367696063561E+03 -0.41650E-04 -0.17576E-04 3886 0.331E-02 0.133E-01 RMM: 7 -0.367695995147E+03 0.68415E-04 -0.63854E-05 3451 0.240E-02 0.892E-02 RMM: 8 -0.367695947832E+03 0.47315E-04 -0.26574E-05 2804 0.153E-02 0.297E-02 RMM: 9 -0.367695964779E+03 -0.16947E-04 -0.18376E-05 2518 0.119E-02 751 T= 6161. E= 0.69472733E+03 F= 0.64375816E+03 E0= 0.67452280E+03 EK= 0.50969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367594080355E+03 0.10187E+00 -0.14754E-01 7668 0.234E+01 0.333E-01 RMM: 2 -0.367598778091E+03 -0.46977E-02 -0.53236E-02 5243 0.546E-01 0.614E-01 RMM: 3 -0.367596845333E+03 0.19328E-02 -0.51563E-03 5426 0.153E-01 0.301E-01 RMM: 4 -0.367597541407E+03 -0.69607E-03 -0.13233E-03 4627 0.890E-02 0.460E-01 RMM: 5 -0.367596194205E+03 0.13472E-02 -0.69241E-04 4598 0.685E-02 0.107E-01 RMM: 6 -0.367596169899E+03 0.24306E-04 -0.12963E-04 3862 0.283E-02 0.940E-02 RMM: 7 -0.367596158814E+03 0.11085E-04 -0.49960E-05 3269 0.207E-02 752 T= 6484. E= 0.69786902E+03 F= 0.64423200E+03 E0= 0.67498872E+03 EK= 0.53637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367596703916E+03 -0.53402E-03 -0.15592E-01 7740 0.240E+01 0.362E-01 RMM: 2 -0.367601576683E+03 -0.48728E-02 -0.59437E-02 5215 0.585E-01 0.594E-01 RMM: 3 -0.367600060172E+03 0.15165E-02 -0.65234E-03 5369 0.177E-01 0.355E-01 RMM: 4 -0.367600731657E+03 -0.67148E-03 -0.12611E-03 4632 0.837E-02 0.496E-01 RMM: 5 -0.367599141038E+03 0.15906E-02 -0.71346E-04 4584 0.691E-02 0.867E-02 RMM: 6 -0.367599205893E+03 -0.64855E-04 -0.16668E-04 3878 0.317E-02 0.139E-01 RMM: 7 -0.367599108643E+03 0.97250E-04 -0.69612E-05 3520 0.241E-02 0.707E-02 RMM: 8 -0.367599085059E+03 0.23584E-04 -0.25826E-05 2779 0.147E-02 0.358E-02 RMM: 9 -0.367599102057E+03 -0.16998E-04 -0.16709E-05 2521 0.118E-02 753 T= 6843. E= 0.70119821E+03 F= 0.64458885E+03 E0= 0.67534126E+03 EK= 0.56609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367671237086E+03 -0.72152E-01 -0.17686E-01 7824 0.245E+01 0.324E-01 RMM: 2 -0.367679318696E+03 -0.80816E-02 -0.83948E-02 4943 0.692E-01 0.659E-01 RMM: 3 -0.367676852672E+03 0.24660E-02 -0.87827E-03 5483 0.191E-01 0.282E-01 RMM: 4 -0.367677591013E+03 -0.73834E-03 -0.13504E-03 4748 0.879E-02 0.454E-01 RMM: 5 -0.367676269859E+03 0.13212E-02 -0.61332E-04 4591 0.644E-02 0.117E-01 RMM: 6 -0.367676195080E+03 0.74779E-04 -0.12617E-04 3847 0.282E-02 0.598E-02 RMM: 7 -0.367676194129E+03 0.95050E-06 -0.33858E-05 2972 0.172E-02 754 T= 7101. E= 0.70360133E+03 F= 0.64485948E+03 E0= 0.67561068E+03 EK= 0.58742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367793203729E+03 -0.11701E+00 -0.18207E-01 7716 0.248E+01 0.352E-01 RMM: 2 -0.367800935964E+03 -0.77322E-02 -0.78789E-02 4994 0.675E-01 0.683E-01 RMM: 3 -0.367798341987E+03 0.25940E-02 -0.85582E-03 5422 0.196E-01 0.317E-01 RMM: 4 -0.367799264613E+03 -0.92263E-03 -0.17401E-03 4896 0.102E-01 0.503E-01 RMM: 5 -0.367797592268E+03 0.16723E-02 -0.82525E-04 4599 0.739E-02 0.887E-02 RMM: 6 -0.367797641751E+03 -0.49483E-04 -0.16513E-04 3875 0.320E-02 0.131E-01 RMM: 7 -0.367797567437E+03 0.74315E-04 -0.62954E-05 3433 0.226E-02 0.825E-02 RMM: 8 -0.367797529715E+03 0.37722E-04 -0.26991E-05 2810 0.154E-02 0.303E-02 RMM: 9 -0.367797545909E+03 -0.16194E-04 -0.16728E-05 2505 0.115E-02 755 T= 7141. E= 0.70415178E+03 F= 0.64507851E+03 E0= 0.67583133E+03 EK= 0.59073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367942138243E+03 -0.14461E+00 -0.17569E-01 7608 0.246E+01 0.313E-01 RMM: 2 -0.367950329560E+03 -0.81913E-02 -0.76978E-02 4950 0.660E-01 0.717E-01 RMM: 3 -0.367947157881E+03 0.31717E-02 -0.80393E-03 5447 0.186E-01 0.239E-01 RMM: 4 -0.367948017018E+03 -0.85914E-03 -0.14864E-03 4806 0.948E-02 0.452E-01 RMM: 5 -0.367946776632E+03 0.12404E-02 -0.67144E-04 4597 0.681E-02 0.140E-01 RMM: 6 -0.367946676644E+03 0.99988E-04 -0.15566E-04 3886 0.318E-02 0.730E-02 RMM: 7 -0.367946710810E+03 -0.34166E-04 -0.60726E-05 3436 0.225E-02 0.103E-01 RMM: 8 -0.367946645862E+03 0.64948E-04 -0.28400E-05 2917 0.169E-02 0.246E-02 RMM: 9 -0.367946649517E+03 -0.36546E-05 -0.10120E-05 2452 0.878E-03 756 T= 6941. E= 0.70269262E+03 F= 0.64526817E+03 E0= 0.67602368E+03 EK= 0.57424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368117418445E+03 -0.17077E+00 -0.16723E-01 7728 0.242E+01 0.311E-01 RMM: 2 -0.368124893667E+03 -0.74752E-02 -0.67737E-02 5068 0.615E-01 0.711E-01 RMM: 3 -0.368121641515E+03 0.32522E-02 -0.65242E-03 5405 0.169E-01 0.238E-01 RMM: 4 -0.368122436503E+03 -0.79499E-03 -0.16606E-03 4836 0.103E-01 0.437E-01 RMM: 5 -0.368121223401E+03 0.12131E-02 -0.75326E-04 4603 0.724E-02 0.114E-01 RMM: 6 -0.368121213363E+03 0.10037E-04 -0.15770E-04 3876 0.318E-02 757 T= 6591. E= 0.69995811E+03 F= 0.64543557E+03 E0= 0.67619285E+03 EK= 0.54523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368323635431E+03 -0.20241E+00 -0.16462E-01 7452 0.236E+01 0.446E-01 RMM: 2 -0.368351768517E+03 -0.28133E-01 -0.77194E-02 5129 0.684E-01 0.194E+00 RMM: 3 -0.368327843984E+03 0.23925E-01 -0.14298E-02 5342 0.294E-01 0.393E-01 RMM: 4 -0.368327361385E+03 0.48260E-03 -0.22601E-03 5066 0.105E-01 0.310E-01 RMM: 5 -0.368327355051E+03 0.63338E-05 -0.11783E-03 4608 0.908E-02 0.330E-01 RMM: 6 -0.368326718036E+03 0.63702E-03 -0.58063E-04 4570 0.638E-02 0.120E-01 RMM: 7 -0.368326786480E+03 -0.68445E-04 -0.19036E-04 3888 0.368E-02 0.160E-01 RMM: 8 -0.368326639999E+03 0.14648E-03 -0.12101E-04 3848 0.338E-02 0.653E-02 RMM: 9 -0.368326624625E+03 0.15374E-04 -0.24164E-05 2726 0.148E-02 758 T= 6227. E= 0.69709418E+03 F= 0.64557760E+03 E0= 0.67633770E+03 EK= 0.51517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368569089843E+03 -0.24245E+00 -0.15456E-01 7356 0.231E+01 0.403E-01 RMM: 2 -0.368598930484E+03 -0.29841E-01 -0.65222E-02 5206 0.616E-01 0.203E+00 RMM: 3 -0.368572460683E+03 0.26470E-01 -0.12510E-02 5334 0.276E-01 0.378E-01 RMM: 4 -0.368571948437E+03 0.51225E-03 -0.23104E-03 5055 0.109E-01 0.291E-01 RMM: 5 -0.368571962995E+03 -0.14558E-04 -0.71809E-04 4607 0.722E-02 0.303E-01 RMM: 6 -0.368571369662E+03 0.59333E-03 -0.27314E-04 3900 0.444E-02 0.678E-02 RMM: 7 -0.368571405672E+03 -0.36010E-04 -0.10205E-04 3748 0.265E-02 0.103E-01 RMM: 8 -0.368571348371E+03 0.57301E-04 -0.37158E-05 3087 0.196E-02 0.421E-02 RMM: 9 -0.368571339012E+03 0.93588E-05 -0.84644E-06 2470 0.873E-03 759 T= 5971. E= 0.69508502E+03 F= 0.64568487E+03 E0= 0.67644524E+03 EK= 0.49400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368856208068E+03 -0.28486E+00 -0.15480E-01 7572 0.228E+01 0.380E-01 RMM: 2 -0.368876757055E+03 -0.20549E-01 -0.77740E-02 4994 0.667E-01 0.159E+00 RMM: 3 -0.368860836131E+03 0.15921E-01 -0.10979E-02 5350 0.246E-01 0.302E-01 RMM: 4 -0.368861096353E+03 -0.26022E-03 -0.21697E-03 5071 0.108E-01 0.378E-01 RMM: 5 -0.368860480589E+03 0.61576E-03 -0.84180E-04 4608 0.775E-02 0.246E-01 RMM: 6 -0.368860122623E+03 0.35797E-03 -0.27192E-04 3890 0.428E-02 0.898E-02 RMM: 7 -0.368860170924E+03 -0.48301E-04 -0.14910E-04 3880 0.353E-02 0.130E-01 RMM: 8 -0.368860070085E+03 0.10084E-03 -0.58932E-05 3384 0.229E-02 0.350E-02 RMM: 9 -0.368860075767E+03 -0.56822E-05 -0.14360E-05 2511 0.108E-02 760 T= 5893. E= 0.69449886E+03 F= 0.64574877E+03 E0= 0.67650884E+03 EK= 0.48750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369184386914E+03 -0.32432E+00 -0.15433E-01 7800 0.228E+01 0.327E-01 RMM: 2 -0.369196581915E+03 -0.12195E-01 -0.72351E-02 5042 0.638E-01 0.109E+00 RMM: 3 -0.369188816318E+03 0.77656E-02 -0.82943E-03 5387 0.201E-01 0.235E-01 RMM: 4 -0.369189529026E+03 -0.71271E-03 -0.16994E-03 4822 0.984E-02 0.419E-01 RMM: 5 -0.369188585360E+03 0.94367E-03 -0.63402E-04 4591 0.664E-02 0.189E-01 RMM: 6 -0.369188374440E+03 0.21092E-03 -0.18106E-04 3883 0.346E-02 0.648E-02 RMM: 7 -0.369188447944E+03 -0.73504E-04 -0.84801E-05 3637 0.248E-02 0.125E-01 RMM: 8 -0.369188353248E+03 0.94696E-04 -0.42545E-05 3155 0.204E-02 0.297E-02 RMM: 9 -0.369188355394E+03 -0.21460E-05 -0.11391E-05 2478 0.950E-03 761 T= 6010. E= 0.69548860E+03 F= 0.64576840E+03 E0= 0.67652728E+03 EK= 0.49720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369538509562E+03 -0.35016E+00 -0.15664E-01 7872 0.232E+01 0.341E-01 RMM: 2 -0.369550120205E+03 -0.11611E-01 -0.76206E-02 5065 0.648E-01 0.104E+00 RMM: 3 -0.369543217724E+03 0.69025E-02 -0.82294E-03 5366 0.200E-01 0.264E-01 RMM: 4 -0.369543989381E+03 -0.77166E-03 -0.19553E-03 4882 0.106E-01 0.445E-01 RMM: 5 -0.369542826449E+03 0.11629E-02 -0.71350E-04 4602 0.695E-02 0.161E-01 RMM: 6 -0.369542687103E+03 0.13935E-03 -0.15989E-04 3875 0.321E-02 0.765E-02 RMM: 7 -0.369542737804E+03 -0.50701E-04 -0.81167E-05 3611 0.244E-02 0.118E-01 RMM: 8 -0.369542651569E+03 0.86235E-04 -0.44648E-05 3202 0.204E-02 0.321E-02 RMM: 9 -0.369542653171E+03 -0.16024E-05 -0.12538E-05 2483 0.988E-03 762 T= 6294. E= 0.69782003E+03 F= 0.64575239E+03 E0= 0.67650962E+03 EK= 0.52068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369899643135E+03 -0.35699E+00 -0.16485E-01 7860 0.237E+01 0.338E-01 RMM: 2 -0.369911285079E+03 -0.11642E-01 -0.73433E-02 5215 0.639E-01 0.106E+00 RMM: 3 -0.369904076557E+03 0.72085E-02 -0.75870E-03 5362 0.193E-01 0.260E-01 RMM: 4 -0.369904912925E+03 -0.83637E-03 -0.18226E-03 4778 0.103E-01 0.445E-01 RMM: 5 -0.369903738655E+03 0.11743E-02 -0.61629E-04 4597 0.642E-02 0.169E-01 RMM: 6 -0.369903566461E+03 0.17219E-03 -0.14062E-04 3877 0.299E-02 0.598E-02 RMM: 7 -0.369903624811E+03 -0.58350E-04 -0.80801E-05 3636 0.237E-02 0.114E-01 RMM: 8 -0.369903544578E+03 0.80232E-04 -0.42662E-05 3157 0.200E-02 0.296E-02 RMM: 9 -0.369903548496E+03 -0.39171E-05 -0.14043E-05 2491 0.105E-02 763 T= 6663. E= 0.70083850E+03 F= 0.64571748E+03 E0= 0.67647277E+03 EK= 0.55121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370248773377E+03 -0.34523E+00 -0.17674E-01 7884 0.242E+01 0.340E-01 RMM: 2 -0.370261431258E+03 -0.12658E-01 -0.85033E-02 5209 0.686E-01 0.107E+00 RMM: 3 -0.370254228654E+03 0.72026E-02 -0.87831E-03 5371 0.205E-01 0.263E-01 RMM: 4 -0.370254958694E+03 -0.73004E-03 -0.19268E-03 4844 0.106E-01 0.430E-01 RMM: 5 -0.370253861594E+03 0.10971E-02 -0.61076E-04 4568 0.627E-02 0.162E-01 RMM: 6 -0.370253704560E+03 0.15703E-03 -0.13497E-04 3869 0.296E-02 0.639E-02 RMM: 7 -0.370253754664E+03 -0.50105E-04 -0.77138E-05 3588 0.232E-02 0.112E-01 RMM: 8 -0.370253680114E+03 0.74550E-04 -0.42239E-05 3143 0.200E-02 0.340E-02 RMM: 9 -0.370253680976E+03 -0.86143E-06 -0.13726E-05 2492 0.103E-02 764 T= 6989. E= 0.70350265E+03 F= 0.64568140E+03 E0= 0.67643476E+03 EK= 0.57821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370579698959E+03 -0.32602E+00 -0.18314E-01 8112 0.245E+01 0.328E-01 RMM: 2 -0.370590906590E+03 -0.11208E-01 -0.86934E-02 5226 0.687E-01 0.917E-01 RMM: 3 -0.370585399472E+03 0.55071E-02 -0.82947E-03 5385 0.197E-01 0.256E-01 RMM: 4 -0.370586193789E+03 -0.79432E-03 -0.16780E-03 4787 0.993E-02 0.438E-01 RMM: 5 -0.370585044990E+03 0.11488E-02 -0.57612E-04 4557 0.616E-02 0.160E-01 RMM: 6 -0.370584897793E+03 0.14720E-03 -0.13362E-04 3877 0.293E-02 0.639E-02 RMM: 7 -0.370584952349E+03 -0.54556E-04 -0.76614E-05 3598 0.231E-02 0.114E-01 RMM: 8 -0.370584873467E+03 0.78882E-04 -0.41970E-05 3133 0.199E-02 0.323E-02 RMM: 9 -0.370584877051E+03 -0.35837E-05 -0.16143E-05 2496 0.113E-02 765 T= 7139. E= 0.70471570E+03 F= 0.64565547E+03 E0= 0.67640714E+03 EK= 0.59060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370898858110E+03 -0.31398E+00 -0.18167E-01 8100 0.244E+01 0.307E-01 RMM: 2 -0.370908616538E+03 -0.97584E-02 -0.83964E-02 5209 0.665E-01 0.794E-01 RMM: 3 -0.370904387719E+03 0.42288E-02 -0.72950E-03 5443 0.187E-01 0.248E-01 RMM: 4 -0.370905044372E+03 -0.65665E-03 -0.15068E-03 4775 0.945E-02 0.411E-01 RMM: 5 -0.370904003244E+03 0.10411E-02 -0.58711E-04 4553 0.625E-02 0.126E-01 RMM: 6 -0.370903936463E+03 0.66781E-04 -0.11909E-04 3860 0.278E-02 0.816E-02 RMM: 7 -0.370903963996E+03 -0.27534E-04 -0.70983E-05 3538 0.227E-02 0.106E-01 RMM: 8 -0.370903896362E+03 0.67634E-04 -0.42838E-05 3165 0.201E-02 0.304E-02 RMM: 9 -0.370903901464E+03 -0.51013E-05 -0.12205E-05 2477 0.966E-03 766 T= 7045. E= 0.70392094E+03 F= 0.64563772E+03 E0= 0.67638833E+03 EK= 0.58283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371226036001E+03 -0.32214E+00 -0.17859E-01 8328 0.239E+01 0.297E-01 RMM: 2 -0.371236571726E+03 -0.10536E-01 -0.86146E-02 5106 0.664E-01 0.810E-01 RMM: 3 -0.371231775427E+03 0.47963E-02 -0.74332E-03 5462 0.191E-01 0.247E-01 RMM: 4 -0.371232307390E+03 -0.53196E-03 -0.13824E-03 4830 0.908E-02 0.386E-01 RMM: 5 -0.371231447228E+03 0.86016E-03 -0.53565E-04 4569 0.609E-02 0.162E-01 RMM: 6 -0.371231314102E+03 0.13313E-03 -0.16883E-04 3884 0.333E-02 0.809E-02 RMM: 7 -0.371231370817E+03 -0.56716E-04 -0.86616E-05 3654 0.254E-02 0.123E-01 RMM: 8 -0.371231277778E+03 0.93039E-04 -0.43396E-05 3207 0.202E-02 0.308E-02 RMM: 9 -0.371231281445E+03 -0.36670E-05 -0.13871E-05 2485 0.104E-02 767 T= 6753. E= 0.70147604E+03 F= 0.64561233E+03 E0= 0.67636285E+03 EK= 0.55864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371589448278E+03 -0.35817E+00 -0.17645E-01 8448 0.233E+01 0.290E-01 RMM: 2 -0.371602170117E+03 -0.12722E-01 -0.86823E-02 5029 0.662E-01 0.978E-01 RMM: 3 -0.371595277612E+03 0.68925E-02 -0.77667E-03 5416 0.198E-01 0.208E-01 RMM: 4 -0.371595733615E+03 -0.45600E-03 -0.14936E-03 4949 0.951E-02 0.355E-01 RMM: 5 -0.371595002155E+03 0.73146E-03 -0.57965E-04 4593 0.639E-02 0.147E-01 RMM: 6 -0.371594921458E+03 0.80697E-04 -0.17008E-04 3884 0.334E-02 0.101E-01 RMM: 7 -0.371594933717E+03 -0.12259E-04 -0.87993E-05 3707 0.268E-02 768 T= 6388. E= 0.69839811E+03 F= 0.64555446E+03 E0= 0.67630691E+03 EK= 0.52844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372009461175E+03 -0.41454E+00 -0.17100E-01 8316 0.227E+01 0.307E-01 RMM: 2 -0.372020600508E+03 -0.11139E-01 -0.85903E-02 5120 0.653E-01 0.867E-01 RMM: 3 -0.372015163551E+03 0.54370E-02 -0.74659E-03 5449 0.193E-01 0.265E-01 RMM: 4 -0.372015546532E+03 -0.38298E-03 -0.14482E-03 4839 0.935E-02 0.370E-01 RMM: 5 -0.372014712185E+03 0.83435E-03 -0.64460E-04 4602 0.674E-02 0.152E-01 RMM: 6 -0.372014678453E+03 0.33732E-04 -0.22230E-04 3881 0.378E-02 0.137E-01 RMM: 7 -0.372014649150E+03 0.29303E-04 -0.11315E-04 3859 0.306E-02 0.117E-01 RMM: 8 -0.372014567165E+03 0.81985E-04 -0.46605E-05 3278 0.200E-02 0.349E-02 RMM: 9 -0.372014581475E+03 -0.14310E-04 -0.17927E-05 2529 0.118E-02 769 T= 6083. E= 0.69576804E+03 F= 0.64544479E+03 E0= 0.67620178E+03 EK= 0.50323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372493506764E+03 -0.47894E+00 -0.16235E-01 8280 0.224E+01 0.281E-01 RMM: 2 -0.372507927894E+03 -0.14421E-01 -0.83533E-02 5062 0.651E-01 0.114E+00 RMM: 3 -0.372499153447E+03 0.87744E-02 -0.81534E-03 5495 0.203E-01 0.231E-01 RMM: 4 -0.372499274495E+03 -0.12105E-03 -0.12645E-03 4696 0.849E-02 0.290E-01 RMM: 5 -0.372498855801E+03 0.41869E-03 -0.46858E-04 4538 0.578E-02 0.175E-01 RMM: 6 -0.372498693435E+03 0.16237E-03 -0.20664E-04 3886 0.378E-02 0.823E-02 RMM: 7 -0.372498766690E+03 -0.73255E-04 -0.95578E-05 3777 0.268E-02 0.135E-01 RMM: 8 -0.372498649801E+03 0.11689E-03 -0.50340E-05 3305 0.212E-02 0.243E-02 RMM: 9 -0.372498650379E+03 -0.57790E-06 -0.88104E-06 2464 0.818E-03 770 T= 5929. E= 0.69432269E+03 F= 0.64527254E+03 E0= 0.67603750E+03 EK= 0.49050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373039337361E+03 -0.54069E+00 -0.15670E-01 8436 0.223E+01 0.293E-01 RMM: 2 -0.373049453465E+03 -0.10116E-01 -0.80097E-02 5273 0.616E-01 0.823E-01 RMM: 3 -0.373044528315E+03 0.49252E-02 -0.63442E-03 5459 0.176E-01 0.249E-01 RMM: 4 -0.373044967140E+03 -0.43883E-03 -0.13654E-03 4701 0.898E-02 0.377E-01 RMM: 5 -0.373044114244E+03 0.85290E-03 -0.57660E-04 4589 0.633E-02 0.147E-01 RMM: 6 -0.373044058073E+03 0.56171E-04 -0.18646E-04 3880 0.348E-02 0.118E-01 RMM: 7 -0.373044061294E+03 -0.32214E-05 -0.10639E-04 3852 0.286E-02 771 T= 5964. E= 0.69437323E+03 F= 0.64503656E+03 E0= 0.67581267E+03 EK= 0.49337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373635503317E+03 -0.59145E+00 -0.15762E-01 8400 0.225E+01 0.322E-01 RMM: 2 -0.373647379092E+03 -0.11876E-01 -0.81644E-02 5259 0.641E-01 0.989E-01 RMM: 3 -0.373640705740E+03 0.66734E-02 -0.73758E-03 5591 0.184E-01 0.234E-01 RMM: 4 -0.373641169549E+03 -0.46381E-03 -0.14416E-03 4709 0.919E-02 0.385E-01 RMM: 5 -0.373640323609E+03 0.84594E-03 -0.59446E-04 4594 0.637E-02 0.166E-01 RMM: 6 -0.373640231281E+03 0.92329E-04 -0.21668E-04 3887 0.376E-02 0.119E-01 RMM: 7 -0.373640296695E+03 -0.65415E-04 -0.14008E-04 3881 0.320E-02 0.154E-01 RMM: 8 -0.373640150334E+03 0.14636E-03 -0.77585E-05 3589 0.253E-02 0.411E-02 RMM: 9 -0.373640150998E+03 -0.66460E-06 -0.16277E-05 2533 0.112E-02 772 T= 6177. E= 0.69584190E+03 F= 0.64474298E+03 E0= 0.67553420E+03 EK= 0.51099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374270727245E+03 -0.63058E+00 -0.16530E-01 8268 0.230E+01 0.278E-01 RMM: 2 -0.374283451887E+03 -0.12725E-01 -0.85418E-02 5209 0.648E-01 0.985E-01 RMM: 3 -0.374276582568E+03 0.68693E-02 -0.78959E-03 5421 0.195E-01 0.204E-01 RMM: 4 -0.374276994507E+03 -0.41194E-03 -0.12037E-03 4668 0.808E-02 0.338E-01 RMM: 5 -0.374276301675E+03 0.69283E-03 -0.39673E-04 4353 0.518E-02 0.129E-01 RMM: 6 -0.374276223829E+03 0.77846E-04 -0.13979E-04 3875 0.312E-02 0.751E-02 RMM: 7 -0.374276279167E+03 -0.55338E-04 -0.71768E-05 3557 0.229E-02 0.120E-01 RMM: 8 -0.374276186694E+03 0.92473E-04 -0.39222E-05 3082 0.193E-02 0.280E-02 RMM: 9 -0.374276184662E+03 0.20327E-05 -0.90803E-06 2456 0.814E-03 773 T= 6510. E= 0.69825659E+03 F= 0.64439936E+03 E0= 0.67521034E+03 EK= 0.53857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374945009274E+03 -0.66882E+00 -0.17135E-01 8184 0.235E+01 0.343E-01 RMM: 2 -0.374963390110E+03 -0.18381E-01 -0.87155E-02 5267 0.689E-01 0.141E+00 RMM: 3 -0.374950581727E+03 0.12808E-01 -0.93652E-03 5418 0.218E-01 0.258E-01 RMM: 4 -0.374950829832E+03 -0.24810E-03 -0.17044E-03 4781 0.971E-02 0.345E-01 RMM: 5 -0.374950258451E+03 0.57138E-03 -0.47050E-04 4466 0.547E-02 0.205E-01 RMM: 6 -0.374950008500E+03 0.24995E-03 -0.18982E-04 3880 0.363E-02 0.773E-02 RMM: 7 -0.374950093425E+03 -0.84925E-04 -0.13344E-04 3882 0.303E-02 0.141E-01 RMM: 8 -0.374949968249E+03 0.12518E-03 -0.64067E-05 3451 0.234E-02 0.344E-02 RMM: 9 -0.374949966865E+03 0.13844E-05 -0.13818E-05 2495 0.104E-02 774 T= 6858. E= 0.70074397E+03 F= 0.64400715E+03 E0= 0.67484298E+03 EK= 0.56737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375667734560E+03 -0.71777E+00 -0.17060E-01 7944 0.240E+01 0.323E-01 RMM: 2 -0.375684078066E+03 -0.16344E-01 -0.81235E-02 5283 0.665E-01 0.128E+00 RMM: 3 -0.375673147210E+03 0.10931E-01 -0.87696E-03 5388 0.212E-01 0.259E-01 RMM: 4 -0.375673385761E+03 -0.23855E-03 -0.15118E-03 4686 0.899E-02 0.327E-01 RMM: 5 -0.375672750214E+03 0.63555E-03 -0.43218E-04 4471 0.528E-02 0.151E-01 RMM: 6 -0.375672638850E+03 0.11136E-03 -0.16043E-04 3880 0.334E-02 0.846E-02 RMM: 7 -0.375672713008E+03 -0.74158E-04 -0.99937E-05 3798 0.262E-02 0.135E-01 RMM: 8 -0.375672601094E+03 0.11191E-03 -0.54758E-05 3347 0.220E-02 0.397E-02 RMM: 9 -0.375672595927E+03 0.51671E-05 -0.13296E-05 2486 0.102E-02 775 T= 7090. E= 0.70221349E+03 F= 0.64355704E+03 E0= 0.67442403E+03 EK= 0.58656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376457211899E+03 -0.78461E+00 -0.16750E-01 7896 0.241E+01 0.315E-01 RMM: 2 -0.376472837488E+03 -0.15626E-01 -0.74664E-02 5277 0.649E-01 0.130E+00 RMM: 3 -0.376461923144E+03 0.10914E-01 -0.77734E-03 5378 0.200E-01 0.223E-01 RMM: 4 -0.376462286968E+03 -0.36382E-03 -0.14313E-03 4698 0.893E-02 0.341E-01 RMM: 5 -0.376461697522E+03 0.58945E-03 -0.41605E-04 4435 0.524E-02 0.179E-01 RMM: 6 -0.376461508110E+03 0.18941E-03 -0.15793E-04 3880 0.331E-02 0.677E-02 RMM: 7 -0.376461567447E+03 -0.59337E-04 -0.88136E-05 3731 0.254E-02 0.119E-01 RMM: 8 -0.376461479898E+03 0.87549E-04 -0.42123E-05 3184 0.198E-02 0.252E-02 RMM: 9 -0.376461484309E+03 -0.44105E-05 -0.11043E-05 2468 0.911E-03 776 T= 7109. E= 0.70184209E+03 F= 0.64303528E+03 E0= 0.67393995E+03 EK= 0.58807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377316496907E+03 -0.85502E+00 -0.16919E-01 8028 0.239E+01 0.290E-01 RMM: 2 -0.377328100023E+03 -0.11603E-01 -0.71683E-02 5176 0.625E-01 0.102E+00 RMM: 3 -0.377321287264E+03 0.68128E-02 -0.72681E-03 5353 0.193E-01 0.250E-01 RMM: 4 -0.377321498537E+03 -0.21127E-03 -0.13243E-03 4670 0.860E-02 0.316E-01 RMM: 5 -0.377320980601E+03 0.51794E-03 -0.45035E-04 4493 0.553E-02 0.167E-01 RMM: 6 -0.377320823758E+03 0.15684E-03 -0.14134E-04 3869 0.311E-02 0.649E-02 RMM: 7 -0.377320892306E+03 -0.68549E-04 -0.85196E-05 3635 0.248E-02 0.122E-01 RMM: 8 -0.377320801805E+03 0.90501E-04 -0.42522E-05 3170 0.203E-02 0.316E-02 RMM: 9 -0.377320801000E+03 0.80500E-06 -0.10195E-05 2470 0.878E-03 777 T= 6907. E= 0.69957854E+03 F= 0.64244195E+03 E0= 0.67339075E+03 EK= 0.57137E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378228835550E+03 -0.90803E+00 -0.17376E-01 8616 0.234E+01 0.293E-01 RMM: 2 -0.378240272642E+03 -0.11437E-01 -0.71517E-02 5224 0.609E-01 0.103E+00 RMM: 3 -0.378233264747E+03 0.70079E-02 -0.64963E-03 5375 0.180E-01 0.201E-01 RMM: 4 -0.378233792544E+03 -0.52780E-03 -0.13283E-03 4669 0.867E-02 0.362E-01 RMM: 5 -0.378233059914E+03 0.73263E-03 -0.45247E-04 4429 0.548E-02 0.153E-01 RMM: 6 -0.378232933860E+03 0.12605E-03 -0.13458E-04 3880 0.305E-02 0.711E-02 RMM: 7 -0.378232982917E+03 -0.49058E-04 -0.74102E-05 3577 0.237E-02 0.112E-01 RMM: 8 -0.378232906521E+03 0.76396E-04 -0.37359E-05 3081 0.191E-02 0.276E-02 RMM: 9 -0.378232909465E+03 -0.29439E-05 -0.10779E-05 2462 0.904E-03 778 T= 6573. E= 0.69617416E+03 F= 0.64179808E+03 E0= 0.67279619E+03 EK= 0.54376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379155952348E+03 -0.92305E+00 -0.17647E-01 8784 0.229E+01 0.288E-01 RMM: 2 -0.379167225914E+03 -0.11274E-01 -0.76751E-02 5248 0.598E-01 0.933E-01 RMM: 3 -0.379160940305E+03 0.62856E-02 -0.66886E-03 5369 0.183E-01 0.246E-01 RMM: 4 -0.379161352353E+03 -0.41205E-03 -0.14503E-03 4670 0.908E-02 0.356E-01 RMM: 5 -0.379160658111E+03 0.69424E-03 -0.49227E-04 4483 0.575E-02 0.163E-01 RMM: 6 -0.379160502744E+03 0.15537E-03 -0.12992E-04 3878 0.297E-02 0.606E-02 RMM: 7 -0.379160567335E+03 -0.64591E-04 -0.83350E-05 3619 0.243E-02 0.117E-01 RMM: 8 -0.379160486880E+03 0.80455E-04 -0.42461E-05 3171 0.202E-02 0.343E-02 RMM: 9 -0.379160485682E+03 0.11981E-05 -0.11125E-05 2477 0.927E-03 779 T= 6234. E= 0.69271379E+03 F= 0.64114242E+03 E0= 0.67219375E+03 EK= 0.51571E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380056619765E+03 -0.89613E+00 -0.18027E-01 8988 0.225E+01 0.299E-01 RMM: 2 -0.380068180009E+03 -0.11560E-01 -0.85804E-02 5304 0.618E-01 0.929E-01 RMM: 3 -0.380062208545E+03 0.59715E-02 -0.71283E-03 5386 0.183E-01 0.227E-01 RMM: 4 -0.380062854208E+03 -0.64566E-03 -0.13790E-03 4637 0.866E-02 0.397E-01 RMM: 5 -0.380061926253E+03 0.92796E-03 -0.48594E-04 4463 0.561E-02 0.146E-01 RMM: 6 -0.380061813199E+03 0.11305E-03 -0.13178E-04 3878 0.296E-02 0.706E-02 RMM: 7 -0.380061868369E+03 -0.55170E-04 -0.76628E-05 3604 0.233E-02 0.115E-01 RMM: 8 -0.380061787286E+03 0.81083E-04 -0.41934E-05 3140 0.197E-02 0.296E-02 RMM: 9 -0.380061790552E+03 -0.32659E-05 -0.14037E-05 2481 0.105E-02 780 T= 5995. E= 0.69010885E+03 F= 0.64051568E+03 E0= 0.67162199E+03 EK= 0.49593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380895711220E+03 -0.83392E+00 -0.18397E-01 9132 0.223E+01 0.298E-01 RMM: 2 -0.380908522937E+03 -0.12812E-01 -0.91226E-02 5434 0.611E-01 0.960E-01 RMM: 3 -0.380901842775E+03 0.66802E-02 -0.69339E-03 5376 0.183E-01 0.264E-01 RMM: 4 -0.380902330367E+03 -0.48759E-03 -0.15868E-03 4675 0.942E-02 0.380E-01 RMM: 5 -0.380901498085E+03 0.83228E-03 -0.51957E-04 4420 0.581E-02 0.153E-01 RMM: 6 -0.380901360781E+03 0.13730E-03 -0.11041E-04 3852 0.270E-02 0.597E-02 RMM: 7 -0.380901418243E+03 -0.57462E-04 -0.84672E-05 3654 0.239E-02 0.112E-01 RMM: 8 -0.380901345108E+03 0.73135E-04 -0.44917E-05 3201 0.202E-02 0.341E-02 RMM: 9 -0.380901346549E+03 -0.14405E-05 -0.12598E-05 2486 0.980E-03 781 T= 5915. E= 0.68888389E+03 F= 0.63995019E+03 E0= 0.67111190E+03 EK= 0.48934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381648946581E+03 -0.74760E+00 -0.19332E-01 9156 0.224E+01 0.292E-01 RMM: 2 -0.381661112021E+03 -0.12165E-01 -0.10205E-01 5451 0.628E-01 0.824E-01 RMM: 3 -0.381655843674E+03 0.52683E-02 -0.70496E-03 5411 0.177E-01 0.230E-01 RMM: 4 -0.381656459786E+03 -0.61611E-03 -0.12974E-03 4634 0.832E-02 0.395E-01 RMM: 5 -0.381655528221E+03 0.93156E-03 -0.46295E-04 4273 0.540E-02 0.134E-01 RMM: 6 -0.381655436485E+03 0.91736E-04 -0.12109E-04 3859 0.284E-02 0.695E-02 RMM: 7 -0.381655492126E+03 -0.55641E-04 -0.71967E-05 3554 0.221E-02 0.115E-01 RMM: 8 -0.381655410864E+03 0.81262E-04 -0.42546E-05 3123 0.194E-02 0.298E-02 RMM: 9 -0.381655415922E+03 -0.50577E-05 -0.15093E-05 2493 0.108E-02 782 T= 6009. E= 0.68918021E+03 F= 0.63946552E+03 E0= 0.67068135E+03 EK= 0.49715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382301798408E+03 -0.64639E+00 -0.21324E-01 9000 0.227E+01 0.279E-01 RMM: 2 -0.382315307753E+03 -0.13509E-01 -0.11201E-01 5537 0.637E-01 0.826E-01 RMM: 3 -0.382309630048E+03 0.56777E-02 -0.66337E-03 5412 0.172E-01 0.235E-01 RMM: 4 -0.382310056548E+03 -0.42650E-03 -0.13987E-03 4624 0.872E-02 0.356E-01 RMM: 5 -0.382309302035E+03 0.75451E-03 -0.48220E-04 4238 0.550E-02 0.123E-01 RMM: 6 -0.382309224557E+03 0.77478E-04 -0.88485E-05 3713 0.245E-02 0.642E-02 RMM: 7 -0.382309267636E+03 -0.43080E-04 -0.78445E-05 3643 0.226E-02 0.105E-01 RMM: 8 -0.382309204496E+03 0.63141E-04 -0.39279E-05 3099 0.190E-02 0.315E-02 RMM: 9 -0.382309206877E+03 -0.23813E-05 -0.12177E-05 2476 0.960E-03 783 T= 6252. E= 0.69079139E+03 F= 0.63907267E+03 E0= 0.67034032E+03 EK= 0.51719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382848104429E+03 -0.53890E+00 -0.24559E-01 8688 0.231E+01 0.275E-01 RMM: 2 -0.382864231434E+03 -0.16127E-01 -0.13006E-01 5582 0.675E-01 0.894E-01 RMM: 3 -0.382857180557E+03 0.70509E-02 -0.71761E-03 5408 0.179E-01 0.198E-01 RMM: 4 -0.382857661830E+03 -0.48127E-03 -0.12940E-03 4654 0.819E-02 0.347E-01 RMM: 5 -0.382856963377E+03 0.69845E-03 -0.38894E-04 4019 0.488E-02 0.133E-01 RMM: 6 -0.382856878953E+03 0.84424E-04 -0.11860E-04 3833 0.288E-02 0.734E-02 RMM: 7 -0.382856938970E+03 -0.60017E-04 -0.81311E-05 3641 0.233E-02 0.120E-01 RMM: 8 -0.382856852750E+03 0.86220E-04 -0.44107E-05 3167 0.199E-02 0.310E-02 RMM: 9 -0.382856853251E+03 -0.50158E-06 -0.12738E-05 2470 0.993E-03 784 T= 6573. E= 0.69315339E+03 F= 0.63877528E+03 E0= 0.67009065E+03 EK= 0.54378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383288828123E+03 -0.43198E+00 -0.28280E-01 8484 0.235E+01 0.275E-01 RMM: 2 -0.383308604810E+03 -0.19777E-01 -0.14981E-01 5578 0.725E-01 0.103E+00 RMM: 3 -0.383299789165E+03 0.88156E-02 -0.80623E-03 5378 0.193E-01 0.225E-01 RMM: 4 -0.383300007706E+03 -0.21854E-03 -0.14303E-03 4660 0.857E-02 0.303E-01 RMM: 5 -0.383299521927E+03 0.48578E-03 -0.40058E-04 4146 0.499E-02 0.144E-01 RMM: 6 -0.383299413075E+03 0.10885E-03 -0.11664E-04 3852 0.290E-02 0.691E-02 RMM: 7 -0.383299489774E+03 -0.76699E-04 -0.93152E-05 3761 0.246E-02 0.127E-01 RMM: 8 -0.383299394618E+03 0.95156E-04 -0.50475E-05 3257 0.214E-02 0.390E-02 RMM: 9 -0.383299389736E+03 0.48815E-05 -0.12833E-05 2481 0.101E-02 785 T= 6868. E= 0.69538522E+03 F= 0.63857225E+03 E0= 0.66992923E+03 EK= 0.56813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383634487626E+03 -0.33509E+00 -0.32698E-01 8544 0.238E+01 0.279E-01 RMM: 2 -0.383657380878E+03 -0.22893E-01 -0.17093E-01 5668 0.773E-01 0.108E+00 RMM: 3 -0.383647193126E+03 0.10188E-01 -0.89361E-03 5372 0.205E-01 0.202E-01 RMM: 4 -0.383647512110E+03 -0.31898E-03 -0.13624E-03 4689 0.820E-02 0.312E-01 RMM: 5 -0.383646986049E+03 0.52606E-03 -0.35227E-04 4050 0.466E-02 0.148E-01 RMM: 6 -0.383646879823E+03 0.10623E-03 -0.13919E-04 3880 0.315E-02 0.784E-02 RMM: 7 -0.383646961075E+03 -0.81253E-04 -0.10244E-04 3814 0.261E-02 0.135E-01 RMM: 8 -0.383646852552E+03 0.10852E-03 -0.57249E-05 3361 0.224E-02 0.344E-02 RMM: 9 -0.383646851598E+03 0.95402E-06 -0.13151E-05 2482 0.103E-02 786 T= 7021. E= 0.69654144E+03 F= 0.63845540E+03 E0= 0.66984508E+03 EK= 0.58086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383898007457E+03 -0.25115E+00 -0.36371E-01 8580 0.238E+01 0.293E-01 RMM: 2 -0.383925249540E+03 -0.27242E-01 -0.18676E-01 5678 0.809E-01 0.129E+00 RMM: 3 -0.383912105959E+03 0.13144E-01 -0.98471E-03 5355 0.219E-01 0.238E-01 RMM: 4 -0.383912180891E+03 -0.74932E-04 -0.15681E-03 4722 0.869E-02 0.277E-01 RMM: 5 -0.383911860799E+03 0.32009E-03 -0.39313E-04 4303 0.502E-02 0.176E-01 RMM: 6 -0.383911682386E+03 0.17841E-03 -0.15018E-04 3879 0.325E-02 0.686E-02 RMM: 7 -0.383911765220E+03 -0.82834E-04 -0.11062E-04 3866 0.272E-02 0.129E-01 RMM: 8 -0.383911668440E+03 0.96781E-04 -0.51825E-05 3288 0.215E-02 0.413E-02 RMM: 9 -0.383911663344E+03 0.50957E-05 -0.13328E-05 2494 0.103E-02 787 T= 6970. E= 0.69607664E+03 F= 0.63841525E+03 E0= 0.66982695E+03 EK= 0.57661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384084811667E+03 -0.17314E+00 -0.39472E-01 8592 0.235E+01 0.279E-01 RMM: 2 -0.384108984373E+03 -0.24173E-01 -0.19316E-01 5750 0.818E-01 0.101E+00 RMM: 3 -0.384099631834E+03 0.93525E-02 -0.96921E-03 5355 0.217E-01 0.211E-01 RMM: 4 -0.384099909952E+03 -0.27812E-03 -0.13623E-03 4724 0.800E-02 0.307E-01 RMM: 5 -0.384099394329E+03 0.51562E-03 -0.35755E-04 4141 0.474E-02 0.146E-01 RMM: 6 -0.384099303643E+03 0.90686E-04 -0.14860E-04 3881 0.324E-02 0.861E-02 RMM: 7 -0.384099376475E+03 -0.72832E-04 -0.99614E-05 3820 0.260E-02 0.134E-01 RMM: 8 -0.384099271561E+03 0.10491E-03 -0.55903E-05 3348 0.220E-02 0.380E-02 RMM: 9 -0.384099271171E+03 0.38967E-06 -0.16194E-05 2501 0.115E-02 788 T= 6737. E= 0.69418039E+03 F= 0.63844929E+03 E0= 0.66987135E+03 EK= 0.55731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384191329095E+03 -0.92058E-01 -0.42083E-01 8616 0.230E+01 0.289E-01 RMM: 2 -0.384218987298E+03 -0.27658E-01 -0.20069E-01 5636 0.842E-01 0.122E+00 RMM: 3 -0.384206798529E+03 0.12189E-01 -0.10945E-02 5369 0.226E-01 0.215E-01 RMM: 4 -0.384207001579E+03 -0.20305E-03 -0.15578E-03 4765 0.876E-02 0.299E-01 RMM: 5 -0.384206569386E+03 0.43219E-03 -0.39870E-04 4352 0.502E-02 0.163E-01 RMM: 6 -0.384206433345E+03 0.13604E-03 -0.15257E-04 3876 0.324E-02 0.775E-02 RMM: 7 -0.384206506458E+03 -0.73113E-04 -0.99692E-05 3828 0.261E-02 0.128E-01 RMM: 8 -0.384206409763E+03 0.96695E-04 -0.49463E-05 3265 0.210E-02 0.363E-02 RMM: 9 -0.384206411943E+03 -0.21799E-05 -0.14936E-05 2500 0.108E-02 789 T= 6417. E= 0.69165172E+03 F= 0.63856265E+03 E0= 0.66998414E+03 EK= 0.53089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384210489490E+03 -0.40797E-02 -0.43665E-01 8712 0.226E+01 0.269E-01 RMM: 2 -0.384231983907E+03 -0.21494E-01 -0.18637E-01 6003 0.803E-01 0.855E-01 RMM: 3 -0.384225155089E+03 0.68288E-02 -0.85426E-03 5352 0.204E-01 0.194E-01 RMM: 4 -0.384225472435E+03 -0.31735E-03 -0.11869E-03 4681 0.749E-02 0.309E-01 RMM: 5 -0.384224918080E+03 0.55436E-03 -0.34593E-04 4106 0.476E-02 0.125E-01 RMM: 6 -0.384224873138E+03 0.44942E-04 -0.14292E-04 3887 0.319E-02 0.941E-02 RMM: 7 -0.384224919462E+03 -0.46324E-04 -0.77323E-05 3620 0.237E-02 0.123E-01 RMM: 8 -0.384224830182E+03 0.89280E-04 -0.45201E-05 3170 0.204E-02 0.350E-02 RMM: 9 -0.384224835045E+03 -0.48626E-05 -0.17710E-05 2503 0.119E-02 790 T= 6127. E= 0.68944665E+03 F= 0.63876371E+03 E0= 0.67017523E+03 EK= 0.50683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384137513679E+03 0.87317E-01 -0.44719E-01 8712 0.222E+01 0.281E-01 RMM: 2 -0.384162809564E+03 -0.25296E-01 -0.17856E-01 6106 0.778E-01 0.120E+00 RMM: 3 -0.384151373484E+03 0.11436E-01 -0.81083E-03 5353 0.196E-01 0.204E-01 RMM: 4 -0.384151554953E+03 -0.18147E-03 -0.13145E-03 4655 0.803E-02 0.283E-01 RMM: 5 -0.384151143363E+03 0.41159E-03 -0.34228E-04 4007 0.469E-02 0.145E-01 RMM: 6 -0.384151045380E+03 0.97983E-04 -0.12845E-04 3875 0.307E-02 0.794E-02 RMM: 7 -0.384151100153E+03 -0.54773E-04 -0.81590E-05 3626 0.240E-02 0.118E-01 RMM: 8 -0.384151017888E+03 0.82265E-04 -0.42386E-05 3151 0.202E-02 0.297E-02 RMM: 9 -0.384151025916E+03 -0.80278E-05 -0.13979E-05 2494 0.104E-02 791 T= 5953. E= 0.68829779E+03 F= 0.63905434E+03 E0= 0.67044812E+03 EK= 0.49243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383977360272E+03 0.17366E+00 -0.45840E-01 8772 0.221E+01 0.246E-01 RMM: 2 -0.383997267226E+03 -0.19907E-01 -0.17061E-01 6388 0.752E-01 0.841E-01 RMM: 3 -0.383991105853E+03 0.61614E-02 -0.64130E-03 5355 0.175E-01 0.197E-01 RMM: 4 -0.383991257870E+03 -0.15202E-03 -0.10238E-03 4644 0.699E-02 0.260E-01 RMM: 5 -0.383990910663E+03 0.34721E-03 -0.28282E-04 3900 0.422E-02 0.142E-01 RMM: 6 -0.383990816814E+03 0.93849E-04 -0.13335E-04 3876 0.315E-02 0.769E-02 RMM: 7 -0.383990886947E+03 -0.70133E-04 -0.81892E-05 3659 0.243E-02 0.125E-01 RMM: 8 -0.383990794075E+03 0.92872E-04 -0.45112E-05 3185 0.205E-02 0.350E-02 RMM: 9 -0.383990794549E+03 -0.47422E-06 -0.15178E-05 2485 0.110E-02 792 T= 5942. E= 0.68858269E+03 F= 0.63942589E+03 E0= 0.67079558E+03 EK= 0.49157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383744480085E+03 0.24631E+00 -0.46876E-01 8760 0.223E+01 0.246E-01 RMM: 2 -0.383765536487E+03 -0.21056E-01 -0.16894E-01 6422 0.744E-01 0.951E-01 RMM: 3 -0.383758065460E+03 0.74710E-02 -0.62897E-03 5372 0.171E-01 0.189E-01 RMM: 4 -0.383758177246E+03 -0.11179E-03 -0.98361E-04 4654 0.680E-02 0.245E-01 RMM: 5 -0.383757836998E+03 0.34025E-03 -0.26700E-04 3892 0.405E-02 0.119E-01 RMM: 6 -0.383757796261E+03 0.40737E-04 -0.12073E-04 3869 0.296E-02 0.892E-02 RMM: 7 -0.383757850962E+03 -0.54701E-04 -0.84134E-05 3646 0.242E-02 0.125E-01 RMM: 8 -0.383757760395E+03 0.90567E-04 -0.46015E-05 3205 0.204E-02 0.341E-02 RMM: 9 -0.383757759715E+03 0.68046E-06 -0.12847E-05 2478 0.101E-02 793 T= 6101. E= 0.69033066E+03 F= 0.63986174E+03 E0= 0.67120320E+03 EK= 0.50469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383460939372E+03 0.29682E+00 -0.47692E-01 8676 0.227E+01 0.254E-01 RMM: 2 -0.383484725027E+03 -0.23786E-01 -0.17338E-01 6372 0.754E-01 0.112E+00 RMM: 3 -0.383474937456E+03 0.97876E-02 -0.71003E-03 5365 0.183E-01 0.219E-01 RMM: 4 -0.383474862810E+03 0.74646E-04 -0.10888E-03 4641 0.703E-02 0.210E-01 RMM: 5 -0.383474691434E+03 0.17138E-03 -0.26459E-04 3896 0.407E-02 0.153E-01 RMM: 6 -0.383474567863E+03 0.12357E-03 -0.12410E-04 3876 0.307E-02 0.701E-02 RMM: 7 -0.383474655057E+03 -0.87194E-04 -0.99330E-05 3815 0.258E-02 0.133E-01 RMM: 8 -0.383474550427E+03 0.10463E-03 -0.55365E-05 3328 0.220E-02 0.364E-02 RMM: 9 -0.383474547685E+03 0.27420E-05 -0.13993E-05 2488 0.107E-02 794 T= 6392. E= 0.69321531E+03 F= 0.64033710E+03 E0= 0.67164823E+03 EK= 0.52878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383155850538E+03 0.31870E+00 -0.45760E-01 8520 0.233E+01 0.261E-01 RMM: 2 -0.383180735826E+03 -0.24885E-01 -0.17714E-01 6063 0.778E-01 0.117E+00 RMM: 3 -0.383169983544E+03 0.10752E-01 -0.79406E-03 5372 0.192E-01 0.217E-01 RMM: 4 -0.383169876069E+03 0.10747E-03 -0.11517E-03 4654 0.726E-02 0.204E-01 RMM: 5 -0.383169672677E+03 0.20339E-03 -0.25543E-04 3889 0.389E-02 0.132E-01 RMM: 6 -0.383169595825E+03 0.76851E-04 -0.10728E-04 3815 0.285E-02 0.762E-02 RMM: 7 -0.383169672974E+03 -0.77149E-04 -0.96149E-05 3799 0.251E-02 0.131E-01 RMM: 8 -0.383169573214E+03 0.99760E-04 -0.56302E-05 3332 0.217E-02 0.436E-02 RMM: 9 -0.383169564890E+03 0.83234E-05 -0.13875E-05 2486 0.107E-02 795 T= 6733. E= 0.69652354E+03 F= 0.64082296E+03 E0= 0.67210440E+03 EK= 0.55701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382851647406E+03 0.31793E+00 -0.41231E-01 8436 0.238E+01 0.274E-01 RMM: 2 -0.382877905020E+03 -0.26258E-01 -0.17057E-01 5902 0.767E-01 0.129E+00 RMM: 3 -0.382864984366E+03 0.12921E-01 -0.88859E-03 5356 0.208E-01 0.228E-01 RMM: 4 -0.382864878107E+03 0.10626E-03 -0.12821E-03 4643 0.760E-02 0.210E-01 RMM: 5 -0.382864716083E+03 0.16202E-03 -0.26826E-04 3908 0.397E-02 0.163E-01 RMM: 6 -0.382864563129E+03 0.15295E-03 -0.11282E-04 3838 0.294E-02 0.640E-02 RMM: 7 -0.382864645479E+03 -0.82350E-04 -0.10592E-04 3850 0.264E-02 0.130E-01 RMM: 8 -0.382864547898E+03 0.97581E-04 -0.62820E-05 3398 0.220E-02 0.441E-02 RMM: 9 -0.382864539142E+03 0.87559E-05 -0.14852E-05 2499 0.111E-02 796 T= 7004. E= 0.69924440E+03 F= 0.64129861E+03 E0= 0.67255424E+03 EK= 0.57946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382555575133E+03 0.30897E+00 -0.35978E-01 8592 0.242E+01 0.250E-01 RMM: 2 -0.382576554458E+03 -0.20979E-01 -0.16000E-01 5653 0.766E-01 0.102E+00 RMM: 3 -0.382568190565E+03 0.83639E-02 -0.87024E-03 5420 0.200E-01 0.220E-01 RMM: 4 -0.382568084732E+03 0.10583E-03 -0.11583E-03 4666 0.741E-02 0.206E-01 RMM: 5 -0.382567873488E+03 0.21124E-03 -0.24494E-04 3890 0.374E-02 0.133E-01 RMM: 6 -0.382567781947E+03 0.91541E-04 -0.91599E-05 3680 0.265E-02 0.678E-02 RMM: 7 -0.382567852631E+03 -0.70684E-04 -0.10132E-04 3844 0.256E-02 0.126E-01 RMM: 8 -0.382567760804E+03 0.91827E-04 -0.59106E-05 3358 0.214E-02 0.420E-02 RMM: 9 -0.382567752785E+03 0.80186E-05 -0.14234E-05 2490 0.107E-02 797 T= 7093. E= 0.70043824E+03 F= 0.64175797E+03 E0= 0.67299560E+03 EK= 0.58680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382281093869E+03 0.28667E+00 -0.30827E-01 8688 0.242E+01 0.264E-01 RMM: 2 -0.382302855463E+03 -0.21762E-01 -0.14169E-01 5589 0.744E-01 0.120E+00 RMM: 3 -0.382292292324E+03 0.10563E-01 -0.88885E-03 5368 0.207E-01 0.243E-01 RMM: 4 -0.382292064914E+03 0.22741E-03 -0.11949E-03 4640 0.747E-02 0.186E-01 RMM: 5 -0.382291955742E+03 0.10917E-03 -0.24792E-04 3906 0.383E-02 0.156E-01 RMM: 6 -0.382291818552E+03 0.13719E-03 -0.10220E-04 3749 0.284E-02 0.650E-02 RMM: 7 -0.382291891329E+03 -0.72777E-04 -0.97928E-05 3762 0.251E-02 0.126E-01 RMM: 8 -0.382291801623E+03 0.89706E-04 -0.64239E-05 3406 0.224E-02 0.464E-02 RMM: 9 -0.382291791339E+03 0.10284E-04 -0.15987E-05 2519 0.115E-02 798 T= 6959. E= 0.69976459E+03 F= 0.64219108E+03 E0= 0.67342040E+03 EK= 0.57574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382071593458E+03 0.22021E+00 -0.26001E-01 8700 0.239E+01 0.286E-01 RMM: 2 -0.382094766806E+03 -0.23173E-01 -0.12760E-01 5516 0.745E-01 0.138E+00 RMM: 3 -0.382081719687E+03 0.13047E-01 -0.10131E-02 5376 0.224E-01 0.302E-01 RMM: 4 -0.382081175328E+03 0.54436E-03 -0.12996E-03 4643 0.765E-02 0.142E-01 RMM: 5 -0.382081153333E+03 0.21995E-04 -0.23408E-04 3896 0.369E-02 0.153E-01 RMM: 6 -0.382081027560E+03 0.12577E-03 -0.10558E-04 3784 0.285E-02 0.730E-02 RMM: 7 -0.382081102600E+03 -0.75039E-04 -0.10193E-04 3783 0.258E-02 0.130E-01 RMM: 8 -0.382081015684E+03 0.86916E-04 -0.65241E-05 3431 0.229E-02 0.598E-02 RMM: 9 -0.382080996525E+03 0.19159E-04 -0.18963E-05 2551 0.128E-02 799 T= 6666. E= 0.69770384E+03 F= 0.64255573E+03 E0= 0.67378706E+03 EK= 0.55148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381994312535E+03 0.86703E-01 -0.21260E-01 8796 0.234E+01 0.264E-01 RMM: 2 -0.382014247821E+03 -0.19935E-01 -0.10944E-01 5697 0.701E-01 0.129E+00 RMM: 3 -0.382003102741E+03 0.11145E-01 -0.86579E-03 5354 0.210E-01 0.269E-01 RMM: 4 -0.382002697700E+03 0.40504E-03 -0.10586E-03 4623 0.676E-02 0.139E-01 RMM: 5 -0.382002659312E+03 0.38388E-04 -0.20739E-04 3888 0.369E-02 0.140E-01 RMM: 6 -0.382002562290E+03 0.97022E-04 -0.98971E-05 3762 0.276E-02 0.755E-02 RMM: 7 -0.382002645427E+03 -0.83137E-04 -0.10129E-04 3766 0.259E-02 0.135E-01 RMM: 8 -0.382002543383E+03 0.10204E-03 -0.63609E-05 3424 0.233E-02 0.488E-02 RMM: 9 -0.382002534483E+03 0.88996E-05 -0.16853E-05 2527 0.118E-02 800 T= 6339. E= 0.69522765E+03 F= 0.64278582E+03 E0= 0.67402820E+03 EK= 0.52442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382087865507E+03 -0.85322E-01 -0.16943E-01 8508 0.229E+01 0.259E-01 RMM: 2 -0.382108325847E+03 -0.20460E-01 -0.96883E-02 5410 0.677E-01 0.140E+00 RMM: 3 -0.382095298009E+03 0.13028E-01 -0.86664E-03 5359 0.212E-01 0.248E-01 RMM: 4 -0.382094980728E+03 0.31728E-03 -0.10724E-03 4652 0.690E-02 0.133E-01 RMM: 5 -0.382094944203E+03 0.36525E-04 -0.18987E-04 3879 0.350E-02 0.132E-01 RMM: 6 -0.382094852488E+03 0.91714E-04 -0.86202E-05 3652 0.258E-02 0.659E-02 RMM: 7 -0.382094919756E+03 -0.67268E-04 -0.85399E-05 3693 0.246E-02 0.120E-01 RMM: 8 -0.382094838550E+03 0.81206E-04 -0.45092E-05 3194 0.204E-02 0.412E-02 RMM: 9 -0.382094833271E+03 0.52783E-05 -0.12762E-05 2476 0.102E-02 801 T= 6095. E= 0.69326498E+03 F= 0.64284259E+03 E0= 0.67410313E+03 EK= 0.50422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382312482480E+03 -0.21764E+00 -0.15720E-01 8100 0.227E+01 0.234E-01 RMM: 2 -0.382327264820E+03 -0.14782E-01 -0.90576E-02 5224 0.638E-01 0.109E+00 RMM: 3 -0.382319231557E+03 0.80333E-02 -0.78067E-03 5375 0.191E-01 0.204E-01 RMM: 4 -0.382319110207E+03 0.12135E-03 -0.91559E-04 4651 0.652E-02 0.167E-01 RMM: 5 -0.382319014939E+03 0.95269E-04 -0.19025E-04 3886 0.343E-02 0.132E-01 RMM: 6 -0.382318918309E+03 0.96629E-04 -0.82126E-05 3600 0.255E-02 0.530E-02 RMM: 7 -0.382318969964E+03 -0.51655E-04 -0.58211E-05 3349 0.205E-02 0.103E-01 RMM: 8 -0.382318908317E+03 0.61647E-04 -0.37292E-05 2983 0.192E-02 0.328E-02 RMM: 9 -0.382318906455E+03 0.18625E-05 -0.12399E-05 2461 0.999E-03 802 T= 6000. E= 0.69240005E+03 F= 0.64276361E+03 E0= 0.67404665E+03 EK= 0.49636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382545259747E+03 -0.22635E+00 -0.16930E-01 8928 0.227E+01 0.308E-01 RMM: 2 -0.382565810618E+03 -0.20551E-01 -0.10243E-01 5296 0.695E-01 0.139E+00 RMM: 3 -0.382552438751E+03 0.13372E-01 -0.10079E-02 5404 0.225E-01 0.290E-01 RMM: 4 -0.382552019881E+03 0.41887E-03 -0.13649E-03 4630 0.816E-02 0.177E-01 RMM: 5 -0.382551920271E+03 0.99610E-04 -0.22321E-04 3910 0.352E-02 0.143E-01 RMM: 6 -0.382551796788E+03 0.12348E-03 -0.71417E-05 3497 0.248E-02 0.458E-02 RMM: 7 -0.382551811957E+03 -0.15169E-04 -0.32274E-05 2790 0.163E-02 803 T= 6064. E= 0.69283591E+03 F= 0.64266991E+03 E0= 0.67397676E+03 EK= 0.50166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382616399166E+03 -0.64602E-01 -0.19426E-01 9144 0.229E+01 0.322E-01 RMM: 2 -0.382637776347E+03 -0.21377E-01 -0.13083E-01 5385 0.773E-01 0.133E+00 RMM: 3 -0.382625962926E+03 0.11813E-01 -0.11629E-02 5415 0.236E-01 0.312E-01 RMM: 4 -0.382625626062E+03 0.33686E-03 -0.15609E-03 4664 0.864E-02 0.233E-01 RMM: 5 -0.382625318714E+03 0.30735E-03 -0.26537E-04 3912 0.396E-02 0.120E-01 RMM: 6 -0.382625245016E+03 0.73698E-04 -0.66722E-05 3446 0.235E-02 0.572E-02 RMM: 7 -0.382625273114E+03 -0.28098E-04 -0.54947E-05 3255 0.198E-02 0.939E-02 RMM: 8 -0.382625229114E+03 0.44000E-04 -0.62379E-05 3424 0.208E-02 0.423E-02 RMM: 9 -0.382625234278E+03 -0.51642E-05 -0.26993E-05 2658 0.148E-02 804 T= 6250. E= 0.69443504E+03 F= 0.64272815E+03 E0= 0.67405841E+03 EK= 0.51707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382366459736E+03 0.25877E+00 -0.22593E-01 9120 0.233E+01 0.359E-01 RMM: 2 -0.382394174749E+03 -0.27715E-01 -0.17087E-01 5390 0.883E-01 0.151E+00 RMM: 3 -0.382378703994E+03 0.15471E-01 -0.15133E-02 5483 0.263E-01 0.255E-01 RMM: 4 -0.382378867428E+03 -0.16343E-03 -0.19089E-03 4723 0.972E-02 0.337E-01 RMM: 5 -0.382378215532E+03 0.65190E-03 -0.40797E-04 4304 0.506E-02 0.148E-01 RMM: 6 -0.382378085924E+03 0.12961E-03 -0.98455E-05 3746 0.266E-02 0.537E-02 RMM: 7 -0.382378081379E+03 0.45453E-05 -0.21855E-05 2568 0.133E-02 805 T= 6486. E= 0.69675875E+03 F= 0.64309853E+03 E0= 0.67444738E+03 EK= 0.53660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381680365749E+03 0.69772E+00 -0.25060E-01 9132 0.237E+01 0.310E-01 RMM: 2 -0.381705361782E+03 -0.24996E-01 -0.18400E-01 5470 0.875E-01 0.123E+00 RMM: 3 -0.381694403625E+03 0.10958E-01 -0.13043E-02 5567 0.236E-01 0.279E-01 RMM: 4 -0.381694186219E+03 0.21741E-03 -0.15535E-03 4683 0.857E-02 0.254E-01 RMM: 5 -0.381693775653E+03 0.41057E-03 -0.29891E-04 3922 0.428E-02 0.116E-01 RMM: 6 -0.381693738268E+03 0.37385E-04 -0.78357E-05 3582 0.243E-02 0.930E-02 RMM: 7 -0.381693784339E+03 -0.46071E-04 -0.17350E-04 3891 0.316E-02 0.140E-01 RMM: 8 -0.381693680053E+03 0.10429E-03 -0.14532E-04 3886 0.298E-02 0.516E-02 RMM: 9 -0.381693699911E+03 -0.19858E-04 -0.47585E-05 3199 0.192E-02 806 T= 6681. E= 0.69916728E+03 F= 0.64389774E+03 E0= 0.67526090E+03 EK= 0.55270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380511787849E+03 0.11819E+01 -0.27376E-01 9060 0.239E+01 0.314E-01 RMM: 2 -0.380535175757E+03 -0.23388E-01 -0.19514E-01 5408 0.890E-01 0.107E+00 RMM: 3 -0.380526287172E+03 0.88886E-02 -0.14500E-02 5702 0.238E-01 0.203E-01 RMM: 4 -0.380526667820E+03 -0.38065E-03 -0.16279E-03 4692 0.890E-02 0.361E-01 RMM: 5 -0.380525895955E+03 0.77187E-03 -0.38583E-04 4120 0.492E-02 0.130E-01 RMM: 6 -0.380525801236E+03 0.94719E-04 -0.94494E-05 3695 0.261E-02 0.509E-02 RMM: 7 -0.380525811900E+03 -0.10665E-04 -0.41267E-05 2846 0.175E-02 807 T= 6755. E= 0.70105432E+03 F= 0.64517279E+03 E0= 0.67654165E+03 EK= 0.55882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378904369527E+03 0.16214E+01 -0.30870E-01 8472 0.239E+01 0.202E-01 RMM: 2 -0.378926701296E+03 -0.22332E-01 -0.18780E-01 5570 0.812E-01 0.887E-01 RMM: 3 -0.378918761422E+03 0.79399E-02 -0.95845E-03 5486 0.206E-01 0.217E-01 RMM: 4 -0.378918516771E+03 0.24465E-03 -0.10095E-03 4865 0.600E-02 0.123E-01 RMM: 5 -0.378918414468E+03 0.10230E-03 -0.13426E-04 3914 0.288E-02 0.963E-02 RMM: 6 -0.378918440498E+03 -0.26030E-04 -0.98159E-05 3726 0.248E-02 0.127E-01 RMM: 7 -0.378918491826E+03 -0.51328E-04 -0.19816E-04 3881 0.338E-02 0.159E-01 RMM: 8 -0.378918343295E+03 0.14853E-03 -0.11964E-04 3867 0.287E-02 0.411E-02 RMM: 9 -0.378918340346E+03 0.29495E-05 -0.20793E-05 2577 0.128E-02 808 T= 6681. E= 0.70215371E+03 F= 0.64688076E+03 E0= 0.67825025E+03 EK= 0.55273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377007892940E+03 0.19105E+01 -0.38125E-01 8472 0.235E+01 0.242E-01 RMM: 2 -0.377036247809E+03 -0.28355E-01 -0.23117E-01 5420 0.983E-01 0.102E+00 RMM: 3 -0.377026774719E+03 0.94731E-02 -0.14403E-02 5454 0.260E-01 0.253E-01 RMM: 4 -0.377026473341E+03 0.30138E-03 -0.13329E-03 4927 0.779E-02 0.170E-01 RMM: 5 -0.377026323303E+03 0.15004E-03 -0.24586E-04 3950 0.401E-02 0.123E-01 RMM: 6 -0.377026269776E+03 0.53527E-04 -0.10636E-04 3823 0.283E-02 0.847E-02 RMM: 7 -0.377026336021E+03 -0.66245E-04 -0.97980E-05 3817 0.251E-02 0.130E-01 RMM: 8 -0.377026239683E+03 0.96338E-04 -0.69257E-05 3506 0.230E-02 0.451E-02 RMM: 9 -0.377026245085E+03 -0.54021E-05 -0.27714E-05 2666 0.150E-02 809 T= 6504. E= 0.70267301E+03 F= 0.64886752E+03 E0= 0.68023346E+03 EK= 0.53805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375080611284E+03 0.19456E+01 -0.41481E-01 8688 0.228E+01 0.301E-01 RMM: 2 -0.375118806917E+03 -0.38196E-01 -0.26989E-01 5391 0.113E+00 0.143E+00 RMM: 3 -0.375103008660E+03 0.15798E-01 -0.19277E-02 5412 0.300E-01 0.339E-01 RMM: 4 -0.375102297787E+03 0.71087E-03 -0.18909E-03 5024 0.934E-02 0.172E-01 RMM: 5 -0.375102138989E+03 0.15880E-03 -0.31170E-04 4003 0.439E-02 0.127E-01 RMM: 6 -0.375102080052E+03 0.58937E-04 -0.10722E-04 3840 0.281E-02 0.979E-02 RMM: 7 -0.375102149788E+03 -0.69736E-04 -0.11803E-04 3880 0.284E-02 0.149E-01 RMM: 8 -0.375102025617E+03 0.12417E-03 -0.97550E-05 3865 0.260E-02 0.538E-02 RMM: 9 -0.375102034155E+03 -0.85380E-05 -0.37584E-05 2991 0.172E-02 810 T= 6316. E= 0.70313097E+03 F= 0.65088097E+03 E0= 0.68224303E+03 EK= 0.52250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373413610338E+03 0.16884E+01 -0.35296E-01 8880 0.224E+01 0.387E-01 RMM: 2 -0.373465890585E+03 -0.52280E-01 -0.24941E-01 5127 0.113E+00 0.211E+00 RMM: 3 -0.373434104893E+03 0.31786E-01 -0.25940E-02 5365 0.367E-01 0.430E-01 RMM: 4 -0.373432884515E+03 0.12204E-02 -0.27114E-03 5279 0.110E-01 0.160E-01 RMM: 5 -0.373432799839E+03 0.84677E-04 -0.36063E-04 4002 0.425E-02 0.151E-01 RMM: 6 -0.373432681341E+03 0.11850E-03 -0.99806E-05 3853 0.277E-02 0.820E-02 RMM: 7 -0.373432710316E+03 -0.28974E-04 -0.87705E-05 3719 0.246E-02 0.111E-01 RMM: 8 -0.373432655942E+03 0.54374E-04 -0.88057E-05 3860 0.237E-02 0.696E-02 RMM: 9 -0.373432638563E+03 0.17379E-04 -0.37341E-05 2992 0.174E-02 811 T= 6214. E= 0.70404315E+03 F= 0.65263414E+03 E0= 0.68399508E+03 EK= 0.51409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372212858287E+03 0.12198E+01 -0.25509E-01 8784 0.223E+01 0.327E-01 RMM: 2 -0.372252157762E+03 -0.39299E-01 -0.18112E-01 5140 0.945E-01 0.189E+00 RMM: 3 -0.372227631223E+03 0.24527E-01 -0.17771E-02 5366 0.307E-01 0.390E-01 RMM: 4 -0.372226617329E+03 0.10139E-02 -0.19599E-03 5080 0.946E-02 0.120E-01 RMM: 5 -0.372226598396E+03 0.18933E-04 -0.26003E-04 3930 0.374E-02 0.128E-01 RMM: 6 -0.372226510502E+03 0.87894E-04 -0.67784E-05 3477 0.233E-02 0.676E-02 RMM: 7 -0.372226528042E+03 -0.17540E-04 -0.50750E-05 3202 0.200E-02 812 T= 6257. E= 0.70568460E+03 F= 0.65391825E+03 E0= 0.68528385E+03 EK= 0.51766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371505385909E+03 0.72112E+00 -0.21488E-01 8664 0.227E+01 0.306E-01 RMM: 2 -0.371539371242E+03 -0.33985E-01 -0.14868E-01 5211 0.841E-01 0.182E+00 RMM: 3 -0.371517253141E+03 0.22118E-01 -0.14902E-02 5354 0.284E-01 0.330E-01 RMM: 4 -0.371516592916E+03 0.66023E-03 -0.15759E-03 4819 0.827E-02 0.129E-01 RMM: 5 -0.371516591055E+03 0.18605E-05 -0.22624E-04 3947 0.369E-02 0.142E-01 RMM: 6 -0.371516480928E+03 0.11013E-03 -0.74820E-05 3534 0.244E-02 0.693E-02 RMM: 7 -0.371516506539E+03 -0.25611E-04 -0.55781E-05 3283 0.206E-02 0.967E-02 RMM: 8 -0.371516495416E+03 0.11123E-04 -0.11485E-04 3885 0.269E-02 813 T= 6441. E= 0.70798083E+03 F= 0.65470030E+03 E0= 0.68607778E+03 EK= 0.53281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371147547572E+03 0.36896E+00 -0.23203E-01 8892 0.234E+01 0.289E-01 RMM: 2 -0.371174636193E+03 -0.27089E-01 -0.16686E-01 5398 0.895E-01 0.144E+00 RMM: 3 -0.371160484998E+03 0.14151E-01 -0.13137E-02 5387 0.249E-01 0.242E-01 RMM: 4 -0.371160420976E+03 0.64022E-04 -0.15550E-03 4749 0.853E-02 0.255E-01 RMM: 5 -0.371160076195E+03 0.34478E-03 -0.30749E-04 4058 0.445E-02 0.122E-01 RMM: 6 -0.371159995689E+03 0.80507E-04 -0.71584E-05 3497 0.239E-02 0.558E-02 RMM: 7 -0.371160001776E+03 -0.60876E-05 -0.27483E-05 2603 0.151E-02 814 T= 6691. E= 0.71047922E+03 F= 0.65512293E+03 E0= 0.68652026E+03 EK= 0.55356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370923736756E+03 0.23626E+00 -0.27781E-01 9084 0.241E+01 0.350E-01 RMM: 2 -0.370956378876E+03 -0.32642E-01 -0.20839E-01 5433 0.103E+00 0.153E+00 RMM: 3 -0.370940397021E+03 0.15982E-01 -0.18451E-02 5493 0.287E-01 0.337E-01 RMM: 4 -0.370939764045E+03 0.63298E-03 -0.19218E-03 4810 0.933E-02 0.233E-01 RMM: 5 -0.370939451497E+03 0.31255E-03 -0.35084E-04 4137 0.469E-02 0.135E-01 RMM: 6 -0.370939373443E+03 0.78054E-04 -0.90109E-05 3698 0.256E-02 0.904E-02 RMM: 7 -0.370939401112E+03 -0.27669E-04 -0.14744E-04 3893 0.304E-02 0.128E-01 RMM: 8 -0.370939318410E+03 0.82701E-04 -0.12717E-04 3889 0.271E-02 0.568E-02 RMM: 9 -0.370939346258E+03 -0.27847E-04 -0.65064E-05 3461 0.213E-02 0.869E-02 RMM: 10 -0.370939304650E+03 0.41608E-04 -0.24845E-05 2713 0.170E-02 0.341E-02 RMM: 11 -0.370939298602E+03 0.60480E-05 -0.62888E-06 2445 0.758E-03 815 T= 6895. E= 0.71244811E+03 F= 0.65540437E+03 E0= 0.68683003E+03 EK= 0.57044E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370660444183E+03 0.27886E+00 -0.31003E-01 9012 0.247E+01 0.358E-01 RMM: 2 -0.370691312878E+03 -0.30869E-01 -0.23947E-01 5402 0.110E+00 0.133E+00 RMM: 3 -0.370679360815E+03 0.11952E-01 -0.20368E-02 5670 0.287E-01 0.275E-01 RMM: 4 -0.370679370309E+03 -0.94936E-05 -0.20602E-03 4893 0.102E-01 0.365E-01 RMM: 5 -0.370678586045E+03 0.78426E-03 -0.50903E-04 4527 0.581E-02 0.141E-01 RMM: 6 -0.370678475889E+03 0.11016E-03 -0.10361E-04 3742 0.259E-02 0.666E-02 RMM: 7 -0.370678465800E+03 0.10089E-04 -0.46039E-05 3000 0.182E-02 816 T= 6949. E= 0.71320862E+03 F= 0.65572132E+03 E0= 0.68717809E+03 EK= 0.57487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370290404587E+03 0.38807E+00 -0.31104E-01 8856 0.247E+01 0.251E-01 RMM: 2 -0.370316481016E+03 -0.26076E-01 -0.19560E-01 5706 0.948E-01 0.116E+00 RMM: 3 -0.370306805567E+03 0.96754E-02 -0.12243E-02 5500 0.231E-01 0.268E-01 RMM: 4 -0.370306420099E+03 0.38547E-03 -0.10862E-03 4737 0.696E-02 0.159E-01 RMM: 5 -0.370306286091E+03 0.13401E-03 -0.16811E-04 3898 0.315E-02 0.118E-01 RMM: 6 -0.370306289231E+03 -0.31399E-05 -0.68812E-05 3510 0.222E-02 817 T= 6819. E= 0.71256093E+03 F= 0.65614574E+03 E0= 0.68763634E+03 EK= 0.56415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369826047809E+03 0.48024E+00 -0.31099E-01 8640 0.244E+01 0.452E-01 RMM: 2 -0.369888311486E+03 -0.62264E-01 -0.19105E-01 5225 0.940E-01 0.269E+00 RMM: 3 -0.369841000212E+03 0.47311E-01 -0.25936E-02 5330 0.387E-01 0.528E-01 RMM: 4 -0.369839184742E+03 0.18155E-02 -0.30576E-03 5281 0.112E-01 0.145E-01 RMM: 5 -0.369839186448E+03 -0.17060E-05 -0.36986E-04 3951 0.409E-02 0.163E-01 RMM: 6 -0.369839049346E+03 0.13710E-03 -0.91182E-05 3646 0.261E-02 0.791E-02 RMM: 7 -0.369839057341E+03 -0.79949E-05 -0.52183E-05 3266 0.195E-02 818 T= 6562. E= 0.71094635E+03 F= 0.65666184E+03 E0= 0.68818474E+03 EK= 0.54285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369334621759E+03 0.50443E+00 -0.31180E-01 8772 0.239E+01 0.533E-01 RMM: 2 -0.369416213775E+03 -0.81592E-01 -0.19265E-01 5041 0.971E-01 0.324E+00 RMM: 3 -0.369349797583E+03 0.66416E-01 -0.32169E-02 5316 0.439E-01 0.667E-01 RMM: 4 -0.369346756244E+03 0.30413E-02 -0.41358E-03 5324 0.136E-01 0.180E-01 RMM: 5 -0.369346747832E+03 0.84123E-05 -0.58554E-04 4393 0.524E-02 0.183E-01 RMM: 6 -0.369346574442E+03 0.17339E-03 -0.15489E-04 3876 0.313E-02 0.888E-02 RMM: 7 -0.369346578929E+03 -0.44875E-05 -0.66132E-05 3454 0.216E-02 819 T= 6283. E= 0.70917718E+03 F= 0.65719993E+03 E0= 0.68874947E+03 EK= 0.51977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368914140820E+03 0.43243E+00 -0.29813E-01 8940 0.234E+01 0.661E-01 RMM: 2 -0.369027324622E+03 -0.11318E+00 -0.22655E-01 5001 0.110E+00 0.390E+00 RMM: 3 -0.368930649919E+03 0.96675E-01 -0.46994E-02 5256 0.541E-01 0.791E-01 RMM: 4 -0.368926381502E+03 0.42684E-02 -0.57027E-03 5329 0.160E-01 0.227E-01 RMM: 5 -0.368926171043E+03 0.21046E-03 -0.74302E-04 4520 0.573E-02 0.155E-01 RMM: 6 -0.368926044057E+03 0.12699E-03 -0.15068E-04 3890 0.309E-02 0.937E-02 RMM: 7 -0.368926024505E+03 0.19552E-04 -0.49796E-05 3229 0.198E-02 820 T= 6087. E= 0.70802249E+03 F= 0.65766260E+03 E0= 0.68923432E+03 EK= 0.50360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368675082107E+03 0.25096E+00 -0.25092E-01 9060 0.232E+01 0.480E-01 RMM: 2 -0.368740694853E+03 -0.65613E-01 -0.17169E-01 5311 0.908E-01 0.288E+00 RMM: 3 -0.368687882858E+03 0.52812E-01 -0.28833E-02 5225 0.412E-01 0.490E-01 RMM: 4 -0.368686306951E+03 0.15759E-02 -0.28755E-03 5215 0.108E-01 0.175E-01 RMM: 5 -0.368686181044E+03 0.12591E-03 -0.36090E-04 4018 0.434E-02 0.135E-01 RMM: 6 -0.368686075670E+03 0.10537E-03 -0.92299E-05 3770 0.263E-02 0.782E-02 RMM: 7 -0.368686096188E+03 -0.20517E-04 -0.56592E-05 3306 0.204E-02 0.103E-01 RMM: 8 -0.368686097190E+03 -0.10021E-05 -0.12323E-04 3894 0.276E-02 821 T= 6045. E= 0.70795017E+03 F= 0.65794068E+03 E0= 0.68952772E+03 EK= 0.50009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368712163560E+03 -0.26067E-01 -0.20884E-01 8508 0.232E+01 0.393E-01 RMM: 2 -0.368754500897E+03 -0.42337E-01 -0.15642E-01 5100 0.873E-01 0.215E+00 RMM: 3 -0.368724527683E+03 0.29973E-01 -0.21564E-02 5344 0.339E-01 0.437E-01 RMM: 4 -0.368723274558E+03 0.12531E-02 -0.25082E-03 5039 0.103E-01 0.174E-01 RMM: 5 -0.368723239610E+03 0.34948E-04 -0.40162E-04 4095 0.463E-02 0.168E-01 RMM: 6 -0.368723063777E+03 0.17583E-03 -0.12076E-04 3851 0.304E-02 0.595E-02 RMM: 7 -0.368723059217E+03 0.45601E-05 -0.26478E-05 2677 0.149E-02 822 T= 6179. E= 0.70905718E+03 F= 0.65793747E+03 E0= 0.68953539E+03 EK= 0.51120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369080319660E+03 -0.35726E+00 -0.17543E-01 7848 0.236E+01 0.256E-01 RMM: 2 -0.369102654018E+03 -0.22334E-01 -0.10498E-01 5465 0.702E-01 0.145E+00 RMM: 3 -0.369088496725E+03 0.14157E-01 -0.10432E-02 5349 0.223E-01 0.250E-01 RMM: 4 -0.369088120256E+03 0.37647E-03 -0.10257E-03 4659 0.650E-02 0.112E-01 RMM: 5 -0.369088064922E+03 0.55334E-04 -0.13628E-04 3915 0.288E-02 0.994E-02 RMM: 6 -0.369088014568E+03 0.50354E-04 -0.44442E-05 3129 0.190E-02 0.606E-02 RMM: 7 -0.369088052054E+03 -0.37486E-04 -0.49888E-05 3185 0.188E-02 0.107E-01 RMM: 8 -0.369087992805E+03 0.59249E-04 -0.95742E-05 3898 0.240E-02 0.561E-02 RMM: 9 -0.369087975049E+03 0.17756E-04 -0.23017E-05 2619 0.133E-02 823 T= 6460. E= 0.71104337E+03 F= 0.65760172E+03 E0= 0.68920566E+03 EK= 0.53442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369756296610E+03 -0.66830E+00 -0.17084E-01 7740 0.242E+01 0.332E-01 RMM: 2 -0.369783799371E+03 -0.27503E-01 -0.11077E-01 5099 0.775E-01 0.175E+00 RMM: 3 -0.369764223418E+03 0.19576E-01 -0.14014E-02 5389 0.271E-01 0.347E-01 RMM: 4 -0.369763527410E+03 0.69601E-03 -0.16156E-03 4693 0.843E-02 0.151E-01 RMM: 5 -0.369763486126E+03 0.41283E-04 -0.26895E-04 3914 0.411E-02 0.149E-01 RMM: 6 -0.369763355724E+03 0.13040E-03 -0.87640E-05 3610 0.266E-02 0.461E-02 RMM: 7 -0.369763352835E+03 0.28892E-05 -0.21538E-05 2536 0.139E-02 824 T= 6798. E= 0.71318884E+03 F= 0.65695102E+03 E0= 0.68855750E+03 EK= 0.56238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370666182348E+03 -0.90283E+00 -0.18230E-01 8460 0.247E+01 0.270E-01 RMM: 2 -0.370687505418E+03 -0.21323E-01 -0.11303E-01 5315 0.767E-01 0.137E+00 RMM: 3 -0.370675011145E+03 0.12494E-01 -0.11800E-02 5434 0.234E-01 0.254E-01 RMM: 4 -0.370674643877E+03 0.36727E-03 -0.11750E-03 4653 0.722E-02 0.152E-01 RMM: 5 -0.370674508701E+03 0.13518E-03 -0.18700E-04 3898 0.350E-02 0.107E-01 RMM: 6 -0.370674446915E+03 0.61786E-04 -0.47971E-05 3155 0.202E-02 0.653E-02 RMM: 7 -0.370674450436E+03 -0.35210E-05 -0.50388E-05 3104 0.190E-02 825 T= 7060. E= 0.71446965E+03 F= 0.65606044E+03 E0= 0.68766590E+03 EK= 0.58409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371718136623E+03 -0.10437E+01 -0.20436E-01 9144 0.249E+01 0.349E-01 RMM: 2 -0.371751936837E+03 -0.33800E-01 -0.14561E-01 5233 0.871E-01 0.186E+00 RMM: 3 -0.371729306690E+03 0.22630E-01 -0.16853E-02 5410 0.290E-01 0.390E-01 RMM: 4 -0.371728317199E+03 0.98949E-03 -0.18879E-03 4732 0.921E-02 0.147E-01 RMM: 5 -0.371728259618E+03 0.57581E-04 -0.29917E-04 3932 0.421E-02 0.146E-01 RMM: 6 -0.371728140826E+03 0.11879E-03 -0.88369E-05 3710 0.265E-02 0.684E-02 RMM: 7 -0.371728137318E+03 0.35073E-05 -0.27595E-05 2619 0.158E-02 826 T= 7127. E= 0.71398164E+03 F= 0.65502346E+03 E0= 0.68662556E+03 EK= 0.58958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372837633337E+03 -0.11095E+01 -0.21737E-01 9216 0.247E+01 0.317E-01 RMM: 2 -0.372867474896E+03 -0.29842E-01 -0.14227E-01 5284 0.825E-01 0.167E+00 RMM: 3 -0.372848899833E+03 0.18575E-01 -0.15354E-02 5385 0.275E-01 0.351E-01 RMM: 4 -0.372848152882E+03 0.74695E-03 -0.16783E-03 4708 0.839E-02 0.147E-01 RMM: 5 -0.372848050311E+03 0.10257E-03 -0.23207E-04 3923 0.375E-02 0.125E-01 RMM: 6 -0.372847966213E+03 0.84098E-04 -0.58277E-05 3304 0.222E-02 0.747E-02 RMM: 7 -0.372847972337E+03 -0.61235E-05 -0.48805E-05 3075 0.195E-02 827 T= 6961. E= 0.71150535E+03 F= 0.65391671E+03 E0= 0.68551198E+03 EK= 0.57589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373968644253E+03 -0.11207E+01 -0.21177E-01 9084 0.242E+01 0.340E-01 RMM: 2 -0.374005690948E+03 -0.37047E-01 -0.13761E-01 5149 0.795E-01 0.202E+00 RMM: 3 -0.373979176744E+03 0.26514E-01 -0.15944E-02 5366 0.293E-01 0.410E-01 RMM: 4 -0.373978049590E+03 0.11272E-02 -0.18515E-03 4752 0.892E-02 0.126E-01 RMM: 5 -0.373978009615E+03 0.39975E-04 -0.25842E-04 3918 0.389E-02 0.118E-01 RMM: 6 -0.373977929384E+03 0.80231E-04 -0.60206E-05 3306 0.218E-02 0.633E-02 RMM: 7 -0.373977934883E+03 -0.54996E-05 -0.28150E-05 2616 0.162E-02 828 T= 6635. E= 0.70768553E+03 F= 0.65279611E+03 E0= 0.68438127E+03 EK= 0.54889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375059890521E+03 -0.10820E+01 -0.20445E-01 9024 0.236E+01 0.295E-01 RMM: 2 -0.375089602125E+03 -0.29712E-01 -0.12500E-01 5248 0.715E-01 0.173E+00 RMM: 3 -0.375069374020E+03 0.20228E-01 -0.12887E-02 5348 0.264E-01 0.330E-01 RMM: 4 -0.375068728385E+03 0.64563E-03 -0.14825E-03 4746 0.756E-02 0.117E-01 RMM: 5 -0.375068673607E+03 0.54778E-04 -0.18522E-04 3898 0.343E-02 0.107E-01 RMM: 6 -0.375068607920E+03 0.65687E-04 -0.44501E-05 3085 0.196E-02 0.551E-02 RMM: 7 -0.375068614148E+03 -0.62282E-05 -0.30328E-05 2673 0.165E-02 829 T= 6275. E= 0.70362501E+03 F= 0.65171069E+03 E0= 0.68328146E+03 EK= 0.51914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376060051050E+03 -0.99144E+00 -0.19729E-01 9060 0.230E+01 0.291E-01 RMM: 2 -0.376089721829E+03 -0.29671E-01 -0.11755E-01 5252 0.698E-01 0.175E+00 RMM: 3 -0.376068982727E+03 0.20739E-01 -0.12154E-02 5381 0.251E-01 0.345E-01 RMM: 4 -0.376068155385E+03 0.82734E-03 -0.14058E-03 4678 0.770E-02 0.107E-01 RMM: 5 -0.376068131161E+03 0.24224E-04 -0.19550E-04 3915 0.341E-02 0.991E-02 RMM: 6 -0.376068071688E+03 0.59473E-04 -0.41457E-05 3038 0.184E-02 0.514E-02 RMM: 7 -0.376068079315E+03 -0.76271E-05 -0.22405E-05 2559 0.143E-02 830 T= 5998. E= 0.70032766E+03 F= 0.65071180E+03 E0= 0.68226420E+03 EK= 0.49616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376918793216E+03 -0.85072E+00 -0.19552E-01 9036 0.227E+01 0.312E-01 RMM: 2 -0.376949385741E+03 -0.30593E-01 -0.11753E-01 5341 0.696E-01 0.180E+00 RMM: 3 -0.376927347934E+03 0.22038E-01 -0.13059E-02 5341 0.264E-01 0.332E-01 RMM: 4 -0.376926632893E+03 0.71504E-03 -0.14807E-03 4777 0.741E-02 0.925E-02 RMM: 5 -0.376926622213E+03 0.10680E-04 -0.17520E-04 3895 0.321E-02 831 T= 5871. E= 0.69841595E+03 F= 0.64984860E+03 E0= 0.68137775E+03 EK= 0.48567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377594083234E+03 -0.66745E+00 -0.19891E-01 9072 0.227E+01 0.197E-01 RMM: 2 -0.377612364453E+03 -0.18281E-01 -0.11282E-01 5918 0.630E-01 0.112E+00 RMM: 3 -0.377602906194E+03 0.94583E-02 -0.63804E-03 5350 0.182E-01 0.223E-01 RMM: 4 -0.377602630807E+03 0.27539E-03 -0.77869E-04 4860 0.522E-02 0.114E-01 RMM: 5 -0.377602567727E+03 0.63081E-04 -0.93390E-05 3774 0.230E-02 0.974E-02 RMM: 6 -0.377602546348E+03 0.21379E-04 -0.57884E-05 3297 0.204E-02 0.895E-02 RMM: 7 -0.377602660475E+03 -0.11413E-03 -0.17862E-04 3896 0.310E-02 0.160E-01 RMM: 8 -0.377602514391E+03 0.14608E-03 -0.11636E-04 3896 0.265E-02 0.518E-02 RMM: 9 -0.377602498860E+03 0.15531E-04 -0.18921E-05 2576 0.123E-02 832 T= 5918. E= 0.69811994E+03 F= 0.64916255E+03 E0= 0.68066408E+03 EK= 0.48957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378060060647E+03 -0.45755E+00 -0.20130E-01 9048 0.229E+01 0.283E-01 RMM: 2 -0.378079472152E+03 -0.19412E-01 -0.12120E-01 5361 0.701E-01 0.122E+00 RMM: 3 -0.378068893921E+03 0.10578E-01 -0.10305E-02 5426 0.221E-01 0.239E-01 RMM: 4 -0.378068772139E+03 0.12178E-03 -0.11885E-03 4664 0.716E-02 0.205E-01 RMM: 5 -0.378068595806E+03 0.17633E-03 -0.21213E-04 3928 0.331E-02 0.139E-01 RMM: 6 -0.378068483715E+03 0.11209E-03 -0.73762E-05 3492 0.245E-02 0.416E-02 RMM: 7 -0.378068507819E+03 -0.24104E-04 -0.31191E-05 2796 0.159E-02 0.732E-02 RMM: 8 -0.378068487529E+03 0.20291E-04 -0.26425E-05 2597 0.158E-02 0.389E-02 RMM: 9 -0.378068480348E+03 0.71807E-05 -0.10936E-05 2458 0.993E-03 833 T= 6122. E= 0.69932813E+03 F= 0.64868097E+03 E0= 0.68014938E+03 EK= 0.50647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378298979654E+03 -0.23049E+00 -0.20388E-01 9000 0.233E+01 0.208E-01 RMM: 2 -0.378318741001E+03 -0.19761E-01 -0.12202E-01 5714 0.686E-01 0.118E+00 RMM: 3 -0.378308462103E+03 0.10279E-01 -0.74462E-03 5456 0.184E-01 0.188E-01 RMM: 4 -0.378308252174E+03 0.20993E-03 -0.76072E-04 4769 0.546E-02 0.999E-02 RMM: 5 -0.378308204908E+03 0.47266E-04 -0.91047E-05 3771 0.227E-02 0.845E-02 RMM: 6 -0.378308171278E+03 0.33630E-04 -0.25599E-05 2626 0.150E-02 0.555E-02 RMM: 7 -0.378308191606E+03 -0.20328E-04 -0.49759E-05 3186 0.189E-02 0.868E-02 RMM: 8 -0.378308142771E+03 0.48835E-04 -0.59170E-05 3289 0.188E-02 0.308E-02 RMM: 9 -0.378308140425E+03 0.23466E-05 -0.14180E-05 2467 0.103E-02 834 T= 6428. E= 0.70159364E+03 F= 0.64842069E+03 E0= 0.67984996E+03 EK= 0.53173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378308433735E+03 -0.29096E-03 -0.20988E-01 8952 0.238E+01 0.214E-01 RMM: 2 -0.378326809428E+03 -0.18376E-01 -0.13187E-01 5452 0.734E-01 0.104E+00 RMM: 3 -0.378318859539E+03 0.79499E-02 -0.91130E-03 5553 0.199E-01 0.215E-01 RMM: 4 -0.378318559312E+03 0.30023E-03 -0.81893E-04 4741 0.589E-02 0.102E-01 RMM: 5 -0.378318524263E+03 0.35049E-04 -0.11363E-04 3847 0.246E-02 0.977E-02 RMM: 6 -0.378318474718E+03 0.49545E-04 -0.32502E-05 2882 0.172E-02 0.472E-02 RMM: 7 -0.378318485893E+03 -0.11175E-04 -0.23499E-05 2542 0.140E-02 835 T= 6739. E= 0.70413639E+03 F= 0.64838516E+03 E0= 0.67976937E+03 EK= 0.55751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378099537501E+03 0.21894E+00 -0.20470E-01 8820 0.241E+01 0.210E-01 RMM: 2 -0.378117749846E+03 -0.18212E-01 -0.12501E-01 5597 0.707E-01 0.106E+00 RMM: 3 -0.378109271140E+03 0.84787E-02 -0.77036E-03 5417 0.189E-01 0.239E-01 RMM: 4 -0.378108921371E+03 0.34977E-03 -0.82395E-04 4751 0.571E-02 0.917E-02 RMM: 5 -0.378108885595E+03 0.35776E-04 -0.96022E-05 3851 0.241E-02 0.778E-02 RMM: 6 -0.378108865555E+03 0.20040E-04 -0.24048E-05 2621 0.145E-02 0.618E-02 RMM: 7 -0.378108901294E+03 -0.35739E-04 -0.52942E-05 3274 0.193E-02 0.101E-01 RMM: 8 -0.378108845466E+03 0.55827E-04 -0.59115E-05 3442 0.207E-02 0.379E-02 RMM: 9 -0.378108841436E+03 0.40300E-05 -0.15500E-05 2488 0.112E-02 836 T= 6944. E= 0.70601123E+03 F= 0.64856538E+03 E0= 0.67989972E+03 EK= 0.57446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377684389848E+03 0.42446E+00 -0.20026E-01 8856 0.242E+01 0.200E-01 RMM: 2 -0.377701421738E+03 -0.17032E-01 -0.12908E-01 5416 0.711E-01 0.936E-01 RMM: 3 -0.377694277782E+03 0.71440E-02 -0.77918E-03 5448 0.187E-01 0.182E-01 RMM: 4 -0.377694182707E+03 0.95075E-04 -0.85597E-04 4714 0.605E-02 0.150E-01 RMM: 5 -0.377694058153E+03 0.12455E-03 -0.14097E-04 3893 0.286E-02 0.947E-02 RMM: 6 -0.377694010012E+03 0.48141E-04 -0.43541E-05 3094 0.196E-02 0.413E-02 RMM: 7 -0.377694023069E+03 -0.13056E-04 -0.23847E-05 2553 0.139E-02 837 T= 6958. E= 0.70651123E+03 F= 0.64894653E+03 E0= 0.68022750E+03 EK= 0.57565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377088049667E+03 0.60596E+00 -0.19989E-01 8784 0.240E+01 0.176E-01 RMM: 2 -0.377103690291E+03 -0.15641E-01 -0.12866E-01 5350 0.728E-01 0.800E-01 RMM: 3 -0.377098216857E+03 0.54734E-02 -0.80893E-03 5680 0.185E-01 0.186E-01 RMM: 4 -0.377097992979E+03 0.22388E-03 -0.67062E-04 4800 0.508E-02 0.896E-02 RMM: 5 -0.377097944633E+03 0.48346E-04 -0.74414E-05 3667 0.219E-02 0.748E-02 RMM: 6 -0.377097941780E+03 0.28529E-05 -0.28785E-05 2608 0.157E-02 838 T= 6778. E= 0.70557394E+03 F= 0.64950436E+03 E0= 0.68073004E+03 EK= 0.56070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376348859216E+03 0.74909E+00 -0.19592E-01 8856 0.235E+01 0.296E-01 RMM: 2 -0.376377362043E+03 -0.28503E-01 -0.12778E-01 5329 0.729E-01 0.166E+00 RMM: 3 -0.376358359724E+03 0.19002E-01 -0.12498E-02 5349 0.257E-01 0.272E-01 RMM: 4 -0.376357891613E+03 0.46811E-03 -0.12925E-03 4737 0.700E-02 0.104E-01 RMM: 5 -0.376357855258E+03 0.36354E-04 -0.13998E-04 3926 0.299E-02 0.989E-02 RMM: 6 -0.376357808757E+03 0.46502E-04 -0.36717E-05 2928 0.178E-02 0.583E-02 RMM: 7 -0.376357847148E+03 -0.38391E-04 -0.57715E-05 3367 0.208E-02 0.989E-02 RMM: 8 -0.376357793474E+03 0.53674E-04 -0.46373E-05 3056 0.183E-02 0.444E-02 RMM: 9 -0.376357785510E+03 0.79642E-05 -0.17651E-05 2503 0.119E-02 839 T= 6481. E= 0.70381327E+03 F= 0.65020123E+03 E0= 0.68137256E+03 EK= 0.53612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375512775184E+03 0.84502E+00 -0.19382E-01 8892 0.229E+01 0.321E-01 RMM: 2 -0.375543636192E+03 -0.30861E-01 -0.13137E-01 5308 0.735E-01 0.176E+00 RMM: 3 -0.375522486240E+03 0.21150E-01 -0.12865E-02 5341 0.263E-01 0.336E-01 RMM: 4 -0.375521787123E+03 0.69912E-03 -0.16716E-03 4735 0.844E-02 0.130E-01 RMM: 5 -0.375521813488E+03 -0.26365E-04 -0.23154E-04 3910 0.383E-02 0.155E-01 RMM: 6 -0.375521658972E+03 0.15452E-03 -0.77496E-05 3566 0.254E-02 0.417E-02 RMM: 7 -0.375521677741E+03 -0.18769E-04 -0.36132E-05 2929 0.172E-02 840 T= 6183. E= 0.70214206E+03 F= 0.65098866E+03 E0= 0.68210597E+03 EK= 0.51153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374633198453E+03 0.88846E+00 -0.20007E-01 8616 0.224E+01 0.206E-01 RMM: 2 -0.374653018246E+03 -0.19820E-01 -0.12683E-01 5626 0.679E-01 0.113E+00 RMM: 3 -0.374642717019E+03 0.10301E-01 -0.73532E-03 5354 0.191E-01 0.194E-01 RMM: 4 -0.374642527475E+03 0.18954E-03 -0.82783E-04 4803 0.563E-02 0.112E-01 RMM: 5 -0.374642466152E+03 0.61323E-04 -0.10184E-04 3840 0.252E-02 0.884E-02 RMM: 6 -0.374642433890E+03 0.32262E-04 -0.34299E-05 2922 0.171E-02 0.622E-02 RMM: 7 -0.374642487110E+03 -0.53220E-04 -0.82311E-05 3743 0.220E-02 0.114E-01 RMM: 8 -0.374642411346E+03 0.75763E-04 -0.56342E-05 3324 0.208E-02 0.339E-02 RMM: 9 -0.374642407475E+03 0.38711E-05 -0.12867E-05 2468 0.100E-02 841 T= 5987. E= 0.70134467E+03 F= 0.65181388E+03 E0= 0.68287840E+03 EK= 0.49531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373759468339E+03 0.88294E+00 -0.20787E-01 8532 0.222E+01 0.188E-01 RMM: 2 -0.373776334879E+03 -0.16867E-01 -0.13134E-01 5519 0.685E-01 0.874E-01 RMM: 3 -0.373769294047E+03 0.70408E-02 -0.73520E-03 5392 0.182E-01 0.161E-01 RMM: 4 -0.373769274595E+03 0.19451E-04 -0.83385E-04 4744 0.589E-02 0.160E-01 RMM: 5 -0.373769119478E+03 0.15512E-03 -0.13901E-04 3900 0.287E-02 0.828E-02 RMM: 6 -0.373769080842E+03 0.38636E-04 -0.36524E-05 3003 0.179E-02 0.444E-02 RMM: 7 -0.373769093615E+03 -0.12773E-04 -0.31243E-05 2666 0.154E-02 842 T= 5953. E= 0.70187326E+03 F= 0.65262827E+03 E0= 0.68364126E+03 EK= 0.49245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372929154801E+03 0.83993E+00 -0.22309E-01 8700 0.223E+01 0.175E-01 RMM: 2 -0.372945749565E+03 -0.16595E-01 -0.14187E-01 5627 0.712E-01 0.740E-01 RMM: 3 -0.372940059578E+03 0.56900E-02 -0.74421E-03 5626 0.177E-01 0.158E-01 RMM: 4 -0.372939933528E+03 0.12605E-03 -0.68680E-04 4706 0.514E-02 0.115E-01 RMM: 5 -0.372939841166E+03 0.92362E-04 -0.92313E-05 3729 0.233E-02 0.689E-02 RMM: 6 -0.372939851484E+03 -0.10318E-04 -0.41673E-05 3052 0.182E-02 843 T= 6096. E= 0.70382193E+03 F= 0.65339466E+03 E0= 0.68435682E+03 EK= 0.50427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372174847906E+03 0.76499E+00 -0.24518E-01 8544 0.227E+01 0.315E-01 RMM: 2 -0.372208442057E+03 -0.33594E-01 -0.16035E-01 5472 0.780E-01 0.175E+00 RMM: 3 -0.372187075879E+03 0.21366E-01 -0.14123E-02 5356 0.267E-01 0.346E-01 RMM: 4 -0.372186279097E+03 0.79678E-03 -0.16249E-03 4742 0.802E-02 0.106E-01 RMM: 5 -0.372186261363E+03 0.17735E-04 -0.20796E-04 3934 0.347E-02 0.114E-01 RMM: 6 -0.372186190079E+03 0.71284E-04 -0.58351E-05 3310 0.214E-02 0.638E-02 RMM: 7 -0.372186228491E+03 -0.38412E-04 -0.59209E-05 3389 0.209E-02 0.101E-01 RMM: 8 -0.372186173016E+03 0.55475E-04 -0.63053E-05 3362 0.196E-02 0.506E-02 RMM: 9 -0.372186160537E+03 0.12479E-04 -0.19457E-05 2529 0.125E-02 844 T= 6386. E= 0.70690956E+03 F= 0.65408264E+03 E0= 0.68499618E+03 EK= 0.52827E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371519754356E+03 0.66642E+00 -0.27259E-01 8580 0.233E+01 0.358E-01 RMM: 2 -0.371562249145E+03 -0.42495E-01 -0.17725E-01 5442 0.830E-01 0.205E+00 RMM: 3 -0.371533022546E+03 0.29227E-01 -0.16236E-02 5361 0.291E-01 0.391E-01 RMM: 4 -0.371532019571E+03 0.10030E-02 -0.21354E-03 4810 0.945E-02 0.120E-01 RMM: 5 -0.371532042029E+03 -0.22458E-04 -0.28272E-04 3928 0.398E-02 0.156E-01 RMM: 6 -0.371531888025E+03 0.15400E-03 -0.89635E-05 3737 0.264E-02 0.454E-02 RMM: 7 -0.371531914878E+03 -0.26853E-04 -0.46607E-05 3133 0.187E-02 0.847E-02 RMM: 8 -0.371531871821E+03 0.43057E-04 -0.39668E-05 2776 0.187E-02 0.298E-02 RMM: 9 -0.371531870266E+03 0.15547E-05 -0.13063E-05 2462 0.997E-03 845 T= 6741. E= 0.71043949E+03 F= 0.65466921E+03 E0= 0.68553799E+03 EK= 0.55770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370985926597E+03 0.54595E+00 -0.29032E-01 8496 0.238E+01 0.233E-01 RMM: 2 -0.371012592299E+03 -0.26666E-01 -0.17972E-01 5739 0.813E-01 0.124E+00 RMM: 3 -0.371000037476E+03 0.12555E-01 -0.10321E-02 5370 0.221E-01 0.219E-01 RMM: 4 -0.370999752455E+03 0.28502E-03 -0.10910E-03 4849 0.643E-02 0.117E-01 RMM: 5 -0.370999674986E+03 0.77469E-04 -0.14399E-04 3910 0.305E-02 0.915E-02 RMM: 6 -0.370999637564E+03 0.37421E-04 -0.44160E-05 3086 0.190E-02 0.641E-02 RMM: 7 -0.370999668369E+03 -0.30805E-04 -0.76175E-05 3659 0.227E-02 0.100E-01 RMM: 8 -0.370999602667E+03 0.65702E-04 -0.45567E-05 3110 0.188E-02 0.319E-02 RMM: 9 -0.370999603212E+03 -0.54475E-06 -0.16064E-05 2485 0.109E-02 846 T= 7039. E= 0.71336168E+03 F= 0.65513199E+03 E0= 0.68596191E+03 EK= 0.58230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370600815060E+03 0.39879E+00 -0.30133E-01 8640 0.242E+01 0.230E-01 RMM: 2 -0.370625126865E+03 -0.24312E-01 -0.19194E-01 5539 0.876E-01 0.102E+00 RMM: 3 -0.370616135563E+03 0.89913E-02 -0.11458E-02 5622 0.224E-01 0.221E-01 RMM: 4 -0.370615822610E+03 0.31295E-03 -0.10271E-03 4748 0.671E-02 0.122E-01 RMM: 5 -0.370615747627E+03 0.74984E-04 -0.15618E-04 3900 0.312E-02 0.955E-02 RMM: 6 -0.370615702864E+03 0.44763E-04 -0.46009E-05 3108 0.197E-02 0.560E-02 RMM: 7 -0.370615735363E+03 -0.32499E-04 -0.56143E-05 3360 0.200E-02 0.970E-02 RMM: 8 -0.370615675484E+03 0.59880E-04 -0.37754E-05 2905 0.180E-02 0.287E-02 RMM: 9 -0.370615675375E+03 0.10919E-06 -0.14863E-05 2465 0.104E-02 847 T= 7155. E= 0.71463806E+03 F= 0.65544421E+03 E0= 0.68624460E+03 EK= 0.59194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370394021422E+03 0.22165E+00 -0.28978E-01 8544 0.242E+01 0.218E-01 RMM: 2 -0.370417471492E+03 -0.23450E-01 -0.18772E-01 5673 0.877E-01 0.971E-01 RMM: 3 -0.370409247925E+03 0.82236E-02 -0.10523E-02 5551 0.217E-01 0.197E-01 RMM: 4 -0.370409049057E+03 0.19887E-03 -0.94252E-04 4738 0.654E-02 0.144E-01 RMM: 5 -0.370408941844E+03 0.10721E-03 -0.15720E-04 3886 0.319E-02 0.952E-02 RMM: 6 -0.370408899696E+03 0.42148E-04 -0.48225E-05 3163 0.201E-02 0.594E-02 RMM: 7 -0.370408935418E+03 -0.35722E-04 -0.61612E-05 3441 0.205E-02 0.990E-02 RMM: 8 -0.370408872934E+03 0.62484E-04 -0.44521E-05 3077 0.192E-02 0.301E-02 RMM: 9 -0.370408871997E+03 0.93752E-06 -0.14440E-05 2467 0.105E-02 848 T= 7040. E= 0.71381816E+03 F= 0.65557601E+03 E0= 0.68635820E+03 EK= 0.58242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370392403392E+03 0.16470E-01 -0.26110E-01 8616 0.239E+01 0.235E-01 RMM: 2 -0.370415550825E+03 -0.23147E-01 -0.17949E-01 5477 0.872E-01 0.103E+00 RMM: 3 -0.370406756975E+03 0.87939E-02 -0.11028E-02 5531 0.224E-01 0.209E-01 RMM: 4 -0.370406564449E+03 0.19253E-03 -0.10594E-03 4742 0.699E-02 0.154E-01 RMM: 5 -0.370406444271E+03 0.12018E-03 -0.17159E-04 3901 0.317E-02 0.108E-01 RMM: 6 -0.370406381305E+03 0.62966E-04 -0.52227E-05 3210 0.210E-02 0.535E-02 RMM: 7 -0.370406415380E+03 -0.34075E-04 -0.55764E-05 3329 0.200E-02 0.964E-02 RMM: 8 -0.370406357553E+03 0.57828E-04 -0.47311E-05 3065 0.193E-02 0.311E-02 RMM: 9 -0.370406355171E+03 0.23819E-05 -0.15089E-05 2467 0.109E-02 849 T= 6749. E= 0.71133096E+03 F= 0.65549894E+03 E0= 0.68627510E+03 EK= 0.55832E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370608290740E+03 -0.20193E+00 -0.22261E-01 8808 0.234E+01 0.241E-01 RMM: 2 -0.370630546637E+03 -0.22256E-01 -0.16193E-01 5311 0.846E-01 0.109E+00 RMM: 3 -0.370621294551E+03 0.92521E-02 -0.11187E-02 5647 0.221E-01 0.216E-01 RMM: 4 -0.370621041716E+03 0.25283E-03 -0.10116E-03 4712 0.708E-02 0.154E-01 RMM: 5 -0.370620929914E+03 0.11180E-03 -0.17758E-04 3895 0.329E-02 0.112E-01 RMM: 6 -0.370620859755E+03 0.70160E-04 -0.50519E-05 3207 0.206E-02 0.517E-02 RMM: 7 -0.370620890162E+03 -0.30408E-04 -0.60017E-05 3416 0.205E-02 0.923E-02 RMM: 8 -0.370620836531E+03 0.53631E-04 -0.47656E-05 3057 0.190E-02 0.351E-02 RMM: 9 -0.370620831701E+03 0.48299E-05 -0.15329E-05 2472 0.111E-02 850 T= 6405. E= 0.70818398E+03 F= 0.65519912E+03 E0= 0.68598010E+03 EK= 0.52985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371026621953E+03 -0.40579E+00 -0.18905E-01 8808 0.230E+01 0.221E-01 RMM: 2 -0.371044769366E+03 -0.18147E-01 -0.13639E-01 5322 0.775E-01 0.981E-01 RMM: 3 -0.371037351613E+03 0.74178E-02 -0.92529E-03 5658 0.200E-01 0.181E-01 RMM: 4 -0.371037226408E+03 0.12521E-03 -0.85403E-04 4689 0.643E-02 0.156E-01 RMM: 5 -0.371037083568E+03 0.14284E-03 -0.14860E-04 3876 0.292E-02 0.978E-02 RMM: 6 -0.371037034579E+03 0.48989E-04 -0.47908E-05 3179 0.200E-02 0.542E-02 RMM: 7 -0.371037065504E+03 -0.30925E-04 -0.57325E-05 3367 0.200E-02 0.965E-02 RMM: 8 -0.371037005908E+03 0.59595E-04 -0.45460E-05 3044 0.189E-02 0.292E-02 RMM: 9 -0.371037003920E+03 0.19886E-05 -0.14211E-05 2459 0.105E-02 851 T= 6129. E= 0.70539635E+03 F= 0.65469121E+03 E0= 0.68548614E+03 EK= 0.50705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371604317544E+03 -0.56731E+00 -0.16781E-01 8592 0.228E+01 0.213E-01 RMM: 2 -0.371620915937E+03 -0.16598E-01 -0.12115E-01 5256 0.732E-01 0.963E-01 RMM: 3 -0.371613842372E+03 0.70736E-02 -0.92421E-03 5771 0.192E-01 0.185E-01 RMM: 4 -0.371613628253E+03 0.21412E-03 -0.78235E-04 4687 0.615E-02 0.139E-01 RMM: 5 -0.371613515692E+03 0.11256E-03 -0.14212E-04 3884 0.298E-02 0.928E-02 RMM: 6 -0.371613473580E+03 0.42112E-04 -0.42653E-05 3100 0.189E-02 0.564E-02 RMM: 7 -0.371613501627E+03 -0.28047E-04 -0.64095E-05 3479 0.207E-02 0.952E-02 RMM: 8 -0.371613441610E+03 0.60017E-04 -0.38747E-05 2961 0.181E-02 0.260E-02 RMM: 9 -0.371613440581E+03 0.10287E-05 -0.12548E-05 2454 0.957E-03 852 T= 5999. E= 0.70364303E+03 F= 0.65401674E+03 E0= 0.68483258E+03 EK= 0.49626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372285235411E+03 -0.67179E+00 -0.16142E-01 8676 0.228E+01 0.201E-01 RMM: 2 -0.372299675265E+03 -0.14440E-01 -0.11017E-01 5258 0.704E-01 0.882E-01 RMM: 3 -0.372293888107E+03 0.57872E-02 -0.86542E-03 5782 0.184E-01 0.166E-01 RMM: 4 -0.372293707201E+03 0.18091E-03 -0.66279E-04 4692 0.558E-02 0.131E-01 RMM: 5 -0.372293593484E+03 0.11372E-03 -0.12302E-04 3883 0.279E-02 0.860E-02 RMM: 6 -0.372293566133E+03 0.27352E-04 -0.51717E-05 3245 0.202E-02 0.670E-02 RMM: 7 -0.372293591949E+03 -0.25816E-04 -0.62795E-05 3473 0.206E-02 0.103E-01 RMM: 8 -0.372293522070E+03 0.69878E-04 -0.40927E-05 3016 0.185E-02 0.275E-02 RMM: 9 -0.372293521134E+03 0.93677E-06 -0.14222E-05 2460 0.101E-02 853 T= 6039. E= 0.70319071E+03 F= 0.65323312E+03 E0= 0.68407518E+03 EK= 0.49958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373013014519E+03 -0.71949E+00 -0.16142E-01 8592 0.231E+01 0.202E-01 RMM: 2 -0.373027173831E+03 -0.14159E-01 -0.10405E-01 5350 0.684E-01 0.908E-01 RMM: 3 -0.373021219604E+03 0.59542E-02 -0.83253E-03 5819 0.175E-01 0.181E-01 RMM: 4 -0.373020970999E+03 0.24861E-03 -0.64554E-04 4646 0.559E-02 0.127E-01 RMM: 5 -0.373020861901E+03 0.10910E-03 -0.12873E-04 3880 0.292E-02 0.832E-02 RMM: 6 -0.373020843196E+03 0.18705E-04 -0.52140E-05 3266 0.202E-02 854 T= 6230. E= 0.70393602E+03 F= 0.65239795E+03 E0= 0.68326951E+03 EK= 0.51538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373742930466E+03 -0.72207E+00 -0.16634E-01 8532 0.235E+01 0.347E-01 RMM: 2 -0.373776396269E+03 -0.33466E-01 -0.11046E-01 5349 0.731E-01 0.197E+00 RMM: 3 -0.373750894346E+03 0.25502E-01 -0.14111E-02 5342 0.280E-01 0.342E-01 RMM: 4 -0.373750155521E+03 0.73882E-03 -0.15669E-03 4703 0.784E-02 0.129E-01 RMM: 5 -0.373750089807E+03 0.65715E-04 -0.24204E-04 3908 0.390E-02 0.136E-01 RMM: 6 -0.373749984713E+03 0.10509E-03 -0.11915E-04 3882 0.291E-02 0.872E-02 RMM: 7 -0.373750065812E+03 -0.81099E-04 -0.14736E-04 3910 0.322E-02 0.144E-01 RMM: 8 -0.373749939080E+03 0.12673E-03 -0.10756E-04 3861 0.261E-02 0.678E-02 RMM: 9 -0.373749913075E+03 0.26006E-04 -0.27071E-05 2816 0.148E-02 0.317E-02 RMM: 10 -0.373749916280E+03 -0.32050E-05 -0.16495E-05 2501 0.115E-02 855 T= 6511. E= 0.70542517E+03 F= 0.65155780E+03 E0= 0.68246159E+03 EK= 0.53867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374446391430E+03 -0.69648E+00 -0.17165E-01 8004 0.240E+01 0.367E-01 RMM: 2 -0.374479728390E+03 -0.33337E-01 -0.11485E-01 5294 0.762E-01 0.191E+00 RMM: 3 -0.374455058982E+03 0.24669E-01 -0.14581E-02 5360 0.280E-01 0.438E-01 RMM: 4 -0.374453800661E+03 0.12583E-02 -0.23194E-03 4804 0.106E-01 0.140E-01 RMM: 5 -0.374453843013E+03 -0.42351E-04 -0.35408E-04 4065 0.462E-02 0.182E-01 RMM: 6 -0.374453631283E+03 0.21173E-03 -0.11347E-04 3871 0.298E-02 0.484E-02 RMM: 7 -0.374453649255E+03 -0.17972E-04 -0.47744E-05 3181 0.187E-02 856 T= 6788. E= 0.70689933E+03 F= 0.65074027E+03 E0= 0.68167559E+03 EK= 0.56159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375114338935E+03 -0.66071E+00 -0.17272E-01 7920 0.242E+01 0.272E-01 RMM: 2 -0.375133973680E+03 -0.19635E-01 -0.10192E-01 5410 0.712E-01 0.136E+00 RMM: 3 -0.375121869473E+03 0.12104E-01 -0.95593E-03 5421 0.218E-01 0.231E-01 RMM: 4 -0.375121551888E+03 0.31759E-03 -0.94458E-04 4747 0.621E-02 0.128E-01 RMM: 5 -0.375121480735E+03 0.71154E-04 -0.19556E-04 3902 0.368E-02 0.126E-01 RMM: 6 -0.375121404836E+03 0.75899E-04 -0.11670E-04 3864 0.286E-02 0.807E-02 RMM: 7 -0.375121493476E+03 -0.88640E-04 -0.11697E-04 3883 0.276E-02 0.148E-01 RMM: 8 -0.375121353452E+03 0.14002E-03 -0.67289E-05 3498 0.230E-02 0.415E-02 RMM: 9 -0.375121346892E+03 0.65601E-05 -0.18306E-05 2538 0.120E-02 857 T= 6956. E= 0.70750105E+03 F= 0.64995571E+03 E0= 0.68091998E+03 EK= 0.57545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375740287346E+03 -0.61893E+00 -0.17708E-01 7824 0.243E+01 0.212E-01 RMM: 2 -0.375756459281E+03 -0.16172E-01 -0.11573E-01 5054 0.737E-01 0.992E-01 RMM: 3 -0.375749578874E+03 0.68804E-02 -0.10226E-02 5531 0.203E-01 0.166E-01 RMM: 4 -0.375749528692E+03 0.50182E-04 -0.91449E-04 4690 0.669E-02 0.189E-01 RMM: 5 -0.375749300144E+03 0.22855E-03 -0.20002E-04 3889 0.366E-02 0.852E-02 RMM: 6 -0.375749270858E+03 0.29286E-04 -0.64127E-05 3409 0.224E-02 0.621E-02 RMM: 7 -0.375749286911E+03 -0.16053E-04 -0.48714E-05 3169 0.197E-02 858 T= 6946. E= 0.70666518E+03 F= 0.64920671E+03 E0= 0.68019552E+03 EK= 0.57458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376324012746E+03 -0.57474E+00 -0.17923E-01 7920 0.241E+01 0.201E-01 RMM: 2 -0.376337678717E+03 -0.13666E-01 -0.10880E-01 5022 0.740E-01 0.824E-01 RMM: 3 -0.376332889064E+03 0.47897E-02 -0.99694E-03 5721 0.199E-01 0.179E-01 RMM: 4 -0.376332688146E+03 0.20092E-03 -0.69029E-04 4673 0.594E-02 0.145E-01 RMM: 5 -0.376332553108E+03 0.13504E-03 -0.17526E-04 3887 0.342E-02 0.100E-01 RMM: 6 -0.376332542930E+03 0.10178E-04 -0.10028E-04 3742 0.266E-02 859 T= 6763. E= 0.70444794E+03 F= 0.64849658E+03 E0= 0.67950319E+03 EK= 0.55951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376862455507E+03 -0.52990E+00 -0.17176E-01 8304 0.237E+01 0.371E-01 RMM: 2 -0.376898474420E+03 -0.36019E-01 -0.10187E-01 5063 0.737E-01 0.213E+00 RMM: 3 -0.376869649979E+03 0.28824E-01 -0.15880E-02 5343 0.304E-01 0.325E-01 RMM: 4 -0.376869000125E+03 0.64985E-03 -0.17633E-03 4710 0.844E-02 0.141E-01 RMM: 5 -0.376868984141E+03 0.15984E-04 -0.28787E-04 3984 0.430E-02 0.156E-01 RMM: 6 -0.376868844366E+03 0.13978E-03 -0.13479E-04 3882 0.317E-02 0.746E-02 RMM: 7 -0.376868900608E+03 -0.56243E-04 -0.98681E-05 3798 0.268E-02 0.120E-01 RMM: 8 -0.376868821663E+03 0.78945E-04 -0.51825E-05 3268 0.210E-02 0.599E-02 RMM: 9 -0.376868801663E+03 0.20000E-04 -0.19924E-05 2572 0.134E-02 860 T= 6487. E= 0.70148843E+03 F= 0.64782610E+03 E0= 0.67884259E+03 EK= 0.53662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377362556082E+03 -0.49373E+00 -0.16789E-01 8316 0.232E+01 0.379E-01 RMM: 2 -0.377401731173E+03 -0.39175E-01 -0.10417E-01 4930 0.738E-01 0.219E+00 RMM: 3 -0.377370030703E+03 0.31700E-01 -0.16724E-02 5348 0.314E-01 0.391E-01 RMM: 4 -0.377369051036E+03 0.97967E-03 -0.21206E-03 5083 0.966E-02 0.140E-01 RMM: 5 -0.377369124971E+03 -0.73935E-04 -0.33797E-04 4098 0.447E-02 0.193E-01 RMM: 6 -0.377368893349E+03 0.23162E-03 -0.12679E-04 3883 0.310E-02 0.493E-02 RMM: 7 -0.377368929669E+03 -0.36320E-04 -0.58883E-05 3368 0.200E-02 0.945E-02 RMM: 8 -0.377368879690E+03 0.49979E-04 -0.39628E-05 3012 0.195E-02 0.398E-02 RMM: 9 -0.377368871121E+03 0.85689E-05 -0.11349E-05 2464 0.990E-03 861 T= 6220. E= 0.69864133E+03 F= 0.64718351E+03 E0= 0.67820397E+03 EK= 0.51458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377852306214E+03 -0.48343E+00 -0.16253E-01 8352 0.229E+01 0.257E-01 RMM: 2 -0.377871526455E+03 -0.19220E-01 -0.88412E-02 5107 0.660E-01 0.135E+00 RMM: 3 -0.377858987089E+03 0.12539E-01 -0.90654E-03 5361 0.216E-01 0.219E-01 RMM: 4 -0.377858811465E+03 0.17562E-03 -0.10630E-03 4644 0.706E-02 0.171E-01 RMM: 5 -0.377858676043E+03 0.13542E-03 -0.21975E-04 3894 0.385E-02 0.128E-01 RMM: 6 -0.377858593701E+03 0.82341E-04 -0.93048E-05 3723 0.267E-02 0.708E-02 RMM: 7 -0.377858630754E+03 -0.37053E-04 -0.86761E-05 3755 0.251E-02 0.112E-01 RMM: 8 -0.377858553472E+03 0.77282E-04 -0.39514E-05 3101 0.193E-02 0.276E-02 RMM: 9 -0.377858554275E+03 -0.80242E-06 -0.12258E-05 2469 0.961E-03 862 T= 6052. E= 0.69660598E+03 F= 0.64654303E+03 E0= 0.67756221E+03 EK= 0.50063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378363694700E+03 -0.50514E+00 -0.15960E-01 8328 0.227E+01 0.226E-01 RMM: 2 -0.378375932007E+03 -0.12237E-01 -0.83882E-02 5137 0.637E-01 0.930E-01 RMM: 3 -0.378369988266E+03 0.59437E-02 -0.75519E-03 5582 0.186E-01 0.185E-01 RMM: 4 -0.378369929782E+03 0.58484E-04 -0.78522E-04 4632 0.631E-02 0.188E-01 RMM: 5 -0.378369749689E+03 0.18009E-03 -0.19173E-04 3884 0.352E-02 0.118E-01 RMM: 6 -0.378369676531E+03 0.73158E-04 -0.91640E-05 3705 0.268E-02 0.603E-02 RMM: 7 -0.378369720936E+03 -0.44405E-04 -0.59352E-05 3380 0.209E-02 0.109E-01 RMM: 8 -0.378369645521E+03 0.75415E-04 -0.34298E-05 2945 0.184E-02 0.270E-02 RMM: 9 -0.378369643375E+03 0.21454E-05 -0.10146E-05 2451 0.874E-03 863 T= 6030. E= 0.69575677E+03 F= 0.64587394E+03 E0= 0.67688784E+03 EK= 0.49883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378918917413E+03 -0.54927E+00 -0.16233E-01 8460 0.227E+01 0.200E-01 RMM: 2 -0.378930237344E+03 -0.11320E-01 -0.83126E-02 5167 0.618E-01 0.823E-01 RMM: 3 -0.378925197224E+03 0.50401E-02 -0.67380E-03 5596 0.170E-01 0.155E-01 RMM: 4 -0.378925216935E+03 -0.19711E-04 -0.71695E-04 4643 0.617E-02 0.196E-01 RMM: 5 -0.378924987206E+03 0.22973E-03 -0.20267E-04 3885 0.372E-02 0.961E-02 RMM: 6 -0.378924961721E+03 0.25485E-04 -0.84140E-05 3648 0.249E-02 0.812E-02 RMM: 7 -0.378924972169E+03 -0.10448E-04 -0.64047E-05 3464 0.217E-02 864 T= 6161. E= 0.69612386E+03 F= 0.64515514E+03 E0= 0.67616141E+03 EK= 0.50969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379517039739E+03 -0.59208E+00 -0.16981E-01 8316 0.230E+01 0.211E-01 RMM: 2 -0.379528042951E+03 -0.11003E-01 -0.86938E-02 5117 0.645E-01 0.787E-01 RMM: 3 -0.379523710171E+03 0.43328E-02 -0.74926E-03 5697 0.177E-01 0.174E-01 RMM: 4 -0.379523652340E+03 0.57831E-04 -0.70280E-04 4654 0.606E-02 0.190E-01 RMM: 5 -0.379523433584E+03 0.21876E-03 -0.22660E-04 3891 0.388E-02 0.105E-01 RMM: 6 -0.379523431879E+03 0.17055E-05 -0.13280E-04 3882 0.309E-02 865 T= 6408. E= 0.69739977E+03 F= 0.64438951E+03 E0= 0.67538640E+03 EK= 0.53010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380131093369E+03 -0.60766E+00 -0.17353E-01 8364 0.235E+01 0.381E-01 RMM: 2 -0.380171961118E+03 -0.40868E-01 -0.10073E-01 5119 0.726E-01 0.228E+00 RMM: 3 -0.380138112503E+03 0.33849E-01 -0.16582E-02 5337 0.313E-01 0.374E-01 RMM: 4 -0.380137242558E+03 0.86994E-03 -0.18914E-03 4774 0.883E-02 0.131E-01 RMM: 5 -0.380137253168E+03 -0.10610E-04 -0.32555E-04 4048 0.455E-02 0.171E-01 RMM: 6 -0.380137087916E+03 0.16525E-03 -0.16789E-04 3887 0.359E-02 0.767E-02 RMM: 7 -0.380137179075E+03 -0.91159E-04 -0.12006E-04 3850 0.289E-02 0.144E-01 RMM: 8 -0.380137056611E+03 0.12246E-03 -0.59614E-05 3413 0.228E-02 0.539E-02 RMM: 9 -0.380137041902E+03 0.14709E-04 -0.17072E-05 2529 0.121E-02 866 T= 6690. E= 0.69895158E+03 F= 0.64360613E+03 E0= 0.67459118E+03 EK= 0.55345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380711817109E+03 -0.57476E+00 -0.17863E-01 8280 0.238E+01 0.356E-01 RMM: 2 -0.380749564196E+03 -0.37747E-01 -0.99602E-02 5129 0.712E-01 0.219E+00 RMM: 3 -0.380718795964E+03 0.30768E-01 -0.14792E-02 5342 0.294E-01 0.337E-01 RMM: 4 -0.380718090704E+03 0.70526E-03 -0.19050E-03 4778 0.904E-02 0.146E-01 RMM: 5 -0.380718128152E+03 -0.37448E-04 -0.31594E-04 4059 0.453E-02 0.181E-01 RMM: 6 -0.380717921172E+03 0.20698E-03 -0.12923E-04 3879 0.316E-02 0.522E-02 RMM: 7 -0.380717971720E+03 -0.50548E-04 -0.78346E-05 3549 0.234E-02 0.107E-01 RMM: 8 -0.380717905236E+03 0.66484E-04 -0.39814E-05 3071 0.200E-02 0.392E-02 RMM: 9 -0.380717897058E+03 0.81777E-05 -0.10034E-05 2464 0.915E-03 867 T= 6902. E= 0.69994809E+03 F= 0.64285281E+03 E0= 0.67382527E+03 EK= 0.57095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381208422006E+03 -0.49052E+00 -0.17923E-01 7920 0.240E+01 0.286E-01 RMM: 2 -0.381233172627E+03 -0.24751E-01 -0.10548E-01 5062 0.728E-01 0.157E+00 RMM: 3 -0.381216430616E+03 0.16742E-01 -0.11867E-02 5370 0.246E-01 0.250E-01 RMM: 4 -0.381216118690E+03 0.31193E-03 -0.13122E-03 4727 0.744E-02 0.154E-01 RMM: 5 -0.381216038315E+03 0.80374E-04 -0.29448E-04 4069 0.463E-02 0.146E-01 RMM: 6 -0.381215936561E+03 0.10175E-03 -0.14225E-04 3880 0.320E-02 0.853E-02 RMM: 7 -0.381215995582E+03 -0.59021E-04 -0.11642E-04 3854 0.288E-02 0.131E-01 RMM: 8 -0.381215889772E+03 0.10581E-03 -0.57690E-05 3387 0.225E-02 0.436E-02 RMM: 9 -0.381215881742E+03 0.80305E-05 -0.13795E-05 2495 0.107E-02 868 T= 6953. E= 0.69969427E+03 F= 0.64217839E+03 E0= 0.67313610E+03 EK= 0.57516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381593315576E+03 -0.37743E+00 -0.17498E-01 7884 0.239E+01 0.230E-01 RMM: 2 -0.381606923065E+03 -0.13607E-01 -0.93541E-02 5116 0.675E-01 0.980E-01 RMM: 3 -0.381600284504E+03 0.66386E-02 -0.84316E-03 5465 0.196E-01 0.169E-01 RMM: 4 -0.381600314588E+03 -0.30084E-04 -0.85807E-04 4673 0.652E-02 0.211E-01 RMM: 5 -0.381600078148E+03 0.23644E-03 -0.24870E-04 3941 0.419E-02 0.122E-01 RMM: 6 -0.381600015639E+03 0.62508E-04 -0.12407E-04 3864 0.305E-02 0.771E-02 RMM: 7 -0.381600055563E+03 -0.39924E-04 -0.69050E-05 3527 0.231E-02 0.115E-01 RMM: 8 -0.381599972441E+03 0.83122E-04 -0.36051E-05 3024 0.187E-02 0.306E-02 RMM: 9 -0.381599969578E+03 0.28633E-05 -0.11005E-05 2463 0.936E-03 869 T= 6819. E= 0.69802504E+03 F= 0.64161176E+03 E0= 0.67255340E+03 EK= 0.56413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381859331926E+03 -0.25936E+00 -0.16414E-01 7932 0.234E+01 0.215E-01 RMM: 2 -0.381871030172E+03 -0.11698E-01 -0.86024E-02 5128 0.636E-01 0.835E-01 RMM: 3 -0.381865741706E+03 0.52885E-02 -0.70824E-03 5493 0.180E-01 0.175E-01 RMM: 4 -0.381865804894E+03 -0.63188E-04 -0.85352E-04 4648 0.678E-02 0.225E-01 RMM: 5 -0.381865532328E+03 0.27257E-03 -0.28010E-04 4039 0.448E-02 0.118E-01 RMM: 6 -0.381865478002E+03 0.54326E-04 -0.10277E-04 3761 0.276E-02 0.788E-02 RMM: 7 -0.381865489539E+03 -0.11537E-04 -0.63881E-05 3458 0.226E-02 870 T= 6559. E= 0.69541682E+03 F= 0.64115540E+03 E0= 0.67207941E+03 EK= 0.54261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382023234497E+03 -0.15776E+00 -0.16042E-01 7920 0.229E+01 0.243E-01 RMM: 2 -0.382033594727E+03 -0.10360E-01 -0.86263E-02 5054 0.645E-01 0.742E-01 RMM: 3 -0.382029529630E+03 0.40651E-02 -0.75453E-03 5567 0.181E-01 0.189E-01 RMM: 4 -0.382029776264E+03 -0.24663E-03 -0.98393E-04 4650 0.759E-02 0.295E-01 RMM: 5 -0.382029267304E+03 0.50896E-03 -0.37713E-04 4298 0.502E-02 0.128E-01 RMM: 6 -0.382029220155E+03 0.47150E-04 -0.14648E-04 3881 0.320E-02 0.985E-02 RMM: 7 -0.382029237284E+03 -0.17129E-04 -0.83191E-05 3692 0.255E-02 871 T= 6275. E= 0.69270134E+03 F= 0.64079103E+03 E0= 0.67169681E+03 EK= 0.51910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382111940718E+03 -0.82721E-01 -0.15239E-01 8088 0.225E+01 0.234E-01 RMM: 2 -0.382121918823E+03 -0.99781E-02 -0.81435E-02 5088 0.626E-01 0.739E-01 RMM: 3 -0.382117812237E+03 0.41066E-02 -0.70219E-03 5521 0.177E-01 0.187E-01 RMM: 4 -0.382117898874E+03 -0.86637E-04 -0.83163E-04 4643 0.685E-02 0.245E-01 RMM: 5 -0.382117570765E+03 0.32811E-03 -0.32177E-04 4180 0.474E-02 0.131E-01 RMM: 6 -0.382117498750E+03 0.72016E-04 -0.13882E-04 3877 0.318E-02 0.820E-02 RMM: 7 -0.382117547064E+03 -0.48315E-04 -0.71964E-05 3538 0.236E-02 0.123E-01 RMM: 8 -0.382117453680E+03 0.93384E-04 -0.36398E-05 3069 0.189E-02 0.332E-02 RMM: 9 -0.382117449245E+03 0.44353E-05 -0.10432E-05 2466 0.900E-03 872 T= 6064. E= 0.69065890E+03 F= 0.64049227E+03 E0= 0.67138003E+03 EK= 0.50167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382149160264E+03 -0.31707E-01 -0.14325E-01 8076 0.222E+01 0.225E-01 RMM: 2 -0.382159677793E+03 -0.10518E-01 -0.75537E-02 5105 0.599E-01 0.836E-01 RMM: 3 -0.382154635545E+03 0.50422E-02 -0.68256E-03 5501 0.177E-01 0.155E-01 RMM: 4 -0.382154876531E+03 -0.24099E-03 -0.83793E-04 4633 0.673E-02 0.266E-01 RMM: 5 -0.382154480104E+03 0.39643E-03 -0.28812E-04 4053 0.451E-02 0.121E-01 RMM: 6 -0.382154413216E+03 0.66888E-04 -0.13421E-04 3865 0.313E-02 0.703E-02 RMM: 7 -0.382154437812E+03 -0.24596E-04 -0.53663E-05 3315 0.211E-02 0.977E-02 RMM: 8 -0.382154379486E+03 0.58326E-04 -0.24280E-05 2721 0.161E-02 0.265E-02 RMM: 9 -0.382154376244E+03 0.32418E-05 -0.63807E-06 2440 0.700E-03 873 T= 5989. E= 0.68978207E+03 F= 0.64023624E+03 E0= 0.67110543E+03 EK= 0.49546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382151951878E+03 0.24276E-02 -0.14049E-01 7860 0.222E+01 0.233E-01 RMM: 2 -0.382161440160E+03 -0.94883E-02 -0.78416E-02 5114 0.613E-01 0.718E-01 RMM: 3 -0.382157726724E+03 0.37134E-02 -0.72223E-03 5679 0.171E-01 0.178E-01 RMM: 4 -0.382157826383E+03 -0.99660E-04 -0.83854E-04 4632 0.693E-02 0.253E-01 RMM: 5 -0.382157425243E+03 0.40114E-03 -0.38619E-04 4394 0.523E-02 0.108E-01 RMM: 6 -0.382157443593E+03 -0.18350E-04 -0.16334E-04 3883 0.328E-02 874 T= 6070. E= 0.69022532E+03 F= 0.64000804E+03 E0= 0.67085938E+03 EK= 0.50217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382125227467E+03 0.32198E-01 -0.14116E-01 8124 0.225E+01 0.348E-01 RMM: 2 -0.382154559246E+03 -0.29332E-01 -0.78867E-02 5190 0.651E-01 0.192E+00 RMM: 3 -0.382130568488E+03 0.23991E-01 -0.11934E-02 5346 0.263E-01 0.347E-01 RMM: 4 -0.382129907562E+03 0.66093E-03 -0.15977E-03 4660 0.857E-02 0.175E-01 RMM: 5 -0.382129899101E+03 0.84611E-05 -0.61781E-04 4601 0.664E-02 0.211E-01 RMM: 6 -0.382129675278E+03 0.22382E-03 -0.30834E-04 3971 0.466E-02 0.106E-01 RMM: 7 -0.382129772867E+03 -0.97588E-04 -0.16139E-04 3879 0.352E-02 0.165E-01 RMM: 8 -0.382129604116E+03 0.16875E-03 -0.92816E-05 3738 0.282E-02 0.534E-02 RMM: 9 -0.382129593393E+03 0.10723E-04 -0.20347E-05 2609 0.131E-02 875 T= 6286. E= 0.69181155E+03 F= 0.63980756E+03 E0= 0.67063874E+03 EK= 0.52004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382054298930E+03 0.75305E-01 -0.14636E-01 8184 0.230E+01 0.336E-01 RMM: 2 -0.382088123412E+03 -0.33824E-01 -0.81016E-02 5155 0.645E-01 0.209E+00 RMM: 3 -0.382059795666E+03 0.28328E-01 -0.12195E-02 5336 0.265E-01 0.316E-01 RMM: 4 -0.382059221748E+03 0.57392E-03 -0.17211E-03 4715 0.898E-02 0.155E-01 RMM: 5 -0.382059233447E+03 -0.11699E-04 -0.33718E-04 4239 0.483E-02 0.182E-01 RMM: 6 -0.382059025172E+03 0.20827E-03 -0.12923E-04 3868 0.309E-02 0.508E-02 RMM: 7 -0.382059076639E+03 -0.51467E-04 -0.71637E-05 3504 0.225E-02 0.107E-01 RMM: 8 -0.382059006316E+03 0.70323E-04 -0.37357E-05 3051 0.196E-02 0.279E-02 RMM: 9 -0.382059002312E+03 0.40044E-05 -0.73366E-06 2449 0.775E-03 876 T= 6573. E= 0.69402629E+03 F= 0.63964870E+03 E0= 0.67046052E+03 EK= 0.54378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381919157742E+03 0.13985E+00 -0.15359E-01 8148 0.235E+01 0.266E-01 RMM: 2 -0.381935645329E+03 -0.16488E-01 -0.80994E-02 5188 0.646E-01 0.126E+00 RMM: 3 -0.381925089804E+03 0.10556E-01 -0.84486E-03 5393 0.203E-01 0.241E-01 RMM: 4 -0.381924846399E+03 0.24341E-03 -0.10272E-03 4647 0.707E-02 0.179E-01 RMM: 5 -0.381924699451E+03 0.14695E-03 -0.45864E-04 4568 0.590E-02 0.155E-01 RMM: 6 -0.381924623403E+03 0.76048E-04 -0.21006E-04 3884 0.372E-02 0.116E-01 RMM: 7 -0.381924619357E+03 0.40461E-05 -0.11212E-04 3876 0.308E-02 877 T= 6832. E= 0.69607496E+03 F= 0.63955316E+03 E0= 0.67034375E+03 EK= 0.56522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381701372763E+03 0.22325E+00 -0.16010E-01 7944 0.238E+01 0.269E-01 RMM: 2 -0.381711809741E+03 -0.10437E-01 -0.82350E-02 5186 0.646E-01 0.821E-01 RMM: 3 -0.381707205317E+03 0.46044E-02 -0.76738E-03 5588 0.184E-01 0.211E-01 RMM: 4 -0.381707307452E+03 -0.10213E-03 -0.95725E-04 4639 0.731E-02 0.279E-01 RMM: 5 -0.381706886122E+03 0.42133E-03 -0.46703E-04 4537 0.568E-02 0.151E-01 RMM: 6 -0.381706808553E+03 0.77570E-04 -0.21947E-04 3914 0.378E-02 0.113E-01 RMM: 7 -0.381706842238E+03 -0.33686E-04 -0.12279E-04 3880 0.312E-02 0.140E-01 RMM: 8 -0.381706721355E+03 0.12088E-03 -0.54463E-05 3367 0.219E-02 0.439E-02 RMM: 9 -0.381706715197E+03 0.61576E-05 -0.15723E-05 2508 0.111E-02 878 T= 6961. E= 0.69712845E+03 F= 0.63953957E+03 E0= 0.67031103E+03 EK= 0.57589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381393264294E+03 0.31346E+00 -0.16816E-01 7860 0.239E+01 0.234E-01 RMM: 2 -0.381406191092E+03 -0.12927E-01 -0.87319E-02 5085 0.654E-01 0.965E-01 RMM: 3 -0.381399755586E+03 0.64355E-02 -0.81722E-03 5468 0.194E-01 0.165E-01 RMM: 4 -0.381399851854E+03 -0.96269E-04 -0.91126E-04 4656 0.681E-02 0.230E-01 RMM: 5 -0.381399569352E+03 0.28250E-03 -0.28326E-04 4002 0.453E-02 0.122E-01 RMM: 6 -0.381399495337E+03 0.74015E-04 -0.11514E-04 3804 0.290E-02 0.660E-02 RMM: 7 -0.381399530989E+03 -0.35652E-04 -0.52559E-05 3280 0.204E-02 0.103E-01 RMM: 8 -0.381399465291E+03 0.65698E-04 -0.29160E-05 2851 0.175E-02 0.256E-02 RMM: 9 -0.381399462496E+03 0.27956E-05 -0.69967E-06 2441 0.740E-03 879 T= 6905. E= 0.69673181E+03 F= 0.63961139E+03 E0= 0.67036419E+03 EK= 0.57120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381004707926E+03 0.39476E+00 -0.17383E-01 8040 0.237E+01 0.281E-01 RMM: 2 -0.381016446503E+03 -0.11739E-01 -0.94041E-02 5042 0.689E-01 0.848E-01 RMM: 3 -0.381011498401E+03 0.49481E-02 -0.90161E-03 5577 0.196E-01 0.207E-01 RMM: 4 -0.381011838249E+03 -0.33985E-03 -0.12272E-03 4672 0.836E-02 0.339E-01 RMM: 5 -0.381011199508E+03 0.63874E-03 -0.46797E-04 4503 0.559E-02 0.156E-01 RMM: 6 -0.381011067239E+03 0.13227E-03 -0.15760E-04 3879 0.320E-02 0.773E-02 RMM: 7 -0.381011101333E+03 -0.34095E-04 -0.89649E-05 3739 0.260E-02 0.113E-01 RMM: 8 -0.381011021935E+03 0.79399E-04 -0.37866E-05 3094 0.189E-02 0.350E-02 RMM: 9 -0.381011017893E+03 0.40416E-05 -0.11668E-05 2470 0.940E-03 880 T= 6688. E= 0.69508392E+03 F= 0.63975761E+03 E0= 0.67049508E+03 EK= 0.55326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380558649916E+03 0.45237E+00 -0.16852E-01 7812 0.234E+01 0.300E-01 RMM: 2 -0.380572533521E+03 -0.13884E-01 -0.90096E-02 5097 0.686E-01 0.108E+00 RMM: 3 -0.380564851476E+03 0.76820E-02 -0.89223E-03 5479 0.204E-01 0.230E-01 RMM: 4 -0.380565019258E+03 -0.16778E-03 -0.13465E-03 4688 0.861E-02 0.305E-01 RMM: 5 -0.380564540201E+03 0.47906E-03 -0.42289E-04 4399 0.520E-02 0.168E-01 RMM: 6 -0.380564381885E+03 0.15832E-03 -0.15039E-04 3897 0.323E-02 0.721E-02 RMM: 7 -0.380564425221E+03 -0.43336E-04 -0.83889E-05 3667 0.243E-02 0.111E-01 RMM: 8 -0.380564345330E+03 0.79891E-04 -0.42769E-05 3136 0.200E-02 0.391E-02 RMM: 9 -0.380564337288E+03 0.80420E-05 -0.11264E-05 2474 0.975E-03 881 T= 6401. E= 0.69290582E+03 F= 0.63995303E+03 E0= 0.67068010E+03 EK= 0.52953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380080017042E+03 0.48433E+00 -0.16537E-01 7836 0.231E+01 0.294E-01 RMM: 2 -0.380092124837E+03 -0.12108E-01 -0.89257E-02 5060 0.677E-01 0.923E-01 RMM: 3 -0.380086246063E+03 0.58788E-02 -0.81779E-03 5503 0.189E-01 0.209E-01 RMM: 4 -0.380086773899E+03 -0.52784E-03 -0.14356E-03 4714 0.917E-02 0.374E-01 RMM: 5 -0.380085949183E+03 0.82472E-03 -0.51735E-04 4481 0.582E-02 0.143E-01 RMM: 6 -0.380085839089E+03 0.11009E-03 -0.13124E-04 3891 0.295E-02 0.715E-02 RMM: 7 -0.380085889575E+03 -0.50486E-04 -0.83934E-05 3659 0.242E-02 0.119E-01 RMM: 8 -0.380085798983E+03 0.90592E-04 -0.45990E-05 3195 0.207E-02 0.352E-02 RMM: 9 -0.380085795373E+03 0.36102E-05 -0.12569E-05 2480 0.100E-02 882 T= 6149. E= 0.69104268E+03 F= 0.64017055E+03 E0= 0.67089361E+03 EK= 0.50872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379590011691E+03 0.49579E+00 -0.15845E-01 7944 0.228E+01 0.318E-01 RMM: 2 -0.379604218540E+03 -0.14207E-01 -0.81613E-02 5117 0.658E-01 0.117E+00 RMM: 3 -0.379595326541E+03 0.88920E-02 -0.85705E-03 5409 0.206E-01 0.254E-01 RMM: 4 -0.379595490806E+03 -0.16426E-03 -0.15474E-03 4719 0.924E-02 0.316E-01 RMM: 5 -0.379595014599E+03 0.47621E-03 -0.45159E-04 4415 0.537E-02 0.194E-01 RMM: 6 -0.379594791940E+03 0.22266E-03 -0.15959E-04 3889 0.332E-02 0.657E-02 RMM: 7 -0.379594841969E+03 -0.50029E-04 -0.86938E-05 3684 0.247E-02 0.111E-01 RMM: 8 -0.379594761739E+03 0.80230E-04 -0.40701E-05 3121 0.197E-02 0.388E-02 RMM: 9 -0.379594754514E+03 0.72251E-05 -0.12362E-05 2476 0.102E-02 883 T= 6012. E= 0.69013140E+03 F= 0.64039196E+03 E0= 0.67111807E+03 EK= 0.49739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379087763153E+03 0.50700E+00 -0.15879E-01 7992 0.228E+01 0.305E-01 RMM: 2 -0.379100881730E+03 -0.13119E-01 -0.78806E-02 5109 0.643E-01 0.109E+00 RMM: 3 -0.379093017895E+03 0.78638E-02 -0.78912E-03 5413 0.193E-01 0.240E-01 RMM: 4 -0.379093235175E+03 -0.21728E-03 -0.14547E-03 4694 0.908E-02 0.322E-01 RMM: 5 -0.379092699841E+03 0.53533E-03 -0.48479E-04 4484 0.566E-02 0.173E-01 RMM: 6 -0.379092525918E+03 0.17392E-03 -0.14999E-04 3890 0.320E-02 0.708E-02 RMM: 7 -0.379092586751E+03 -0.60832E-04 -0.97094E-05 3724 0.259E-02 0.124E-01 RMM: 8 -0.379092489355E+03 0.97395E-04 -0.48828E-05 3267 0.214E-02 0.382E-02 RMM: 9 -0.379092483390E+03 0.59649E-05 -0.11470E-05 2478 0.966E-03 884 T= 6027. E= 0.69048133E+03 F= 0.64061877E+03 E0= 0.67135483E+03 EK= 0.49863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378554051441E+03 0.53844E+00 -0.16485E-01 8112 0.231E+01 0.296E-01 RMM: 2 -0.378567783366E+03 -0.13732E-01 -0.82064E-02 5103 0.649E-01 0.111E+00 RMM: 3 -0.378559626733E+03 0.81566E-02 -0.81889E-03 5394 0.199E-01 0.239E-01 RMM: 4 -0.378559717433E+03 -0.90700E-04 -0.13652E-03 4701 0.867E-02 0.284E-01 RMM: 5 -0.378559361910E+03 0.35552E-03 -0.44380E-04 4410 0.539E-02 0.195E-01 RMM: 6 -0.378559148920E+03 0.21299E-03 -0.18496E-04 3896 0.356E-02 0.764E-02 RMM: 7 -0.378559215543E+03 -0.66623E-04 -0.10219E-04 3790 0.270E-02 0.129E-01 RMM: 8 -0.378559107511E+03 0.10803E-03 -0.50390E-05 3301 0.215E-02 0.358E-02 RMM: 9 -0.378559102225E+03 0.52860E-05 -0.11664E-05 2479 0.980E-03 885 T= 6188. E= 0.69206745E+03 F= 0.64087437E+03 E0= 0.67162615E+03 EK= 0.51193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377945493953E+03 0.61361E+00 -0.17569E-01 8352 0.235E+01 0.287E-01 RMM: 2 -0.377960881091E+03 -0.15387E-01 -0.87962E-02 5140 0.668E-01 0.115E+00 RMM: 3 -0.377951714712E+03 0.91664E-02 -0.83081E-03 5407 0.198E-01 0.244E-01 RMM: 4 -0.377951622711E+03 0.92001E-04 -0.13061E-03 4674 0.845E-02 0.245E-01 RMM: 5 -0.377951364343E+03 0.25837E-03 -0.47657E-04 4552 0.583E-02 0.177E-01 RMM: 6 -0.377951201632E+03 0.16271E-03 -0.17107E-04 3891 0.337E-02 0.875E-02 RMM: 7 -0.377951260757E+03 -0.59125E-04 -0.11680E-04 3852 0.290E-02 0.133E-01 RMM: 8 -0.377951148523E+03 0.11223E-03 -0.55774E-05 3366 0.224E-02 0.366E-02 RMM: 9 -0.377951143421E+03 0.51010E-05 -0.10391E-05 2478 0.909E-03 886 T= 6446. E= 0.69453294E+03 F= 0.64120528E+03 E0= 0.67197629E+03 EK= 0.53328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377203532884E+03 0.74762E+00 -0.19349E-01 8412 0.240E+01 0.280E-01 RMM: 2 -0.377219161290E+03 -0.15628E-01 -0.10659E-01 5096 0.728E-01 0.106E+00 RMM: 3 -0.377211444102E+03 0.77172E-02 -0.99483E-03 5450 0.215E-01 0.242E-01 RMM: 4 -0.377211302822E+03 0.14128E-03 -0.11879E-03 4691 0.782E-02 0.223E-01 RMM: 5 -0.377211071767E+03 0.23105E-03 -0.45342E-04 4509 0.566E-02 0.173E-01 RMM: 6 -0.377210945282E+03 0.12648E-03 -0.20984E-04 3888 0.376E-02 0.106E-01 RMM: 7 -0.377211015040E+03 -0.69758E-04 -0.12486E-04 3875 0.303E-02 0.150E-01 RMM: 8 -0.377210869220E+03 0.14582E-03 -0.65398E-05 3461 0.236E-02 0.366E-02 RMM: 9 -0.377210864565E+03 0.46543E-05 -0.13725E-05 2489 0.105E-02 887 T= 6714. E= 0.69721039E+03 F= 0.64167074E+03 E0= 0.67246151E+03 EK= 0.55540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376275923469E+03 0.93495E+00 -0.21432E-01 8832 0.243E+01 0.278E-01 RMM: 2 -0.376293748423E+03 -0.17825E-01 -0.11319E-01 5259 0.732E-01 0.115E+00 RMM: 3 -0.376284328647E+03 0.94198E-02 -0.92140E-03 5383 0.211E-01 0.254E-01 RMM: 4 -0.376284132099E+03 0.19655E-03 -0.13182E-03 4694 0.823E-02 0.217E-01 RMM: 5 -0.376283902928E+03 0.22917E-03 -0.49330E-04 4579 0.603E-02 0.164E-01 RMM: 6 -0.376283799874E+03 0.10305E-03 -0.18858E-04 3887 0.350E-02 0.110E-01 RMM: 7 -0.376283840664E+03 -0.40790E-04 -0.12564E-04 3878 0.305E-02 0.139E-01 RMM: 8 -0.376283718033E+03 0.12263E-03 -0.59061E-05 3397 0.225E-02 0.383E-02 RMM: 9 -0.376283713083E+03 0.49504E-05 -0.11588E-05 2487 0.949E-03 888 T= 6886. E= 0.69928938E+03 F= 0.64232489E+03 E0= 0.67313212E+03 EK= 0.56964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375135562734E+03 0.11482E+01 -0.22956E-01 8832 0.243E+01 0.299E-01 RMM: 2 -0.375154358627E+03 -0.18796E-01 -0.13494E-01 5161 0.795E-01 0.109E+00 RMM: 3 -0.375145696955E+03 0.86617E-02 -0.11451E-02 5458 0.230E-01 0.255E-01 RMM: 4 -0.375145558646E+03 0.13831E-03 -0.13499E-03 4734 0.828E-02 0.246E-01 RMM: 5 -0.375145253231E+03 0.30541E-03 -0.50755E-04 4596 0.598E-02 0.170E-01 RMM: 6 -0.375145141781E+03 0.11145E-03 -0.23084E-04 3888 0.391E-02 0.111E-01 RMM: 7 -0.375145221016E+03 -0.79235E-04 -0.12210E-04 3874 0.298E-02 0.160E-01 RMM: 8 -0.375145059225E+03 0.16179E-03 -0.68327E-05 3480 0.238E-02 0.401E-02 RMM: 9 -0.375145053657E+03 0.55678E-05 -0.14689E-05 2499 0.107E-02 889 T= 6888. E= 0.70017596E+03 F= 0.64319029E+03 E0= 0.67400759E+03 EK= 0.56986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373813460121E+03 0.13316E+01 -0.23652E-01 8856 0.240E+01 0.316E-01 RMM: 2 -0.373835152324E+03 -0.21692E-01 -0.14309E-01 5174 0.800E-01 0.122E+00 RMM: 3 -0.373823913600E+03 0.11239E-01 -0.11574E-02 5407 0.234E-01 0.250E-01 RMM: 4 -0.373823979431E+03 -0.65831E-04 -0.16969E-03 4852 0.947E-02 0.299E-01 RMM: 5 -0.373823591003E+03 0.38843E-03 -0.52745E-04 4584 0.601E-02 0.203E-01 RMM: 6 -0.373823360521E+03 0.23048E-03 -0.20406E-04 3889 0.365E-02 0.862E-02 RMM: 7 -0.373823440443E+03 -0.79922E-04 -0.13657E-04 3882 0.308E-02 0.145E-01 RMM: 8 -0.373823308091E+03 0.13235E-03 -0.69087E-05 3474 0.243E-02 0.354E-02 RMM: 9 -0.373823306410E+03 0.16810E-05 -0.13198E-05 2501 0.102E-02 890 T= 6721. E= 0.69983759E+03 F= 0.64423573E+03 E0= 0.67505466E+03 EK= 0.55602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372390199976E+03 0.14331E+01 -0.23910E-01 8916 0.235E+01 0.330E-01 RMM: 2 -0.372410026787E+03 -0.19827E-01 -0.14645E-01 5170 0.801E-01 0.110E+00 RMM: 3 -0.372400677786E+03 0.93490E-02 -0.11459E-02 5433 0.235E-01 0.270E-01 RMM: 4 -0.372400912801E+03 -0.23501E-03 -0.17213E-03 4877 0.961E-02 0.348E-01 RMM: 5 -0.372400241416E+03 0.67138E-03 -0.53385E-04 4552 0.587E-02 0.178E-01 RMM: 6 -0.372400080787E+03 0.16063E-03 -0.19781E-04 3889 0.363E-02 0.877E-02 RMM: 7 -0.372400156463E+03 -0.75676E-04 -0.10615E-04 3833 0.271E-02 0.142E-01 RMM: 8 -0.372400028926E+03 0.12754E-03 -0.58345E-05 3388 0.224E-02 0.392E-02 RMM: 9 -0.372400024095E+03 0.48309E-05 -0.14454E-05 2498 0.107E-02 891 T= 6460. E= 0.69881610E+03 F= 0.64537730E+03 E0= 0.67618975E+03 EK= 0.53439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370979562357E+03 0.14205E+01 -0.23980E-01 8796 0.228E+01 0.365E-01 RMM: 2 -0.371005031542E+03 -0.25469E-01 -0.14839E-01 5232 0.804E-01 0.145E+00 RMM: 3 -0.370989780799E+03 0.15251E-01 -0.12368E-02 5375 0.251E-01 0.268E-01 RMM: 4 -0.370990281217E+03 -0.50042E-03 -0.22192E-03 5118 0.109E-01 0.401E-01 RMM: 5 -0.370989469907E+03 0.81131E-03 -0.63401E-04 4587 0.651E-02 0.218E-01 RMM: 6 -0.370989179018E+03 0.29089E-03 -0.21403E-04 3891 0.377E-02 0.701E-02 RMM: 7 -0.370989262150E+03 -0.83132E-04 -0.11986E-04 3861 0.283E-02 0.138E-01 RMM: 8 -0.370989146574E+03 0.11558E-03 -0.59764E-05 3406 0.227E-02 0.437E-02 RMM: 9 -0.370989139158E+03 0.74160E-05 -0.13960E-05 2501 0.106E-02 892 T= 6213. E= 0.69789442E+03 F= 0.64650022E+03 E0= 0.67730019E+03 EK= 0.51394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369697947787E+03 0.12912E+01 -0.24251E-01 8760 0.223E+01 0.346E-01 RMM: 2 -0.369717826999E+03 -0.19879E-01 -0.14699E-01 5355 0.792E-01 0.110E+00 RMM: 3 -0.369708244009E+03 0.95830E-02 -0.10878E-02 5392 0.237E-01 0.285E-01 RMM: 4 -0.369708842796E+03 -0.59879E-03 -0.19448E-03 5031 0.103E-01 0.425E-01 RMM: 5 -0.369707805297E+03 0.10375E-02 -0.59867E-04 4581 0.630E-02 0.180E-01 RMM: 6 -0.369707623196E+03 0.18210E-03 -0.18833E-04 3888 0.354E-02 0.756E-02 RMM: 7 -0.369707690855E+03 -0.67659E-04 -0.90233E-05 3717 0.249E-02 0.131E-01 RMM: 8 -0.369707581217E+03 0.10964E-03 -0.50302E-05 3270 0.211E-02 0.351E-02 RMM: 9 -0.369707579837E+03 0.13795E-05 -0.15887E-05 2498 0.113E-02 893 T= 6073. E= 0.69772804E+03 F= 0.64748863E+03 E0= 0.67827314E+03 EK= 0.50239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368644461906E+03 0.10631E+01 -0.24230E-01 8652 0.221E+01 0.351E-01 RMM: 2 -0.368667425309E+03 -0.22963E-01 -0.14448E-01 5364 0.784E-01 0.132E+00 RMM: 3 -0.368654357539E+03 0.13068E-01 -0.11239E-02 5378 0.239E-01 0.254E-01 RMM: 4 -0.368654960221E+03 -0.60268E-03 -0.20685E-03 5079 0.106E-01 0.414E-01 RMM: 5 -0.368654058966E+03 0.90125E-03 -0.62668E-04 4581 0.654E-02 0.200E-01 RMM: 6 -0.368653814307E+03 0.24466E-03 -0.17786E-04 3880 0.342E-02 0.650E-02 RMM: 7 -0.368653876746E+03 -0.62439E-04 -0.94496E-05 3752 0.256E-02 0.122E-01 RMM: 8 -0.368653783558E+03 0.93188E-04 -0.45934E-05 3215 0.205E-02 0.363E-02 RMM: 9 -0.368653780818E+03 0.27404E-05 -0.12646E-05 2489 0.990E-03 894 T= 6094. E= 0.69865823E+03 F= 0.64824678E+03 E0= 0.67901514E+03 EK= 0.50411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367887165089E+03 0.76662E+00 -0.24380E-01 8664 0.222E+01 0.310E-01 RMM: 2 -0.367904060785E+03 -0.16896E-01 -0.14374E-01 5519 0.772E-01 0.880E-01 RMM: 3 -0.367897367990E+03 0.66928E-02 -0.93685E-03 5377 0.217E-01 0.245E-01 RMM: 4 -0.367897968779E+03 -0.60079E-03 -0.15609E-03 4879 0.931E-02 0.399E-01 RMM: 5 -0.367897009582E+03 0.95920E-03 -0.53318E-04 4540 0.593E-02 0.153E-01 RMM: 6 -0.367896901189E+03 0.10839E-03 -0.17525E-04 3880 0.339E-02 0.908E-02 RMM: 7 -0.367896948111E+03 -0.46922E-04 -0.91251E-05 3774 0.260E-02 0.127E-01 RMM: 8 -0.367896843960E+03 0.10415E-03 -0.45459E-05 3212 0.202E-02 0.339E-02 RMM: 9 -0.367896843152E+03 0.80759E-06 -0.13965E-05 2494 0.104E-02 895 T= 6280. E= 0.70066066E+03 F= 0.64870884E+03 E0= 0.67946188E+03 EK= 0.51952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367462887138E+03 0.43396E+00 -0.24180E-01 8748 0.226E+01 0.308E-01 RMM: 2 -0.367483030368E+03 -0.20143E-01 -0.14288E-01 5571 0.771E-01 0.113E+00 RMM: 3 -0.367473124388E+03 0.99060E-02 -0.92962E-03 5374 0.215E-01 0.240E-01 RMM: 4 -0.367473468260E+03 -0.34387E-03 -0.16213E-03 4849 0.939E-02 0.351E-01 RMM: 5 -0.367472817424E+03 0.65084E-03 -0.56633E-04 4587 0.626E-02 0.176E-01 RMM: 6 -0.367472651309E+03 0.16612E-03 -0.17452E-04 3880 0.335E-02 0.833E-02 RMM: 7 -0.367472699283E+03 -0.47975E-04 -0.10001E-04 3835 0.271E-02 0.123E-01 RMM: 8 -0.367472603259E+03 0.96024E-04 -0.46464E-05 3225 0.205E-02 0.358E-02 RMM: 9 -0.367472601434E+03 0.18252E-05 -0.12116E-05 2488 0.968E-03 896 T= 6584. E= 0.70331124E+03 F= 0.64884143E+03 E0= 0.67957984E+03 EK= 0.54470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367372502434E+03 0.10010E+00 -0.24309E-01 8868 0.232E+01 0.295E-01 RMM: 2 -0.367391433673E+03 -0.18931E-01 -0.15192E-01 5533 0.814E-01 0.967E-01 RMM: 3 -0.367383792319E+03 0.76414E-02 -0.10122E-02 5404 0.222E-01 0.244E-01 RMM: 4 -0.367383982249E+03 -0.18993E-03 -0.14176E-03 4845 0.869E-02 0.312E-01 RMM: 5 -0.367383441001E+03 0.54125E-03 -0.47429E-04 4498 0.562E-02 0.165E-01 RMM: 6 -0.367383329985E+03 0.11102E-03 -0.20139E-04 3886 0.366E-02 0.107E-01 RMM: 7 -0.367383376418E+03 -0.46433E-04 -0.11504E-04 3868 0.293E-02 0.138E-01 RMM: 8 -0.367383253060E+03 0.12336E-03 -0.58243E-05 3380 0.225E-02 0.361E-02 RMM: 9 -0.367383251817E+03 0.12438E-05 -0.15021E-05 2505 0.110E-02 897 T= 6907. E= 0.70578158E+03 F= 0.64864289E+03 E0= 0.67936734E+03 EK= 0.57139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367586106520E+03 -0.20285E+00 -0.23382E-01 8928 0.237E+01 0.314E-01 RMM: 2 -0.367609437967E+03 -0.23331E-01 -0.15100E-01 5541 0.824E-01 0.128E+00 RMM: 3 -0.367597286722E+03 0.12151E-01 -0.10750E-02 5390 0.231E-01 0.263E-01 RMM: 4 -0.367597304332E+03 -0.17610E-04 -0.15823E-03 4846 0.911E-02 0.290E-01 RMM: 5 -0.367596889863E+03 0.41447E-03 -0.56093E-04 4575 0.625E-02 0.180E-01 RMM: 6 -0.367596740931E+03 0.14893E-03 -0.20472E-04 3880 0.366E-02 0.102E-01 RMM: 7 -0.367596808675E+03 -0.67744E-04 -0.12004E-04 3852 0.299E-02 0.148E-01 RMM: 8 -0.367596672584E+03 0.13609E-03 -0.57805E-05 3383 0.225E-02 0.397E-02 RMM: 9 -0.367596669551E+03 0.30328E-05 -0.14418E-05 2507 0.107E-02 898 T= 7119. E= 0.70703265E+03 F= 0.64814343E+03 E0= 0.67885394E+03 EK= 0.58889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368035396576E+03 -0.43872E+00 -0.22097E-01 8976 0.240E+01 0.322E-01 RMM: 2 -0.368057120688E+03 -0.21724E-01 -0.15050E-01 5470 0.833E-01 0.120E+00 RMM: 3 -0.368046355782E+03 0.10765E-01 -0.11278E-02 5407 0.237E-01 0.253E-01 RMM: 4 -0.368046415814E+03 -0.60032E-04 -0.16028E-03 4853 0.914E-02 0.293E-01 RMM: 5 -0.368046038655E+03 0.37716E-03 -0.51247E-04 4519 0.586E-02 0.202E-01 RMM: 6 -0.368045834622E+03 0.20403E-03 -0.24113E-04 3891 0.406E-02 0.102E-01 RMM: 7 -0.368045925920E+03 -0.91297E-04 -0.13576E-04 3869 0.319E-02 0.161E-01 RMM: 8 -0.368045765220E+03 0.16070E-03 -0.67224E-05 3464 0.240E-02 0.393E-02 RMM: 9 -0.368045762940E+03 0.22792E-05 -0.17271E-05 2527 0.117E-02 899 T= 7120. E= 0.70630383E+03 F= 0.64740614E+03 E0= 0.67810320E+03 EK= 0.58898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368626369908E+03 -0.58060E+00 -0.20098E-01 8880 0.240E+01 0.317E-01 RMM: 2 -0.368648522252E+03 -0.22152E-01 -0.13718E-01 5387 0.792E-01 0.130E+00 RMM: 3 -0.368636026470E+03 0.12496E-01 -0.10473E-02 5393 0.227E-01 0.240E-01 RMM: 4 -0.368636188481E+03 -0.16201E-03 -0.16837E-03 4846 0.953E-02 0.317E-01 RMM: 5 -0.368635706552E+03 0.48193E-03 -0.65216E-04 4601 0.683E-02 0.187E-01 RMM: 6 -0.368635537800E+03 0.16875E-03 -0.20179E-04 3897 0.363E-02 0.102E-01 RMM: 7 -0.368635586454E+03 -0.48654E-04 -0.13947E-04 3876 0.325E-02 0.138E-01 RMM: 8 -0.368635467045E+03 0.11941E-03 -0.65059E-05 3441 0.239E-02 0.412E-02 RMM: 9 -0.368635463292E+03 0.37530E-05 -0.13757E-05 2501 0.105E-02 900 T= 6901. E= 0.70361223E+03 F= 0.64652108E+03 E0= 0.67720541E+03 EK= 0.57091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369252833853E+03 -0.61737E+00 -0.18581E-01 8520 0.237E+01 0.318E-01 RMM: 2 -0.369271033297E+03 -0.18199E-01 -0.11858E-01 5353 0.745E-01 0.117E+00 RMM: 3 -0.369260804937E+03 0.10228E-01 -0.94938E-03 5448 0.215E-01 0.235E-01 RMM: 4 -0.369261068524E+03 -0.26359E-03 -0.15451E-03 4777 0.931E-02 0.335E-01 RMM: 5 -0.369260495629E+03 0.57290E-03 -0.63471E-04 4590 0.670E-02 0.189E-01 RMM: 6 -0.369260350003E+03 0.14563E-03 -0.27256E-04 3906 0.424E-02 0.121E-01 RMM: 7 -0.369260398344E+03 -0.48341E-04 -0.14555E-04 3872 0.342E-02 0.153E-01 RMM: 8 -0.369260251078E+03 0.14727E-03 -0.71139E-05 3481 0.246E-02 0.393E-02 RMM: 9 -0.369260248801E+03 0.22766E-05 -0.15434E-05 2522 0.113E-02 901 T= 6550. E= 0.69977794E+03 F= 0.64558918E+03 E0= 0.67626238E+03 EK= 0.54189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369822284612E+03 -0.56203E+00 -0.17272E-01 8376 0.233E+01 0.314E-01 RMM: 2 -0.369837295348E+03 -0.15011E-01 -0.99016E-02 5375 0.697E-01 0.110E+00 RMM: 3 -0.369828917786E+03 0.83776E-02 -0.80279E-03 5470 0.196E-01 0.268E-01 RMM: 4 -0.369828941607E+03 -0.23821E-04 -0.15154E-03 4698 0.935E-02 0.308E-01 RMM: 5 -0.369828482782E+03 0.45883E-03 -0.80461E-04 4604 0.771E-02 0.196E-01 RMM: 6 -0.369828326986E+03 0.15580E-03 -0.27324E-04 3900 0.426E-02 0.122E-01 RMM: 7 -0.369828366015E+03 -0.39029E-04 -0.14065E-04 3883 0.341E-02 0.151E-01 RMM: 8 -0.369828224665E+03 0.14135E-03 -0.64281E-05 3443 0.235E-02 0.424E-02 RMM: 9 -0.369828220853E+03 0.38115E-05 -0.16298E-05 2513 0.116E-02 902 T= 6194. E= 0.69594221E+03 F= 0.64469964E+03 E0= 0.67536300E+03 EK= 0.51243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370277785816E+03 -0.44956E+00 -0.16177E-01 8484 0.230E+01 0.348E-01 RMM: 2 -0.370296853177E+03 -0.19067E-01 -0.90719E-02 5360 0.684E-01 0.141E+00 RMM: 3 -0.370283411306E+03 0.13442E-01 -0.91609E-03 5440 0.217E-01 0.264E-01 RMM: 4 -0.370283517867E+03 -0.10656E-03 -0.16359E-03 4697 0.953E-02 0.321E-01 RMM: 5 -0.370283083842E+03 0.43402E-03 -0.74846E-04 4599 0.739E-02 0.229E-01 RMM: 6 -0.370282828918E+03 0.25492E-03 -0.33247E-04 3943 0.470E-02 0.122E-01 RMM: 7 -0.370282888275E+03 -0.59356E-04 -0.18365E-04 3882 0.388E-02 0.161E-01 RMM: 8 -0.370282727292E+03 0.16098E-03 -0.84137E-05 3583 0.268E-02 0.428E-02 RMM: 9 -0.370282723171E+03 0.41208E-05 -0.15930E-05 2531 0.116E-02 903 T= 5940. E= 0.69305252E+03 F= 0.64390924E+03 E0= 0.67456434E+03 EK= 0.49143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370599325606E+03 -0.31660E+00 -0.15868E-01 8424 0.228E+01 0.344E-01 RMM: 2 -0.370615149142E+03 -0.15824E-01 -0.81981E-02 5358 0.650E-01 0.129E+00 RMM: 3 -0.370604360356E+03 0.10789E-01 -0.84105E-03 5423 0.206E-01 0.291E-01 RMM: 4 -0.370604367940E+03 -0.75839E-05 -0.16423E-03 4677 0.961E-02 0.320E-01 RMM: 5 -0.370603955422E+03 0.41252E-03 -0.85725E-04 4604 0.796E-02 0.239E-01 RMM: 6 -0.370603652838E+03 0.30258E-03 -0.30298E-04 3912 0.447E-02 0.106E-01 RMM: 7 -0.370603740150E+03 -0.87312E-04 -0.16310E-04 3884 0.358E-02 0.162E-01 RMM: 8 -0.370603571409E+03 0.16874E-03 -0.80594E-05 3608 0.264E-02 0.429E-02 RMM: 9 -0.370603567385E+03 0.40246E-05 -0.16368E-05 2533 0.117E-02 904 T= 5852. E= 0.69165158E+03 F= 0.64324125E+03 E0= 0.67388885E+03 EK= 0.48410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370789760110E+03 -0.18619E+00 -0.15651E-01 8592 0.228E+01 0.352E-01 RMM: 2 -0.370805961199E+03 -0.16201E-01 -0.76331E-02 5366 0.625E-01 0.135E+00 RMM: 3 -0.370794104734E+03 0.11856E-01 -0.81398E-03 5405 0.206E-01 0.279E-01 RMM: 4 -0.370794280857E+03 -0.17612E-03 -0.17526E-03 4688 0.997E-02 0.345E-01 RMM: 5 -0.370793790292E+03 0.49057E-03 -0.70790E-04 4594 0.710E-02 0.241E-01 RMM: 6 -0.370793460193E+03 0.33010E-03 -0.29896E-04 3901 0.447E-02 0.103E-01 RMM: 7 -0.370793537643E+03 -0.77450E-04 -0.17622E-04 3876 0.370E-02 0.157E-01 RMM: 8 -0.370793383331E+03 0.15431E-03 -0.83934E-05 3598 0.268E-02 0.412E-02 RMM: 9 -0.370793379165E+03 0.41659E-05 -0.15265E-05 2526 0.112E-02 905 T= 5947. E= 0.69189286E+03 F= 0.64269817E+03 E0= 0.67333906E+03 EK= 0.49195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370857381909E+03 -0.63999E-01 -0.15833E-01 8340 0.231E+01 0.344E-01 RMM: 2 -0.370871366027E+03 -0.13984E-01 -0.72456E-02 5327 0.613E-01 0.121E+00 RMM: 3 -0.370861604445E+03 0.97616E-02 -0.78342E-03 5389 0.201E-01 0.293E-01 RMM: 4 -0.370861741294E+03 -0.13685E-03 -0.16687E-03 4683 0.971E-02 0.340E-01 RMM: 5 -0.370861182109E+03 0.55919E-03 -0.71948E-04 4599 0.721E-02 0.220E-01 RMM: 6 -0.370860922148E+03 0.25996E-03 -0.23931E-04 3878 0.398E-02 0.940E-02 RMM: 7 -0.370860996900E+03 -0.74752E-04 -0.13621E-04 3883 0.319E-02 0.148E-01 RMM: 8 -0.370860857204E+03 0.13970E-03 -0.67996E-05 3511 0.244E-02 0.400E-02 RMM: 9 -0.370860852520E+03 0.46839E-05 -0.14243E-05 2511 0.108E-02 906 T= 6201. E= 0.69357771E+03 F= 0.64227679E+03 E0= 0.67291132E+03 EK= 0.51301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370798529469E+03 0.62328E-01 -0.16601E-01 7716 0.236E+01 0.337E-01 RMM: 2 -0.370812270809E+03 -0.13741E-01 -0.73630E-02 5280 0.632E-01 0.121E+00 RMM: 3 -0.370802933842E+03 0.93370E-02 -0.76988E-03 5405 0.200E-01 0.284E-01 RMM: 4 -0.370802983033E+03 -0.49191E-04 -0.16040E-03 4683 0.954E-02 0.319E-01 RMM: 5 -0.370802566323E+03 0.41671E-03 -0.70196E-04 4600 0.718E-02 0.224E-01 RMM: 6 -0.370802280986E+03 0.28534E-03 -0.25272E-04 3900 0.416E-02 0.979E-02 RMM: 7 -0.370802337024E+03 -0.56038E-04 -0.15630E-04 3869 0.353E-02 0.142E-01 RMM: 8 -0.370802211274E+03 0.12575E-03 -0.70670E-05 3523 0.250E-02 0.403E-02 RMM: 9 -0.370802206164E+03 0.51098E-05 -0.13399E-05 2505 0.106E-02 907 T= 6546. E= 0.69613380E+03 F= 0.64198488E+03 E0= 0.67261323E+03 EK= 0.54149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370587585269E+03 0.21463E+00 -0.17727E-01 7656 0.242E+01 0.311E-01 RMM: 2 -0.370600444083E+03 -0.12859E-01 -0.73858E-02 5210 0.643E-01 0.111E+00 RMM: 3 -0.370592299954E+03 0.81441E-02 -0.75323E-03 5391 0.196E-01 0.247E-01 RMM: 4 -0.370592485068E+03 -0.18511E-03 -0.14606E-03 4701 0.926E-02 0.319E-01 RMM: 5 -0.370591971400E+03 0.51367E-03 -0.76655E-04 4603 0.763E-02 0.193E-01 RMM: 6 -0.370591804932E+03 0.16647E-03 -0.23744E-04 3882 0.397E-02 0.111E-01 RMM: 7 -0.370591826398E+03 -0.21466E-04 -0.13498E-04 3873 0.343E-02 0.132E-01 RMM: 8 -0.370591715587E+03 0.11081E-03 -0.51247E-05 3319 0.216E-02 0.349E-02 RMM: 9 -0.370591715199E+03 0.38763E-06 -0.12588E-05 2490 0.102E-02 908 T= 6864. E= 0.69863325E+03 F= 0.64184934E+03 E0= 0.67247148E+03 EK= 0.56784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370189527775E+03 0.40219E+00 -0.18270E-01 7356 0.246E+01 0.304E-01 RMM: 2 -0.370201474910E+03 -0.11947E-01 -0.74994E-02 5238 0.662E-01 0.105E+00 RMM: 3 -0.370194410415E+03 0.70645E-02 -0.73032E-03 5381 0.192E-01 0.261E-01 RMM: 4 -0.370194354211E+03 0.56205E-04 -0.12682E-03 4662 0.862E-02 0.277E-01 RMM: 5 -0.370194074853E+03 0.27936E-03 -0.85401E-04 4602 0.819E-02 0.215E-01 RMM: 6 -0.370193856815E+03 0.21804E-03 -0.28249E-04 3907 0.438E-02 0.117E-01 RMM: 7 -0.370193856007E+03 0.80762E-06 -0.16711E-04 3874 0.395E-02 909 T= 7029. E= 0.70005288E+03 F= 0.64190380E+03 E0= 0.67251893E+03 EK= 0.58149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369583610724E+03 0.61025E+00 -0.17926E-01 7272 0.247E+01 0.332E-01 RMM: 2 -0.369592026804E+03 -0.84161E-02 -0.71916E-02 5202 0.645E-01 0.784E-01 RMM: 3 -0.369588109306E+03 0.39175E-02 -0.68421E-03 5379 0.183E-01 0.274E-01 RMM: 4 -0.369588698403E+03 -0.58910E-03 -0.16802E-03 4790 0.105E-01 0.431E-01 RMM: 5 -0.369587614774E+03 0.10836E-02 -0.11319E-03 4607 0.925E-02 0.178E-01 RMM: 6 -0.369587584956E+03 0.29818E-04 -0.33995E-04 3931 0.472E-02 0.173E-01 RMM: 7 -0.369587478911E+03 0.10604E-03 -0.21789E-04 3888 0.458E-02 0.132E-01 RMM: 8 -0.369587375458E+03 0.10345E-03 -0.58290E-05 3394 0.227E-02 0.445E-02 RMM: 9 -0.369587381511E+03 -0.60532E-05 -0.26225E-05 2704 0.148E-02 910 T= 6966. E= 0.69979618E+03 F= 0.64216535E+03 E0= 0.67277269E+03 EK= 0.57631E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368782623932E+03 0.80475E+00 -0.17911E-01 7032 0.244E+01 0.275E-01 RMM: 2 -0.368793785547E+03 -0.11162E-01 -0.77033E-02 4927 0.657E-01 0.939E-01 RMM: 3 -0.368787930797E+03 0.58548E-02 -0.82142E-03 5409 0.200E-01 0.211E-01 RMM: 4 -0.368788173953E+03 -0.24316E-03 -0.11910E-03 4776 0.840E-02 0.309E-01 RMM: 5 -0.368787738963E+03 0.43499E-03 -0.62040E-04 4589 0.690E-02 0.194E-01 RMM: 6 -0.368787530079E+03 0.20888E-03 -0.23681E-04 3898 0.405E-02 0.762E-02 RMM: 7 -0.368787573467E+03 -0.43388E-04 -0.88425E-05 3774 0.286E-02 0.116E-01 RMM: 8 -0.368787489602E+03 0.83865E-04 -0.31283E-05 2975 0.176E-02 0.326E-02 RMM: 9 -0.368787485183E+03 0.44199E-05 -0.78235E-06 2452 0.815E-03 911 T= 6705. E= 0.69808402E+03 F= 0.64261404E+03 E0= 0.67321157E+03 EK= 0.55470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367849114098E+03 0.93838E+00 -0.17472E-01 6924 0.238E+01 0.368E-01 RMM: 2 -0.367857432442E+03 -0.83183E-02 -0.69211E-02 4979 0.623E-01 0.851E-01 RMM: 3 -0.367852746093E+03 0.46863E-02 -0.74961E-03 5362 0.197E-01 0.290E-01 RMM: 4 -0.367853798728E+03 -0.10526E-02 -0.21580E-03 5192 0.119E-01 0.509E-01 RMM: 5 -0.367852195151E+03 0.16036E-02 -0.93498E-04 4606 0.821E-02 0.160E-01 RMM: 6 -0.367852100829E+03 0.94323E-04 -0.21304E-04 3891 0.375E-02 0.117E-01 RMM: 7 -0.367852096393E+03 0.44350E-05 -0.12602E-04 3874 0.329E-02 912 T= 6360. E= 0.69579886E+03 F= 0.64318845E+03 E0= 0.67377474E+03 EK= 0.52610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366860563984E+03 0.99154E+00 -0.16570E-01 6888 0.231E+01 0.391E-01 RMM: 2 -0.366868063294E+03 -0.74993E-02 -0.65633E-02 5005 0.601E-01 0.826E-01 RMM: 3 -0.366863775987E+03 0.42873E-02 -0.72262E-03 5350 0.195E-01 0.323E-01 RMM: 4 -0.366865057406E+03 -0.12814E-02 -0.21638E-03 5107 0.115E-01 0.562E-01 RMM: 5 -0.366863037268E+03 0.20201E-02 -0.10779E-03 4608 0.890E-02 0.142E-01 RMM: 6 -0.366862996829E+03 0.40439E-04 -0.21629E-04 3888 0.374E-02 0.127E-01 RMM: 7 -0.366862993177E+03 0.36519E-05 -0.10900E-04 3862 0.305E-02 913 T= 6062. E= 0.69395473E+03 F= 0.64380600E+03 E0= 0.67437687E+03 EK= 0.50149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365898169288E+03 0.96483E+00 -0.15988E-01 7224 0.226E+01 0.373E-01 RMM: 2 -0.365906667814E+03 -0.84985E-02 -0.66661E-02 5064 0.605E-01 0.894E-01 RMM: 3 -0.365901598340E+03 0.50695E-02 -0.71462E-03 5367 0.193E-01 0.313E-01 RMM: 4 -0.365902792299E+03 -0.11940E-02 -0.20349E-03 5006 0.111E-01 0.538E-01 RMM: 5 -0.365901026668E+03 0.17656E-02 -0.91402E-04 4605 0.809E-02 0.163E-01 RMM: 6 -0.365900881224E+03 0.14544E-03 -0.19224E-04 3912 0.360E-02 0.834E-02 RMM: 7 -0.365900936165E+03 -0.54941E-04 -0.93941E-05 3740 0.261E-02 0.133E-01 RMM: 8 -0.365900822424E+03 0.11374E-03 -0.53699E-05 3333 0.221E-02 0.338E-02 RMM: 9 -0.365900823827E+03 -0.14031E-05 -0.15469E-05 2512 0.111E-02 914 T= 5910. E= 0.69328155E+03 F= 0.64438849E+03 E0= 0.67494246E+03 EK= 0.48893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365021256225E+03 0.87957E+00 -0.15575E-01 7476 0.224E+01 0.339E-01 RMM: 2 -0.365029696834E+03 -0.84406E-02 -0.65234E-02 4993 0.599E-01 0.872E-01 RMM: 3 -0.365024828186E+03 0.48686E-02 -0.69418E-03 5397 0.186E-01 0.255E-01 RMM: 4 -0.365025912750E+03 -0.10846E-02 -0.18133E-03 4961 0.105E-01 0.492E-01 RMM: 5 -0.365024428063E+03 0.14847E-02 -0.77638E-04 4598 0.744E-02 0.149E-01 RMM: 6 -0.365024313386E+03 0.11468E-03 -0.18861E-04 3892 0.354E-02 0.772E-02 RMM: 7 -0.365024353477E+03 -0.40091E-04 -0.67399E-05 3521 0.238E-02 0.115E-01 RMM: 8 -0.365024266692E+03 0.86785E-04 -0.32423E-05 2993 0.178E-02 0.275E-02 RMM: 9 -0.365024265183E+03 0.15093E-05 -0.88617E-06 2458 0.825E-03 915 T= 5950. E= 0.69410811E+03 F= 0.64488222E+03 E0= 0.67541614E+03 EK= 0.49226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364255085774E+03 0.76918E+00 -0.15601E-01 7860 0.226E+01 0.371E-01 RMM: 2 -0.364267875996E+03 -0.12790E-01 -0.67678E-02 5125 0.613E-01 0.120E+00 RMM: 3 -0.364258482968E+03 0.93930E-02 -0.78596E-03 5367 0.203E-01 0.267E-01 RMM: 4 -0.364259444206E+03 -0.96124E-03 -0.21509E-03 4988 0.113E-01 0.484E-01 RMM: 5 -0.364258140905E+03 0.13033E-02 -0.89385E-04 4604 0.804E-02 0.205E-01 RMM: 6 -0.364257898741E+03 0.24216E-03 -0.21495E-04 3895 0.379E-02 0.866E-02 RMM: 7 -0.364257943322E+03 -0.44581E-04 -0.13693E-04 3875 0.334E-02 0.129E-01 RMM: 8 -0.364257836089E+03 0.10723E-03 -0.61473E-05 3413 0.235E-02 0.370E-02 RMM: 9 -0.364257835464E+03 0.62515E-06 -0.16512E-05 2525 0.118E-02 916 T= 6178. E= 0.69637438E+03 F= 0.64526838E+03 E0= 0.67577963E+03 EK= 0.51106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363587707458E+03 0.67013E+00 -0.16232E-01 7848 0.231E+01 0.321E-01 RMM: 2 -0.363600348089E+03 -0.12641E-01 -0.75376E-02 5121 0.638E-01 0.109E+00 RMM: 3 -0.363592401353E+03 0.79467E-02 -0.77108E-03 5419 0.192E-01 0.224E-01 RMM: 4 -0.363592940969E+03 -0.53962E-03 -0.17533E-03 4817 0.103E-01 0.388E-01 RMM: 5 -0.363592058635E+03 0.88233E-03 -0.87765E-04 4608 0.805E-02 0.158E-01 RMM: 6 -0.363591989062E+03 0.69573E-04 -0.24415E-04 3898 0.405E-02 0.126E-01 RMM: 7 -0.363591979114E+03 0.99476E-05 -0.13239E-04 3863 0.347E-02 917 T= 6532. E= 0.69959987E+03 F= 0.64556091E+03 E0= 0.67604732E+03 EK= 0.54039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362983059583E+03 0.60893E+00 -0.18045E-01 7944 0.238E+01 0.345E-01 RMM: 2 -0.362995730120E+03 -0.12671E-01 -0.97135E-02 5142 0.712E-01 0.959E-01 RMM: 3 -0.362989589518E+03 0.61406E-02 -0.93323E-03 5510 0.198E-01 0.280E-01 RMM: 4 -0.362989964488E+03 -0.37497E-03 -0.18653E-03 4875 0.108E-01 0.404E-01 RMM: 5 -0.362989010693E+03 0.95379E-03 -0.13134E-03 4608 0.993E-02 0.179E-01 RMM: 6 -0.362988982707E+03 0.27986E-04 -0.33860E-04 3962 0.477E-02 0.177E-01 RMM: 7 -0.362988837374E+03 0.14533E-03 -0.27630E-04 4007 0.513E-02 0.118E-01 RMM: 8 -0.362988758208E+03 0.79166E-04 -0.62927E-05 3412 0.234E-02 0.496E-02 RMM: 9 -0.362988765667E+03 -0.74588E-05 -0.31089E-05 2734 0.166E-02 918 T= 6897. E= 0.70285591E+03 F= 0.64579908E+03 E0= 0.67625914E+03 EK= 0.57057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362397865402E+03 0.59089E+00 -0.19220E-01 8088 0.243E+01 0.264E-01 RMM: 2 -0.362410660312E+03 -0.12795E-01 -0.91642E-02 5180 0.705E-01 0.963E-01 RMM: 3 -0.362404545887E+03 0.61144E-02 -0.89300E-03 5638 0.193E-01 0.198E-01 RMM: 4 -0.362404609689E+03 -0.63802E-04 -0.10225E-03 4638 0.760E-02 0.271E-01 RMM: 5 -0.362404200726E+03 0.40896E-03 -0.61784E-04 4605 0.697E-02 0.144E-01 RMM: 6 -0.362404175751E+03 0.24976E-04 -0.29268E-04 3929 0.438E-02 0.134E-01 RMM: 7 -0.362404126549E+03 0.49202E-04 -0.11469E-04 3861 0.331E-02 0.107E-01 RMM: 8 -0.362404053246E+03 0.73304E-04 -0.29498E-05 2938 0.165E-02 0.294E-02 RMM: 9 -0.362404052432E+03 0.81353E-06 -0.10168E-05 2463 0.917E-03 919 T= 7125. E= 0.70497144E+03 F= 0.64602483E+03 E0= 0.67645831E+03 EK= 0.58947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361807333516E+03 0.59672E+00 -0.19254E-01 8172 0.245E+01 0.337E-01 RMM: 2 -0.361818804435E+03 -0.11471E-01 -0.93239E-02 5276 0.696E-01 0.901E-01 RMM: 3 -0.361813348052E+03 0.54564E-02 -0.81992E-03 5559 0.188E-01 0.275E-01 RMM: 4 -0.361813673658E+03 -0.32561E-03 -0.17864E-03 4780 0.106E-01 0.387E-01 RMM: 5 -0.361812812344E+03 0.86131E-03 -0.10391E-03 4608 0.870E-02 0.191E-01 RMM: 6 -0.361812705450E+03 0.10689E-03 -0.32874E-04 3952 0.466E-02 0.151E-01 RMM: 7 -0.361812685378E+03 0.20072E-04 -0.21123E-04 3889 0.436E-02 0.150E-01 RMM: 8 -0.361812542209E+03 0.14317E-03 -0.77207E-05 3579 0.259E-02 0.443E-02 RMM: 9 -0.361812540551E+03 0.16575E-05 -0.19326E-05 2557 0.128E-02 920 T= 7113. E= 0.70510151E+03 F= 0.64625847E+03 E0= 0.67666703E+03 EK= 0.58843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361220252988E+03 0.59229E+00 -0.18681E-01 7920 0.242E+01 0.328E-01 RMM: 2 -0.361232890371E+03 -0.12637E-01 -0.93765E-02 5150 0.690E-01 0.971E-01 RMM: 3 -0.361226305194E+03 0.65852E-02 -0.86633E-03 5579 0.195E-01 0.233E-01 RMM: 4 -0.361226943202E+03 -0.63801E-03 -0.17193E-03 4834 0.102E-01 0.419E-01 RMM: 5 -0.361225891587E+03 0.10516E-02 -0.79313E-04 4607 0.755E-02 0.160E-01 RMM: 6 -0.361225802082E+03 0.89505E-04 -0.24411E-04 3910 0.397E-02 0.118E-01 RMM: 7 -0.361225833282E+03 -0.31200E-04 -0.12148E-04 3869 0.318E-02 0.143E-01 RMM: 8 -0.361225698483E+03 0.13480E-03 -0.60231E-05 3429 0.228E-02 0.348E-02 RMM: 9 -0.361225698631E+03 -0.14882E-06 -0.14652E-05 2514 0.108E-02 921 T= 6866. E= 0.70328451E+03 F= 0.64648245E+03 E0= 0.67687055E+03 EK= 0.56802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360694012159E+03 0.53169E+00 -0.18158E-01 7872 0.237E+01 0.378E-01 RMM: 2 -0.360707466917E+03 -0.13455E-01 -0.96482E-02 5204 0.702E-01 0.107E+00 RMM: 3 -0.360699674115E+03 0.77928E-02 -0.92802E-03 5446 0.211E-01 0.292E-01 RMM: 4 -0.360700569787E+03 -0.89567E-03 -0.23788E-03 5032 0.121E-01 0.481E-01 RMM: 5 -0.360699188460E+03 0.13813E-02 -0.86711E-04 4592 0.766E-02 0.197E-01 RMM: 6 -0.360698965745E+03 0.22271E-03 -0.22034E-04 3903 0.379E-02 0.891E-02 RMM: 7 -0.360699030037E+03 -0.64292E-04 -0.12638E-04 3880 0.303E-02 0.142E-01 RMM: 8 -0.360698897528E+03 0.13251E-03 -0.63202E-05 3440 0.232E-02 0.303E-02 RMM: 9 -0.360698902073E+03 -0.45446E-05 -0.16811E-05 2541 0.114E-02 922 T= 6500. E= 0.70040768E+03 F= 0.64663632E+03 E0= 0.67700899E+03 EK= 0.53771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360308295792E+03 0.39060E+00 -0.17160E-01 7920 0.231E+01 0.423E-01 RMM: 2 -0.360324279581E+03 -0.15984E-01 -0.10021E-01 5214 0.728E-01 0.127E+00 RMM: 3 -0.360313835680E+03 0.10444E-01 -0.10359E-02 5398 0.227E-01 0.311E-01 RMM: 4 -0.360315087147E+03 -0.12515E-02 -0.27962E-03 5117 0.127E-01 0.551E-01 RMM: 5 -0.360313244012E+03 0.18431E-02 -0.10472E-03 4598 0.848E-02 0.188E-01 RMM: 6 -0.360313037305E+03 0.20671E-03 -0.21770E-04 3884 0.374E-02 0.861E-02 RMM: 7 -0.360313120899E+03 -0.83594E-04 -0.12390E-04 3866 0.293E-02 0.149E-01 RMM: 8 -0.360312974738E+03 0.14616E-03 -0.68535E-05 3523 0.239E-02 0.393E-02 RMM: 9 -0.360312973718E+03 0.10202E-05 -0.17842E-05 2549 0.119E-02 923 T= 6163. E= 0.69762073E+03 F= 0.64663685E+03 E0= 0.67700097E+03 EK= 0.50984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360142058276E+03 0.17092E+00 -0.16585E-01 7848 0.227E+01 0.428E-01 RMM: 2 -0.360156265058E+03 -0.14207E-01 -0.95434E-02 5188 0.717E-01 0.118E+00 RMM: 3 -0.360147340222E+03 0.89248E-02 -0.10632E-02 5404 0.228E-01 0.343E-01 RMM: 4 -0.360148611017E+03 -0.12708E-02 -0.28460E-03 5106 0.130E-01 0.561E-01 RMM: 5 -0.360146708105E+03 0.19029E-02 -0.98614E-04 4596 0.808E-02 0.210E-01 RMM: 6 -0.360146449467E+03 0.25864E-03 -0.24514E-04 3903 0.400E-02 0.866E-02 RMM: 7 -0.360146526619E+03 -0.77152E-04 -0.11741E-04 3863 0.280E-02 0.145E-01 RMM: 8 -0.360146383461E+03 0.14316E-03 -0.66665E-05 3484 0.236E-02 0.347E-02 RMM: 9 -0.360146389597E+03 -0.61361E-05 -0.21888E-05 2638 0.132E-02 924 T= 5970. E= 0.69579342E+03 F= 0.64640670E+03 E0= 0.67676818E+03 EK= 0.49387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360247882640E+03 -0.10150E+00 -0.15811E-01 7908 0.226E+01 0.407E-01 RMM: 2 -0.360260070361E+03 -0.12188E-01 -0.74401E-02 5267 0.637E-01 0.118E+00 RMM: 3 -0.360251482430E+03 0.85879E-02 -0.81826E-03 5364 0.205E-01 0.314E-01 RMM: 4 -0.360252661706E+03 -0.11793E-02 -0.25851E-03 5049 0.123E-01 0.536E-01 RMM: 5 -0.360250888084E+03 0.17736E-02 -0.10031E-03 4604 0.839E-02 0.178E-01 RMM: 6 -0.360250705772E+03 0.18231E-03 -0.19847E-04 3891 0.356E-02 0.869E-02 RMM: 7 -0.360250757000E+03 -0.51229E-04 -0.10431E-04 3850 0.273E-02 0.132E-01 RMM: 8 -0.360250643081E+03 0.11392E-03 -0.54399E-05 3347 0.218E-02 0.364E-02 RMM: 9 -0.360250643759E+03 -0.67778E-06 -0.15914E-05 2523 0.112E-02 925 T= 5976. E= 0.69533511E+03 F= 0.64589847E+03 E0= 0.67626377E+03 EK= 0.49437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360626948137E+03 -0.37631E+00 -0.15829E-01 7968 0.229E+01 0.387E-01 RMM: 2 -0.360638611283E+03 -0.11663E-01 -0.62526E-02 5263 0.597E-01 0.117E+00 RMM: 3 -0.360629797867E+03 0.88134E-02 -0.76889E-03 5349 0.201E-01 0.295E-01 RMM: 4 -0.360630706642E+03 -0.90877E-03 -0.22543E-03 4902 0.116E-01 0.484E-01 RMM: 5 -0.360629361610E+03 0.13450E-02 -0.86539E-04 4602 0.770E-02 0.213E-01 RMM: 6 -0.360629107257E+03 0.25435E-03 -0.26387E-04 3906 0.420E-02 0.939E-02 RMM: 7 -0.360629177547E+03 -0.70290E-04 -0.11706E-04 3861 0.296E-02 0.144E-01 RMM: 8 -0.360629037508E+03 0.14004E-03 -0.60036E-05 3421 0.230E-02 0.344E-02 RMM: 9 -0.360629038744E+03 -0.12361E-05 -0.15188E-05 2522 0.110E-02 926 T= 6177. E= 0.69621807E+03 F= 0.64511427E+03 E0= 0.67548796E+03 EK= 0.51104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361218935775E+03 -0.58990E+00 -0.16561E-01 8148 0.234E+01 0.348E-01 RMM: 2 -0.361230490445E+03 -0.11555E-01 -0.58435E-02 5333 0.573E-01 0.116E+00 RMM: 3 -0.361221803978E+03 0.86865E-02 -0.62249E-03 5352 0.180E-01 0.250E-01 RMM: 4 -0.361222393887E+03 -0.58991E-03 -0.18917E-03 4682 0.107E-01 0.416E-01 RMM: 5 -0.361221449321E+03 0.94457E-03 -0.95835E-04 4608 0.850E-02 0.201E-01 RMM: 6 -0.361221252800E+03 0.19652E-03 -0.26207E-04 3898 0.414E-02 0.114E-01 RMM: 7 -0.361221251094E+03 0.17062E-05 -0.14040E-04 3872 0.360E-02 927 T= 6511. E= 0.69798492E+03 F= 0.64411883E+03 E0= 0.67450475E+03 EK= 0.53866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361897879495E+03 -0.67663E+00 -0.18171E-01 8196 0.242E+01 0.356E-01 RMM: 2 -0.361908430850E+03 -0.10551E-01 -0.74702E-02 5313 0.636E-01 0.975E-01 RMM: 3 -0.361902346422E+03 0.60844E-02 -0.72956E-03 5384 0.185E-01 0.299E-01 RMM: 4 -0.361902723720E+03 -0.37730E-03 -0.19446E-03 4775 0.111E-01 0.413E-01 RMM: 5 -0.361901737402E+03 0.98632E-03 -0.12829E-03 4608 0.979E-02 0.196E-01 RMM: 6 -0.361901703663E+03 0.33739E-04 -0.40802E-04 4152 0.518E-02 0.191E-01 RMM: 7 -0.361901577815E+03 0.12585E-03 -0.26224E-04 3902 0.482E-02 0.147E-01 RMM: 8 -0.361901441309E+03 0.13651E-03 -0.93281E-05 3693 0.285E-02 0.485E-02 RMM: 9 -0.361901450734E+03 -0.94246E-05 -0.26272E-05 2719 0.148E-02 928 T= 6856. E= 0.69975425E+03 F= 0.64303950E+03 E0= 0.67343903E+03 EK= 0.56715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362499982804E+03 -0.59854E+00 -0.19911E-01 8712 0.247E+01 0.305E-01 RMM: 2 -0.362517728772E+03 -0.17746E-01 -0.92366E-02 5292 0.700E-01 0.132E+00 RMM: 3 -0.362506420362E+03 0.11308E-01 -0.96578E-03 5413 0.215E-01 0.245E-01 RMM: 4 -0.362506289924E+03 0.13044E-03 -0.13349E-03 4655 0.837E-02 0.253E-01 RMM: 5 -0.362505953960E+03 0.33596E-03 -0.81358E-04 4608 0.811E-02 0.174E-01 RMM: 6 -0.362505915404E+03 0.38556E-04 -0.34681E-04 3968 0.478E-02 0.159E-01 RMM: 7 -0.362505896883E+03 0.18521E-04 -0.16395E-04 3892 0.376E-02 929 T= 7061. E= 0.70044735E+03 F= 0.64203791E+03 E0= 0.67244871E+03 EK= 0.58409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362878608710E+03 -0.37269E+00 -0.21543E-01 8808 0.249E+01 0.397E-01 RMM: 2 -0.362890577904E+03 -0.11969E-01 -0.99687E-02 5353 0.713E-01 0.960E-01 RMM: 3 -0.362884636222E+03 0.59417E-02 -0.96439E-03 5512 0.208E-01 0.339E-01 RMM: 4 -0.362885104581E+03 -0.46836E-03 -0.21494E-03 4856 0.116E-01 0.474E-01 RMM: 5 -0.362883743503E+03 0.13611E-02 -0.17117E-03 4622 0.113E-01 0.200E-01 RMM: 6 -0.362883835591E+03 -0.92088E-04 -0.62941E-04 4611 0.647E-02 0.240E-01 RMM: 7 -0.362883613956E+03 0.22164E-03 -0.33295E-04 4148 0.526E-02 0.163E-01 RMM: 8 -0.362883447501E+03 0.16645E-03 -0.98313E-05 3752 0.285E-02 0.570E-02 RMM: 9 -0.362883453469E+03 -0.59682E-05 -0.38922E-05 3044 0.175E-02 930 T= 7022. E= 0.69935352E+03 F= 0.64126013E+03 E0= 0.67167847E+03 EK= 0.58093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362948249243E+03 -0.64802E-01 -0.21528E-01 8868 0.246E+01 0.334E-01 RMM: 2 -0.362967894592E+03 -0.19645E-01 -0.10005E-01 5244 0.687E-01 0.139E+00 RMM: 3 -0.362954786159E+03 0.13108E-01 -0.10264E-02 5416 0.222E-01 0.233E-01 RMM: 4 -0.362955089252E+03 -0.30309E-03 -0.16376E-03 4710 0.932E-02 0.353E-01 RMM: 5 -0.362954397349E+03 0.69190E-03 -0.76517E-04 4608 0.756E-02 0.178E-01 RMM: 6 -0.362954310431E+03 0.86917E-04 -0.32651E-04 3920 0.463E-02 0.140E-01 RMM: 7 -0.362954308597E+03 0.18341E-05 -0.14972E-04 3880 0.359E-02 931 T= 6753. E= 0.69664165E+03 F= 0.64077984E+03 E0= 0.67119821E+03 EK= 0.55862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362726454675E+03 0.22786E+00 -0.20657E-01 8748 0.240E+01 0.452E-01 RMM: 2 -0.362736447389E+03 -0.99927E-02 -0.90518E-02 5408 0.632E-01 0.929E-01 RMM: 3 -0.362730724251E+03 0.57231E-02 -0.82911E-03 5371 0.202E-01 0.408E-01 RMM: 4 -0.362732278584E+03 -0.15543E-02 -0.30981E-03 4932 0.140E-01 0.654E-01 RMM: 5 -0.362729579857E+03 0.26987E-02 -0.16825E-03 4617 0.109E-01 0.188E-01 RMM: 6 -0.362729561444E+03 0.18413E-04 -0.44597E-04 4380 0.531E-02 0.191E-01 RMM: 7 -0.362729436261E+03 0.12518E-03 -0.21852E-04 3893 0.429E-02 0.144E-01 RMM: 8 -0.362729310542E+03 0.12572E-03 -0.78329E-05 3582 0.260E-02 0.502E-02 RMM: 9 -0.362729324392E+03 -0.13850E-04 -0.35103E-05 2956 0.164E-02 932 T= 6369. E= 0.69327012E+03 F= 0.64058132E+03 E0= 0.67099470E+03 EK= 0.52689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362283900250E+03 0.44541E+00 -0.19388E-01 8736 0.233E+01 0.380E-01 RMM: 2 -0.362296906191E+03 -0.13006E-01 -0.88846E-02 5359 0.615E-01 0.110E+00 RMM: 3 -0.362288412848E+03 0.84933E-02 -0.82610E-03 5444 0.200E-01 0.292E-01 RMM: 4 -0.362289430603E+03 -0.10178E-02 -0.22835E-03 4987 0.116E-01 0.501E-01 RMM: 5 -0.362287988834E+03 0.14418E-02 -0.87267E-04 4603 0.787E-02 0.217E-01 RMM: 6 -0.362287704861E+03 0.28397E-03 -0.28760E-04 3937 0.440E-02 0.797E-02 RMM: 7 -0.362287782797E+03 -0.77936E-04 -0.10085E-04 3799 0.275E-02 0.139E-01 RMM: 8 -0.362287656405E+03 0.12639E-03 -0.48783E-05 3260 0.210E-02 0.346E-02 RMM: 9 -0.362287653661E+03 0.27442E-05 -0.12971E-05 2496 0.101E-02 933 T= 6020. E= 0.69038808E+03 F= 0.64058389E+03 E0= 0.67098596E+03 EK= 0.49804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361730832574E+03 0.55682E+00 -0.18546E-01 8784 0.227E+01 0.462E-01 RMM: 2 -0.361740708717E+03 -0.98761E-02 -0.83824E-02 5544 0.589E-01 0.987E-01 RMM: 3 -0.361734073471E+03 0.66352E-02 -0.73248E-03 5373 0.191E-01 0.395E-01 RMM: 4 -0.361735564382E+03 -0.14909E-02 -0.28653E-03 4891 0.133E-01 0.639E-01 RMM: 5 -0.361733039657E+03 0.25247E-02 -0.13205E-03 4603 0.965E-02 0.175E-01 RMM: 6 -0.361732921729E+03 0.11793E-03 -0.27425E-04 3893 0.415E-02 0.126E-01 RMM: 7 -0.361732891694E+03 0.30035E-04 -0.11546E-04 3884 0.307E-02 0.121E-01 RMM: 8 -0.361732798165E+03 0.93529E-04 -0.53890E-05 3344 0.212E-02 0.382E-02 RMM: 9 -0.361732811884E+03 -0.13718E-04 -0.24837E-05 2689 0.141E-02 934 T= 5820. E= 0.68883578E+03 F= 0.64068686E+03 E0= 0.67107499E+03 EK= 0.48149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361157010112E+03 0.57579E+00 -0.18340E-01 8772 0.226E+01 0.442E-01 RMM: 2 -0.361168970855E+03 -0.11961E-01 -0.85505E-02 5420 0.619E-01 0.111E+00 RMM: 3 -0.361160825575E+03 0.81453E-02 -0.86569E-03 5369 0.209E-01 0.360E-01 RMM: 4 -0.361162155039E+03 -0.13295E-02 -0.29668E-03 4906 0.132E-01 0.586E-01 RMM: 5 -0.361160072110E+03 0.20829E-02 -0.12182E-03 4608 0.924E-02 0.208E-01 RMM: 6 -0.361159822285E+03 0.24982E-03 -0.24968E-04 3911 0.403E-02 0.942E-02 RMM: 7 -0.361159881153E+03 -0.58868E-04 -0.12180E-04 3868 0.298E-02 0.141E-01 RMM: 8 -0.361159751256E+03 0.12990E-03 -0.62160E-05 3429 0.232E-02 0.383E-02 RMM: 9 -0.361159752829E+03 -0.15725E-05 -0.19768E-05 2564 0.126E-02 935 T= 5827. E= 0.68901013E+03 F= 0.64080178E+03 E0= 0.67117561E+03 EK= 0.48208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360632777818E+03 0.52697E+00 -0.18068E-01 8544 0.228E+01 0.421E-01 RMM: 2 -0.360645170982E+03 -0.12393E-01 -0.80084E-02 5535 0.590E-01 0.114E+00 RMM: 3 -0.360636310110E+03 0.88609E-02 -0.71068E-03 5377 0.187E-01 0.301E-01 RMM: 4 -0.360637938360E+03 -0.16282E-02 -0.26685E-03 4825 0.127E-01 0.600E-01 RMM: 5 -0.360635713531E+03 0.22248E-02 -0.11831E-03 4602 0.915E-02 0.167E-01 RMM: 6 -0.360635591422E+03 0.12211E-03 -0.24220E-04 3886 0.389E-02 0.111E-01 RMM: 7 -0.360635590448E+03 0.97407E-06 -0.10613E-04 3865 0.297E-02 936 T= 6048. E= 0.69090431E+03 F= 0.64086960E+03 E0= 0.67123157E+03 EK= 0.50035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360183721152E+03 0.45187E+00 -0.18383E-01 8448 0.234E+01 0.416E-01 RMM: 2 -0.360193198896E+03 -0.94777E-02 -0.75736E-02 5538 0.586E-01 0.957E-01 RMM: 3 -0.360187250602E+03 0.59483E-02 -0.66101E-03 5365 0.183E-01 0.344E-01 RMM: 4 -0.360188429642E+03 -0.11790E-02 -0.26253E-03 4820 0.127E-01 0.558E-01 RMM: 5 -0.360186560256E+03 0.18694E-02 -0.13090E-03 4608 0.971E-02 0.212E-01 RMM: 6 -0.360186345595E+03 0.21466E-03 -0.31361E-04 3934 0.453E-02 0.127E-01 RMM: 7 -0.360186367411E+03 -0.21816E-04 -0.18803E-04 3876 0.401E-02 0.148E-01 RMM: 8 -0.360186222669E+03 0.14474E-03 -0.87095E-05 3633 0.275E-02 0.428E-02 RMM: 9 -0.360186233173E+03 -0.10504E-04 -0.26745E-05 2779 0.148E-02 937 T= 6433. E= 0.69408952E+03 F= 0.64087111E+03 E0= 0.67122332E+03 EK= 0.53218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359789935389E+03 0.39629E+00 -0.18602E-01 8232 0.242E+01 0.336E-01 RMM: 2 -0.359803332882E+03 -0.13397E-01 -0.79034E-02 5384 0.606E-01 0.114E+00 RMM: 3 -0.359794424829E+03 0.89081E-02 -0.68550E-03 5390 0.182E-01 0.229E-01 RMM: 4 -0.359795214898E+03 -0.79007E-03 -0.19111E-03 4697 0.108E-01 0.437E-01 RMM: 5 -0.359794062129E+03 0.11528E-02 -0.10360E-03 4608 0.891E-02 0.157E-01 RMM: 6 -0.359793973693E+03 0.88435E-04 -0.23929E-04 3893 0.399E-02 0.114E-01 RMM: 7 -0.359793964156E+03 0.95374E-05 -0.12252E-04 3853 0.336E-02 938 T= 6866. E= 0.69762480E+03 F= 0.64082690E+03 E0= 0.67117425E+03 EK= 0.56798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359400962979E+03 0.39301E+00 -0.19428E-01 8196 0.249E+01 0.405E-01 RMM: 2 -0.359411686449E+03 -0.10723E-01 -0.90463E-02 5312 0.683E-01 0.943E-01 RMM: 3 -0.359405881801E+03 0.58046E-02 -0.83225E-03 5438 0.200E-01 0.309E-01 RMM: 4 -0.359406875476E+03 -0.99368E-03 -0.24561E-03 4864 0.125E-01 0.529E-01 RMM: 5 -0.359405237561E+03 0.16379E-02 -0.16156E-03 4615 0.110E-01 0.204E-01 RMM: 6 -0.359405165037E+03 0.72524E-04 -0.42718E-04 4275 0.534E-02 0.189E-01 RMM: 7 -0.359405039562E+03 0.12547E-03 -0.30351E-04 4131 0.525E-02 0.148E-01 RMM: 8 -0.359404904781E+03 0.13478E-03 -0.94208E-05 3674 0.280E-02 0.484E-02 RMM: 9 -0.359404919043E+03 -0.14262E-04 -0.40005E-05 3069 0.184E-02 939 T= 7178. E= 0.70017084E+03 F= 0.64078889E+03 E0= 0.67113267E+03 EK= 0.59382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358953765689E+03 0.45114E+00 -0.19668E-01 7872 0.252E+01 0.313E-01 RMM: 2 -0.358966692877E+03 -0.12927E-01 -0.89814E-02 5291 0.671E-01 0.102E+00 RMM: 3 -0.358959649001E+03 0.70439E-02 -0.77704E-03 5529 0.184E-01 0.220E-01 RMM: 4 -0.358960091748E+03 -0.44275E-03 -0.15120E-03 4666 0.969E-02 0.375E-01 RMM: 5 -0.358959243261E+03 0.84849E-03 -0.99146E-04 4608 0.878E-02 0.145E-01 RMM: 6 -0.358959251128E+03 -0.78674E-05 -0.30296E-04 3900 0.450E-02 0.155E-01 RMM: 7 -0.358959162926E+03 0.88202E-04 -0.13784E-04 3877 0.366E-02 0.112E-01 RMM: 8 -0.358959084151E+03 0.78775E-04 -0.37478E-05 3075 0.185E-02 0.331E-02 RMM: 9 -0.358959084568E+03 -0.41699E-06 -0.12513E-05 2482 0.105E-02 940 T= 7225. E= 0.70057840E+03 F= 0.64081100E+03 E0= 0.67115208E+03 EK= 0.59767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358424040515E+03 0.53504E+00 -0.19373E-01 7980 0.250E+01 0.408E-01 RMM: 2 -0.358434950192E+03 -0.10910E-01 -0.92306E-02 5321 0.672E-01 0.948E-01 RMM: 3 -0.358428952349E+03 0.59978E-02 -0.78739E-03 5415 0.193E-01 0.307E-01 RMM: 4 -0.358430152780E+03 -0.12004E-02 -0.26907E-03 4911 0.131E-01 0.550E-01 RMM: 5 -0.358428336129E+03 0.18167E-02 -0.14042E-03 4608 0.101E-01 0.210E-01 RMM: 6 -0.358428157198E+03 0.17893E-03 -0.36555E-04 3982 0.494E-02 0.143E-01 RMM: 7 -0.358428148027E+03 0.91708E-05 -0.20569E-04 3892 0.434E-02 0.148E-01 RMM: 8 -0.358428006724E+03 0.14130E-03 -0.71961E-05 3529 0.251E-02 0.432E-02 RMM: 9 -0.358428011602E+03 -0.48771E-05 -0.25127E-05 2720 0.146E-02 941 T= 6980. E= 0.69865982E+03 F= 0.64091357E+03 E0= 0.67125025E+03 EK= 0.57746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357826833890E+03 0.60117E+00 -0.18034E-01 7872 0.243E+01 0.405E-01 RMM: 2 -0.357839874564E+03 -0.13041E-01 -0.87248E-02 5347 0.642E-01 0.112E+00 RMM: 3 -0.357831251176E+03 0.86234E-02 -0.79745E-03 5381 0.197E-01 0.281E-01 RMM: 4 -0.357832771640E+03 -0.15205E-02 -0.24708E-03 4944 0.122E-01 0.575E-01 RMM: 5 -0.357830701896E+03 0.20697E-02 -0.12089E-03 4609 0.944E-02 0.168E-01 RMM: 6 -0.357830601383E+03 0.10051E-03 -0.26322E-04 3898 0.411E-02 0.125E-01 RMM: 7 -0.357830597069E+03 0.43142E-05 -0.14916E-04 3895 0.357E-02 942 T= 6560. E= 0.69534157E+03 F= 0.64107044E+03 E0= 0.67139924E+03 EK= 0.54271E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357218628125E+03 0.61197E+00 -0.17267E-01 8052 0.235E+01 0.482E-01 RMM: 2 -0.357226678602E+03 -0.80505E-02 -0.84954E-02 5380 0.625E-01 0.846E-01 RMM: 3 -0.357222372710E+03 0.43059E-02 -0.77896E-03 5362 0.199E-01 0.461E-01 RMM: 4 -0.357223979697E+03 -0.16070E-02 -0.33817E-03 4857 0.146E-01 0.691E-01 RMM: 5 -0.357220937792E+03 0.30419E-02 -0.17697E-03 4612 0.112E-01 0.175E-01 RMM: 6 -0.357220865428E+03 0.72365E-04 -0.37043E-04 4020 0.490E-02 0.156E-01 RMM: 7 -0.357220852029E+03 0.13399E-04 -0.17782E-04 3890 0.388E-02 943 T= 6138. E= 0.69200266E+03 F= 0.64122378E+03 E0= 0.67154033E+03 EK= 0.50779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356655796304E+03 0.56507E+00 -0.16453E-01 8388 0.227E+01 0.467E-01 RMM: 2 -0.356668803597E+03 -0.13007E-01 -0.85770E-02 5313 0.634E-01 0.120E+00 RMM: 3 -0.356659333945E+03 0.94697E-02 -0.90268E-03 5365 0.217E-01 0.354E-01 RMM: 4 -0.356661246863E+03 -0.19129E-02 -0.30593E-03 5044 0.133E-01 0.661E-01 RMM: 5 -0.356658642992E+03 0.26039E-02 -0.14536E-03 4609 0.103E-01 0.227E-01 RMM: 6 -0.356658321349E+03 0.32164E-03 -0.36761E-04 3990 0.494E-02 0.878E-02 RMM: 7 -0.356658415475E+03 -0.94126E-04 -0.13280E-04 3890 0.321E-02 0.157E-01 RMM: 8 -0.356658257299E+03 0.15818E-03 -0.59410E-05 3434 0.230E-02 0.456E-02 RMM: 9 -0.356658255577E+03 0.17217E-05 -0.25137E-05 2735 0.142E-02 944 T= 5855. E= 0.68975187E+03 F= 0.64131520E+03 E0= 0.67161693E+03 EK= 0.48437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356183221111E+03 0.47504E+00 -0.16252E-01 8472 0.224E+01 0.411E-01 RMM: 2 -0.356192955189E+03 -0.97341E-02 -0.87005E-02 5330 0.605E-01 0.884E-01 RMM: 3 -0.356187527859E+03 0.54273E-02 -0.78407E-03 5383 0.201E-01 0.358E-01 RMM: 4 -0.356188973400E+03 -0.14455E-02 -0.23766E-03 5059 0.120E-01 0.599E-01 RMM: 5 -0.356186640106E+03 0.23333E-02 -0.11025E-03 4605 0.894E-02 0.130E-01 RMM: 6 -0.356186600419E+03 0.39687E-04 -0.23331E-04 3903 0.389E-02 0.115E-01 RMM: 7 -0.356186584831E+03 0.15587E-04 -0.80572E-05 3660 0.269E-02 945 T= 5786. E= 0.68917520E+03 F= 0.64130669E+03 E0= 0.67159220E+03 EK= 0.47869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355815083019E+03 0.37152E+00 -0.16627E-01 8880 0.224E+01 0.471E-01 RMM: 2 -0.355825468183E+03 -0.10385E-01 -0.90836E-02 5355 0.628E-01 0.973E-01 RMM: 3 -0.355819214700E+03 0.62535E-02 -0.82785E-03 5392 0.202E-01 0.387E-01 RMM: 4 -0.355821129875E+03 -0.19152E-02 -0.31487E-03 4950 0.140E-01 0.682E-01 RMM: 5 -0.355818227410E+03 0.29025E-02 -0.16044E-03 4612 0.107E-01 0.208E-01 RMM: 6 -0.355818025669E+03 0.20174E-03 -0.36671E-04 3988 0.486E-02 0.129E-01 RMM: 7 -0.355818037403E+03 -0.11734E-04 -0.18192E-04 3885 0.398E-02 946 T= 5948. E= 0.69039646E+03 F= 0.64119451E+03 E0= 0.67146508E+03 EK= 0.49202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355523592785E+03 0.29443E+00 -0.18379E-01 8868 0.228E+01 0.412E-01 RMM: 2 -0.355535188148E+03 -0.11595E-01 -0.10643E-01 5263 0.666E-01 0.856E-01 RMM: 3 -0.355529737248E+03 0.54509E-02 -0.90478E-03 5399 0.209E-01 0.339E-01 RMM: 4 -0.355531161519E+03 -0.14243E-02 -0.26750E-03 5044 0.131E-01 0.593E-01 RMM: 5 -0.355528965955E+03 0.21956E-02 -0.12088E-03 4608 0.927E-02 0.174E-01 RMM: 6 -0.355528890851E+03 0.75104E-04 -0.37541E-04 4017 0.493E-02 0.151E-01 RMM: 7 -0.355528808624E+03 0.82227E-04 -0.17997E-04 3886 0.413E-02 0.118E-01 RMM: 8 -0.355528726354E+03 0.82269E-04 -0.43250E-05 3167 0.200E-02 0.425E-02 RMM: 9 -0.355528740530E+03 -0.14176E-04 -0.30876E-05 2851 0.157E-02 947 T= 6299. E= 0.69311649E+03 F= 0.64101050E+03 E0= 0.67126843E+03 EK= 0.52106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355254882732E+03 0.27384E+00 -0.20969E-01 9000 0.235E+01 0.330E-01 RMM: 2 -0.355271825551E+03 -0.16943E-01 -0.12359E-01 5304 0.722E-01 0.107E+00 RMM: 3 -0.355263206119E+03 0.86194E-02 -0.96163E-03 5472 0.205E-01 0.213E-01 RMM: 4 -0.355264050954E+03 -0.84483E-03 -0.19411E-03 4806 0.108E-01 0.453E-01 RMM: 5 -0.355262829862E+03 0.12211E-02 -0.10202E-03 4607 0.877E-02 0.155E-01 RMM: 6 -0.355262789365E+03 0.40497E-04 -0.30081E-04 3896 0.442E-02 0.141E-01 RMM: 7 -0.355262735153E+03 0.54212E-04 -0.14423E-04 3863 0.374E-02 0.114E-01 RMM: 8 -0.355262650913E+03 0.84240E-04 -0.40209E-05 3145 0.191E-02 0.284E-02 RMM: 9 -0.355262652240E+03 -0.13263E-05 -0.11662E-05 2473 0.103E-02 948 T= 6736. E= 0.69653765E+03 F= 0.64081519E+03 E0= 0.67106465E+03 EK= 0.55722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354937945207E+03 0.32471E+00 -0.23845E-01 9000 0.242E+01 0.385E-01 RMM: 2 -0.354952517024E+03 -0.14572E-01 -0.13838E-01 5412 0.760E-01 0.811E-01 RMM: 3 -0.354947215802E+03 0.53012E-02 -0.97592E-03 5470 0.204E-01 0.310E-01 RMM: 4 -0.354948240307E+03 -0.10245E-02 -0.27102E-03 4909 0.134E-01 0.534E-01 RMM: 5 -0.354946447126E+03 0.17932E-02 -0.14326E-03 4608 0.101E-01 0.160E-01 RMM: 6 -0.354946519074E+03 -0.71948E-04 -0.39128E-04 4062 0.504E-02 0.204E-01 RMM: 7 -0.354946305590E+03 0.21348E-03 -0.26144E-04 3931 0.498E-02 0.116E-01 RMM: 8 -0.354946229318E+03 0.76273E-04 -0.53778E-05 3325 0.217E-02 0.471E-02 RMM: 9 -0.354946235526E+03 -0.62088E-05 -0.36894E-05 2858 0.179E-02 949 T= 7097. E= 0.69939343E+03 F= 0.64068162E+03 E0= 0.67092921E+03 EK= 0.58712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354510394161E+03 0.43584E+00 -0.27239E-01 8904 0.246E+01 0.355E-01 RMM: 2 -0.354529735598E+03 -0.19341E-01 -0.15687E-01 5423 0.824E-01 0.103E+00 RMM: 3 -0.354521762369E+03 0.79732E-02 -0.11331E-02 5726 0.212E-01 0.257E-01 RMM: 4 -0.354522153160E+03 -0.39079E-03 -0.19872E-03 4855 0.111E-01 0.411E-01 RMM: 5 -0.354521247678E+03 0.90548E-03 -0.13152E-03 4608 0.995E-02 0.209E-01 RMM: 6 -0.354521152879E+03 0.94799E-04 -0.44016E-04 4275 0.536E-02 0.176E-01 RMM: 7 -0.354521076339E+03 0.76540E-04 -0.22950E-04 3886 0.451E-02 0.149E-01 RMM: 8 -0.354520936974E+03 0.13937E-03 -0.76506E-05 3539 0.260E-02 0.423E-02 RMM: 9 -0.354520942002E+03 -0.50276E-05 -0.22706E-05 2603 0.141E-02 950 T= 7222. E= 0.70041195E+03 F= 0.64066311E+03 E0= 0.67091325E+03 EK= 0.59749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353970841286E+03 0.55010E+00 -0.29118E-01 8736 0.245E+01 0.394E-01 RMM: 2 -0.353986961729E+03 -0.16120E-01 -0.15954E-01 5737 0.801E-01 0.775E-01 RMM: 3 -0.353982157763E+03 0.48040E-02 -0.91062E-03 5402 0.206E-01 0.339E-01 RMM: 4 -0.353983228293E+03 -0.10705E-02 -0.25997E-03 5051 0.129E-01 0.539E-01 RMM: 5 -0.353981341756E+03 0.18865E-02 -0.12025E-03 4607 0.913E-02 0.163E-01 RMM: 6 -0.353981334673E+03 0.70826E-05 -0.37068E-04 4045 0.490E-02 0.169E-01 RMM: 7 -0.353981251504E+03 0.83170E-04 -0.17712E-04 3882 0.396E-02 0.138E-01 RMM: 8 -0.353981133078E+03 0.11843E-03 -0.63451E-05 3444 0.234E-02 0.407E-02 RMM: 9 -0.353981141771E+03 -0.86931E-05 -0.23705E-05 2641 0.141E-02 951 T= 7053. E= 0.69910082E+03 F= 0.64075730E+03 E0= 0.67101477E+03 EK= 0.58344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353367093654E+03 0.61404E+00 -0.29767E-01 8724 0.240E+01 0.431E-01 RMM: 2 -0.353388819541E+03 -0.21726E-01 -0.16318E-01 5539 0.820E-01 0.122E+00 RMM: 3 -0.353377880849E+03 0.10939E-01 -0.10851E-02 5398 0.226E-01 0.293E-01 RMM: 4 -0.353379394540E+03 -0.15137E-02 -0.31272E-03 5192 0.137E-01 0.585E-01 RMM: 5 -0.353377367304E+03 0.20272E-02 -0.13437E-03 4612 0.978E-02 0.215E-01 RMM: 6 -0.353377145607E+03 0.22170E-03 -0.34509E-04 3961 0.473E-02 0.125E-01 RMM: 7 -0.353377166159E+03 -0.20552E-04 -0.17444E-04 3876 0.383E-02 0.145E-01 RMM: 8 -0.353377030697E+03 0.13546E-03 -0.75791E-05 3544 0.258E-02 0.380E-02 RMM: 9 -0.353377036917E+03 -0.62194E-05 -0.20264E-05 2583 0.129E-02 952 T= 6673. E= 0.69611106E+03 F= 0.64090614E+03 E0= 0.67117245E+03 EK= 0.55205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352781908177E+03 0.59512E+00 -0.28384E-01 8664 0.232E+01 0.462E-01 RMM: 2 -0.352799144323E+03 -0.17236E-01 -0.15490E-01 5625 0.787E-01 0.101E+00 RMM: 3 -0.352791607685E+03 0.75366E-02 -0.10480E-02 5371 0.224E-01 0.390E-01 RMM: 4 -0.352793333270E+03 -0.17256E-02 -0.33333E-03 5120 0.142E-01 0.656E-01 RMM: 5 -0.352790572545E+03 0.27607E-02 -0.15242E-03 4614 0.103E-01 0.174E-01 RMM: 6 -0.352790472267E+03 0.10028E-03 -0.31478E-04 3939 0.449E-02 0.136E-01 RMM: 7 -0.352790480553E+03 -0.82859E-05 -0.14527E-04 3883 0.338E-02 953 T= 6251. E= 0.69273943E+03 F= 0.64102281E+03 E0= 0.67129785E+03 EK= 0.51717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352287824779E+03 0.50265E+00 -0.27030E-01 8748 0.225E+01 0.511E-01 RMM: 2 -0.352304364335E+03 -0.16540E-01 -0.14805E-01 5516 0.774E-01 0.107E+00 RMM: 3 -0.352296433301E+03 0.79310E-02 -0.10679E-02 5371 0.227E-01 0.438E-01 RMM: 4 -0.352298285584E+03 -0.18523E-02 -0.37062E-03 5124 0.149E-01 0.698E-01 RMM: 5 -0.352295122092E+03 0.31635E-02 -0.18778E-03 4620 0.115E-01 0.201E-01 RMM: 6 -0.352294990340E+03 0.13175E-03 -0.41787E-04 4133 0.514E-02 0.157E-01 RMM: 7 -0.352295019596E+03 -0.29256E-04 -0.21533E-04 3888 0.406E-02 0.178E-01 RMM: 8 -0.352294811913E+03 0.20768E-03 -0.11561E-04 3809 0.310E-02 0.479E-02 RMM: 9 -0.352294824284E+03 -0.12371E-04 -0.32107E-05 2937 0.158E-02 954 T= 5939. E= 0.69016803E+03 F= 0.64103375E+03 E0= 0.67131332E+03 EK= 0.49134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351933113726E+03 0.36170E+00 -0.26622E-01 8760 0.221E+01 0.429E-01 RMM: 2 -0.351950026492E+03 -0.16913E-01 -0.14220E-01 5544 0.741E-01 0.103E+00 RMM: 3 -0.351941971166E+03 0.80553E-02 -0.96181E-03 5372 0.217E-01 0.360E-01 RMM: 4 -0.351943335349E+03 -0.13642E-02 -0.29689E-03 5187 0.133E-01 0.587E-01 RMM: 5 -0.351941147815E+03 0.21875E-02 -0.13609E-03 4612 0.989E-02 0.186E-01 RMM: 6 -0.351940975774E+03 0.17204E-03 -0.30627E-04 3946 0.449E-02 0.105E-01 RMM: 7 -0.351941029193E+03 -0.53420E-04 -0.12431E-04 3876 0.307E-02 0.143E-01 RMM: 8 -0.351940898290E+03 0.13090E-03 -0.55545E-05 3372 0.221E-02 0.376E-02 RMM: 9 -0.351940895981E+03 0.23090E-05 -0.13677E-05 2508 0.104E-02 955 T= 5826. E= 0.68908825E+03 F= 0.64089277E+03 E0= 0.67117356E+03 EK= 0.48195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351746657697E+03 0.19424E+00 -0.28034E-01 8988 0.221E+01 0.485E-01 RMM: 2 -0.351769491077E+03 -0.22833E-01 -0.14981E-01 5404 0.781E-01 0.142E+00 RMM: 3 -0.351755523983E+03 0.13967E-01 -0.12428E-02 5375 0.246E-01 0.362E-01 RMM: 4 -0.351757034772E+03 -0.15108E-02 -0.36784E-03 5165 0.147E-01 0.618E-01 RMM: 5 -0.351754845015E+03 0.21898E-02 -0.15485E-03 4613 0.104E-01 0.274E-01 RMM: 6 -0.351754428095E+03 0.41692E-03 -0.45353E-04 4297 0.540E-02 0.128E-01 RMM: 7 -0.351754508566E+03 -0.80471E-04 -0.22233E-04 3895 0.409E-02 0.177E-01 RMM: 8 -0.351754305509E+03 0.20306E-03 -0.10825E-04 3781 0.307E-02 0.473E-02 RMM: 9 -0.351754307267E+03 -0.17572E-05 -0.27690E-05 2849 0.151E-02 956 T= 5938. E= 0.68970745E+03 F= 0.64058206E+03 E0= 0.67086032E+03 EK= 0.49125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351727965433E+03 0.26340E-01 -0.30853E-01 8976 0.225E+01 0.444E-01 RMM: 2 -0.351753699499E+03 -0.25734E-01 -0.15470E-01 5533 0.771E-01 0.148E+00 RMM: 3 -0.351737932088E+03 0.15767E-01 -0.12137E-02 5365 0.240E-01 0.352E-01 RMM: 4 -0.351738678725E+03 -0.74664E-03 -0.32323E-03 5237 0.137E-01 0.509E-01 RMM: 5 -0.351737259652E+03 0.14191E-02 -0.15039E-03 4613 0.104E-01 0.261E-01 RMM: 6 -0.351736910457E+03 0.34920E-03 -0.42031E-04 4207 0.527E-02 0.131E-01 RMM: 7 -0.351736985483E+03 -0.75027E-04 -0.23389E-04 3884 0.424E-02 0.176E-01 RMM: 8 -0.351736788159E+03 0.19732E-03 -0.11041E-04 3782 0.311E-02 0.485E-02 RMM: 9 -0.351736786316E+03 0.18430E-05 -0.18937E-05 2562 0.126E-02 957 T= 6249. E= 0.69180559E+03 F= 0.64010784E+03 E0= 0.67038024E+03 EK= 0.51698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351852366604E+03 -0.11558E+00 -0.34923E-01 9048 0.232E+01 0.430E-01 RMM: 2 -0.351881455591E+03 -0.29089E-01 -0.17282E-01 5527 0.818E-01 0.156E+00 RMM: 3 -0.351864116777E+03 0.17339E-01 -0.12922E-02 5380 0.247E-01 0.333E-01 RMM: 4 -0.351864602556E+03 -0.48578E-03 -0.28627E-03 5252 0.127E-01 0.464E-01 RMM: 5 -0.351863470466E+03 0.11321E-02 -0.14595E-03 4609 0.103E-01 0.257E-01 RMM: 6 -0.351863182093E+03 0.28837E-03 -0.50787E-04 4509 0.570E-02 0.158E-01 RMM: 7 -0.351863194228E+03 -0.12135E-04 -0.25013E-04 3891 0.450E-02 0.172E-01 RMM: 8 -0.351863007431E+03 0.18680E-03 -0.90692E-05 3626 0.286E-02 0.450E-02 RMM: 9 -0.351863013620E+03 -0.61885E-05 -0.24918E-05 2681 0.143E-02 958 T= 6671. E= 0.69468347E+03 F= 0.63950047E+03 E0= 0.66976444E+03 EK= 0.55183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352061320936E+03 -0.19831E+00 -0.40590E-01 9000 0.239E+01 0.395E-01 RMM: 2 -0.352088156605E+03 -0.26836E-01 -0.19075E-01 5649 0.846E-01 0.129E+00 RMM: 3 -0.352075259940E+03 0.12897E-01 -0.12359E-02 5384 0.237E-01 0.336E-01 RMM: 4 -0.352075382767E+03 -0.12283E-03 -0.25131E-03 5059 0.119E-01 0.405E-01 RMM: 5 -0.352074534219E+03 0.84855E-03 -0.16092E-03 4617 0.110E-01 0.245E-01 RMM: 6 -0.352074343527E+03 0.19069E-03 -0.49713E-04 4506 0.568E-02 0.179E-01 RMM: 7 -0.352074258929E+03 0.84597E-04 -0.27954E-04 3906 0.484E-02 0.152E-01 RMM: 8 -0.352074117788E+03 0.14114E-03 -0.80957E-05 3572 0.272E-02 0.490E-02 RMM: 9 -0.352074122603E+03 -0.48151E-05 -0.27999E-05 2757 0.153E-02 959 T= 7052. E= 0.69715879E+03 F= 0.63881896E+03 E0= 0.66907227E+03 EK= 0.58340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352273333527E+03 -0.19922E+00 -0.46663E-01 8868 0.244E+01 0.397E-01 RMM: 2 -0.352301232574E+03 -0.27899E-01 -0.20690E-01 5710 0.883E-01 0.128E+00 RMM: 3 -0.352288534217E+03 0.12698E-01 -0.12337E-02 5393 0.239E-01 0.317E-01 RMM: 4 -0.352288907384E+03 -0.37317E-03 -0.24681E-03 5104 0.119E-01 0.436E-01 RMM: 5 -0.352287858324E+03 0.10491E-02 -0.15497E-03 4608 0.107E-01 0.234E-01 RMM: 6 -0.352287760966E+03 0.97358E-04 -0.57365E-04 4568 0.607E-02 0.205E-01 RMM: 7 -0.352287647664E+03 0.11330E-03 -0.30687E-04 3960 0.501E-02 0.165E-01 RMM: 8 -0.352287477437E+03 0.17023E-03 -0.10431E-04 3787 0.301E-02 0.522E-02 RMM: 9 -0.352287477985E+03 -0.54735E-06 -0.30787E-05 2901 0.160E-02 960 T= 7227. E= 0.69793145E+03 F= 0.63814111E+03 E0= 0.66838230E+03 EK= 0.59790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352409897987E+03 -0.12242E+00 -0.50958E-01 8784 0.245E+01 0.419E-01 RMM: 2 -0.352439854796E+03 -0.29957E-01 -0.21221E-01 5730 0.894E-01 0.137E+00 RMM: 3 -0.352425414219E+03 0.14441E-01 -0.12705E-02 5380 0.243E-01 0.315E-01 RMM: 4 -0.352426053470E+03 -0.63925E-03 -0.30272E-03 5244 0.132E-01 0.489E-01 RMM: 5 -0.352424724147E+03 0.13293E-02 -0.16887E-03 4628 0.112E-01 0.225E-01 RMM: 6 -0.352424594300E+03 0.12985E-03 -0.46145E-04 4424 0.545E-02 0.183E-01 RMM: 7 -0.352424508616E+03 0.85684E-04 -0.28121E-04 3912 0.485E-02 0.156E-01 RMM: 8 -0.352424359505E+03 0.14911E-03 -0.89723E-05 3635 0.284E-02 0.503E-02 RMM: 9 -0.352424362379E+03 -0.28739E-05 -0.23938E-05 2609 0.142E-02 961 T= 7109. E= 0.69634492E+03 F= 0.63753743E+03 E0= 0.66776626E+03 EK= 0.58807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352429415786E+03 -0.50563E-02 -0.51582E-01 8760 0.241E+01 0.435E-01 RMM: 2 -0.352452728037E+03 -0.23312E-01 -0.20539E-01 5897 0.880E-01 0.103E+00 RMM: 3 -0.352444465182E+03 0.82629E-02 -0.11628E-02 5390 0.238E-01 0.355E-01 RMM: 4 -0.352445771670E+03 -0.13065E-02 -0.31164E-03 5250 0.136E-01 0.593E-01 RMM: 5 -0.352443642302E+03 0.21294E-02 -0.15761E-03 4618 0.107E-01 0.221E-01 RMM: 6 -0.352443463304E+03 0.17900E-03 -0.45369E-04 4405 0.544E-02 0.156E-01 RMM: 7 -0.352443459356E+03 0.39487E-05 -0.21694E-04 3887 0.422E-02 0.163E-01 RMM: 8 -0.352443287765E+03 0.17159E-03 -0.90308E-05 3659 0.282E-02 0.459E-02 RMM: 9 -0.352443292810E+03 -0.50447E-05 -0.28314E-05 2825 0.153E-02 962 T= 6750. E= 0.69288501E+03 F= 0.63704068E+03 E0= 0.66725900E+03 EK= 0.55844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352340745268E+03 0.10254E+00 -0.46842E-01 8688 0.234E+01 0.485E-01 RMM: 2 -0.352367250076E+03 -0.26505E-01 -0.19353E-01 5776 0.851E-01 0.136E+00 RMM: 3 -0.352353411543E+03 0.13839E-01 -0.12099E-02 5373 0.245E-01 0.357E-01 RMM: 4 -0.352355177018E+03 -0.17655E-02 -0.40136E-03 5194 0.154E-01 0.652E-01 RMM: 5 -0.352352620187E+03 0.25568E-02 -0.17285E-03 4616 0.112E-01 0.234E-01 RMM: 6 -0.352352342872E+03 0.27731E-03 -0.37414E-04 4147 0.491E-02 0.126E-01 RMM: 7 -0.352352352113E+03 -0.92406E-05 -0.17438E-04 3885 0.378E-02 963 T= 6309. E= 0.68883277E+03 F= 0.63663656E+03 E0= 0.66684910E+03 EK= 0.52196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352187001510E+03 0.16534E+00 -0.39982E-01 8832 0.227E+01 0.547E-01 RMM: 2 -0.352206526392E+03 -0.19525E-01 -0.17309E-01 5926 0.803E-01 0.113E+00 RMM: 3 -0.352197495935E+03 0.90305E-02 -0.11015E-02 5379 0.236E-01 0.457E-01 RMM: 4 -0.352199660464E+03 -0.21645E-02 -0.43511E-03 5139 0.164E-01 0.753E-01 RMM: 5 -0.352196146520E+03 0.35139E-02 -0.19783E-03 4610 0.119E-01 0.228E-01 RMM: 6 -0.352195928878E+03 0.21764E-03 -0.45528E-04 4420 0.537E-02 0.155E-01 RMM: 7 -0.352195918931E+03 0.99469E-05 -0.21207E-04 3888 0.403E-02 0.165E-01 RMM: 8 -0.352195749583E+03 0.16935E-03 -0.99502E-05 3716 0.294E-02 0.528E-02 RMM: 9 -0.352195763585E+03 -0.14002E-04 -0.39518E-05 3070 0.174E-02 964 T= 5947. E= 0.68547662E+03 F= 0.63627948E+03 E0= 0.66649120E+03 EK= 0.49197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352020738973E+03 0.17501E+00 -0.32321E-01 8880 0.222E+01 0.469E-01 RMM: 2 -0.352042129371E+03 -0.21390E-01 -0.15504E-01 5544 0.778E-01 0.128E+00 RMM: 3 -0.352030175004E+03 0.11954E-01 -0.11145E-02 5381 0.236E-01 0.351E-01 RMM: 4 -0.352032181481E+03 -0.20065E-02 -0.36390E-03 5146 0.147E-01 0.665E-01 RMM: 5 -0.352029531662E+03 0.26498E-02 -0.14640E-03 4613 0.102E-01 0.231E-01 RMM: 6 -0.352029215113E+03 0.31655E-03 -0.34395E-04 4020 0.475E-02 0.927E-02 RMM: 7 -0.352029292117E+03 -0.77004E-04 -0.13357E-04 3867 0.311E-02 0.147E-01 RMM: 8 -0.352029148703E+03 0.14341E-03 -0.65764E-05 3458 0.244E-02 0.346E-02 RMM: 9 -0.352029149497E+03 -0.79341E-06 -0.14621E-05 2515 0.109E-02 965 T= 5768. E= 0.68363555E+03 F= 0.63591804E+03 E0= 0.66613687E+03 EK= 0.47718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351889006252E+03 0.14014E+00 -0.25737E-01 8880 0.222E+01 0.509E-01 RMM: 2 -0.351905974233E+03 -0.16968E-01 -0.12873E-01 5657 0.712E-01 0.122E+00 RMM: 3 -0.351895823463E+03 0.10151E-01 -0.98334E-03 5372 0.224E-01 0.397E-01 RMM: 4 -0.351898076364E+03 -0.22529E-02 -0.39725E-03 5024 0.156E-01 0.718E-01 RMM: 5 -0.351894903074E+03 0.31733E-02 -0.17552E-03 4608 0.112E-01 0.245E-01 RMM: 6 -0.351894569550E+03 0.33352E-03 -0.39592E-04 4157 0.504E-02 0.119E-01 RMM: 7 -0.351894607614E+03 -0.38065E-04 -0.18139E-04 3884 0.384E-02 0.156E-01 RMM: 8 -0.351894452597E+03 0.15502E-03 -0.83994E-05 3605 0.271E-02 0.417E-02 RMM: 9 -0.351894468113E+03 -0.15515E-04 -0.29290E-05 2860 0.154E-02 966 T= 5815. E= 0.68362727E+03 F= 0.63551876E+03 E0= 0.66575321E+03 EK= 0.48109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351798330160E+03 0.96122E-01 -0.21808E-01 8952 0.225E+01 0.454E-01 RMM: 2 -0.351814572164E+03 -0.16242E-01 -0.11776E-01 5373 0.708E-01 0.116E+00 RMM: 3 -0.351805092536E+03 0.94796E-02 -0.96612E-03 5367 0.220E-01 0.367E-01 RMM: 4 -0.351806536190E+03 -0.14437E-02 -0.34244E-03 5083 0.145E-01 0.609E-01 RMM: 5 -0.351804333988E+03 0.22022E-02 -0.16453E-03 4621 0.110E-01 0.234E-01 RMM: 6 -0.351804042569E+03 0.29142E-03 -0.36272E-04 4024 0.489E-02 0.121E-01 RMM: 7 -0.351804078625E+03 -0.36056E-04 -0.19552E-04 3888 0.408E-02 0.153E-01 RMM: 8 -0.351803930067E+03 0.14856E-03 -0.82856E-05 3595 0.272E-02 0.429E-02 RMM: 9 -0.351803935265E+03 -0.51977E-05 -0.20733E-05 2572 0.133E-02 967 T= 6077. E= 0.68535357E+03 F= 0.63507917E+03 E0= 0.66533723E+03 EK= 0.50274E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351720975306E+03 0.82955E-01 -0.20054E-01 9120 0.232E+01 0.423E-01 RMM: 2 -0.351735401549E+03 -0.14426E-01 -0.10395E-01 5365 0.686E-01 0.113E+00 RMM: 3 -0.351726878500E+03 0.85230E-02 -0.88397E-03 5392 0.208E-01 0.319E-01 RMM: 4 -0.351728226665E+03 -0.13482E-02 -0.28941E-03 5073 0.135E-01 0.579E-01 RMM: 5 -0.351726311957E+03 0.19147E-02 -0.16008E-03 4612 0.110E-01 0.239E-01 RMM: 6 -0.351726039887E+03 0.27207E-03 -0.41295E-04 4184 0.524E-02 0.138E-01 RMM: 7 -0.351726012877E+03 0.27010E-04 -0.24922E-04 3890 0.478E-02 0.140E-01 RMM: 8 -0.351725891063E+03 0.12181E-03 -0.77561E-05 3558 0.264E-02 0.452E-02 RMM: 9 -0.351725895659E+03 -0.45957E-05 -0.28003E-05 2798 0.158E-02 968 T= 6484. E= 0.68827884E+03 F= 0.63463837E+03 E0= 0.66492702E+03 EK= 0.53640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351579069584E+03 0.14682E+00 -0.19627E-01 8820 0.241E+01 0.395E-01 RMM: 2 -0.351595772031E+03 -0.16702E-01 -0.10356E-01 5338 0.707E-01 0.124E+00 RMM: 3 -0.351585429684E+03 0.10342E-01 -0.94174E-03 5436 0.212E-01 0.308E-01 RMM: 4 -0.351585985299E+03 -0.55562E-03 -0.26910E-03 5052 0.130E-01 0.465E-01 RMM: 5 -0.351584860395E+03 0.11249E-02 -0.19132E-03 4615 0.123E-01 0.234E-01 RMM: 6 -0.351584667497E+03 0.19290E-03 -0.42856E-04 4167 0.537E-02 0.174E-01 RMM: 7 -0.351584575174E+03 0.92323E-04 -0.34796E-04 4284 0.564E-02 0.150E-01 RMM: 8 -0.351584440615E+03 0.13456E-03 -0.91453E-05 3668 0.279E-02 0.523E-02 RMM: 9 -0.351584439198E+03 0.14165E-05 -0.21689E-05 2578 0.142E-02 969 T= 6901. E= 0.69136610E+03 F= 0.63427481E+03 E0= 0.66459650E+03 EK= 0.57091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351281353801E+03 0.30309E+00 -0.20368E-01 8784 0.247E+01 0.392E-01 RMM: 2 -0.351294191460E+03 -0.12838E-01 -0.10052E-01 5324 0.710E-01 0.102E+00 RMM: 3 -0.351287421658E+03 0.67698E-02 -0.92441E-03 5486 0.207E-01 0.297E-01 RMM: 4 -0.351288229742E+03 -0.80808E-03 -0.23492E-03 4952 0.123E-01 0.496E-01 RMM: 5 -0.351286875350E+03 0.13544E-02 -0.17450E-03 4617 0.117E-01 0.231E-01 RMM: 6 -0.351286707531E+03 0.16782E-03 -0.51223E-04 4501 0.590E-02 0.181E-01 RMM: 7 -0.351286619528E+03 0.88004E-04 -0.32011E-04 4145 0.528E-02 0.159E-01 RMM: 8 -0.351286464344E+03 0.15518E-03 -0.10986E-04 3824 0.306E-02 0.529E-02 RMM: 9 -0.351286463423E+03 0.92048E-06 -0.26622E-05 2751 0.159E-02 970 T= 7157. E= 0.69328605E+03 F= 0.63407849E+03 E0= 0.66443163E+03 EK= 0.59208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350766299670E+03 0.52016E+00 -0.20989E-01 8388 0.250E+01 0.408E-01 RMM: 2 -0.350781425854E+03 -0.15126E-01 -0.98624E-02 5238 0.710E-01 0.119E+00 RMM: 3 -0.350772145842E+03 0.92800E-02 -0.98297E-03 5411 0.217E-01 0.334E-01 RMM: 4 -0.350772753992E+03 -0.60815E-03 -0.27269E-03 5079 0.130E-01 0.487E-01 RMM: 5 -0.350771562370E+03 0.11916E-02 -0.18655E-03 4620 0.121E-01 0.263E-01 RMM: 6 -0.350771225442E+03 0.33693E-03 -0.45638E-04 4347 0.554E-02 0.150E-01 RMM: 7 -0.350771195321E+03 0.30121E-04 -0.31598E-04 4000 0.530E-02 0.154E-01 RMM: 8 -0.350771051253E+03 0.14407E-03 -0.92913E-05 3708 0.291E-02 0.535E-02 RMM: 9 -0.350771047265E+03 0.39883E-05 -0.21864E-05 2581 0.141E-02 971 T= 7130. E= 0.69308852E+03 F= 0.63410297E+03 E0= 0.66447990E+03 EK= 0.58986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350036269612E+03 0.73478E+00 -0.20163E-01 8028 0.247E+01 0.474E-01 RMM: 2 -0.350055493616E+03 -0.19224E-01 -0.99435E-02 5147 0.716E-01 0.149E+00 RMM: 3 -0.350041202481E+03 0.14291E-01 -0.11995E-02 5376 0.251E-01 0.353E-01 RMM: 4 -0.350042557119E+03 -0.13546E-02 -0.34071E-03 5285 0.141E-01 0.593E-01 RMM: 5 -0.350040694493E+03 0.18626E-02 -0.16769E-03 4631 0.113E-01 0.295E-01 RMM: 6 -0.350040183144E+03 0.51135E-03 -0.47819E-04 4411 0.570E-02 0.123E-01 RMM: 7 -0.350040262670E+03 -0.79526E-04 -0.24193E-04 3902 0.429E-02 0.176E-01 RMM: 8 -0.350040072758E+03 0.18991E-03 -0.12507E-04 3860 0.338E-02 0.621E-02 RMM: 9 -0.350040056912E+03 0.15846E-04 -0.23476E-05 2689 0.146E-02 972 T= 6834. E= 0.69087538E+03 F= 0.63433760E+03 E0= 0.66472732E+03 EK= 0.56538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349159885707E+03 0.88019E+00 -0.19027E-01 7800 0.240E+01 0.513E-01 RMM: 2 -0.349177510129E+03 -0.17624E-01 -0.92450E-02 5048 0.694E-01 0.146E+00 RMM: 3 -0.349163649337E+03 0.13861E-01 -0.12257E-02 5369 0.256E-01 0.406E-01 RMM: 4 -0.349165561191E+03 -0.19119E-02 -0.42108E-03 5229 0.160E-01 0.682E-01 RMM: 5 -0.349162895184E+03 0.26660E-02 -0.17780E-03 4635 0.116E-01 0.292E-01 RMM: 6 -0.349162358141E+03 0.53704E-03 -0.38065E-04 4184 0.503E-02 0.935E-02 RMM: 7 -0.349162447112E+03 -0.88971E-04 -0.19174E-04 3891 0.381E-02 0.162E-01 RMM: 8 -0.349162285880E+03 0.16123E-03 -0.83999E-05 3599 0.277E-02 0.525E-02 RMM: 9 -0.349162279164E+03 0.67159E-05 -0.22762E-05 2614 0.138E-02 973 T= 6408. E= 0.68771688E+03 F= 0.63470668E+03 E0= 0.66509660E+03 EK= 0.53010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348235529544E+03 0.92676E+00 -0.17459E-01 7716 0.233E+01 0.535E-01 RMM: 2 -0.348253585787E+03 -0.18056E-01 -0.91087E-02 5051 0.697E-01 0.153E+00 RMM: 3 -0.348238651330E+03 0.14934E-01 -0.13284E-02 5363 0.272E-01 0.392E-01 RMM: 4 -0.348241114535E+03 -0.24632E-02 -0.42928E-03 5234 0.158E-01 0.742E-01 RMM: 5 -0.348237942677E+03 0.31719E-02 -0.18073E-03 4618 0.116E-01 0.286E-01 RMM: 6 -0.348237444808E+03 0.49787E-03 -0.39134E-04 4243 0.509E-02 0.992E-02 RMM: 7 -0.348237539577E+03 -0.94769E-04 -0.17986E-04 3878 0.355E-02 0.164E-01 RMM: 8 -0.348237364841E+03 0.17474E-03 -0.92646E-05 3663 0.290E-02 0.468E-02 RMM: 9 -0.348237360855E+03 0.39860E-05 -0.23712E-05 2698 0.142E-02 974 T= 6021. E= 0.68492200E+03 F= 0.63510820E+03 E0= 0.66548694E+03 EK= 0.49814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347360923507E+03 0.87644E+00 -0.16552E-01 7908 0.227E+01 0.534E-01 RMM: 2 -0.347376757681E+03 -0.15834E-01 -0.72024E-02 5110 0.629E-01 0.148E+00 RMM: 3 -0.347362413851E+03 0.14344E-01 -0.10675E-02 5354 0.246E-01 0.402E-01 RMM: 4 -0.347364754084E+03 -0.23402E-02 -0.44790E-03 5155 0.165E-01 0.729E-01 RMM: 5 -0.347361537854E+03 0.32162E-02 -0.19337E-03 4615 0.121E-01 0.259E-01 RMM: 6 -0.347361125099E+03 0.41275E-03 -0.31240E-04 3970 0.454E-02 0.896E-02 RMM: 7 -0.347361177995E+03 -0.52896E-04 -0.13777E-04 3879 0.327E-02 0.141E-01 RMM: 8 -0.347361053548E+03 0.12445E-03 -0.62573E-05 3433 0.236E-02 0.444E-02 RMM: 9 -0.347361057424E+03 -0.38761E-05 -0.23577E-05 2615 0.139E-02 975 T= 5800. E= 0.68343361E+03 F= 0.63544967E+03 E0= 0.66580827E+03 EK= 0.47984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346601315683E+03 0.75974E+00 -0.16148E-01 7716 0.226E+01 0.501E-01 RMM: 2 -0.346612926768E+03 -0.11611E-01 -0.74218E-02 4990 0.630E-01 0.121E+00 RMM: 3 -0.346603738852E+03 0.91879E-02 -0.10350E-02 5351 0.238E-01 0.414E-01 RMM: 4 -0.346605725264E+03 -0.19864E-02 -0.39038E-03 5191 0.154E-01 0.696E-01 RMM: 5 -0.346602863759E+03 0.28615E-02 -0.17628E-03 4626 0.115E-01 0.268E-01 RMM: 6 -0.346602428159E+03 0.43560E-03 -0.37903E-04 4172 0.503E-02 0.104E-01 RMM: 7 -0.346602509053E+03 -0.80894E-04 -0.17391E-04 3882 0.359E-02 0.160E-01 RMM: 8 -0.346602342988E+03 0.16607E-03 -0.88691E-05 3662 0.285E-02 0.496E-02 RMM: 9 -0.346602336472E+03 0.65153E-05 -0.21572E-05 2636 0.136E-02 976 T= 5805. E= 0.68369034E+03 F= 0.63566999E+03 E0= 0.66600264E+03 EK= 0.48020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345994563719E+03 0.60778E+00 -0.16160E-01 8100 0.228E+01 0.472E-01 RMM: 2 -0.346008386250E+03 -0.13823E-01 -0.64371E-02 5036 0.589E-01 0.136E+00 RMM: 3 -0.345996481018E+03 0.11905E-01 -0.94614E-03 5356 0.230E-01 0.369E-01 RMM: 4 -0.345998394639E+03 -0.19136E-02 -0.36358E-03 5151 0.150E-01 0.666E-01 RMM: 5 -0.345995746040E+03 0.26486E-02 -0.16701E-03 4631 0.113E-01 0.240E-01 RMM: 6 -0.345995422083E+03 0.32396E-03 -0.34973E-04 4088 0.482E-02 0.112E-01 RMM: 7 -0.345995468636E+03 -0.46553E-04 -0.16055E-04 3884 0.368E-02 0.155E-01 RMM: 8 -0.345995318768E+03 0.14987E-03 -0.67705E-05 3467 0.247E-02 0.406E-02 RMM: 9 -0.345995327700E+03 -0.89320E-05 -0.21695E-05 2590 0.135E-02 977 T= 6038. E= 0.68569243E+03 F= 0.63574462E+03 E0= 0.66604749E+03 EK= 0.49948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345533844684E+03 0.46147E+00 -0.17180E-01 8076 0.235E+01 0.437E-01 RMM: 2 -0.345548796439E+03 -0.14952E-01 -0.76719E-02 5022 0.653E-01 0.134E+00 RMM: 3 -0.345537315841E+03 0.11481E-01 -0.10063E-02 5356 0.234E-01 0.318E-01 RMM: 4 -0.345538436584E+03 -0.11207E-02 -0.31093E-03 5209 0.137E-01 0.551E-01 RMM: 5 -0.345536862096E+03 0.15745E-02 -0.16434E-03 4618 0.113E-01 0.276E-01 RMM: 6 -0.345536447011E+03 0.41509E-03 -0.42904E-04 4387 0.535E-02 0.126E-01 RMM: 7 -0.345536483331E+03 -0.36320E-04 -0.21922E-04 3882 0.430E-02 0.158E-01 RMM: 8 -0.345536321953E+03 0.16138E-03 -0.84288E-05 3610 0.281E-02 0.457E-02 RMM: 9 -0.345536320945E+03 0.10080E-05 -0.21222E-05 2592 0.136E-02 978 T= 6443. E= 0.68898982E+03 F= 0.63568491E+03 E0= 0.66595680E+03 EK= 0.53305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345183746980E+03 0.35257E+00 -0.18750E-01 8388 0.243E+01 0.420E-01 RMM: 2 -0.345201749482E+03 -0.18003E-01 -0.80400E-02 5195 0.665E-01 0.145E+00 RMM: 3 -0.345187902674E+03 0.13847E-01 -0.99967E-03 5359 0.231E-01 0.326E-01 RMM: 4 -0.345188598540E+03 -0.69587E-03 -0.27814E-03 5186 0.130E-01 0.493E-01 RMM: 5 -0.345187348306E+03 0.12502E-02 -0.17601E-03 4614 0.118E-01 0.267E-01 RMM: 6 -0.345187005615E+03 0.34269E-03 -0.45587E-04 4397 0.553E-02 0.148E-01 RMM: 7 -0.345186977304E+03 0.28311E-04 -0.27176E-04 3894 0.489E-02 0.153E-01 RMM: 8 -0.345186834354E+03 0.14295E-03 -0.81507E-05 3559 0.277E-02 0.496E-02 RMM: 9 -0.345186835413E+03 -0.10590E-05 -0.22881E-05 2597 0.140E-02 979 T= 6896. E= 0.69258364E+03 F= 0.63553217E+03 E0= 0.66577347E+03 EK= 0.57051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344878590380E+03 0.30824E+00 -0.19833E-01 8208 0.250E+01 0.403E-01 RMM: 2 -0.344895921500E+03 -0.17331E-01 -0.98438E-02 5109 0.738E-01 0.132E+00 RMM: 3 -0.344884586836E+03 0.11335E-01 -0.11543E-02 5392 0.242E-01 0.314E-01 RMM: 4 -0.344884954837E+03 -0.36800E-03 -0.23968E-03 5114 0.119E-01 0.434E-01 RMM: 5 -0.344884035750E+03 0.91909E-03 -0.16572E-03 4613 0.114E-01 0.264E-01 RMM: 6 -0.344883768693E+03 0.26706E-03 -0.55043E-04 4566 0.608E-02 0.176E-01 RMM: 7 -0.344883739556E+03 0.29137E-04 -0.28698E-04 3904 0.488E-02 0.178E-01 RMM: 8 -0.344883539729E+03 0.19983E-03 -0.11136E-04 3760 0.320E-02 0.473E-02 RMM: 9 -0.344883540608E+03 -0.87836E-06 -0.24835E-05 2735 0.148E-02 980 T= 7217. E= 0.69505103E+03 F= 0.63534668E+03 E0= 0.66555985E+03 EK= 0.59704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344559342517E+03 0.32420E+00 -0.20327E-01 8208 0.253E+01 0.412E-01 RMM: 2 -0.344579245584E+03 -0.19903E-01 -0.11317E-01 5088 0.773E-01 0.136E+00 RMM: 3 -0.344566792135E+03 0.12453E-01 -0.13119E-02 5425 0.247E-01 0.346E-01 RMM: 4 -0.344567241425E+03 -0.44929E-03 -0.28171E-03 5237 0.131E-01 0.475E-01 RMM: 5 -0.344566051322E+03 0.11901E-02 -0.18261E-03 4620 0.120E-01 0.257E-01 RMM: 6 -0.344565806554E+03 0.24477E-03 -0.50621E-04 4503 0.576E-02 0.176E-01 RMM: 7 -0.344565695422E+03 0.11113E-03 -0.26377E-04 3893 0.478E-02 0.141E-01 RMM: 8 -0.344565575581E+03 0.11984E-03 -0.73233E-05 3488 0.262E-02 0.482E-02 RMM: 9 -0.344565581678E+03 -0.60969E-05 -0.25109E-05 2652 0.146E-02 981 T= 7254. E= 0.69519297E+03 F= 0.63518147E+03 E0= 0.66536904E+03 EK= 0.60012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344194282738E+03 0.37129E+00 -0.20066E-01 8052 0.250E+01 0.450E-01 RMM: 2 -0.344215400857E+03 -0.21118E-01 -0.13237E-01 4985 0.837E-01 0.139E+00 RMM: 3 -0.344202714150E+03 0.12687E-01 -0.15582E-02 5465 0.267E-01 0.338E-01 RMM: 4 -0.344203569626E+03 -0.85548E-03 -0.30359E-03 5288 0.134E-01 0.539E-01 RMM: 5 -0.344202029940E+03 0.15397E-02 -0.16634E-03 4616 0.113E-01 0.274E-01 RMM: 6 -0.344201675772E+03 0.35417E-03 -0.56099E-04 4556 0.612E-02 0.155E-01 RMM: 7 -0.344201710483E+03 -0.34711E-04 -0.23449E-04 3884 0.430E-02 0.181E-01 RMM: 8 -0.344201497770E+03 0.21271E-03 -0.10453E-04 3706 0.310E-02 0.477E-02 RMM: 9 -0.344201498757E+03 -0.98711E-06 -0.25627E-05 2757 0.147E-02 982 T= 6988. E= 0.69286596E+03 F= 0.63505801E+03 E0= 0.66522301E+03 EK= 0.57808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343802059776E+03 0.39944E+00 -0.18403E-01 8112 0.243E+01 0.494E-01 RMM: 2 -0.343821223186E+03 -0.19163E-01 -0.98551E-02 5178 0.711E-01 0.148E+00 RMM: 3 -0.343806509872E+03 0.14713E-01 -0.12056E-02 5383 0.252E-01 0.364E-01 RMM: 4 -0.343808319169E+03 -0.18093E-02 -0.39157E-03 5176 0.155E-01 0.659E-01 RMM: 5 -0.343805736971E+03 0.25822E-02 -0.17497E-03 4616 0.114E-01 0.252E-01 RMM: 6 -0.343805420759E+03 0.31621E-03 -0.43305E-04 4414 0.531E-02 0.139E-01 RMM: 7 -0.343805423217E+03 -0.24578E-05 -0.18781E-04 3886 0.384E-02 983 T= 6545. E= 0.68909800E+03 F= 0.63495343E+03 E0= 0.66509876E+03 EK= 0.54145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343420109899E+03 0.38531E+00 -0.17552E-01 8208 0.235E+01 0.533E-01 RMM: 2 -0.343431824696E+03 -0.11715E-01 -0.85920E-02 5251 0.660E-01 0.118E+00 RMM: 3 -0.343423055886E+03 0.87688E-02 -0.92971E-03 5401 0.220E-01 0.422E-01 RMM: 4 -0.343425207730E+03 -0.21518E-02 -0.43119E-03 5059 0.165E-01 0.732E-01 RMM: 5 -0.343421916136E+03 0.32916E-02 -0.20193E-03 4624 0.122E-01 0.241E-01 RMM: 6 -0.343421663271E+03 0.25286E-03 -0.47351E-04 4552 0.552E-02 0.158E-01 RMM: 7 -0.343421624007E+03 0.39264E-04 -0.20475E-04 3902 0.403E-02 0.154E-01 RMM: 8 -0.343421475448E+03 0.14856E-03 -0.91045E-05 3613 0.286E-02 0.507E-02 RMM: 9 -0.343421496881E+03 -0.21433E-04 -0.35170E-05 3013 0.162E-02 0.825E-02 RMM: 10 -0.343421456108E+03 0.40773E-04 -0.25578E-05 2593 0.164E-02 0.423E-02 RMM: 11 -0.343421443740E+03 0.12367E-04 -0.86833E-06 2459 0.907E-03 984 T= 6108. E= 0.68534916E+03 F= 0.63481916E+03 E0= 0.66494641E+03 EK= 0.50530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343097272342E+03 0.32418E+00 -0.16894E-01 7800 0.228E+01 0.476E-01 RMM: 2 -0.343108880528E+03 -0.11608E-01 -0.97895E-02 5115 0.713E-01 0.105E+00 RMM: 3 -0.343101852301E+03 0.70282E-02 -0.11391E-02 5422 0.237E-01 0.432E-01 RMM: 4 -0.343103525690E+03 -0.16734E-02 -0.35201E-03 5164 0.149E-01 0.670E-01 RMM: 5 -0.343100830727E+03 0.26950E-02 -0.15472E-03 4621 0.106E-01 0.251E-01 RMM: 6 -0.343100450572E+03 0.38015E-03 -0.39341E-04 4181 0.514E-02 0.926E-02 RMM: 7 -0.343100526148E+03 -0.75576E-04 -0.11977E-04 3850 0.299E-02 0.147E-01 RMM: 8 -0.343100381554E+03 0.14459E-03 -0.55595E-05 3376 0.226E-02 0.307E-02 RMM: 9 -0.343100383545E+03 -0.19914E-05 -0.14601E-05 2517 0.108E-02 985 T= 5820. E= 0.68275244E+03 F= 0.63460571E+03 E0= 0.66471590E+03 EK= 0.48147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342875216605E+03 0.22516E+00 -0.16220E-01 8124 0.225E+01 0.511E-01 RMM: 2 -0.342883477785E+03 -0.82612E-02 -0.86623E-02 5226 0.650E-01 0.902E-01 RMM: 3 -0.342878704932E+03 0.47729E-02 -0.88057E-03 5423 0.204E-01 0.449E-01 RMM: 4 -0.342880571935E+03 -0.18670E-02 -0.32426E-03 5042 0.144E-01 0.722E-01 RMM: 5 -0.342877141126E+03 0.34308E-02 -0.17158E-03 4615 0.111E-01 0.140E-01 RMM: 6 -0.342877243909E+03 -0.10278E-03 -0.37592E-04 4074 0.493E-02 0.198E-01 RMM: 7 -0.342877063164E+03 0.18075E-03 -0.14780E-04 3875 0.363E-02 0.124E-01 RMM: 8 -0.342876964746E+03 0.98418E-04 -0.62891E-05 3413 0.227E-02 0.435E-02 RMM: 9 -0.342876987259E+03 -0.22513E-04 -0.33369E-05 2984 0.162E-02 0.805E-02 RMM: 10 -0.342876945696E+03 0.41562E-04 -0.21614E-05 2574 0.152E-02 0.302E-02 RMM: 11 -0.342876939413E+03 0.62830E-05 -0.53980E-06 2441 0.686E-03 986 T= 5754. E= 0.68188369E+03 F= 0.63428519E+03 E0= 0.66437935E+03 EK= 0.47599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342756672547E+03 0.12027E+00 -0.16279E-01 8256 0.226E+01 0.453E-01 RMM: 2 -0.342763718224E+03 -0.70457E-02 -0.85986E-02 5257 0.645E-01 0.721E-01 RMM: 3 -0.342760816756E+03 0.29015E-02 -0.89115E-03 5419 0.206E-01 0.448E-01 RMM: 4 -0.342762158323E+03 -0.13416E-02 -0.28295E-03 5050 0.137E-01 0.656E-01 RMM: 5 -0.342759346645E+03 0.28117E-02 -0.14784E-03 4616 0.103E-01 0.144E-01 RMM: 6 -0.342759376805E+03 -0.30160E-04 -0.31403E-04 3933 0.450E-02 0.169E-01 RMM: 7 -0.342759230648E+03 0.14616E-03 -0.12989E-04 3873 0.352E-02 0.978E-02 RMM: 8 -0.342759171438E+03 0.59210E-04 -0.34403E-05 3051 0.176E-02 0.369E-02 RMM: 9 -0.342759180085E+03 -0.86471E-05 -0.21838E-05 2568 0.134E-02 987 T= 5921. E= 0.68284510E+03 F= 0.63385928E+03 E0= 0.66393755E+03 EK= 0.48986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342716522309E+03 0.42649E-01 -0.17145E-01 8496 0.231E+01 0.436E-01 RMM: 2 -0.342726751916E+03 -0.10230E-01 -0.94390E-02 5243 0.682E-01 0.903E-01 RMM: 3 -0.342721427907E+03 0.53240E-02 -0.91561E-03 5531 0.199E-01 0.345E-01 RMM: 4 -0.342723009301E+03 -0.15814E-02 -0.30494E-03 5026 0.142E-01 0.631E-01 RMM: 5 -0.342720555595E+03 0.24537E-02 -0.15527E-03 4622 0.107E-01 0.200E-01 RMM: 6 -0.342720413305E+03 0.14229E-03 -0.41155E-04 4118 0.522E-02 0.150E-01 RMM: 7 -0.342720396521E+03 0.16784E-04 -0.18163E-04 3874 0.405E-02 988 T= 6280. E= 0.68531499E+03 F= 0.63336377E+03 E0= 0.66342506E+03 EK= 0.51951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342691333257E+03 0.29080E-01 -0.18475E-01 8784 0.238E+01 0.464E-01 RMM: 2 -0.342702532072E+03 -0.11199E-01 -0.10329E-01 5219 0.729E-01 0.941E-01 RMM: 3 -0.342697013256E+03 0.55188E-02 -0.10253E-02 5527 0.213E-01 0.394E-01 RMM: 4 -0.342698478119E+03 -0.14649E-02 -0.35351E-03 4973 0.154E-01 0.650E-01 RMM: 5 -0.342695831562E+03 0.26466E-02 -0.21639E-03 4665 0.127E-01 0.182E-01 RMM: 6 -0.342695872764E+03 -0.41202E-04 -0.46396E-04 4363 0.554E-02 0.213E-01 RMM: 7 -0.342695653839E+03 0.21893E-03 -0.29526E-04 4144 0.518E-02 0.134E-01 RMM: 8 -0.342695548794E+03 0.10504E-03 -0.79847E-05 3548 0.260E-02 0.535E-02 RMM: 9 -0.342695571821E+03 -0.23027E-04 -0.41121E-05 3090 0.182E-02 0.880E-02 RMM: 10 -0.342695522433E+03 0.49388E-04 -0.31062E-05 2708 0.169E-02 0.365E-02 RMM: 11 -0.342695513856E+03 0.85773E-05 -0.87421E-06 2451 0.885E-03 989 T= 6722. E= 0.68847541E+03 F= 0.63286876E+03 E0= 0.66291362E+03 EK= 0.55607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342585150092E+03 0.11037E+00 -0.20576E-01 8328 0.246E+01 0.342E-01 RMM: 2 -0.342599675234E+03 -0.14525E-01 -0.13466E-01 5111 0.841E-01 0.836E-01 RMM: 3 -0.342594812785E+03 0.48624E-02 -0.13353E-02 5815 0.222E-01 0.261E-01 RMM: 4 -0.342595243188E+03 -0.43040E-03 -0.20619E-03 4984 0.119E-01 0.438E-01 RMM: 5 -0.342594141651E+03 0.11015E-02 -0.13106E-03 4613 0.101E-01 0.198E-01 RMM: 6 -0.342594057235E+03 0.84415E-04 -0.45066E-04 4344 0.552E-02 0.168E-01 RMM: 7 -0.342593954048E+03 0.10319E-03 -0.19465E-04 3874 0.424E-02 0.121E-01 RMM: 8 -0.342593857528E+03 0.96520E-04 -0.39630E-05 3137 0.198E-02 0.319E-02 RMM: 9 -0.342593854393E+03 0.31359E-05 -0.10668E-05 2477 0.976E-03 990 T= 7081. E= 0.69104542E+03 F= 0.63246418E+03 E0= 0.66248734E+03 EK= 0.58581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342321370653E+03 0.27249E+00 -0.20671E-01 8544 0.250E+01 0.442E-01 RMM: 2 -0.342333241327E+03 -0.11871E-01 -0.11478E-01 5311 0.755E-01 0.883E-01 RMM: 3 -0.342327874946E+03 0.53664E-02 -0.10013E-02 5676 0.207E-01 0.344E-01 RMM: 4 -0.342329542854E+03 -0.16679E-02 -0.32774E-03 4977 0.150E-01 0.651E-01 RMM: 5 -0.342326897852E+03 0.26450E-02 -0.16990E-03 4622 0.111E-01 0.166E-01 RMM: 6 -0.342326915704E+03 -0.17851E-04 -0.44805E-04 4228 0.548E-02 0.189E-01 RMM: 7 -0.342326785784E+03 0.12992E-03 -0.22673E-04 3894 0.457E-02 0.143E-01 RMM: 8 -0.342326659064E+03 0.12672E-03 -0.66575E-05 3457 0.244E-02 0.460E-02 RMM: 9 -0.342326672972E+03 -0.13908E-04 -0.35588E-05 3003 0.171E-02 991 T= 7196. E= 0.69176336E+03 F= 0.63223272E+03 E0= 0.66223075E+03 EK= 0.59531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341841115229E+03 0.48554E+00 -0.21480E-01 8268 0.249E+01 0.408E-01 RMM: 2 -0.341855255091E+03 -0.14140E-01 -0.12394E-01 5156 0.795E-01 0.963E-01 RMM: 3 -0.341848809642E+03 0.64454E-02 -0.11771E-02 5771 0.221E-01 0.291E-01 RMM: 4 -0.341849922633E+03 -0.11130E-02 -0.29628E-03 5176 0.141E-01 0.549E-01 RMM: 5 -0.341848133200E+03 0.17894E-02 -0.15167E-03 4628 0.107E-01 0.206E-01 RMM: 6 -0.341847977980E+03 0.15522E-03 -0.37682E-04 4052 0.506E-02 0.150E-01 RMM: 7 -0.341847946562E+03 0.31417E-04 -0.20841E-04 3881 0.443E-02 0.146E-01 RMM: 8 -0.341847809102E+03 0.13746E-03 -0.68181E-05 3469 0.249E-02 0.395E-02 RMM: 9 -0.341847812964E+03 -0.38616E-05 -0.18732E-05 2554 0.129E-02 992 T= 7008. E= 0.69018851E+03 F= 0.63221157E+03 E0= 0.66217948E+03 EK= 0.57977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341169345003E+03 0.67846E+00 -0.20959E-01 8112 0.244E+01 0.488E-01 RMM: 2 -0.341182698724E+03 -0.13354E-01 -0.12403E-01 5228 0.764E-01 0.986E-01 RMM: 3 -0.341175863246E+03 0.68355E-02 -0.11179E-02 5423 0.234E-01 0.408E-01 RMM: 4 -0.341177617197E+03 -0.17540E-02 -0.36294E-03 5194 0.153E-01 0.676E-01 RMM: 5 -0.341174742778E+03 0.28744E-02 -0.15793E-03 4615 0.107E-01 0.191E-01 RMM: 6 -0.341174571917E+03 0.17086E-03 -0.34698E-04 4037 0.478E-02 0.122E-01 RMM: 7 -0.341174614467E+03 -0.42550E-04 -0.15914E-04 3884 0.363E-02 0.158E-01 RMM: 8 -0.341174450942E+03 0.16352E-03 -0.78544E-05 3589 0.265E-02 0.416E-02 RMM: 9 -0.341174459092E+03 -0.81496E-05 -0.24464E-05 2735 0.142E-02 993 T= 6608. E= 0.68704390E+03 F= 0.63237498E+03 E0= 0.66230773E+03 EK= 0.54669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340373187694E+03 0.80126E+00 -0.19863E-01 8208 0.237E+01 0.511E-01 RMM: 2 -0.340387718264E+03 -0.14531E-01 -0.12040E-01 5155 0.762E-01 0.113E+00 RMM: 3 -0.340378932972E+03 0.87853E-02 -0.11846E-02 5392 0.244E-01 0.378E-01 RMM: 4 -0.340380834535E+03 -0.19016E-02 -0.35734E-03 5295 0.149E-01 0.672E-01 RMM: 5 -0.340377981480E+03 0.28531E-02 -0.14607E-03 4612 0.104E-01 0.195E-01 RMM: 6 -0.340377783160E+03 0.19832E-03 -0.32011E-04 4003 0.457E-02 0.110E-01 RMM: 7 -0.340377808220E+03 -0.25060E-04 -0.13449E-04 3878 0.333E-02 0.139E-01 RMM: 8 -0.340377682333E+03 0.12589E-03 -0.65586E-05 3457 0.242E-02 0.414E-02 RMM: 9 -0.340377691308E+03 -0.89745E-05 -0.23524E-05 2657 0.140E-02 994 T= 6169. E= 0.68368098E+03 F= 0.63264694E+03 E0= 0.66254127E+03 EK= 0.51034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339549826367E+03 0.82786E+00 -0.18548E-01 8004 0.230E+01 0.540E-01 RMM: 2 -0.339563730342E+03 -0.13904E-01 -0.11944E-01 5070 0.781E-01 0.114E+00 RMM: 3 -0.339555663741E+03 0.80666E-02 -0.13989E-02 5390 0.269E-01 0.487E-01 RMM: 4 -0.339557857366E+03 -0.21936E-02 -0.44352E-03 5260 0.165E-01 0.755E-01 RMM: 5 -0.339554273588E+03 0.35838E-02 -0.19316E-03 4625 0.119E-01 0.223E-01 RMM: 6 -0.339553979741E+03 0.29385E-03 -0.31619E-04 4010 0.451E-02 0.101E-01 RMM: 7 -0.339554033636E+03 -0.53895E-04 -0.15154E-04 3884 0.336E-02 0.148E-01 RMM: 8 -0.339553891667E+03 0.14197E-03 -0.81484E-05 3593 0.269E-02 0.455E-02 RMM: 9 -0.339553897395E+03 -0.57275E-05 -0.29351E-05 2891 0.155E-02 995 T= 5846. E= 0.68129615E+03 F= 0.63293180E+03 E0= 0.66278502E+03 EK= 0.48364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338794227910E+03 0.75966E+00 -0.17679E-01 7812 0.227E+01 0.526E-01 RMM: 2 -0.338808470462E+03 -0.14243E-01 -0.10911E-01 5007 0.759E-01 0.120E+00 RMM: 3 -0.338799227287E+03 0.92432E-02 -0.12786E-02 5407 0.254E-01 0.421E-01 RMM: 4 -0.338801548299E+03 -0.23210E-02 -0.42963E-03 5303 0.162E-01 0.732E-01 RMM: 5 -0.338798124482E+03 0.34238E-02 -0.18944E-03 4630 0.120E-01 0.211E-01 RMM: 6 -0.338797866880E+03 0.25760E-03 -0.31015E-04 4015 0.448E-02 0.102E-01 RMM: 7 -0.338797899123E+03 -0.32243E-04 -0.13504E-04 3872 0.327E-02 0.137E-01 RMM: 8 -0.338797778954E+03 0.12017E-03 -0.68134E-05 3492 0.248E-02 0.454E-02 RMM: 9 -0.338797783838E+03 -0.48833E-05 -0.22961E-05 2620 0.139E-02 996 T= 5734. E= 0.68057479E+03 F= 0.63314122E+03 E0= 0.66295234E+03 EK= 0.47434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338176495686E+03 0.62128E+00 -0.16891E-01 7620 0.228E+01 0.498E-01 RMM: 2 -0.338187781408E+03 -0.11286E-01 -0.87838E-02 4933 0.698E-01 0.110E+00 RMM: 3 -0.338180376417E+03 0.74050E-02 -0.11807E-02 5385 0.249E-01 0.447E-01 RMM: 4 -0.338182235669E+03 -0.18593E-02 -0.39053E-03 5300 0.156E-01 0.694E-01 RMM: 5 -0.338179322442E+03 0.29132E-02 -0.17831E-03 4642 0.116E-01 0.250E-01 RMM: 6 -0.338178928476E+03 0.39397E-03 -0.33252E-04 4009 0.474E-02 0.910E-02 RMM: 7 -0.338178983227E+03 -0.54751E-04 -0.15579E-04 3884 0.349E-02 0.140E-01 RMM: 8 -0.338178854743E+03 0.12848E-03 -0.75422E-05 3553 0.262E-02 0.446E-02 RMM: 9 -0.338178855221E+03 -0.47856E-06 -0.24493E-05 2704 0.144E-02 997 T= 5863. E= 0.68172026E+03 F= 0.63321554E+03 E0= 0.66298425E+03 EK= 0.48505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337722330882E+03 0.45652E+00 -0.17299E-01 7740 0.233E+01 0.451E-01 RMM: 2 -0.337732871445E+03 -0.10541E-01 -0.71137E-02 4977 0.642E-01 0.111E+00 RMM: 3 -0.337725215985E+03 0.76555E-02 -0.92071E-03 5375 0.219E-01 0.342E-01 RMM: 4 -0.337727018573E+03 -0.18026E-02 -0.35141E-03 5283 0.151E-01 0.640E-01 RMM: 5 -0.337724504249E+03 0.25143E-02 -0.16408E-03 4623 0.112E-01 0.207E-01 RMM: 6 -0.337724280341E+03 0.22391E-03 -0.30211E-04 3979 0.448E-02 0.114E-01 RMM: 7 -0.337724251979E+03 0.28361E-04 -0.16113E-04 3866 0.393E-02 0.112E-01 RMM: 8 -0.337724173507E+03 0.78472E-04 -0.47128E-05 3237 0.213E-02 0.406E-02 RMM: 9 -0.337724180168E+03 -0.66612E-05 -0.18763E-05 2548 0.127E-02 998 T= 6209. E= 0.68450605E+03 F= 0.63313731E+03 E0= 0.66286496E+03 EK= 0.51369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337399921492E+03 0.32425E+00 -0.19258E-01 7896 0.241E+01 0.413E-01 RMM: 2 -0.337413453623E+03 -0.13532E-01 -0.90450E-02 4974 0.731E-01 0.115E+00 RMM: 3 -0.337405115865E+03 0.83378E-02 -0.10965E-02 5412 0.233E-01 0.327E-01 RMM: 4 -0.337405953878E+03 -0.83801E-03 -0.29020E-03 5297 0.136E-01 0.510E-01 RMM: 5 -0.337404555902E+03 0.13980E-02 -0.16440E-03 4629 0.113E-01 0.252E-01 RMM: 6 -0.337404203934E+03 0.35197E-03 -0.40824E-04 4137 0.530E-02 0.122E-01 RMM: 7 -0.337404232970E+03 -0.29036E-04 -0.23674E-04 3882 0.462E-02 0.155E-01 RMM: 8 -0.337404082063E+03 0.15091E-03 -0.79331E-05 3599 0.273E-02 0.460E-02 RMM: 9 -0.337404080662E+03 0.14006E-05 -0.21050E-05 2573 0.137E-02 999 T= 6678. E= 0.68818849E+03 F= 0.63294194E+03 E0= 0.66263006E+03 EK= 0.55247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337127450037E+03 0.27663E+00 -0.20387E-01 8280 0.249E+01 0.399E-01 RMM: 2 -0.337142315221E+03 -0.14865E-01 -0.90245E-02 5245 0.720E-01 0.121E+00 RMM: 3 -0.337132644919E+03 0.96703E-02 -0.94752E-03 5437 0.216E-01 0.291E-01 RMM: 4 -0.337133364713E+03 -0.71979E-03 -0.26978E-03 5255 0.134E-01 0.483E-01 RMM: 5 -0.337132102800E+03 0.12619E-02 -0.16694E-03 4618 0.114E-01 0.238E-01 RMM: 6 -0.337131917398E+03 0.18540E-03 -0.50511E-04 4511 0.586E-02 0.180E-01 RMM: 7 -0.337131805052E+03 0.11235E-03 -0.32657E-04 4193 0.545E-02 0.144E-01 RMM: 8 -0.337131676947E+03 0.12810E-03 -0.75242E-05 3548 0.257E-02 0.493E-02 RMM: 9 -0.337131678837E+03 -0.18895E-05 -0.24538E-05 2653 0.150E-02 1000 T= 7101. E= 0.69145639E+03 F= 0.63271610E+03 E0= 0.66236745E+03 EK= 0.58740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336780079049E+03 0.35160E+00 -0.22053E-01 8712 0.254E+01 0.403E-01 RMM: 2 -0.336800181858E+03 -0.20103E-01 -0.12207E-01 5214 0.827E-01 0.135E+00 RMM: 3 -0.336788206348E+03 0.11976E-01 -0.13290E-02 5479 0.254E-01 0.337E-01 RMM: 4 -0.336788155392E+03 0.50956E-04 -0.23299E-03 5162 0.118E-01 0.380E-01 RMM: 5 -0.336787587004E+03 0.56839E-03 -0.18171E-03 4624 0.121E-01 0.287E-01 RMM: 6 -0.336787209872E+03 0.37713E-03 -0.58166E-04 4598 0.626E-02 0.167E-01 RMM: 7 -0.336787181595E+03 0.28277E-04 -0.36135E-04 4225 0.554E-02 0.171E-01 RMM: 8 -0.336787000084E+03 0.18151E-03 -0.10616E-04 3752 0.304E-02 0.517E-02 RMM: 9 -0.336786997646E+03 0.24376E-05 -0.25593E-05 2702 0.154E-02 1001 T= 7284. E= 0.69283528E+03 F= 0.63257372E+03 E0= 0.66219081E+03 EK= 0.60262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336261859834E+03 0.52514E+00 -0.22822E-01 8916 0.254E+01 0.413E-01 RMM: 2 -0.336280081825E+03 -0.18222E-01 -0.12625E-01 5234 0.808E-01 0.121E+00 RMM: 3 -0.336269908908E+03 0.10173E-01 -0.12142E-02 5483 0.239E-01 0.311E-01 RMM: 4 -0.336270590570E+03 -0.68166E-03 -0.28215E-03 5296 0.135E-01 0.492E-01 RMM: 5 -0.336269180041E+03 0.14105E-02 -0.17209E-03 4634 0.115E-01 0.218E-01 RMM: 6 -0.336269117209E+03 0.62832E-04 -0.54085E-04 4584 0.604E-02 0.203E-01 RMM: 7 -0.336268975139E+03 0.14207E-03 -0.31975E-04 4115 0.529E-02 0.158E-01 RMM: 8 -0.336268821948E+03 0.15319E-03 -0.91070E-05 3639 0.281E-02 0.525E-02 RMM: 9 -0.336268823189E+03 -0.12406E-05 -0.26776E-05 2707 0.155E-02 1002 T= 7131. E= 0.69159878E+03 F= 0.63260641E+03 E0= 0.66219223E+03 EK= 0.58992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335531192503E+03 0.73763E+00 -0.22975E-01 8796 0.249E+01 0.451E-01 RMM: 2 -0.335550837030E+03 -0.19645E-01 -0.12770E-01 5169 0.799E-01 0.132E+00 RMM: 3 -0.335538672863E+03 0.12164E-01 -0.12799E-02 5424 0.255E-01 0.341E-01 RMM: 4 -0.335539607382E+03 -0.93452E-03 -0.32089E-03 5323 0.141E-01 0.537E-01 RMM: 5 -0.335538081850E+03 0.15255E-02 -0.16717E-03 4632 0.114E-01 0.284E-01 RMM: 6 -0.335537639302E+03 0.44255E-03 -0.50634E-04 4529 0.585E-02 0.136E-01 RMM: 7 -0.335537682041E+03 -0.42738E-04 -0.28988E-04 3928 0.489E-02 0.172E-01 RMM: 8 -0.335537495854E+03 0.18619E-03 -0.10872E-04 3740 0.317E-02 0.484E-02 RMM: 9 -0.335537496823E+03 -0.96874E-06 -0.28508E-05 2820 0.158E-02 1003 T= 6711. E= 0.68836057E+03 F= 0.63284407E+03 E0= 0.66240059E+03 EK= 0.55516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334609564747E+03 0.92793E+00 -0.22104E-01 8772 0.240E+01 0.469E-01 RMM: 2 -0.334624974605E+03 -0.15410E-01 -0.12423E-01 5301 0.752E-01 0.110E+00 RMM: 3 -0.334616204979E+03 0.87696E-02 -0.10679E-02 5386 0.236E-01 0.379E-01 RMM: 4 -0.334617893456E+03 -0.16885E-02 -0.37169E-03 5238 0.155E-01 0.646E-01 RMM: 5 -0.334615178593E+03 0.27149E-02 -0.17611E-03 4624 0.115E-01 0.180E-01 RMM: 6 -0.334615119129E+03 0.59464E-04 -0.38179E-04 4122 0.503E-02 0.164E-01 RMM: 7 -0.334615051588E+03 0.67541E-04 -0.19660E-04 3878 0.417E-02 0.142E-01 RMM: 8 -0.334614924018E+03 0.12757E-03 -0.74655E-05 3505 0.256E-02 0.456E-02 RMM: 9 -0.334614928396E+03 -0.43781E-05 -0.22923E-05 2608 0.140E-02 1004 T= 6208. E= 0.68461592E+03 F= 0.63325849E+03 E0= 0.66278682E+03 EK= 0.51357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333556249458E+03 0.10587E+01 -0.21357E-01 8940 0.232E+01 0.516E-01 RMM: 2 -0.333575910183E+03 -0.19661E-01 -0.12829E-01 5334 0.776E-01 0.139E+00 RMM: 3 -0.333562465640E+03 0.13445E-01 -0.12276E-02 5408 0.251E-01 0.379E-01 RMM: 4 -0.333564499380E+03 -0.20337E-02 -0.42179E-03 5293 0.160E-01 0.688E-01 RMM: 5 -0.333561671794E+03 0.28276E-02 -0.18323E-03 4636 0.118E-01 0.264E-01 RMM: 6 -0.333561252178E+03 0.41962E-03 -0.41867E-04 4250 0.531E-02 0.109E-01 RMM: 7 -0.333561339386E+03 -0.87208E-04 -0.20417E-04 3883 0.394E-02 0.168E-01 RMM: 8 -0.333561157451E+03 0.18194E-03 -0.98178E-05 3688 0.298E-02 0.465E-02 RMM: 9 -0.333561158130E+03 -0.67967E-06 -0.23310E-05 2653 0.140E-02 1005 T= 5803. E= 0.68179480E+03 F= 0.63378926E+03 E0= 0.66329002E+03 EK= 0.48006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332433611291E+03 0.11275E+01 -0.20904E-01 9192 0.227E+01 0.514E-01 RMM: 2 -0.332450670709E+03 -0.17059E-01 -0.12227E-01 5426 0.739E-01 0.125E+00 RMM: 3 -0.332439521005E+03 0.11150E-01 -0.10884E-02 5396 0.239E-01 0.402E-01 RMM: 4 -0.332441695500E+03 -0.21745E-02 -0.43808E-03 5098 0.166E-01 0.712E-01 RMM: 5 -0.332438500375E+03 0.31951E-02 -0.19020E-03 4616 0.119E-01 0.211E-01 RMM: 6 -0.332438272496E+03 0.22788E-03 -0.35099E-04 4049 0.478E-02 0.122E-01 RMM: 7 -0.332438303078E+03 -0.30582E-04 -0.16728E-04 3880 0.369E-02 0.150E-01 RMM: 8 -0.332438157298E+03 0.14578E-03 -0.76916E-05 3547 0.261E-02 0.442E-02 RMM: 9 -0.332438161407E+03 -0.41087E-05 -0.22947E-05 2630 0.138E-02 1006 T= 5607. E= 0.68076790E+03 F= 0.63438055E+03 E0= 0.66385472E+03 EK= 0.46387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331284122728E+03 0.11540E+01 -0.20668E-01 9168 0.227E+01 0.509E-01 RMM: 2 -0.331304847612E+03 -0.20725E-01 -0.12060E-01 5500 0.746E-01 0.148E+00 RMM: 3 -0.331289763298E+03 0.15084E-01 -0.11535E-02 5372 0.248E-01 0.366E-01 RMM: 4 -0.331291597391E+03 -0.18341E-02 -0.40087E-03 5237 0.154E-01 0.659E-01 RMM: 5 -0.331289077431E+03 0.25200E-02 -0.16856E-03 4620 0.113E-01 0.265E-01 RMM: 6 -0.331288629525E+03 0.44791E-03 -0.35676E-04 4014 0.490E-02 0.920E-02 RMM: 7 -0.331288695888E+03 -0.66363E-04 -0.18081E-04 3885 0.378E-02 0.146E-01 RMM: 8 -0.331288555604E+03 0.14028E-03 -0.83468E-05 3594 0.274E-02 0.410E-02 RMM: 9 -0.331288558572E+03 -0.29683E-05 -0.20760E-05 2582 0.132E-02 1007 T= 5666. E= 0.68187667E+03 F= 0.63500042E+03 E0= 0.66444887E+03 EK= 0.46876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330122742756E+03 0.11658E+01 -0.20780E-01 9132 0.231E+01 0.470E-01 RMM: 2 -0.330141313607E+03 -0.18571E-01 -0.12361E-01 5476 0.751E-01 0.131E+00 RMM: 3 -0.330129468093E+03 0.11846E-01 -0.10853E-02 5414 0.232E-01 0.345E-01 RMM: 4 -0.330131057251E+03 -0.15892E-02 -0.36286E-03 5155 0.149E-01 0.616E-01 RMM: 5 -0.330128713516E+03 0.23437E-02 -0.15618E-03 4614 0.108E-01 0.209E-01 RMM: 6 -0.330128485931E+03 0.22759E-03 -0.32100E-04 3924 0.460E-02 0.115E-01 RMM: 7 -0.330128528909E+03 -0.42979E-04 -0.16399E-04 3876 0.371E-02 0.150E-01 RMM: 8 -0.330128380912E+03 0.14800E-03 -0.76096E-05 3570 0.260E-02 0.409E-02 RMM: 9 -0.330128384415E+03 -0.35027E-05 -0.20392E-05 2581 0.131E-02 1008 T= 5973. E= 0.68505690E+03 F= 0.63564435E+03 E0= 0.66506854E+03 EK= 0.49413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328945328147E+03 0.11831E+01 -0.21545E-01 9060 0.239E+01 0.439E-01 RMM: 2 -0.328964645597E+03 -0.19317E-01 -0.13294E-01 5417 0.794E-01 0.127E+00 RMM: 3 -0.328953444864E+03 0.11201E-01 -0.11652E-02 5470 0.235E-01 0.318E-01 RMM: 4 -0.328954567165E+03 -0.11223E-02 -0.31289E-03 5296 0.138E-01 0.549E-01 RMM: 5 -0.328952865374E+03 0.17018E-02 -0.14026E-03 4612 0.103E-01 0.241E-01 RMM: 6 -0.328952533820E+03 0.33155E-03 -0.34898E-04 3950 0.486E-02 0.111E-01 RMM: 7 -0.328952567520E+03 -0.33700E-04 -0.19173E-04 3882 0.406E-02 0.143E-01 RMM: 8 -0.328952435510E+03 0.13201E-03 -0.78325E-05 3575 0.266E-02 0.413E-02 RMM: 9 -0.328952437808E+03 -0.22980E-05 -0.20687E-05 2590 0.133E-02 1009 T= 6461. E= 0.68977599E+03 F= 0.63632580E+03 E0= 0.66572661E+03 EK= 0.53450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327750210025E+03 0.12022E+01 -0.22909E-01 8844 0.248E+01 0.419E-01 RMM: 2 -0.327771375189E+03 -0.21165E-01 -0.15003E-01 5404 0.859E-01 0.126E+00 RMM: 3 -0.327760302685E+03 0.11073E-01 -0.13114E-02 5586 0.241E-01 0.307E-01 RMM: 4 -0.327761111814E+03 -0.80913E-03 -0.28611E-03 5204 0.132E-01 0.498E-01 RMM: 5 -0.327759590854E+03 0.15210E-02 -0.13011E-03 4609 0.985E-02 0.193E-01 RMM: 6 -0.327759469887E+03 0.12097E-03 -0.36227E-04 3946 0.493E-02 0.148E-01 RMM: 7 -0.327759442756E+03 0.27131E-04 -0.17403E-04 3872 0.397E-02 0.144E-01 RMM: 8 -0.327759309337E+03 0.13342E-03 -0.70061E-05 3494 0.247E-02 0.440E-02 RMM: 9 -0.327759310878E+03 -0.15411E-05 -0.20801E-05 2577 0.134E-02 1010 T= 6987. E= 0.69485206E+03 F= 0.63704843E+03 E0= 0.66642658E+03 EK= 0.57804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326575843186E+03 0.11835E+01 -0.24123E-01 9084 0.255E+01 0.430E-01 RMM: 2 -0.326597813581E+03 -0.21970E-01 -0.15074E-01 5409 0.876E-01 0.132E+00 RMM: 3 -0.326585857404E+03 0.11956E-01 -0.13900E-02 5596 0.249E-01 0.316E-01 RMM: 4 -0.326586447472E+03 -0.59007E-03 -0.28543E-03 5319 0.131E-01 0.474E-01 RMM: 5 -0.326585269632E+03 0.11778E-02 -0.12731E-03 4604 0.969E-02 0.255E-01 RMM: 6 -0.326584910543E+03 0.35909E-03 -0.38869E-04 4041 0.515E-02 0.122E-01 RMM: 7 -0.326584983379E+03 -0.72836E-04 -0.21788E-04 3888 0.423E-02 0.169E-01 RMM: 8 -0.326584799696E+03 0.18368E-03 -0.96817E-05 3705 0.294E-02 0.467E-02 RMM: 9 -0.326584796933E+03 0.27630E-05 -0.22206E-05 2641 0.137E-02 1011 T= 7349. E= 0.69857032E+03 F= 0.63777218E+03 E0= 0.66712715E+03 EK= 0.60798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325518244861E+03 0.10666E+01 -0.24293E-01 8568 0.257E+01 0.452E-01 RMM: 2 -0.325544104760E+03 -0.25860E-01 -0.15448E-01 5338 0.904E-01 0.152E+00 RMM: 3 -0.325528340418E+03 0.15764E-01 -0.15651E-02 5488 0.272E-01 0.322E-01 RMM: 4 -0.325529271923E+03 -0.93150E-03 -0.32902E-03 5294 0.140E-01 0.518E-01 RMM: 5 -0.325527710039E+03 0.15619E-02 -0.12694E-03 4611 0.955E-02 0.230E-01 RMM: 6 -0.325527431714E+03 0.27832E-03 -0.37953E-04 4015 0.508E-02 0.122E-01 RMM: 7 -0.325527511904E+03 -0.80190E-04 -0.18688E-04 3880 0.386E-02 0.171E-01 RMM: 8 -0.325527320821E+03 0.19108E-03 -0.93388E-05 3680 0.287E-02 0.494E-02 RMM: 9 -0.325527314976E+03 0.58450E-05 -0.21325E-05 2599 0.134E-02 1012 T= 7385. E= 0.69948030E+03 F= 0.63838959E+03 E0= 0.66772070E+03 EK= 0.61091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324723695432E+03 0.80363E+00 -0.22430E-01 8208 0.253E+01 0.475E-01 RMM: 2 -0.324746388816E+03 -0.22693E-01 -0.13074E-01 5285 0.860E-01 0.147E+00 RMM: 3 -0.324731495241E+03 0.14894E-01 -0.14483E-02 5387 0.271E-01 0.358E-01 RMM: 4 -0.324732528143E+03 -0.10329E-02 -0.35191E-03 5328 0.145E-01 0.542E-01 RMM: 5 -0.324730995036E+03 0.15331E-02 -0.12659E-03 4613 0.950E-02 0.297E-01 RMM: 6 -0.324730425153E+03 0.56988E-03 -0.42068E-04 4200 0.541E-02 0.945E-02 RMM: 7 -0.324730546764E+03 -0.12161E-03 -0.20202E-04 3892 0.388E-02 0.170E-01 RMM: 8 -0.324730353528E+03 0.19324E-03 -0.98503E-05 3742 0.301E-02 0.465E-02 RMM: 9 -0.324730347610E+03 0.59181E-05 -0.22524E-05 2665 0.138E-02 1013 T= 7090. E= 0.69739868E+03 F= 0.63874635E+03 E0= 0.66805247E+03 EK= 0.58652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324308071172E+03 0.42228E+00 -0.20156E-01 7920 0.246E+01 0.469E-01 RMM: 2 -0.324326064572E+03 -0.17993E-01 -0.10639E-01 5124 0.802E-01 0.136E+00 RMM: 3 -0.324313647219E+03 0.12417E-01 -0.12483E-02 5378 0.259E-01 0.331E-01 RMM: 4 -0.324315452464E+03 -0.18052E-02 -0.35538E-03 5324 0.149E-01 0.625E-01 RMM: 5 -0.324313036431E+03 0.24160E-02 -0.13411E-03 4620 0.988E-02 0.227E-01 RMM: 6 -0.324312734987E+03 0.30144E-03 -0.31473E-04 3948 0.460E-02 0.981E-02 RMM: 7 -0.324312788807E+03 -0.53820E-04 -0.13644E-04 3864 0.331E-02 0.141E-01 RMM: 8 -0.324312654826E+03 0.13398E-03 -0.64341E-05 3450 0.242E-02 0.399E-02 RMM: 9 -0.324312656259E+03 -0.14337E-05 -0.18491E-05 2554 0.123E-02 1014 T= 6621. E= 0.69348989E+03 F= 0.63871446E+03 E0= 0.66799548E+03 EK= 0.54775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324306930559E+03 0.57243E-02 -0.18265E-01 7692 0.238E+01 0.474E-01 RMM: 2 -0.324320941344E+03 -0.14011E-01 -0.88883E-02 5081 0.747E-01 0.124E+00 RMM: 3 -0.324311033232E+03 0.99081E-02 -0.10897E-02 5376 0.244E-01 0.353E-01 RMM: 4 -0.324312713298E+03 -0.16801E-02 -0.34297E-03 5308 0.147E-01 0.625E-01 RMM: 5 -0.324310309009E+03 0.24043E-02 -0.14444E-03 4634 0.104E-01 0.234E-01 RMM: 6 -0.324309985478E+03 0.32353E-03 -0.36428E-04 4065 0.499E-02 0.106E-01 RMM: 7 -0.324310071810E+03 -0.86332E-04 -0.15799E-04 3872 0.350E-02 0.163E-01 RMM: 8 -0.324309895689E+03 0.17612E-03 -0.74561E-05 3544 0.259E-02 0.398E-02 RMM: 9 -0.324309896532E+03 -0.84317E-06 -0.19880E-05 2567 0.128E-02 1015 T= 6176. E= 0.68934909E+03 F= 0.63825316E+03 E0= 0.66750904E+03 EK= 0.51096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324666250575E+03 -0.35635E+00 -0.17474E-01 8208 0.232E+01 0.468E-01 RMM: 2 -0.324683072087E+03 -0.16822E-01 -0.97267E-02 5106 0.743E-01 0.132E+00 RMM: 3 -0.324670943842E+03 0.12128E-01 -0.11472E-02 5389 0.246E-01 0.308E-01 RMM: 4 -0.324672702704E+03 -0.17589E-02 -0.33745E-03 5312 0.146E-01 0.623E-01 RMM: 5 -0.324670290982E+03 0.24117E-02 -0.14193E-03 4616 0.103E-01 0.212E-01 RMM: 6 -0.324670096590E+03 0.19439E-03 -0.38389E-04 4254 0.504E-02 0.138E-01 RMM: 7 -0.324670075779E+03 0.20811E-04 -0.15170E-04 3880 0.357E-02 0.138E-01 RMM: 8 -0.324669952450E+03 0.12333E-03 -0.60696E-05 3408 0.235E-02 0.402E-02 RMM: 9 -0.324669958398E+03 -0.59478E-05 -0.19012E-05 2558 0.123E-02 1016 T= 5893. E= 0.68616565E+03 F= 0.63741487E+03 E0= 0.66664577E+03 EK= 0.48751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325282428019E+03 -0.61248E+00 -0.17826E-01 8652 0.230E+01 0.447E-01 RMM: 2 -0.325297442760E+03 -0.15015E-01 -0.11389E-01 5231 0.771E-01 0.110E+00 RMM: 3 -0.325289029283E+03 0.84135E-02 -0.11956E-02 5413 0.247E-01 0.355E-01 RMM: 4 -0.325290097850E+03 -0.10686E-02 -0.29692E-03 5292 0.134E-01 0.562E-01 RMM: 5 -0.325288169708E+03 0.19281E-02 -0.14133E-03 4617 0.103E-01 0.222E-01 RMM: 6 -0.325287974753E+03 0.19496E-03 -0.43175E-04 4361 0.540E-02 0.153E-01 RMM: 7 -0.325288005115E+03 -0.30362E-04 -0.20230E-04 3888 0.399E-02 0.175E-01 RMM: 8 -0.325287804535E+03 0.20058E-03 -0.94444E-05 3683 0.292E-02 0.436E-02 RMM: 9 -0.325287805978E+03 -0.14430E-05 -0.21809E-05 2620 0.134E-02 1017 T= 5827. E= 0.68451608E+03 F= 0.63630966E+03 E0= 0.66551563E+03 EK= 0.48206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326032038829E+03 -0.74423E+00 -0.19776E-01 8916 0.232E+01 0.443E-01 RMM: 2 -0.326055076693E+03 -0.23038E-01 -0.14028E-01 5263 0.832E-01 0.140E+00 RMM: 3 -0.326041094324E+03 0.13982E-01 -0.14138E-02 5443 0.260E-01 0.322E-01 RMM: 4 -0.326041991061E+03 -0.89674E-03 -0.30581E-03 5313 0.136E-01 0.528E-01 RMM: 5 -0.326040327469E+03 0.16636E-02 -0.13878E-03 4600 0.102E-01 0.232E-01 RMM: 6 -0.326040172478E+03 0.15499E-03 -0.51634E-04 4536 0.582E-02 0.184E-01 RMM: 7 -0.326040101447E+03 0.71031E-04 -0.23857E-04 3895 0.436E-02 0.162E-01 RMM: 8 -0.326039933756E+03 0.16769E-03 -0.91838E-05 3614 0.290E-02 0.470E-02 RMM: 9 -0.326039937271E+03 -0.35144E-05 -0.23042E-05 2606 0.137E-02 1018 T= 5973. E= 0.68448342E+03 F= 0.63506867E+03 E0= 0.66424953E+03 EK= 0.49415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326791936336E+03 -0.75200E+00 -0.21596E-01 9012 0.237E+01 0.413E-01 RMM: 2 -0.326812625095E+03 -0.20689E-01 -0.15365E-01 5450 0.835E-01 0.118E+00 RMM: 3 -0.326802338068E+03 0.10287E-01 -0.12529E-02 5438 0.242E-01 0.333E-01 RMM: 4 -0.326802732455E+03 -0.39439E-03 -0.25260E-03 5142 0.122E-01 0.457E-01 RMM: 5 -0.326801481639E+03 0.12508E-02 -0.14013E-03 4609 0.104E-01 0.218E-01 RMM: 6 -0.326801433064E+03 0.48575E-04 -0.54856E-04 4556 0.601E-02 0.206E-01 RMM: 7 -0.326801349616E+03 0.83448E-04 -0.25843E-04 3896 0.448E-02 0.180E-01 RMM: 8 -0.326801138898E+03 0.21072E-03 -0.10649E-04 3763 0.308E-02 0.492E-02 RMM: 9 -0.326801139645E+03 -0.74742E-06 -0.26140E-05 2725 0.148E-02 1019 T= 6276. E= 0.68574241E+03 F= 0.63382424E+03 E0= 0.66297882E+03 EK= 0.51918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327437475625E+03 -0.63634E+00 -0.24360E-01 9036 0.243E+01 0.408E-01 RMM: 2 -0.327463022883E+03 -0.25547E-01 -0.17120E-01 5440 0.875E-01 0.136E+00 RMM: 3 -0.327449495181E+03 0.13528E-01 -0.13914E-02 5530 0.250E-01 0.309E-01 RMM: 4 -0.327449697984E+03 -0.20280E-03 -0.25157E-03 5201 0.122E-01 0.419E-01 RMM: 5 -0.327448677717E+03 0.10203E-02 -0.13095E-03 4608 0.100E-01 0.221E-01 RMM: 6 -0.327448655789E+03 0.21929E-04 -0.54418E-04 4548 0.597E-02 0.217E-01 RMM: 7 -0.327448480265E+03 0.17552E-03 -0.26040E-04 3892 0.460E-02 0.155E-01 RMM: 8 -0.327448328397E+03 0.15187E-03 -0.84315E-05 3598 0.277E-02 0.495E-02 RMM: 9 -0.327448331464E+03 -0.30666E-05 -0.25576E-05 2648 0.142E-02 1020 T= 6632. E= 0.68756494E+03 F= 0.63270353E+03 E0= 0.66183063E+03 EK= 0.54861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327859702552E+03 -0.41137E+00 -0.27606E-01 8964 0.249E+01 0.395E-01 RMM: 2 -0.327884642576E+03 -0.24940E-01 -0.19396E-01 5413 0.919E-01 0.118E+00 RMM: 3 -0.327873606213E+03 0.11036E-01 -0.14657E-02 5536 0.258E-01 0.324E-01 RMM: 4 -0.327873708599E+03 -0.10239E-03 -0.24413E-03 5137 0.119E-01 0.407E-01 RMM: 5 -0.327872788481E+03 0.92012E-03 -0.13572E-03 4607 0.103E-01 0.228E-01 RMM: 6 -0.327872684224E+03 0.10426E-03 -0.51514E-04 4535 0.583E-02 0.196E-01 RMM: 7 -0.327872627767E+03 0.56457E-04 -0.27155E-04 3897 0.460E-02 0.181E-01 RMM: 8 -0.327872415516E+03 0.21225E-03 -0.11298E-04 3768 0.319E-02 0.481E-02 RMM: 9 -0.327872416339E+03 -0.82375E-06 -0.29143E-05 2828 0.155E-02 1021 T= 6904. E= 0.68893163E+03 F= 0.63181543E+03 E0= 0.66091316E+03 EK= 0.57116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327987862199E+03 -0.11545E+00 -0.29548E-01 8892 0.251E+01 0.392E-01 RMM: 2 -0.328010375896E+03 -0.22514E-01 -0.19269E-01 5579 0.894E-01 0.103E+00 RMM: 3 -0.328001431084E+03 0.89448E-02 -0.12520E-02 5609 0.236E-01 0.288E-01 RMM: 4 -0.328001971451E+03 -0.54037E-03 -0.25474E-03 5235 0.127E-01 0.462E-01 RMM: 5 -0.328000591709E+03 0.13797E-02 -0.14039E-03 4611 0.104E-01 0.153E-01 RMM: 6 -0.328000809659E+03 -0.21795E-03 -0.41168E-04 4114 0.518E-02 0.240E-01 RMM: 7 -0.328000490720E+03 0.31894E-03 -0.21580E-04 3882 0.447E-02 0.116E-01 RMM: 8 -0.328000406948E+03 0.83772E-04 -0.55177E-05 3339 0.218E-02 0.440E-02 RMM: 9 -0.328000413645E+03 -0.66964E-05 -0.23056E-05 2570 0.137E-02 1022 T= 6976. E= 0.68894218E+03 F= 0.63122889E+03 E0= 0.66029614E+03 EK= 0.57713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327807367683E+03 0.19304E+00 -0.30890E-01 8820 0.250E+01 0.418E-01 RMM: 2 -0.327830109164E+03 -0.22741E-01 -0.19919E-01 5615 0.915E-01 0.101E+00 RMM: 3 -0.327821428841E+03 0.86803E-02 -0.13171E-02 5528 0.244E-01 0.339E-01 RMM: 4 -0.327822214710E+03 -0.78587E-03 -0.28876E-03 5312 0.133E-01 0.518E-01 RMM: 5 -0.327820598101E+03 0.16166E-02 -0.14716E-03 4620 0.106E-01 0.211E-01 RMM: 6 -0.327820427003E+03 0.17110E-03 -0.38571E-04 4030 0.506E-02 0.147E-01 RMM: 7 -0.327820440676E+03 -0.13672E-04 -0.19730E-04 3896 0.409E-02 1023 T= 6818. E= 0.68735239E+03 F= 0.63094981E+03 E0= 0.65998611E+03 EK= 0.56403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327377788420E+03 0.44264E+00 -0.32009E-01 9036 0.245E+01 0.499E-01 RMM: 2 -0.327395674872E+03 -0.17886E-01 -0.19117E-01 5918 0.911E-01 0.799E-01 RMM: 3 -0.327390876870E+03 0.47980E-02 -0.12116E-02 5431 0.246E-01 0.473E-01 RMM: 4 -0.327392249220E+03 -0.13724E-02 -0.33785E-03 5285 0.148E-01 0.679E-01 RMM: 5 -0.327389216590E+03 0.30326E-02 -0.17374E-03 4621 0.112E-01 0.153E-01 RMM: 6 -0.327389325282E+03 -0.10869E-03 -0.41325E-04 4253 0.515E-02 0.207E-01 RMM: 7 -0.327389135993E+03 0.18929E-03 -0.19030E-04 3880 0.407E-02 0.134E-01 RMM: 8 -0.327389022056E+03 0.11394E-03 -0.73804E-05 3509 0.251E-02 0.461E-02 RMM: 9 -0.327389043425E+03 -0.21369E-04 -0.37539E-05 3032 0.171E-02 0.788E-02 RMM: 10 -0.327389004051E+03 0.39374E-04 -0.25222E-05 2638 0.162E-02 0.324E-02 RMM: 11 -0.327388996542E+03 0.75096E-05 -0.58476E-06 2447 0.714E-03 1024 T= 6506. E= 0.68473611E+03 F= 0.63091623E+03 E0= 0.65992253E+03 EK= 0.53820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326802283350E+03 0.58672E+00 -0.29909E-01 8916 0.239E+01 0.430E-01 RMM: 2 -0.326823475160E+03 -0.21192E-01 -0.19400E-01 5492 0.940E-01 0.979E-01 RMM: 3 -0.326816107352E+03 0.73678E-02 -0.14651E-02 5572 0.257E-01 0.363E-01 RMM: 4 -0.326817194020E+03 -0.10867E-02 -0.29637E-03 5309 0.133E-01 0.562E-01 RMM: 5 -0.326815232394E+03 0.19616E-02 -0.12653E-03 4622 0.959E-02 0.198E-01 RMM: 6 -0.326814995271E+03 0.23712E-03 -0.27069E-04 3910 0.427E-02 0.799E-02 RMM: 7 -0.326815084704E+03 -0.89433E-04 -0.10602E-04 3811 0.283E-02 0.142E-01 RMM: 8 -0.326814948827E+03 0.13588E-03 -0.49945E-05 3283 0.215E-02 0.350E-02 RMM: 9 -0.326814945195E+03 0.36321E-05 -0.15165E-05 2513 0.112E-02 1025 T= 6174. E= 0.68208940E+03 F= 0.63101666E+03 E0= 0.65999532E+03 EK= 0.51073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326216819491E+03 0.59813E+00 -0.26362E-01 9012 0.234E+01 0.503E-01 RMM: 2 -0.326233161654E+03 -0.16342E-01 -0.17078E-01 5619 0.881E-01 0.859E-01 RMM: 3 -0.326228083797E+03 0.50779E-02 -0.12404E-02 5493 0.238E-01 0.463E-01 RMM: 4 -0.326229280217E+03 -0.11964E-02 -0.33216E-03 5250 0.144E-01 0.657E-01 RMM: 5 -0.326226429106E+03 0.28511E-02 -0.16531E-03 4622 0.109E-01 0.125E-01 RMM: 6 -0.326226458928E+03 -0.29822E-04 -0.29068E-04 3924 0.432E-02 0.153E-01 RMM: 7 -0.326226391337E+03 0.67591E-04 -0.11721E-04 3879 0.311E-02 0.127E-01 RMM: 8 -0.326226281748E+03 0.10959E-03 -0.62463E-05 3440 0.226E-02 0.373E-02 RMM: 9 -0.326226297344E+03 -0.15595E-04 -0.27705E-05 2829 0.151E-02 1026 T= 5944. E= 0.68029927E+03 F= 0.63112444E+03 E0= 0.66007992E+03 EK= 0.49175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325728489024E+03 0.49779E+00 -0.22882E-01 8904 0.231E+01 0.464E-01 RMM: 2 -0.325743325842E+03 -0.14837E-01 -0.15305E-01 5470 0.851E-01 0.831E-01 RMM: 3 -0.325738711981E+03 0.46139E-02 -0.12265E-02 5490 0.237E-01 0.426E-01 RMM: 4 -0.325740024026E+03 -0.13120E-02 -0.30656E-03 5299 0.138E-01 0.630E-01 RMM: 5 -0.325737445789E+03 0.25782E-02 -0.14671E-03 4621 0.103E-01 0.181E-01 RMM: 6 -0.325737279170E+03 0.16662E-03 -0.29080E-04 3932 0.436E-02 0.105E-01 RMM: 7 -0.325737315793E+03 -0.36623E-04 -0.12217E-04 3889 0.314E-02 0.137E-01 RMM: 8 -0.325737191032E+03 0.12476E-03 -0.56598E-05 3362 0.225E-02 0.377E-02 RMM: 9 -0.325737197502E+03 -0.64704E-05 -0.23719E-05 2685 0.139E-02 1027 T= 5892. E= 0.67987182E+03 F= 0.63113051E+03 E0= 0.66006800E+03 EK= 0.48741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325407529983E+03 0.32966E+00 -0.20422E-01 8460 0.233E+01 0.444E-01 RMM: 2 -0.325424361644E+03 -0.16832E-01 -0.14312E-01 5290 0.836E-01 0.103E+00 RMM: 3 -0.325416816925E+03 0.75447E-02 -0.13277E-02 5549 0.237E-01 0.327E-01 RMM: 4 -0.325418272906E+03 -0.14560E-02 -0.32731E-03 5291 0.144E-01 0.599E-01 RMM: 5 -0.325416014406E+03 0.22585E-02 -0.14180E-03 4624 0.102E-01 0.183E-01 RMM: 6 -0.325415843876E+03 0.17053E-03 -0.27154E-04 3916 0.422E-02 0.110E-01 RMM: 7 -0.325415875637E+03 -0.31761E-04 -0.14861E-04 3879 0.351E-02 0.138E-01 RMM: 8 -0.325415748754E+03 0.12688E-03 -0.72110E-05 3528 0.255E-02 0.392E-02 RMM: 9 -0.325415751347E+03 -0.25929E-05 -0.18181E-05 2562 0.124E-02 1028 T= 6036. E= 0.68090712E+03 F= 0.63097367E+03 E0= 0.65989859E+03 EK= 0.49933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325254021339E+03 0.16173E+00 -0.18613E-01 8124 0.237E+01 0.407E-01 RMM: 2 -0.325270318659E+03 -0.16297E-01 -0.11454E-01 5170 0.771E-01 0.114E+00 RMM: 3 -0.325261123985E+03 0.91947E-02 -0.11362E-02 5485 0.229E-01 0.282E-01 RMM: 4 -0.325262433428E+03 -0.13094E-02 -0.29486E-03 5279 0.138E-01 0.551E-01 RMM: 5 -0.325260626907E+03 0.18065E-02 -0.13615E-03 4626 0.101E-01 0.211E-01 RMM: 6 -0.325260388073E+03 0.23883E-03 -0.34833E-04 3955 0.482E-02 0.113E-01 RMM: 7 -0.325260418025E+03 -0.29952E-04 -0.18759E-04 3888 0.408E-02 0.141E-01 RMM: 8 -0.325260285799E+03 0.13223E-03 -0.73983E-05 3573 0.262E-02 0.400E-02 RMM: 9 -0.325260287943E+03 -0.21447E-05 -0.17484E-05 2554 0.125E-02 1029 T= 6339. E= 0.68310357E+03 F= 0.63066170E+03 E0= 0.65957911E+03 EK= 0.52442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325186193881E+03 0.74092E-01 -0.19052E-01 7920 0.244E+01 0.370E-01 RMM: 2 -0.325202114262E+03 -0.15920E-01 -0.12398E-01 5138 0.814E-01 0.102E+00 RMM: 3 -0.325194837606E+03 0.72767E-02 -0.12723E-02 5607 0.221E-01 0.270E-01 RMM: 4 -0.325195330888E+03 -0.49328E-03 -0.24872E-03 5163 0.129E-01 0.441E-01 RMM: 5 -0.325194253402E+03 0.10775E-02 -0.14082E-03 4617 0.104E-01 0.208E-01 RMM: 6 -0.325194091832E+03 0.16157E-03 -0.36880E-04 4000 0.503E-02 0.151E-01 RMM: 7 -0.325194013567E+03 0.78265E-04 -0.24954E-04 3899 0.496E-02 0.124E-01 RMM: 8 -0.325193914710E+03 0.98857E-04 -0.61936E-05 3392 0.243E-02 0.407E-02 RMM: 9 -0.325193918359E+03 -0.36486E-05 -0.19127E-05 2555 0.131E-02 1030 T= 6703. E= 0.68572441E+03 F= 0.63027446E+03 E0= 0.65919008E+03 EK= 0.55450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325084757957E+03 0.10916E+00 -0.19299E-01 8040 0.250E+01 0.376E-01 RMM: 2 -0.325102098166E+03 -0.17340E-01 -0.10030E-01 5275 0.778E-01 0.129E+00 RMM: 3 -0.325091201382E+03 0.10897E-01 -0.10476E-02 5461 0.227E-01 0.295E-01 RMM: 4 -0.325091183465E+03 0.17918E-04 -0.18591E-03 4821 0.107E-01 0.343E-01 RMM: 5 -0.325090636409E+03 0.54706E-03 -0.16958E-03 4675 0.119E-01 0.235E-01 RMM: 6 -0.325090460558E+03 0.17585E-03 -0.49400E-04 4524 0.577E-02 0.177E-01 RMM: 7 -0.325090375322E+03 0.85236E-04 -0.30042E-04 3993 0.512E-02 0.152E-01 RMM: 8 -0.325090223330E+03 0.15199E-03 -0.90944E-05 3653 0.292E-02 0.420E-02 RMM: 9 -0.325090226678E+03 -0.33480E-05 -0.22198E-05 2604 0.143E-02 1031 T= 6982. E= 0.68770000E+03 F= 0.62993717E+03 E0= 0.65885527E+03 EK= 0.57763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324824036936E+03 0.26619E+00 -0.20247E-01 7980 0.253E+01 0.365E-01 RMM: 2 -0.324841300219E+03 -0.17263E-01 -0.12639E-01 5203 0.855E-01 0.112E+00 RMM: 3 -0.324833040618E+03 0.82596E-02 -0.13080E-02 5657 0.230E-01 0.278E-01 RMM: 4 -0.324832978651E+03 0.61967E-04 -0.20068E-03 4932 0.114E-01 0.350E-01 RMM: 5 -0.324832249171E+03 0.72948E-03 -0.15297E-03 4633 0.111E-01 0.179E-01 RMM: 6 -0.324832383192E+03 -0.13402E-03 -0.47652E-04 4517 0.568E-02 0.232E-01 RMM: 7 -0.324832135319E+03 0.24787E-03 -0.25436E-04 3894 0.473E-02 0.141E-01 RMM: 8 -0.324832004645E+03 0.13067E-03 -0.73370E-05 3505 0.261E-02 0.423E-02 RMM: 9 -0.324832010032E+03 -0.53874E-05 -0.23300E-05 2613 0.141E-02 1032 T= 7048. E= 0.68807034E+03 F= 0.62976218E+03 E0= 0.65868705E+03 EK= 0.58308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324363066693E+03 0.46894E+00 -0.19744E-01 7980 0.251E+01 0.380E-01 RMM: 2 -0.324378597749E+03 -0.15531E-01 -0.10745E-01 5275 0.775E-01 0.113E+00 RMM: 3 -0.324370055074E+03 0.85427E-02 -0.11038E-02 5582 0.222E-01 0.282E-01 RMM: 4 -0.324370465506E+03 -0.41043E-03 -0.21652E-03 5101 0.118E-01 0.424E-01 RMM: 5 -0.324369414815E+03 0.10507E-02 -0.13789E-03 4620 0.104E-01 0.206E-01 RMM: 6 -0.324369357417E+03 0.57398E-04 -0.43599E-04 4240 0.540E-02 0.189E-01 RMM: 7 -0.324369238738E+03 0.11868E-03 -0.24309E-04 3884 0.467E-02 0.146E-01 RMM: 8 -0.324369098164E+03 0.14057E-03 -0.83473E-05 3579 0.276E-02 0.419E-02 RMM: 9 -0.324369101837E+03 -0.36732E-05 -0.21453E-05 2589 0.136E-02 1033 T= 6866. E= 0.68659657E+03 F= 0.62979305E+03 E0= 0.65872663E+03 EK= 0.56804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323737818866E+03 0.63128E+00 -0.18907E-01 7716 0.246E+01 0.407E-01 RMM: 2 -0.323751968523E+03 -0.14150E-01 -0.10353E-01 5210 0.743E-01 0.109E+00 RMM: 3 -0.323743861490E+03 0.81070E-02 -0.10490E-02 5601 0.217E-01 0.279E-01 RMM: 4 -0.323744791882E+03 -0.93039E-03 -0.26973E-03 5282 0.132E-01 0.506E-01 RMM: 5 -0.323743185500E+03 0.16064E-02 -0.13373E-03 4631 0.101E-01 0.176E-01 RMM: 6 -0.323743149875E+03 0.35625E-04 -0.34492E-04 3967 0.481E-02 0.169E-01 RMM: 7 -0.323743079146E+03 0.70729E-04 -0.17383E-04 3880 0.401E-02 0.142E-01 RMM: 8 -0.323742944425E+03 0.13472E-03 -0.67154E-05 3452 0.243E-02 0.387E-02 RMM: 9 -0.323742948184E+03 -0.37589E-05 -0.19652E-05 2562 0.127E-02 1034 T= 6523. E= 0.68394228E+03 F= 0.62998250E+03 E0= 0.65892643E+03 EK= 0.53960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323053284638E+03 0.68966E+00 -0.17841E-01 7848 0.238E+01 0.425E-01 RMM: 2 -0.323064569135E+03 -0.11284E-01 -0.95360E-02 5182 0.701E-01 0.942E-01 RMM: 3 -0.323058470424E+03 0.60987E-02 -0.99227E-03 5450 0.217E-01 0.338E-01 RMM: 4 -0.323059666546E+03 -0.11961E-02 -0.28289E-03 5287 0.136E-01 0.563E-01 RMM: 5 -0.323057629727E+03 0.20368E-02 -0.12791E-03 4613 0.976E-02 0.168E-01 RMM: 6 -0.323057551451E+03 0.78276E-04 -0.27900E-04 3901 0.431E-02 0.137E-01 RMM: 7 -0.323057516758E+03 0.34693E-04 -0.13444E-04 3884 0.342E-02 0.128E-01 RMM: 8 -0.323057406408E+03 0.11035E-03 -0.61590E-05 3417 0.232E-02 0.342E-02 RMM: 9 -0.323057414457E+03 -0.80491E-05 -0.18236E-05 2564 0.122E-02 1035 T= 6164. E= 0.68121643E+03 F= 0.63022382E+03 E0= 0.65917761E+03 EK= 0.50993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322428727405E+03 0.62868E+00 -0.17305E-01 7644 0.231E+01 0.444E-01 RMM: 2 -0.322440420579E+03 -0.11693E-01 -0.90308E-02 5220 0.688E-01 0.104E+00 RMM: 3 -0.322433077177E+03 0.73434E-02 -0.92116E-03 5453 0.212E-01 0.323E-01 RMM: 4 -0.322434623161E+03 -0.15460E-02 -0.29725E-03 5295 0.137E-01 0.603E-01 RMM: 5 -0.322432292326E+03 0.23308E-02 -0.13579E-03 4617 0.102E-01 0.169E-01 RMM: 6 -0.322432179769E+03 0.11256E-03 -0.26507E-04 3911 0.417E-02 0.122E-01 RMM: 7 -0.322432162838E+03 0.16931E-04 -0.11227E-04 3866 0.312E-02 1036 T= 5920. E= 0.67937577E+03 F= 0.63039860E+03 E0= 0.65936233E+03 EK= 0.48977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321959477600E+03 0.47270E+00 -0.16924E-01 7632 0.228E+01 0.462E-01 RMM: 2 -0.321968612003E+03 -0.91344E-02 -0.91894E-02 5221 0.688E-01 0.828E-01 RMM: 3 -0.321964363046E+03 0.42490E-02 -0.97766E-03 5458 0.214E-01 0.414E-01 RMM: 4 -0.321965818689E+03 -0.14556E-02 -0.28975E-03 5280 0.136E-01 0.646E-01 RMM: 5 -0.321963099636E+03 0.27191E-02 -0.14499E-03 4613 0.103E-01 0.158E-01 RMM: 6 -0.321963074157E+03 0.25480E-04 -0.30261E-04 3926 0.446E-02 0.156E-01 RMM: 7 -0.321962994154E+03 0.80003E-04 -0.13397E-04 3884 0.338E-02 0.127E-01 RMM: 8 -0.321962889607E+03 0.10455E-03 -0.63994E-05 3451 0.233E-02 0.411E-02 RMM: 9 -0.321962905961E+03 -0.16353E-04 -0.28664E-05 2851 0.153E-02 1037 T= 5867. E= 0.67895291E+03 F= 0.63041609E+03 E0= 0.65938907E+03 EK= 0.48537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321696542723E+03 0.26635E+00 -0.17747E-01 7656 0.229E+01 0.369E-01 RMM: 2 -0.321707797980E+03 -0.11255E-01 -0.91655E-02 5251 0.674E-01 0.905E-01 RMM: 3 -0.321701968533E+03 0.58294E-02 -0.87064E-03 5501 0.194E-01 0.261E-01 RMM: 4 -0.321703028925E+03 -0.10604E-02 -0.22385E-03 5119 0.121E-01 0.503E-01 RMM: 5 -0.321701405244E+03 0.16237E-02 -0.97917E-04 4608 0.858E-02 0.143E-01 RMM: 6 -0.321701334776E+03 0.70467E-04 -0.21873E-04 3901 0.381E-02 0.111E-01 RMM: 7 -0.321701315288E+03 0.19488E-04 -0.86070E-05 3700 0.280E-02 1038 T= 6022. E= 0.68004874E+03 F= 0.63023132E+03 E0= 0.65921419E+03 EK= 0.49817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321640240921E+03 0.61094E-01 -0.18192E-01 8220 0.234E+01 0.411E-01 RMM: 2 -0.321648623179E+03 -0.83823E-02 -0.85145E-02 5327 0.676E-01 0.760E-01 RMM: 3 -0.321644917713E+03 0.37055E-02 -0.79533E-03 5498 0.196E-01 0.339E-01 RMM: 4 -0.321646052257E+03 -0.11345E-02 -0.24145E-03 5261 0.126E-01 0.561E-01 RMM: 5 -0.321643974752E+03 0.20775E-02 -0.13054E-03 4615 0.978E-02 0.143E-01 RMM: 6 -0.321644049739E+03 -0.74987E-04 -0.32528E-04 3908 0.470E-02 0.186E-01 RMM: 7 -0.321643894157E+03 0.15558E-03 -0.15894E-04 3883 0.384E-02 0.123E-01 RMM: 8 -0.321643797570E+03 0.96587E-04 -0.64916E-05 3451 0.234E-02 0.398E-02 RMM: 9 -0.321643813894E+03 -0.16324E-04 -0.27077E-05 2787 0.150E-02 1039 T= 6345. E= 0.68234398E+03 F= 0.62985373E+03 E0= 0.65884809E+03 EK= 0.52490E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321722692056E+03 -0.78894E-01 -0.19183E-01 8352 0.241E+01 0.317E-01 RMM: 2 -0.321734852567E+03 -0.12161E-01 -0.90939E-02 5349 0.696E-01 0.930E-01 RMM: 3 -0.321728749147E+03 0.61034E-02 -0.77137E-03 5612 0.186E-01 0.221E-01 RMM: 4 -0.321729243238E+03 -0.49409E-03 -0.16335E-03 4739 0.104E-01 0.389E-01 RMM: 5 -0.321728289433E+03 0.95381E-03 -0.91532E-04 4608 0.848E-02 0.141E-01 RMM: 6 -0.321728318802E+03 -0.29370E-04 -0.28949E-04 3908 0.441E-02 0.160E-01 RMM: 7 -0.321728215040E+03 0.10376E-03 -0.12696E-04 3852 0.355E-02 0.110E-01 RMM: 8 -0.321728133979E+03 0.81062E-04 -0.40456E-05 3157 0.193E-02 0.276E-02 RMM: 9 -0.321728134750E+03 -0.77175E-06 -0.10310E-05 2485 0.945E-03 1040 T= 6734. E= 0.68505663E+03 F= 0.62934831E+03 E0= 0.65835730E+03 EK= 0.55708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321841375871E+03 -0.11324E+00 -0.20333E-01 8304 0.248E+01 0.344E-01 RMM: 2 -0.321853124353E+03 -0.11748E-01 -0.10626E-01 5353 0.749E-01 0.790E-01 RMM: 3 -0.321848646618E+03 0.44777E-02 -0.89952E-03 5742 0.194E-01 0.267E-01 RMM: 4 -0.321849101506E+03 -0.45489E-03 -0.18351E-03 4865 0.112E-01 0.428E-01 RMM: 5 -0.321847995146E+03 0.11064E-02 -0.11807E-03 4610 0.949E-02 0.172E-01 RMM: 6 -0.321848035218E+03 -0.40072E-04 -0.38642E-04 4067 0.509E-02 0.194E-01 RMM: 7 -0.321847848508E+03 0.18671E-03 -0.19005E-04 3882 0.429E-02 0.111E-01 RMM: 8 -0.321847769634E+03 0.78874E-04 -0.43670E-05 3194 0.202E-02 0.374E-02 RMM: 9 -0.321847775217E+03 -0.55833E-05 -0.24811E-05 2590 0.146E-02 1041 T= 7037. E= 0.68703219E+03 F= 0.62882010E+03 E0= 0.65784772E+03 EK= 0.58212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321878695849E+03 -0.30926E-01 -0.20659E-01 8124 0.251E+01 0.333E-01 RMM: 2 -0.321894365805E+03 -0.15670E-01 -0.12218E-01 5255 0.808E-01 0.988E-01 RMM: 3 -0.321887567399E+03 0.67984E-02 -0.11466E-02 5829 0.216E-01 0.251E-01 RMM: 4 -0.321887685069E+03 -0.11767E-03 -0.16308E-03 4855 0.103E-01 0.356E-01 RMM: 5 -0.321886882472E+03 0.80260E-03 -0.11448E-03 4609 0.961E-02 0.146E-01 RMM: 6 -0.321887033856E+03 -0.15138E-03 -0.36780E-04 3942 0.496E-02 0.213E-01 RMM: 7 -0.321886797311E+03 0.23654E-03 -0.18004E-04 3875 0.423E-02 0.112E-01 RMM: 8 -0.321886717408E+03 0.79903E-04 -0.50078E-05 3284 0.209E-02 0.359E-02 RMM: 9 -0.321886722735E+03 -0.53276E-05 -0.16814E-05 2528 0.121E-02 1042 T= 7112. E= 0.68721803E+03 F= 0.62838009E+03 E0= 0.65742964E+03 EK= 0.58838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321755712764E+03 0.13100E+00 -0.20790E-01 7980 0.251E+01 0.351E-01 RMM: 2 -0.321768995421E+03 -0.13283E-01 -0.12582E-01 5338 0.795E-01 0.749E-01 RMM: 3 -0.321764380635E+03 0.46148E-02 -0.10460E-02 5733 0.211E-01 0.273E-01 RMM: 4 -0.321765061505E+03 -0.68087E-03 -0.20255E-03 5092 0.118E-01 0.469E-01 RMM: 5 -0.321763675328E+03 0.13862E-02 -0.10765E-03 4609 0.890E-02 0.149E-01 RMM: 6 -0.321763757674E+03 -0.82346E-04 -0.33898E-04 3936 0.476E-02 0.191E-01 RMM: 7 -0.321763595652E+03 0.16202E-03 -0.16206E-04 3881 0.393E-02 0.119E-01 RMM: 8 -0.321763504054E+03 0.91598E-04 -0.51424E-05 3304 0.213E-02 0.352E-02 RMM: 9 -0.321763510698E+03 -0.66440E-05 -0.19521E-05 2545 0.128E-02 1043 T= 6919. E= 0.68534293E+03 F= 0.62810297E+03 E0= 0.65717610E+03 EK= 0.57240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321453937209E+03 0.30957E+00 -0.20733E-01 8088 0.246E+01 0.383E-01 RMM: 2 -0.321469502248E+03 -0.15565E-01 -0.13096E-01 5201 0.809E-01 0.945E-01 RMM: 3 -0.321462720356E+03 0.67819E-02 -0.12110E-02 5712 0.228E-01 0.289E-01 RMM: 4 -0.321463431899E+03 -0.71154E-03 -0.24082E-03 5203 0.124E-01 0.473E-01 RMM: 5 -0.321462026385E+03 0.14055E-02 -0.11174E-03 4621 0.917E-02 0.170E-01 RMM: 6 -0.321461945242E+03 0.81142E-04 -0.29443E-04 3933 0.445E-02 0.140E-01 RMM: 7 -0.321461940666E+03 0.45767E-05 -0.14583E-04 3869 0.356E-02 1044 T= 6545. E= 0.68214047E+03 F= 0.62799889E+03 E0= 0.65709398E+03 EK= 0.54142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321021497187E+03 0.44045E+00 -0.19989E-01 8220 0.239E+01 0.462E-01 RMM: 2 -0.321035228538E+03 -0.13731E-01 -0.11798E-01 5336 0.772E-01 0.997E-01 RMM: 3 -0.321028151581E+03 0.70770E-02 -0.11164E-02 5496 0.234E-01 0.372E-01 RMM: 4 -0.321029586363E+03 -0.14348E-02 -0.29692E-03 5316 0.137E-01 0.615E-01 RMM: 5 -0.321027091012E+03 0.24954E-02 -0.14492E-03 4627 0.103E-01 0.168E-01 RMM: 6 -0.321027062781E+03 0.28231E-04 -0.30587E-04 3936 0.448E-02 0.164E-01 RMM: 7 -0.321026971690E+03 0.91092E-04 -0.15586E-04 3884 0.367E-02 0.129E-01 RMM: 8 -0.321026864170E+03 0.10752E-03 -0.68694E-05 3456 0.242E-02 0.405E-02 RMM: 9 -0.321026883547E+03 -0.19377E-04 -0.28187E-05 2793 0.151E-02 1045 T= 6144. E= 0.67884773E+03 F= 0.62801989E+03 E0= 0.65713446E+03 EK= 0.50828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320529244577E+03 0.49762E+00 -0.19155E-01 8472 0.232E+01 0.413E-01 RMM: 2 -0.320546243019E+03 -0.16998E-01 -0.11872E-01 5187 0.786E-01 0.116E+00 RMM: 3 -0.320536573744E+03 0.96693E-02 -0.12362E-02 5543 0.246E-01 0.348E-01 RMM: 4 -0.320536983767E+03 -0.41002E-03 -0.25920E-03 5180 0.123E-01 0.442E-01 RMM: 5 -0.320535992732E+03 0.99103E-03 -0.93497E-04 4610 0.820E-02 0.254E-01 RMM: 6 -0.320535567611E+03 0.42512E-03 -0.32206E-04 3928 0.477E-02 0.730E-02 RMM: 7 -0.320535644416E+03 -0.76805E-04 -0.10118E-04 3707 0.275E-02 0.133E-01 RMM: 8 -0.320535528276E+03 0.11614E-03 -0.46492E-05 3241 0.211E-02 0.359E-02 RMM: 9 -0.320535522261E+03 0.60151E-05 -0.11104E-05 2497 0.974E-03 1046 T= 5856. E= 0.67653574E+03 F= 0.62808989E+03 E0= 0.65721801E+03 EK= 0.48446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320052023292E+03 0.48350E+00 -0.18111E-01 8628 0.229E+01 0.443E-01 RMM: 2 -0.320065917079E+03 -0.13894E-01 -0.10595E-01 5340 0.713E-01 0.105E+00 RMM: 3 -0.320057694615E+03 0.82225E-02 -0.97102E-03 5459 0.218E-01 0.334E-01 RMM: 4 -0.320059117567E+03 -0.14230E-02 -0.29495E-03 5308 0.137E-01 0.584E-01 RMM: 5 -0.320056926179E+03 0.21914E-02 -0.12973E-03 4612 0.983E-02 0.197E-01 RMM: 6 -0.320056737076E+03 0.18910E-03 -0.28613E-04 3924 0.438E-02 0.116E-01 RMM: 7 -0.320056769699E+03 -0.32622E-04 -0.15233E-04 3890 0.344E-02 0.142E-01 RMM: 8 -0.320056633964E+03 0.13573E-03 -0.78303E-05 3543 0.260E-02 0.441E-02 RMM: 9 -0.320056631715E+03 0.22493E-05 -0.19590E-05 2558 0.129E-02 1047 T= 5762. E= 0.67581562E+03 F= 0.62814523E+03 E0= 0.65728061E+03 EK= 0.47670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319618444436E+03 0.43819E+00 -0.18564E-01 8460 0.229E+01 0.415E-01 RMM: 2 -0.319637659227E+03 -0.19215E-01 -0.11958E-01 5081 0.775E-01 0.128E+00 RMM: 3 -0.319625952893E+03 0.11706E-01 -0.12663E-02 5482 0.250E-01 0.330E-01 RMM: 4 -0.319626476899E+03 -0.52401E-03 -0.26853E-03 5265 0.125E-01 0.452E-01 RMM: 5 -0.319625432631E+03 0.10443E-02 -0.10573E-03 4610 0.878E-02 0.256E-01 RMM: 6 -0.319625021516E+03 0.41111E-03 -0.35373E-04 3945 0.498E-02 0.946E-02 RMM: 7 -0.319625098839E+03 -0.77322E-04 -0.14603E-04 3882 0.334E-02 0.146E-01 RMM: 8 -0.319624954877E+03 0.14396E-03 -0.71324E-05 3514 0.254E-02 0.435E-02 RMM: 9 -0.319624947213E+03 0.76637E-05 -0.15434E-05 2542 0.117E-02 1048 T= 5887. E= 0.67685729E+03 F= 0.62815843E+03 E0= 0.65729451E+03 EK= 0.48699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319224379354E+03 0.40058E+00 -0.19113E-01 8556 0.234E+01 0.383E-01 RMM: 2 -0.319243917163E+03 -0.19538E-01 -0.11774E-01 5255 0.743E-01 0.126E+00 RMM: 3 -0.319231940689E+03 0.11976E-01 -0.11473E-02 5479 0.232E-01 0.271E-01 RMM: 4 -0.319232707932E+03 -0.76724E-03 -0.24602E-03 5208 0.122E-01 0.462E-01 RMM: 5 -0.319231534403E+03 0.11735E-02 -0.10408E-03 4605 0.879E-02 0.228E-01 RMM: 6 -0.319231235241E+03 0.29916E-03 -0.29345E-04 3900 0.447E-02 0.972E-02 RMM: 7 -0.319231245394E+03 -0.10153E-04 -0.14024E-04 3884 0.358E-02 1049 T= 6199. E= 0.67943041E+03 F= 0.62814552E+03 E0= 0.65727547E+03 EK= 0.51285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318813172979E+03 0.41806E+00 -0.20602E-01 8496 0.241E+01 0.370E-01 RMM: 2 -0.318828727954E+03 -0.15555E-01 -0.13133E-01 5231 0.792E-01 0.916E-01 RMM: 3 -0.318822388506E+03 0.63394E-02 -0.12226E-02 5689 0.227E-01 0.312E-01 RMM: 4 -0.318822576910E+03 -0.18840E-03 -0.20052E-03 4980 0.110E-01 0.398E-01 RMM: 5 -0.318821666404E+03 0.91051E-03 -0.12364E-03 4610 0.973E-02 0.207E-01 RMM: 6 -0.318821503103E+03 0.16330E-03 -0.36958E-04 3961 0.502E-02 0.145E-01 RMM: 7 -0.318821498489E+03 0.46147E-05 -0.21123E-04 3892 0.437E-02 0.151E-01 RMM: 8 -0.318821347287E+03 0.15120E-03 -0.95008E-05 3687 0.290E-02 0.456E-02 RMM: 9 -0.318821348660E+03 -0.13726E-05 -0.22949E-05 2667 0.143E-02 1050 T= 6610. E= 0.68284869E+03 F= 0.62816465E+03 E0= 0.65728164E+03 EK= 0.54684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318306721760E+03 0.51463E+00 -0.22277E-01 8820 0.248E+01 0.308E-01 RMM: 2 -0.318326093213E+03 -0.19371E-01 -0.13324E-01 5329 0.780E-01 0.111E+00 RMM: 3 -0.318316361878E+03 0.97313E-02 -0.11579E-02 5635 0.225E-01 0.225E-01 RMM: 4 -0.318316560266E+03 -0.19839E-03 -0.15712E-03 4794 0.951E-02 0.324E-01 RMM: 5 -0.318315949815E+03 0.61045E-03 -0.75643E-04 4603 0.763E-02 0.158E-01 RMM: 6 -0.318315873742E+03 0.76074E-04 -0.24059E-04 3882 0.404E-02 0.120E-01 RMM: 7 -0.318315866122E+03 0.76196E-05 -0.11461E-04 3857 0.321E-02 1051 T= 6972. E= 0.68597288E+03 F= 0.62829504E+03 E0= 0.65739193E+03 EK= 0.57678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317639370897E+03 0.67650E+00 -0.22837E-01 9012 0.252E+01 0.374E-01 RMM: 2 -0.317654327760E+03 -0.14957E-01 -0.13943E-01 5455 0.793E-01 0.813E-01 RMM: 3 -0.317648879528E+03 0.54482E-02 -0.11003E-02 5842 0.212E-01 0.296E-01 RMM: 4 -0.317649358720E+03 -0.47919E-03 -0.19779E-03 4868 0.111E-01 0.445E-01 RMM: 5 -0.317648055517E+03 0.13032E-02 -0.13061E-03 4610 0.999E-02 0.149E-01 RMM: 6 -0.317648175364E+03 -0.11985E-03 -0.39406E-04 4023 0.516E-02 0.209E-01 RMM: 7 -0.317647980414E+03 0.19495E-03 -0.20962E-04 3887 0.451E-02 0.128E-01 RMM: 8 -0.317647875596E+03 0.10482E-03 -0.68663E-05 3481 0.242E-02 0.449E-02 RMM: 9 -0.317647884307E+03 -0.87113E-05 -0.28109E-05 2778 0.156E-02 1052 T= 7129. E= 0.68757621E+03 F= 0.62859971E+03 E0= 0.65766933E+03 EK= 0.58976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316803104426E+03 0.84477E+00 -0.22980E-01 8628 0.251E+01 0.338E-01 RMM: 2 -0.316823787434E+03 -0.20683E-01 -0.14819E-01 5441 0.808E-01 0.112E+00 RMM: 3 -0.316813653719E+03 0.10134E-01 -0.12050E-02 5669 0.226E-01 0.270E-01 RMM: 4 -0.316813688931E+03 -0.35211E-04 -0.17657E-03 4841 0.994E-02 0.319E-01 RMM: 5 -0.316813222980E+03 0.46595E-03 -0.68796E-04 4602 0.709E-02 0.212E-01 RMM: 6 -0.316812950311E+03 0.27267E-03 -0.24803E-04 3907 0.416E-02 0.754E-02 RMM: 7 -0.316813023388E+03 -0.73077E-04 -0.10611E-04 3797 0.290E-02 0.132E-01 RMM: 8 -0.316812907155E+03 0.11623E-03 -0.48290E-05 3285 0.216E-02 0.334E-02 RMM: 9 -0.316812902514E+03 0.46411E-05 -0.10341E-05 2495 0.932E-03 1053 T= 7008. E= 0.68705197E+03 F= 0.62907714E+03 E0= 0.65811487E+03 EK= 0.57975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315868810309E+03 0.94410E+00 -0.21935E-01 8820 0.245E+01 0.394E-01 RMM: 2 -0.315884361857E+03 -0.15552E-01 -0.13572E-01 5519 0.771E-01 0.919E-01 RMM: 3 -0.315877392969E+03 0.69689E-02 -0.10020E-02 5557 0.212E-01 0.291E-01 RMM: 4 -0.315878390035E+03 -0.99707E-03 -0.24735E-03 5176 0.123E-01 0.500E-01 RMM: 5 -0.315876786215E+03 0.16038E-02 -0.10254E-03 4617 0.862E-02 0.178E-01 RMM: 6 -0.315876637821E+03 0.14839E-03 -0.26133E-04 3911 0.417E-02 0.111E-01 RMM: 7 -0.315876677309E+03 -0.39488E-04 -0.12507E-04 3880 0.324E-02 0.141E-01 RMM: 8 -0.315876543376E+03 0.13393E-03 -0.59598E-05 3395 0.230E-02 0.355E-02 RMM: 9 -0.315876544480E+03 -0.11041E-05 -0.18213E-05 2551 0.123E-02 1054 T= 6671. E= 0.68484672E+03 F= 0.62965580E+03 E0= 0.65865985E+03 EK= 0.55191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314940922065E+03 0.93562E+00 -0.20709E-01 8820 0.237E+01 0.390E-01 RMM: 2 -0.314958802105E+03 -0.17880E-01 -0.12562E-01 5372 0.764E-01 0.114E+00 RMM: 3 -0.314948823119E+03 0.99790E-02 -0.10765E-02 5516 0.223E-01 0.268E-01 RMM: 4 -0.314949903195E+03 -0.10801E-02 -0.24366E-03 5192 0.121E-01 0.499E-01 RMM: 5 -0.314948379958E+03 0.15232E-02 -0.91995E-04 4604 0.821E-02 0.185E-01 RMM: 6 -0.314948171735E+03 0.20822E-03 -0.20008E-04 3879 0.363E-02 0.726E-02 RMM: 7 -0.314948227393E+03 -0.55658E-04 -0.98151E-05 3771 0.274E-02 0.122E-01 RMM: 8 -0.314948125698E+03 0.10169E-03 -0.47713E-05 3259 0.213E-02 0.304E-02 RMM: 9 -0.314948126351E+03 -0.65315E-06 -0.12821E-05 2512 0.103E-02 1055 T= 6272. E= 0.68211176E+03 F= 0.63022277E+03 E0= 0.65919424E+03 EK= 0.51889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314129574880E+03 0.81855E+00 -0.18840E-01 8772 0.230E+01 0.389E-01 RMM: 2 -0.314142737912E+03 -0.13163E-01 -0.10695E-01 5411 0.702E-01 0.950E-01 RMM: 3 -0.314135858355E+03 0.68796E-02 -0.89363E-03 5459 0.205E-01 0.270E-01 RMM: 4 -0.314136913071E+03 -0.10547E-02 -0.22952E-03 5111 0.118E-01 0.493E-01 RMM: 5 -0.314135345054E+03 0.15680E-02 -0.91937E-04 4610 0.815E-02 0.160E-01 RMM: 6 -0.314135205836E+03 0.13922E-03 -0.19264E-04 3890 0.356E-02 0.870E-02 RMM: 7 -0.314135245780E+03 -0.39944E-04 -0.85761E-05 3624 0.264E-02 0.124E-01 RMM: 8 -0.314135141749E+03 0.10403E-03 -0.45045E-05 3209 0.207E-02 0.260E-02 RMM: 9 -0.314135147864E+03 -0.61151E-05 -0.15081E-05 2525 0.110E-02 1056 T= 5962. E= 0.67999076E+03 F= 0.63067043E+03 E0= 0.65961338E+03 EK= 0.49320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313498049229E+03 0.63709E+00 -0.17832E-01 8640 0.226E+01 0.352E-01 RMM: 2 -0.313508717839E+03 -0.10669E-01 -0.96725E-02 5393 0.661E-01 0.767E-01 RMM: 3 -0.313504033186E+03 0.46847E-02 -0.78357E-03 5559 0.184E-01 0.270E-01 RMM: 4 -0.313504889335E+03 -0.85615E-03 -0.19252E-03 4921 0.111E-01 0.471E-01 RMM: 5 -0.313503453990E+03 0.14353E-02 -0.86512E-04 4604 0.795E-02 0.133E-01 RMM: 6 -0.313503388863E+03 0.65127E-04 -0.17419E-04 3880 0.334E-02 0.992E-02 RMM: 7 -0.313503374573E+03 0.14289E-04 -0.75022E-05 3605 0.260E-02 1057 T= 5835. E= 0.67920367E+03 F= 0.63093641E+03 E0= 0.65985622E+03 EK= 0.48267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313054029724E+03 0.44936E+00 -0.17934E-01 8652 0.226E+01 0.357E-01 RMM: 2 -0.313064420721E+03 -0.10391E-01 -0.94381E-02 5307 0.663E-01 0.764E-01 RMM: 3 -0.313059998192E+03 0.44225E-02 -0.83005E-03 5583 0.187E-01 0.279E-01 RMM: 4 -0.313060689775E+03 -0.69158E-03 -0.19694E-03 4955 0.112E-01 0.456E-01 RMM: 5 -0.313059339683E+03 0.13501E-02 -0.97915E-04 4608 0.845E-02 0.142E-01 RMM: 6 -0.313059322710E+03 0.16973E-04 -0.22731E-04 3900 0.388E-02 0.141E-01 RMM: 7 -0.313059243582E+03 0.79128E-04 -0.12085E-04 3871 0.338E-02 0.102E-01 RMM: 8 -0.313059175528E+03 0.68054E-04 -0.46008E-05 3210 0.204E-02 0.340E-02 RMM: 9 -0.313059186699E+03 -0.11170E-04 -0.16440E-05 2543 0.116E-02 1058 T= 5921. E= 0.68000466E+03 F= 0.63101977E+03 E0= 0.65992081E+03 EK= 0.48985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312743381533E+03 0.31579E+00 -0.18800E-01 8760 0.231E+01 0.268E-01 RMM: 2 -0.312754521320E+03 -0.11140E-01 -0.97103E-02 5244 0.671E-01 0.717E-01 RMM: 3 -0.312750371204E+03 0.41501E-02 -0.85551E-03 5708 0.185E-01 0.202E-01 RMM: 4 -0.312750675824E+03 -0.30462E-03 -0.11602E-03 4671 0.851E-02 0.333E-01 RMM: 5 -0.312749962225E+03 0.71360E-03 -0.62687E-04 4594 0.697E-02 0.120E-01 RMM: 6 -0.312749958713E+03 0.35118E-05 -0.23976E-04 3896 0.400E-02 0.123E-01 RMM: 7 -0.312749897182E+03 0.61531E-04 -0.87918E-05 3678 0.301E-02 0.844E-02 RMM: 8 -0.312749850388E+03 0.46794E-04 -0.17733E-05 2576 0.134E-02 0.233E-02 RMM: 9 -0.312749849818E+03 0.57038E-06 -0.74077E-06 2466 0.800E-03 1059 T= 6195. E= 0.68222906E+03 F= 0.63097864E+03 E0= 0.65986455E+03 EK= 0.51250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312467440516E+03 0.28241E+00 -0.20407E-01 8772 0.238E+01 0.290E-01 RMM: 2 -0.312480336861E+03 -0.12896E-01 -0.11327E-01 5176 0.741E-01 0.762E-01 RMM: 3 -0.312475880268E+03 0.44566E-02 -0.10637E-02 5891 0.198E-01 0.227E-01 RMM: 4 -0.312475832728E+03 0.47540E-04 -0.12891E-03 4766 0.913E-02 0.294E-01 RMM: 5 -0.312475305777E+03 0.52695E-03 -0.83955E-04 4608 0.809E-02 0.151E-01 RMM: 6 -0.312475342074E+03 -0.36297E-04 -0.26903E-04 3897 0.425E-02 0.170E-01 RMM: 7 -0.312475189231E+03 0.15284E-03 -0.15423E-04 3869 0.398E-02 0.944E-02 RMM: 8 -0.312475133148E+03 0.56083E-04 -0.37383E-05 3118 0.186E-02 0.361E-02 RMM: 9 -0.312475138104E+03 -0.49558E-05 -0.18682E-05 2549 0.127E-02 1060 T= 6570. E= 0.68527092E+03 F= 0.63091650E+03 E0= 0.65978954E+03 EK= 0.54354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312101626907E+03 0.37351E+00 -0.21830E-01 8664 0.246E+01 0.254E-01 RMM: 2 -0.312116645020E+03 -0.15018E-01 -0.13274E-01 5114 0.815E-01 0.756E-01 RMM: 3 -0.312112333690E+03 0.43113E-02 -0.13579E-02 6041 0.213E-01 0.213E-01 RMM: 4 -0.312111995650E+03 0.33804E-03 -0.94118E-04 4728 0.765E-02 0.218E-01 RMM: 5 -0.312111657032E+03 0.33862E-03 -0.63331E-04 4608 0.716E-02 0.121E-01 RMM: 6 -0.312111817842E+03 -0.16081E-03 -0.34638E-04 3965 0.477E-02 0.200E-01 RMM: 7 -0.312111609741E+03 0.20810E-03 -0.15333E-04 3882 0.380E-02 0.988E-02 RMM: 8 -0.312111545501E+03 0.64239E-04 -0.29189E-05 2935 0.163E-02 0.343E-02 RMM: 9 -0.312111546482E+03 -0.98120E-06 -0.18539E-05 2513 0.125E-02 1061 T= 6908. E= 0.68810294E+03 F= 0.63095692E+03 E0= 0.65981680E+03 EK= 0.57146E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311542075014E+03 0.56947E+00 -0.23629E-01 8328 0.252E+01 0.286E-01 RMM: 2 -0.311561799649E+03 -0.19725E-01 -0.15760E-01 5057 0.886E-01 0.961E-01 RMM: 3 -0.311554789527E+03 0.70101E-02 -0.16260E-02 5972 0.238E-01 0.233E-01 RMM: 4 -0.311554429720E+03 0.35981E-03 -0.12522E-03 4865 0.876E-02 0.238E-01 RMM: 5 -0.311554102068E+03 0.32765E-03 -0.65622E-04 4605 0.708E-02 0.162E-01 RMM: 6 -0.311554091925E+03 0.10143E-04 -0.30542E-04 3913 0.454E-02 0.159E-01 RMM: 7 -0.311554023091E+03 0.68834E-04 -0.14383E-04 3877 0.359E-02 0.131E-01 RMM: 8 -0.311553908986E+03 0.11411E-03 -0.58059E-05 3383 0.223E-02 0.342E-02 RMM: 9 -0.311553910711E+03 -0.17244E-05 -0.19228E-05 2550 0.127E-02 1062 T= 7060. E= 0.68960825E+03 F= 0.63120214E+03 E0= 0.66004779E+03 EK= 0.58406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310750108622E+03 0.80380E+00 -0.23774E-01 8088 0.252E+01 0.298E-01 RMM: 2 -0.310769953040E+03 -0.19844E-01 -0.16334E-01 5006 0.902E-01 0.943E-01 RMM: 3 -0.310763184299E+03 0.67687E-02 -0.16939E-02 5997 0.245E-01 0.234E-01 RMM: 4 -0.310762974017E+03 0.21028E-03 -0.14065E-03 4955 0.932E-02 0.277E-01 RMM: 5 -0.310762478395E+03 0.49562E-03 -0.62570E-04 4600 0.671E-02 0.145E-01 RMM: 6 -0.310762469821E+03 0.85740E-05 -0.27642E-04 3902 0.428E-02 0.146E-01 RMM: 7 -0.310762437430E+03 0.32392E-04 -0.12418E-04 3882 0.328E-02 0.133E-01 RMM: 8 -0.310762319069E+03 0.11836E-03 -0.49786E-05 3288 0.208E-02 0.333E-02 RMM: 9 -0.310762318897E+03 0.17231E-06 -0.15071E-05 2514 0.110E-02 1063 T= 6954. E= 0.68921701E+03 F= 0.63168743E+03 E0= 0.66051737E+03 EK= 0.57530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309767516243E+03 0.99480E+00 -0.23637E-01 8148 0.248E+01 0.336E-01 RMM: 2 -0.309787919445E+03 -0.20403E-01 -0.16299E-01 5062 0.898E-01 0.102E+00 RMM: 3 -0.309779967905E+03 0.79515E-02 -0.16304E-02 5881 0.249E-01 0.240E-01 RMM: 4 -0.309780240003E+03 -0.27210E-03 -0.18437E-03 5080 0.106E-01 0.371E-01 RMM: 5 -0.309779412975E+03 0.82703E-03 -0.62087E-04 4596 0.639E-02 0.175E-01 RMM: 6 -0.309779257521E+03 0.15545E-03 -0.22998E-04 3900 0.393E-02 0.978E-02 RMM: 7 -0.309779319932E+03 -0.62411E-04 -0.12764E-04 3865 0.309E-02 0.144E-01 RMM: 8 -0.309779181055E+03 0.13888E-03 -0.67443E-05 3475 0.242E-02 0.315E-02 RMM: 9 -0.309779179984E+03 0.10708E-05 -0.15339E-05 2528 0.111E-02 1064 T= 6642. E= 0.68731008E+03 F= 0.63236587E+03 E0= 0.66117919E+03 EK= 0.54944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308688664002E+03 0.10905E+01 -0.23354E-01 8340 0.241E+01 0.344E-01 RMM: 2 -0.308708061693E+03 -0.19398E-01 -0.15514E-01 5085 0.877E-01 0.999E-01 RMM: 3 -0.308700248777E+03 0.78129E-02 -0.15124E-02 5821 0.243E-01 0.247E-01 RMM: 4 -0.308700772901E+03 -0.52412E-03 -0.19788E-03 5094 0.111E-01 0.414E-01 RMM: 5 -0.308699668083E+03 0.11048E-02 -0.70162E-04 4598 0.693E-02 0.146E-01 RMM: 6 -0.308699561379E+03 0.10670E-03 -0.17546E-04 3885 0.339E-02 0.876E-02 RMM: 7 -0.308699605714E+03 -0.44336E-04 -0.10715E-04 3826 0.281E-02 0.125E-01 RMM: 8 -0.308699499590E+03 0.10612E-03 -0.53900E-05 3329 0.219E-02 0.311E-02 RMM: 9 -0.308699498000E+03 0.15901E-05 -0.12329E-05 2507 0.989E-03 1065 T= 6261. E= 0.68493799E+03 F= 0.63313979E+03 E0= 0.66193507E+03 EK= 0.51798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307608451747E+03 0.10910E+01 -0.22053E-01 8136 0.235E+01 0.353E-01 RMM: 2 -0.307626791492E+03 -0.18340E-01 -0.14990E-01 4948 0.881E-01 0.989E-01 RMM: 3 -0.307619841804E+03 0.69497E-02 -0.16141E-02 5797 0.250E-01 0.246E-01 RMM: 4 -0.307620486644E+03 -0.64484E-03 -0.20025E-03 5155 0.110E-01 0.432E-01 RMM: 5 -0.307619283520E+03 0.12031E-02 -0.65865E-04 4601 0.658E-02 0.160E-01 RMM: 6 -0.307619138397E+03 0.14512E-03 -0.20535E-04 3885 0.372E-02 0.801E-02 RMM: 7 -0.307619204924E+03 -0.66527E-04 -0.99250E-05 3784 0.270E-02 0.133E-01 RMM: 8 -0.307619082715E+03 0.12221E-03 -0.55390E-05 3343 0.223E-02 0.307E-02 RMM: 9 -0.307619081752E+03 0.96307E-06 -0.13811E-05 2512 0.105E-02 1066 T= 5956. E= 0.68318425E+03 F= 0.63391359E+03 E0= 0.66268896E+03 EK= 0.49271E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306582294078E+03 0.10368E+01 -0.20678E-01 8232 0.231E+01 0.323E-01 RMM: 2 -0.306598708984E+03 -0.16415E-01 -0.12753E-01 5082 0.790E-01 0.962E-01 RMM: 3 -0.306591719925E+03 0.69891E-02 -0.12594E-02 5701 0.221E-01 0.207E-01 RMM: 4 -0.306592328575E+03 -0.60865E-03 -0.17659E-03 5012 0.105E-01 0.402E-01 RMM: 5 -0.306591297787E+03 0.10308E-02 -0.63332E-04 4574 0.664E-02 0.135E-01 RMM: 6 -0.306591204944E+03 0.92844E-04 -0.14794E-04 3878 0.308E-02 0.798E-02 RMM: 7 -0.306591224811E+03 -0.19868E-04 -0.78309E-05 3584 0.252E-02 1067 T= 5818. E= 0.68276501E+03 F= 0.63463701E+03 E0= 0.66338964E+03 EK= 0.48128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305602950306E+03 0.98825E+00 -0.19574E-01 8520 0.230E+01 0.324E-01 RMM: 2 -0.305616335369E+03 -0.13385E-01 -0.11089E-01 5142 0.746E-01 0.858E-01 RMM: 3 -0.305611086183E+03 0.52492E-02 -0.11199E-02 5700 0.212E-01 0.246E-01 RMM: 4 -0.305611373910E+03 -0.28773E-03 -0.15772E-03 4835 0.971E-02 0.362E-01 RMM: 5 -0.305610532520E+03 0.84139E-03 -0.61122E-04 4581 0.644E-02 0.139E-01 RMM: 6 -0.305610486343E+03 0.46178E-04 -0.18634E-04 3886 0.355E-02 0.119E-01 RMM: 7 -0.305610472542E+03 0.13801E-04 -0.10785E-04 3845 0.300E-02 1068 T= 5881. E= 0.68396973E+03 F= 0.63532021E+03 E0= 0.66404610E+03 EK= 0.48650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304612806426E+03 0.99768E+00 -0.19464E-01 8724 0.234E+01 0.273E-01 RMM: 2 -0.304624288775E+03 -0.11482E-01 -0.99830E-02 5261 0.710E-01 0.736E-01 RMM: 3 -0.304620454406E+03 0.38344E-02 -0.92660E-03 5922 0.186E-01 0.218E-01 RMM: 4 -0.304620421565E+03 0.32841E-04 -0.11046E-03 4679 0.834E-02 0.269E-01 RMM: 5 -0.304619989172E+03 0.43239E-03 -0.52743E-04 4561 0.621E-02 0.142E-01 RMM: 6 -0.304619942598E+03 0.46574E-04 -0.20921E-04 3887 0.382E-02 0.119E-01 RMM: 7 -0.304619946586E+03 -0.39887E-05 -0.10578E-04 3837 0.304E-02 1069 T= 6126. E= 0.68670009E+03 F= 0.63602468E+03 E0= 0.66472060E+03 EK= 0.50675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303521526095E+03 0.10984E+01 -0.22144E-01 8520 0.239E+01 0.282E-01 RMM: 2 -0.303537706292E+03 -0.16180E-01 -0.12859E-01 5124 0.821E-01 0.907E-01 RMM: 3 -0.303531720202E+03 0.59861E-02 -0.13531E-02 5829 0.228E-01 0.224E-01 RMM: 4 -0.303531454410E+03 0.26579E-03 -0.11077E-03 4735 0.780E-02 0.222E-01 RMM: 5 -0.303531177590E+03 0.27682E-03 -0.50329E-04 4575 0.616E-02 0.146E-01 RMM: 6 -0.303531140394E+03 0.37197E-04 -0.27090E-04 3897 0.436E-02 0.131E-01 RMM: 7 -0.303531130203E+03 0.10191E-04 -0.12011E-04 3869 0.329E-02 1070 T= 6480. E= 0.69044635E+03 F= 0.63684189E+03 E0= 0.66550327E+03 EK= 0.53604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302237118184E+03 0.12940E+01 -0.23045E-01 8880 0.246E+01 0.272E-01 RMM: 2 -0.302254047629E+03 -0.16929E-01 -0.12587E-01 5182 0.812E-01 0.981E-01 RMM: 3 -0.302247245575E+03 0.68021E-02 -0.12883E-02 5824 0.223E-01 0.244E-01 RMM: 4 -0.302246801344E+03 0.44423E-03 -0.10455E-03 4704 0.762E-02 0.179E-01 RMM: 5 -0.302246652945E+03 0.14840E-03 -0.48457E-04 4587 0.608E-02 0.157E-01 RMM: 6 -0.302246584578E+03 0.68367E-04 -0.27336E-04 3900 0.440E-02 0.125E-01 RMM: 7 -0.302246630728E+03 -0.46150E-04 -0.13608E-04 3884 0.335E-02 0.152E-01 RMM: 8 -0.302246478983E+03 0.15174E-03 -0.63655E-05 3456 0.236E-02 0.440E-02 RMM: 9 -0.302246471433E+03 0.75495E-05 -0.17647E-05 2553 0.121E-02 1071 T= 6819. E= 0.69428486E+03 F= 0.63786975E+03 E0= 0.66649427E+03 EK= 0.56415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300689124433E+03 0.15574E+01 -0.24005E-01 8844 0.250E+01 0.238E-01 RMM: 2 -0.300707193817E+03 -0.18069E-01 -0.13261E-01 5091 0.817E-01 0.975E-01 RMM: 3 -0.300700009408E+03 0.71844E-02 -0.13175E-02 5744 0.229E-01 0.196E-01 RMM: 4 -0.300699783903E+03 0.22550E-03 -0.96881E-04 4741 0.716E-02 0.184E-01 RMM: 5 -0.300699550530E+03 0.23337E-03 -0.32579E-04 4271 0.503E-02 0.100E-01 RMM: 6 -0.300699561397E+03 -0.10867E-04 -0.18542E-04 3883 0.364E-02 1072 T= 7005. E= 0.69711906E+03 F= 0.63917266E+03 E0= 0.66775934E+03 EK= 0.57946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298870241210E+03 0.18293E+01 -0.23991E-01 8676 0.250E+01 0.413E-01 RMM: 2 -0.298914180483E+03 -0.43939E-01 -0.13884E-01 5072 0.863E-01 0.220E+00 RMM: 3 -0.298880285715E+03 0.33895E-01 -0.19693E-02 5376 0.333E-01 0.349E-01 RMM: 4 -0.298879585921E+03 0.69979E-03 -0.24752E-03 5287 0.107E-01 0.206E-01 RMM: 5 -0.298879634185E+03 -0.48264E-04 -0.71634E-04 4596 0.689E-02 0.255E-01 RMM: 6 -0.298879242464E+03 0.39172E-03 -0.35774E-04 3942 0.501E-02 0.105E-01 RMM: 7 -0.298879354919E+03 -0.11246E-03 -0.20656E-04 3888 0.390E-02 0.168E-01 RMM: 8 -0.298879174896E+03 0.18002E-03 -0.11165E-04 3845 0.318E-02 0.586E-02 RMM: 9 -0.298879159050E+03 0.15846E-04 -0.20633E-05 2648 0.135E-02 1073 T= 6949. E= 0.69824313E+03 F= 0.64075849E+03 E0= 0.66930717E+03 EK= 0.57485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.296828674279E+03 0.20505E+01 -0.22916E-01 8832 0.247E+01 0.366E-01 RMM: 2 -0.296867342737E+03 -0.38668E-01 -0.13384E-01 4951 0.835E-01 0.201E+00 RMM: 3 -0.296838522055E+03 0.28821E-01 -0.17496E-02 5381 0.316E-01 0.318E-01 RMM: 4 -0.296837940435E+03 0.58162E-03 -0.22822E-03 5276 0.104E-01 0.186E-01 RMM: 5 -0.296837955771E+03 -0.15336E-04 -0.41240E-04 4189 0.503E-02 0.210E-01 RMM: 6 -0.296837656121E+03 0.29965E-03 -0.17239E-04 3880 0.362E-02 0.539E-02 RMM: 7 -0.296837721089E+03 -0.64968E-04 -0.94659E-05 3700 0.256E-02 0.115E-01 RMM: 8 -0.296837633650E+03 0.87439E-04 -0.45185E-05 3212 0.212E-02 0.358E-02 RMM: 9 -0.296837626644E+03 0.70060E-05 -0.10158E-05 2489 0.907E-03 1074 T= 6677. E= 0.69781007E+03 F= 0.64257146E+03 E0= 0.67108513E+03 EK= 0.55239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.294662213690E+03 0.21754E+01 -0.21713E-01 8352 0.241E+01 0.318E-01 RMM: 2 -0.294686245699E+03 -0.24032E-01 -0.13856E-01 5041 0.846E-01 0.136E+00 RMM: 3 -0.294672891202E+03 0.13354E-01 -0.15002E-02 5506 0.267E-01 0.258E-01 RMM: 4 -0.294672759098E+03 0.13210E-03 -0.17826E-03 5097 0.967E-02 0.258E-01 RMM: 5 -0.294672457524E+03 0.30157E-03 -0.43561E-04 4319 0.526E-02 0.178E-01 RMM: 6 -0.294672256491E+03 0.20103E-03 -0.15905E-04 3880 0.338E-02 0.646E-02 RMM: 7 -0.294672331424E+03 -0.74933E-04 -0.10190E-04 3782 0.270E-02 0.126E-01 RMM: 8 -0.294672225219E+03 0.10620E-03 -0.50390E-05 3273 0.217E-02 0.357E-02 RMM: 9 -0.294672219655E+03 0.55643E-05 -0.12674E-05 2503 0.103E-02 1075 T= 6310. E= 0.69671363E+03 F= 0.64451221E+03 E0= 0.67299401E+03 EK= 0.52201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.292481722114E+03 0.21905E+01 -0.19855E-01 8064 0.235E+01 0.280E-01 RMM: 2 -0.292497059563E+03 -0.15337E-01 -0.12948E-01 5155 0.809E-01 0.823E-01 RMM: 3 -0.292491783169E+03 0.52764E-02 -0.12628E-02 5767 0.224E-01 0.209E-01 RMM: 4 -0.292491931261E+03 -0.14809E-03 -0.13234E-03 4893 0.882E-02 0.303E-01 RMM: 5 -0.292491330128E+03 0.60113E-03 -0.39911E-04 4111 0.513E-02 0.114E-01 RMM: 6 -0.292491267962E+03 0.62166E-04 -0.97020E-05 3728 0.269E-02 0.713E-02 RMM: 7 -0.292491301513E+03 -0.33552E-04 -0.72380E-05 3556 0.229E-02 0.106E-01 RMM: 8 -0.292491223669E+03 0.77845E-04 -0.40029E-05 3096 0.198E-02 0.249E-02 RMM: 9 -0.292491223180E+03 0.48893E-06 -0.10888E-05 2481 0.931E-03 1076 T= 5990. E= 0.69602294E+03 F= 0.64647237E+03 E0= 0.67492560E+03 EK= 0.49551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.290377669747E+03 0.21136E+01 -0.18703E-01 7920 0.231E+01 0.292E-01 RMM: 2 -0.290396012284E+03 -0.18343E-01 -0.13113E-01 5091 0.828E-01 0.106E+00 RMM: 3 -0.290387982534E+03 0.80298E-02 -0.13966E-02 5746 0.234E-01 0.241E-01 RMM: 4 -0.290387822870E+03 0.15966E-03 -0.14406E-03 4855 0.906E-02 0.253E-01 RMM: 5 -0.290387485721E+03 0.33715E-03 -0.35627E-04 3985 0.470E-02 0.154E-01 RMM: 6 -0.290387335731E+03 0.14999E-03 -0.11639E-04 3780 0.305E-02 0.546E-02 RMM: 7 -0.290387386517E+03 -0.50786E-04 -0.75329E-05 3544 0.234E-02 0.106E-01 RMM: 8 -0.290387312766E+03 0.73751E-04 -0.40052E-05 3073 0.201E-02 0.384E-02 RMM: 9 -0.290387304148E+03 0.86178E-05 -0.12241E-05 2495 0.102E-02 1077 T= 5823. E= 0.69653017E+03 F= 0.64836118E+03 E0= 0.67678804E+03 EK= 0.48169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.288422842108E+03 0.19645E+01 -0.18306E-01 7716 0.231E+01 0.280E-01 RMM: 2 -0.288440011311E+03 -0.17169E-01 -0.12508E-01 5119 0.808E-01 0.102E+00 RMM: 3 -0.288432675452E+03 0.73359E-02 -0.13397E-02 5764 0.228E-01 0.210E-01 RMM: 4 -0.288432632388E+03 0.43064E-04 -0.12587E-03 4786 0.834E-02 0.253E-01 RMM: 5 -0.288432270623E+03 0.36177E-03 -0.29976E-04 3905 0.423E-02 0.144E-01 RMM: 6 -0.288432147685E+03 0.12294E-03 -0.12439E-04 3838 0.311E-02 0.655E-02 RMM: 7 -0.288432203806E+03 -0.56122E-04 -0.84787E-05 3666 0.249E-02 0.115E-01 RMM: 8 -0.288432112230E+03 0.91577E-04 -0.47778E-05 3211 0.210E-02 0.348E-02 RMM: 9 -0.288432105933E+03 0.62964E-05 -0.12631E-05 2494 0.104E-02 1078 T= 5864. E= 0.69861845E+03 F= 0.65011004E+03 E0= 0.67851134E+03 EK= 0.48508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.286668566571E+03 0.17635E+01 -0.18581E-01 7752 0.235E+01 0.280E-01 RMM: 2 -0.286687436485E+03 -0.18870E-01 -0.12073E-01 5183 0.808E-01 0.116E+00 RMM: 3 -0.286678153484E+03 0.92830E-02 -0.13069E-02 5727 0.230E-01 0.252E-01 RMM: 4 -0.286677740836E+03 0.41265E-03 -0.12456E-03 4712 0.812E-02 0.172E-01 RMM: 5 -0.286677650986E+03 0.89850E-04 -0.28678E-04 3905 0.420E-02 0.159E-01 RMM: 6 -0.286677490428E+03 0.16056E-03 -0.11967E-04 3821 0.314E-02 0.585E-02 RMM: 7 -0.286677545724E+03 -0.55296E-04 -0.85015E-05 3638 0.248E-02 0.111E-01 RMM: 8 -0.286677463430E+03 0.82294E-04 -0.43735E-05 3148 0.209E-02 0.394E-02 RMM: 9 -0.286677454257E+03 0.91724E-05 -0.12327E-05 2495 0.103E-02 1079 T= 6116. E= 0.70226935E+03 F= 0.65167005E+03 E0= 0.68004448E+03 EK= 0.50599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.285153868110E+03 0.15236E+01 -0.19629E-01 7776 0.242E+01 0.265E-01 RMM: 2 -0.285172243338E+03 -0.18375E-01 -0.12941E-01 5182 0.835E-01 0.107E+00 RMM: 3 -0.285164326777E+03 0.79166E-02 -0.13864E-02 5770 0.232E-01 0.231E-01 RMM: 4 -0.285163914913E+03 0.41186E-03 -0.10894E-03 4716 0.743E-02 0.152E-01 RMM: 5 -0.285163833290E+03 0.81624E-04 -0.24836E-04 3898 0.398E-02 0.143E-01 RMM: 6 -0.285163713461E+03 0.11983E-03 -0.12751E-04 3864 0.319E-02 0.688E-02 RMM: 7 -0.285163778845E+03 -0.65385E-04 -0.93523E-05 3734 0.263E-02 0.123E-01 RMM: 8 -0.285163677133E+03 0.10171E-03 -0.49610E-05 3240 0.214E-02 0.418E-02 RMM: 9 -0.285163667108E+03 0.10025E-04 -0.13993E-05 2506 0.109E-02 1080 T= 6527. E= 0.70699924E+03 F= 0.65300252E+03 E0= 0.68134655E+03 EK= 0.53997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.283917144937E+03 0.12465E+01 -0.20897E-01 7788 0.250E+01 0.269E-01 RMM: 2 -0.283937996284E+03 -0.20851E-01 -0.13311E-01 5202 0.862E-01 0.122E+00 RMM: 3 -0.283928084173E+03 0.99121E-02 -0.14289E-02 5752 0.239E-01 0.256E-01 RMM: 4 -0.283927529928E+03 0.55424E-03 -0.11658E-03 4721 0.767E-02 0.133E-01 RMM: 5 -0.283927482821E+03 0.47107E-04 -0.25760E-04 3903 0.413E-02 0.140E-01 RMM: 6 -0.283927368730E+03 0.11409E-03 -0.11565E-04 3839 0.307E-02 0.670E-02 RMM: 7 -0.283927427507E+03 -0.58777E-04 -0.94489E-05 3725 0.264E-02 0.119E-01 RMM: 8 -0.283927332665E+03 0.94842E-04 -0.49276E-05 3235 0.216E-02 0.421E-02 RMM: 9 -0.283927322645E+03 0.10020E-04 -0.13721E-05 2506 0.109E-02 1081 T= 6973. E= 0.71175367E+03 F= 0.65407052E+03 E0= 0.68237868E+03 EK= 0.57683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.282989470986E+03 0.93786E+00 -0.22830E-01 7776 0.256E+01 0.251E-01 RMM: 2 -0.283009297100E+03 -0.19826E-01 -0.14380E-01 5160 0.896E-01 0.107E+00 RMM: 3 -0.283001546326E+03 0.77508E-02 -0.15120E-02 5816 0.241E-01 0.232E-01 RMM: 4 -0.283001065687E+03 0.48064E-03 -0.10461E-03 4765 0.726E-02 0.135E-01 RMM: 5 -0.283000989661E+03 0.76026E-04 -0.23028E-04 3892 0.393E-02 0.129E-01 RMM: 6 -0.283000899126E+03 0.90535E-04 -0.11998E-04 3838 0.308E-02 0.724E-02 RMM: 7 -0.283000962814E+03 -0.63688E-04 -0.97655E-05 3799 0.272E-02 0.125E-01 RMM: 8 -0.283000855441E+03 0.10737E-03 -0.49285E-05 3239 0.212E-02 0.397E-02 RMM: 9 -0.283000847677E+03 0.77638E-05 -0.14794E-05 2505 0.112E-02 1082 T= 7279. E= 0.71506047E+03 F= 0.65483943E+03 E0= 0.68310544E+03 EK= 0.60221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.282397216233E+03 0.60364E+00 -0.23009E-01 7812 0.259E+01 0.253E-01 RMM: 2 -0.282418386612E+03 -0.21170E-01 -0.14274E-01 5133 0.893E-01 0.117E+00 RMM: 3 -0.282409130325E+03 0.92563E-02 -0.14997E-02 5826 0.242E-01 0.215E-01 RMM: 4 -0.282408729487E+03 0.40084E-03 -0.10539E-03 4783 0.737E-02 0.148E-01 RMM: 5 -0.282408639477E+03 0.90010E-04 -0.23545E-04 3906 0.400E-02 0.126E-01 RMM: 6 -0.282408548451E+03 0.91026E-04 -0.11082E-04 3827 0.297E-02 0.684E-02 RMM: 7 -0.282408597772E+03 -0.49320E-04 -0.88332E-05 3675 0.258E-02 0.113E-01 RMM: 8 -0.282408509525E+03 0.88247E-04 -0.45148E-05 3172 0.209E-02 0.353E-02 RMM: 9 -0.282408503788E+03 0.57373E-05 -0.12692E-05 2493 0.103E-02 1083 T= 7305. E= 0.71570977E+03 F= 0.65528161E+03 E0= 0.68350007E+03 EK= 0.60428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.282148584086E+03 0.25993E+00 -0.22060E-01 7788 0.256E+01 0.224E-01 RMM: 2 -0.282166041836E+03 -0.17458E-01 -0.13921E-01 5064 0.877E-01 0.887E-01 RMM: 3 -0.282160401478E+03 0.56404E-02 -0.14761E-02 5946 0.230E-01 0.178E-01 RMM: 4 -0.282160130604E+03 0.27087E-03 -0.86969E-04 4804 0.702E-02 0.168E-01 RMM: 5 -0.282159972724E+03 0.15788E-03 -0.21150E-04 3896 0.378E-02 0.115E-01 RMM: 6 -0.282159907904E+03 0.64820E-04 -0.10453E-04 3717 0.286E-02 0.697E-02 RMM: 7 -0.282159950782E+03 -0.42878E-04 -0.72237E-05 3536 0.237E-02 0.110E-01 RMM: 8 -0.282159867946E+03 0.82836E-04 -0.38439E-05 3046 0.197E-02 0.292E-02 RMM: 9 -0.282159865247E+03 0.26989E-05 -0.11726E-05 2483 0.970E-03 1084 T= 7035. E= 0.71358222E+03 F= 0.65538397E+03 E0= 0.68355186E+03 EK= 0.58198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.282239000916E+03 -0.79133E-01 -0.20823E-01 7704 0.250E+01 0.236E-01 RMM: 2 -0.282257414066E+03 -0.18413E-01 -0.14386E-01 4914 0.897E-01 0.937E-01 RMM: 3 -0.282251226675E+03 0.61874E-02 -0.16117E-02 5904 0.243E-01 0.184E-01 RMM: 4 -0.282250978490E+03 0.24818E-03 -0.10196E-03 4880 0.760E-02 0.183E-01 RMM: 5 -0.282250818465E+03 0.16002E-03 -0.21846E-04 3895 0.375E-02 0.126E-01 RMM: 6 -0.282250720137E+03 0.98328E-04 -0.95611E-05 3664 0.279E-02 0.555E-02 RMM: 7 -0.282250756575E+03 -0.36438E-04 -0.64228E-05 3400 0.223E-02 0.945E-02 RMM: 8 -0.282250696164E+03 0.60411E-04 -0.35100E-05 2975 0.192E-02 0.323E-02 RMM: 9 -0.282250690987E+03 0.51776E-05 -0.10806E-05 2477 0.951E-03 1085 T= 6599. E= 0.70973694E+03 F= 0.65514801E+03 E0= 0.68326533E+03 EK= 0.54589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.282655423183E+03 -0.40473E+00 -0.19477E-01 7740 0.242E+01 0.243E-01 RMM: 2 -0.282673042530E+03 -0.17619E-01 -0.13423E-01 4874 0.870E-01 0.924E-01 RMM: 3 -0.282666761947E+03 0.62806E-02 -0.15350E-02 5818 0.243E-01 0.206E-01 RMM: 4 -0.282666478934E+03 0.28301E-03 -0.10710E-03 4916 0.772E-02 0.180E-01 RMM: 5 -0.282666334911E+03 0.14402E-03 -0.23490E-04 3891 0.383E-02 0.133E-01 RMM: 6 -0.282666225658E+03 0.10925E-03 -0.95886E-05 3625 0.282E-02 0.516E-02 RMM: 7 -0.282666262815E+03 -0.37157E-04 -0.56433E-05 3297 0.210E-02 0.924E-02 RMM: 8 -0.282666208124E+03 0.54691E-04 -0.33164E-05 2871 0.186E-02 0.392E-02 RMM: 9 -0.282666199276E+03 0.88479E-05 -0.12034E-05 2478 0.102E-02 1086 T= 6173. E= 0.70565598E+03 F= 0.65458733E+03 E0= 0.68265677E+03 EK= 0.51069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.283379465107E+03 -0.71326E+00 -0.18097E-01 7800 0.235E+01 0.234E-01 RMM: 2 -0.283395344214E+03 -0.15879E-01 -0.12321E-01 4853 0.836E-01 0.875E-01 RMM: 3 -0.283389788078E+03 0.55561E-02 -0.14203E-02 5817 0.236E-01 0.187E-01 RMM: 4 -0.283389598106E+03 0.18997E-03 -0.99854E-04 4829 0.743E-02 0.185E-01 RMM: 5 -0.283389438486E+03 0.15962E-03 -0.20397E-04 3892 0.363E-02 0.128E-01 RMM: 6 -0.283389335949E+03 0.10254E-03 -0.84724E-05 3575 0.267E-02 0.508E-02 RMM: 7 -0.283389367051E+03 -0.31101E-04 -0.56343E-05 3299 0.212E-02 0.870E-02 RMM: 8 -0.283389316524E+03 0.50527E-04 -0.33540E-05 2914 0.186E-02 0.337E-02 RMM: 9 -0.283389310677E+03 0.58470E-05 -0.10717E-05 2472 0.958E-03 1087 T= 5895. E= 0.70248568E+03 F= 0.65371954E+03 E0= 0.68174563E+03 EK= 0.48766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.284394292101E+03 -0.10050E+01 -0.17269E-01 7872 0.232E+01 0.224E-01 RMM: 2 -0.284409890389E+03 -0.15598E-01 -0.11475E-01 4862 0.805E-01 0.901E-01 RMM: 3 -0.284403954036E+03 0.59364E-02 -0.13206E-02 5787 0.227E-01 0.188E-01 RMM: 4 -0.284403705471E+03 0.24857E-03 -0.91611E-04 4758 0.710E-02 0.162E-01 RMM: 5 -0.284403590172E+03 0.11530E-03 -0.20260E-04 3892 0.377E-02 0.118E-01 RMM: 6 -0.284403506267E+03 0.83905E-04 -0.77578E-05 3504 0.256E-02 0.508E-02 RMM: 7 -0.284403539876E+03 -0.33609E-04 -0.51487E-05 3223 0.205E-02 0.892E-02 RMM: 8 -0.284403488343E+03 0.51532E-04 -0.32080E-05 2846 0.185E-02 0.356E-02 RMM: 9 -0.284403481167E+03 0.71765E-05 -0.10470E-05 2474 0.950E-03 1088 T= 5831. E= 0.70079866E+03 F= 0.65256305E+03 E0= 0.68055170E+03 EK= 0.48236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.285674121682E+03 -0.12706E+01 -0.17265E-01 7824 0.233E+01 0.205E-01 RMM: 2 -0.285689270512E+03 -0.15149E-01 -0.12114E-01 4830 0.823E-01 0.803E-01 RMM: 3 -0.285684469893E+03 0.48006E-02 -0.13965E-02 5881 0.227E-01 0.157E-01 RMM: 4 -0.285684219052E+03 0.25084E-03 -0.80270E-04 4743 0.666E-02 0.143E-01 RMM: 5 -0.285684104656E+03 0.11440E-03 -0.16979E-04 3895 0.352E-02 0.951E-02 RMM: 6 -0.285684063516E+03 0.41141E-04 -0.68335E-05 3429 0.237E-02 0.618E-02 RMM: 7 -0.285684092381E+03 -0.28866E-04 -0.53961E-05 3289 0.212E-02 0.933E-02 RMM: 8 -0.285684033083E+03 0.59298E-04 -0.33302E-05 2955 0.185E-02 0.284E-02 RMM: 9 -0.285684029826E+03 0.32566E-05 -0.99640E-06 2468 0.902E-03 1089 T= 5987. E= 0.70067342E+03 F= 0.65114493E+03 E0= 0.67910287E+03 EK= 0.49528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.287178412210E+03 -0.14944E+01 -0.17805E-01 7752 0.237E+01 0.188E-01 RMM: 2 -0.287194451252E+03 -0.16039E-01 -0.12924E-01 4849 0.848E-01 0.805E-01 RMM: 3 -0.287189799273E+03 0.46520E-02 -0.14988E-02 5973 0.225E-01 0.168E-01 RMM: 4 -0.287189423071E+03 0.37620E-03 -0.72056E-04 4687 0.646E-02 0.123E-01 RMM: 5 -0.287189332982E+03 0.90089E-04 -0.16276E-04 3907 0.367E-02 0.833E-02 RMM: 6 -0.287189311526E+03 0.21456E-04 -0.67107E-05 3401 0.233E-02 0.684E-02 RMM: 7 -0.287189329000E+03 -0.17475E-04 -0.49510E-05 3186 0.208E-02 1090 T= 6316. E= 0.70175572E+03 F= 0.64950874E+03 E0= 0.67744331E+03 EK= 0.52247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.288839854491E+03 -0.16505E+01 -0.18655E-01 7608 0.244E+01 0.184E-01 RMM: 2 -0.288856852031E+03 -0.16998E-01 -0.14616E-01 4848 0.904E-01 0.740E-01 RMM: 3 -0.288852964704E+03 0.38873E-02 -0.17386E-02 6070 0.235E-01 0.164E-01 RMM: 4 -0.288852506859E+03 0.45784E-03 -0.68719E-04 4776 0.632E-02 0.115E-01 RMM: 5 -0.288852414625E+03 0.92234E-04 -0.14776E-04 3924 0.359E-02 0.828E-02 RMM: 6 -0.288852426906E+03 -0.12281E-04 -0.78236E-05 3564 0.243E-02 1091 T= 6711. E= 0.70323834E+03 F= 0.64772223E+03 E0= 0.67564231E+03 EK= 0.55516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.290573252674E+03 -0.17208E+01 -0.19832E-01 7740 0.250E+01 0.296E-01 RMM: 2 -0.290600577425E+03 -0.27325E-01 -0.16107E-01 4846 0.953E-01 0.139E+00 RMM: 3 -0.290586817189E+03 0.13760E-01 -0.20386E-02 5514 0.309E-01 0.240E-01 RMM: 4 -0.290586357325E+03 0.45986E-03 -0.17335E-03 5245 0.775E-02 0.108E-01 RMM: 5 -0.290586285739E+03 0.71586E-04 -0.20152E-04 3936 0.396E-02 0.101E-01 RMM: 6 -0.290586232669E+03 0.53071E-04 -0.98339E-05 3824 0.282E-02 0.655E-02 RMM: 7 -0.290586283222E+03 -0.50554E-04 -0.68488E-05 3489 0.232E-02 0.113E-01 RMM: 8 -0.290586201172E+03 0.82050E-04 -0.41615E-05 3096 0.201E-02 0.442E-02 RMM: 9 -0.290586191234E+03 0.99381E-05 -0.14385E-05 2502 0.111E-02 1092 T= 7022. E= 0.70396179E+03 F= 0.64587203E+03 E0= 0.67378808E+03 EK= 0.58090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.292293364267E+03 -0.17072E+01 -0.20176E-01 7728 0.252E+01 0.308E-01 RMM: 2 -0.292323669517E+03 -0.30305E-01 -0.17122E-01 4803 0.999E-01 0.149E+00 RMM: 3 -0.292308148643E+03 0.15521E-01 -0.21049E-02 5528 0.309E-01 0.330E-01 RMM: 4 -0.292307263151E+03 0.88549E-03 -0.19036E-03 5152 0.936E-02 0.120E-01 RMM: 5 -0.292307243475E+03 0.19676E-04 -0.30124E-04 3918 0.428E-02 0.128E-01 RMM: 6 -0.292307133158E+03 0.11032E-03 -0.92771E-05 3738 0.268E-02 0.455E-02 RMM: 7 -0.292307159260E+03 -0.26102E-04 -0.52076E-05 3252 0.197E-02 0.834E-02 RMM: 8 -0.292307115253E+03 0.44007E-04 -0.31322E-05 2836 0.187E-02 0.284E-02 RMM: 9 -0.292307110850E+03 0.44034E-05 -0.79972E-06 2461 0.811E-03 1093 T= 7112. E= 0.70287855E+03 F= 0.64404024E+03 E0= 0.67195995E+03 EK= 0.58838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.293949116950E+03 -0.16420E+01 -0.19698E-01 7584 0.251E+01 0.220E-01 RMM: 2 -0.293968740398E+03 -0.19623E-01 -0.15330E-01 4844 0.920E-01 0.922E-01 RMM: 3 -0.293962627091E+03 0.61133E-02 -0.18091E-02 5868 0.255E-01 0.185E-01 RMM: 4 -0.293962203910E+03 0.42318E-03 -0.94374E-04 4836 0.686E-02 0.129E-01 RMM: 5 -0.293962108690E+03 0.95220E-04 -0.17938E-04 3904 0.368E-02 0.961E-02 RMM: 6 -0.293962066708E+03 0.41982E-04 -0.75535E-05 3504 0.246E-02 0.613E-02 RMM: 7 -0.293962095657E+03 -0.28949E-04 -0.60078E-05 3382 0.223E-02 0.953E-02 RMM: 8 -0.293962033210E+03 0.62447E-04 -0.35008E-05 2964 0.188E-02 0.287E-02 RMM: 9 -0.293962030027E+03 0.31833E-05 -0.10530E-05 2472 0.921E-03 1094 T= 6942. E= 0.69970875E+03 F= 0.64227821E+03 E0= 0.67020872E+03 EK= 0.57431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.295530740588E+03 -0.15687E+01 -0.19035E-01 7536 0.245E+01 0.225E-01 RMM: 2 -0.295549743576E+03 -0.19003E-01 -0.14873E-01 4871 0.907E-01 0.922E-01 RMM: 3 -0.295543584267E+03 0.61593E-02 -0.17337E-02 5934 0.244E-01 0.171E-01 RMM: 4 -0.295543220201E+03 0.36407E-03 -0.92509E-04 4804 0.705E-02 0.148E-01 RMM: 5 -0.295543113990E+03 0.10621E-03 -0.17879E-04 3887 0.356E-02 0.991E-02 RMM: 6 -0.295543053946E+03 0.60044E-04 -0.62960E-05 3375 0.229E-02 0.453E-02 RMM: 7 -0.295543074630E+03 -0.20684E-04 -0.35393E-05 2923 0.180E-02 0.755E-02 RMM: 8 -0.295543034662E+03 0.39968E-04 -0.25609E-05 2610 0.165E-02 0.242E-02 RMM: 9 -0.295543031997E+03 0.26647E-05 -0.76233E-06 2457 0.805E-03 1095 T= 6595. E= 0.69514976E+03 F= 0.64059247E+03 E0= 0.66853813E+03 EK= 0.54557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.297069148540E+03 -0.15261E+01 -0.17547E-01 7632 0.239E+01 0.194E-01 RMM: 2 -0.297083100026E+03 -0.13951E-01 -0.12106E-01 4916 0.816E-01 0.695E-01 RMM: 3 -0.297079664882E+03 0.34351E-02 -0.13918E-02 6011 0.215E-01 0.143E-01 RMM: 4 -0.297079430848E+03 0.23403E-03 -0.72494E-04 4678 0.648E-02 0.158E-01 RMM: 5 -0.297079280067E+03 0.15078E-03 -0.14773E-04 3860 0.321E-02 0.841E-02 RMM: 6 -0.297079239836E+03 0.40231E-04 -0.45262E-05 3125 0.200E-02 0.432E-02 RMM: 7 -0.297079258484E+03 -0.18647E-04 -0.35679E-05 2862 0.181E-02 1096 T= 6218. E= 0.69039177E+03 F= 0.63895341E+03 E0= 0.66691591E+03 EK= 0.51438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.298603100720E+03 -0.15239E+01 -0.16917E-01 7824 0.233E+01 0.190E-01 RMM: 2 -0.298615516132E+03 -0.12415E-01 -0.10270E-01 4940 0.757E-01 0.712E-01 RMM: 3 -0.298612012095E+03 0.35040E-02 -0.11959E-02 5946 0.202E-01 0.172E-01 RMM: 4 -0.298611734434E+03 0.27766E-03 -0.66843E-04 4632 0.615E-02 0.138E-01 RMM: 5 -0.298611614173E+03 0.12026E-03 -0.12657E-04 3803 0.291E-02 0.724E-02 RMM: 6 -0.298611589609E+03 0.24564E-04 -0.35720E-05 2962 0.180E-02 0.483E-02 RMM: 7 -0.298611605472E+03 -0.15863E-04 -0.44139E-05 3084 0.193E-02 1097 T= 5941. E= 0.68647150E+03 F= 0.63732073E+03 E0= 0.66530015E+03 EK= 0.49151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300159092349E+03 -0.15475E+01 -0.16825E-01 7860 0.230E+01 0.175E-01 RMM: 2 -0.300170580300E+03 -0.11488E-01 -0.10008E-01 4890 0.748E-01 0.638E-01 RMM: 3 -0.300167719374E+03 0.28609E-02 -0.11590E-02 6002 0.194E-01 0.138E-01 RMM: 4 -0.300167490171E+03 0.22920E-03 -0.59952E-04 4627 0.590E-02 0.132E-01 RMM: 5 -0.300167400208E+03 0.89962E-04 -0.11777E-04 3750 0.290E-02 0.864E-02 RMM: 6 -0.300167356000E+03 0.44209E-04 -0.42936E-05 3086 0.198E-02 0.373E-02 RMM: 7 -0.300167372677E+03 -0.16678E-04 -0.27445E-05 2619 0.158E-02 1098 T= 5839. E= 0.68397523E+03 F= 0.63566858E+03 E0= 0.66366274E+03 EK= 0.48307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301735690433E+03 -0.15683E+01 -0.16910E-01 7752 0.231E+01 0.167E-01 RMM: 2 -0.301747152811E+03 -0.11462E-01 -0.97574E-02 4862 0.741E-01 0.656E-01 RMM: 3 -0.301744193256E+03 0.29596E-02 -0.11586E-02 5964 0.196E-01 0.146E-01 RMM: 4 -0.301743899827E+03 0.29343E-03 -0.53910E-04 4675 0.536E-02 0.946E-02 RMM: 5 -0.301743838345E+03 0.61482E-04 -0.97047E-05 3700 0.276E-02 0.635E-02 RMM: 6 -0.301743823827E+03 0.14518E-04 -0.37853E-05 2966 0.182E-02 1099 T= 5929. E= 0.68305152E+03 F= 0.63400148E+03 E0= 0.66200811E+03 EK= 0.49050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303290879124E+03 -0.15470E+01 -0.17688E-01 7704 0.236E+01 0.227E-01 RMM: 2 -0.303309742974E+03 -0.18864E-01 -0.98655E-02 4863 0.754E-01 0.123E+00 RMM: 3 -0.303299253820E+03 0.10489E-01 -0.12372E-02 5487 0.237E-01 0.221E-01 RMM: 4 -0.303298859150E+03 0.39467E-03 -0.10404E-03 4748 0.660E-02 0.797E-02 RMM: 5 -0.303298826880E+03 0.32270E-04 -0.14317E-04 3870 0.311E-02 0.790E-02 RMM: 6 -0.303298791483E+03 0.35397E-04 -0.39985E-05 2944 0.186E-02 0.514E-02 RMM: 7 -0.303298813395E+03 -0.21912E-04 -0.47154E-05 3188 0.199E-02 0.830E-02 RMM: 8 -0.303298764326E+03 0.49069E-04 -0.32953E-05 2852 0.172E-02 0.318E-02 RMM: 9 -0.303298759482E+03 0.48441E-05 -0.11843E-05 2471 0.981E-03 1100 T= 6179. E= 0.68347690E+03 F= 0.63236304E+03 E0= 0.66037879E+03 EK= 0.51114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304746860663E+03 -0.14481E+01 -0.19244E-01 7704 0.243E+01 0.253E-01 RMM: 2 -0.304769851366E+03 -0.22991E-01 -0.11876E-01 4788 0.840E-01 0.136E+00 RMM: 3 -0.304756836775E+03 0.13015E-01 -0.14642E-02 5488 0.260E-01 0.244E-01 RMM: 4 -0.304756355639E+03 0.48114E-03 -0.13404E-03 4823 0.781E-02 0.965E-02 RMM: 5 -0.304756333449E+03 0.22190E-04 -0.19830E-04 3869 0.356E-02 0.998E-02 RMM: 6 -0.304756266765E+03 0.66684E-04 -0.51611E-05 3205 0.209E-02 0.355E-02 RMM: 7 -0.304756278148E+03 -0.11383E-04 -0.30103E-05 2654 0.166E-02 1101 T= 6507. E= 0.68466352E+03 F= 0.63082991E+03 E0= 0.65885174E+03 EK= 0.53834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306012018359E+03 -0.12558E+01 -0.20631E-01 7632 0.249E+01 0.180E-01 RMM: 2 -0.306028929854E+03 -0.16911E-01 -0.12500E-01 4803 0.853E-01 0.911E-01 RMM: 3 -0.306023190863E+03 0.57390E-02 -0.15350E-02 5884 0.231E-01 0.181E-01 RMM: 4 -0.306022751296E+03 0.43957E-03 -0.73831E-04 4817 0.607E-02 0.786E-02 RMM: 5 -0.306022704566E+03 0.46730E-04 -0.11089E-04 3852 0.296E-02 0.670E-02 RMM: 6 -0.306022691488E+03 0.13078E-04 -0.32934E-05 2599 0.167E-02 1102 T= 6796. E= 0.68571948E+03 F= 0.62949570E+03 E0= 0.65752088E+03 EK= 0.56224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307007139616E+03 -0.98444E+00 -0.21507E-01 7728 0.254E+01 0.272E-01 RMM: 2 -0.307031964112E+03 -0.24824E-01 -0.13183E-01 4769 0.884E-01 0.139E+00 RMM: 3 -0.307018426237E+03 0.13538E-01 -0.17294E-02 5477 0.284E-01 0.251E-01 RMM: 4 -0.307017942432E+03 0.48381E-03 -0.14980E-03 4994 0.750E-02 0.903E-02 RMM: 5 -0.307017895911E+03 0.46521E-04 -0.17493E-04 3953 0.338E-02 0.812E-02 RMM: 6 -0.307017858838E+03 0.37072E-04 -0.45876E-05 3048 0.198E-02 0.554E-02 RMM: 7 -0.307017880540E+03 -0.21702E-04 -0.42661E-05 3055 0.191E-02 0.860E-02 RMM: 8 -0.307017828497E+03 0.52044E-04 -0.42406E-05 2894 0.185E-02 0.406E-02 RMM: 9 -0.307017819478E+03 0.90185E-05 -0.17519E-05 2502 0.122E-02 1103 T= 6927. E= 0.68574200E+03 F= 0.62843998E+03 E0= 0.65646910E+03 EK= 0.57302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307704088991E+03 -0.68626E+00 -0.21857E-01 7548 0.254E+01 0.294E-01 RMM: 2 -0.307730678646E+03 -0.26590E-01 -0.14704E-01 4705 0.931E-01 0.144E+00 RMM: 3 -0.307716468266E+03 0.14210E-01 -0.18842E-02 5502 0.294E-01 0.296E-01 RMM: 4 -0.307715805894E+03 0.66237E-03 -0.17854E-03 5067 0.895E-02 0.116E-01 RMM: 5 -0.307715800319E+03 0.55744E-05 -0.25709E-04 3911 0.367E-02 0.126E-01 RMM: 6 -0.307715695769E+03 0.10455E-03 -0.68766E-05 3461 0.234E-02 0.348E-02 RMM: 7 -0.307715697211E+03 -0.14420E-05 -0.21543E-05 2547 0.136E-02 1104 T= 6843. E= 0.68430083E+03 F= 0.62768800E+03 E0= 0.65572192E+03 EK= 0.56613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308148159974E+03 -0.43246E+00 -0.21798E-01 7632 0.250E+01 0.218E-01 RMM: 2 -0.308168083293E+03 -0.19923E-01 -0.13787E-01 4728 0.893E-01 0.105E+00 RMM: 3 -0.308160388822E+03 0.76945E-02 -0.17264E-02 5747 0.257E-01 0.210E-01 RMM: 4 -0.308159928875E+03 0.45995E-03 -0.10119E-03 4783 0.698E-02 0.992E-02 RMM: 5 -0.308159879437E+03 0.49438E-04 -0.15168E-04 4021 0.315E-02 0.806E-02 RMM: 6 -0.308159840839E+03 0.38598E-04 -0.39844E-05 2989 0.183E-02 0.463E-02 RMM: 7 -0.308159860033E+03 -0.19194E-04 -0.40569E-05 2920 0.187E-02 1105 T= 6590. E= 0.68171402E+03 F= 0.62719577E+03 E0= 0.65523835E+03 EK= 0.54518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308434604516E+03 -0.27476E+00 -0.21101E-01 7800 0.244E+01 0.214E-01 RMM: 2 -0.308453028234E+03 -0.18424E-01 -0.14603E-01 4698 0.908E-01 0.890E-01 RMM: 3 -0.308447548462E+03 0.54798E-02 -0.18666E-02 5894 0.254E-01 0.164E-01 RMM: 4 -0.308447168297E+03 0.38016E-03 -0.96393E-04 4929 0.683E-02 0.123E-01 RMM: 5 -0.308447089374E+03 0.78923E-04 -0.14489E-04 3913 0.324E-02 0.803E-02 RMM: 6 -0.308447048175E+03 0.41199E-04 -0.37807E-05 2962 0.182E-02 0.327E-02 RMM: 7 -0.308447051163E+03 -0.29878E-05 -0.18882E-05 2512 0.140E-02 1106 T= 6280. E= 0.67882144E+03 F= 0.62686652E+03 E0= 0.65492222E+03 EK= 0.51955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308670840049E+03 -0.22379E+00 -0.22483E-01 7800 0.238E+01 0.210E-01 RMM: 2 -0.308692641438E+03 -0.21801E-01 -0.16579E-01 4681 0.969E-01 0.960E-01 RMM: 3 -0.308685605310E+03 0.70361E-02 -0.20203E-02 5880 0.266E-01 0.207E-01 RMM: 4 -0.308685025512E+03 0.57980E-03 -0.10737E-03 4851 0.734E-02 0.943E-02 RMM: 5 -0.308684990040E+03 0.35472E-04 -0.16331E-04 4032 0.321E-02 0.820E-02 RMM: 6 -0.308684947443E+03 0.42597E-04 -0.35760E-05 2907 0.175E-02 0.402E-02 RMM: 7 -0.308684952186E+03 -0.47433E-05 -0.21899E-05 2535 0.146E-02 1107 T= 6033. E= 0.67650032E+03 F= 0.62659302E+03 E0= 0.65466597E+03 EK= 0.49907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308942725214E+03 -0.25778E+00 -0.20707E-01 7956 0.234E+01 0.194E-01 RMM: 2 -0.308960124850E+03 -0.17400E-01 -0.13946E-01 4718 0.880E-01 0.834E-01 RMM: 3 -0.308954981256E+03 0.51436E-02 -0.16850E-02 5913 0.245E-01 0.162E-01 RMM: 4 -0.308954588260E+03 0.39300E-03 -0.82652E-04 4991 0.629E-02 0.934E-02 RMM: 5 -0.308954545701E+03 0.42559E-04 -0.11191E-04 3783 0.291E-02 0.700E-02 RMM: 6 -0.308954518120E+03 0.27581E-04 -0.28329E-05 2651 0.160E-02 0.352E-02 RMM: 7 -0.308954525632E+03 -0.75122E-05 -0.20174E-05 2530 0.141E-02 1108 T= 5928. E= 0.67533480E+03 F= 0.62629497E+03 E0= 0.65438892E+03 EK= 0.49040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309278105997E+03 -0.32359E+00 -0.20431E-01 8208 0.233E+01 0.161E-01 RMM: 2 -0.309293278643E+03 -0.15173E-01 -0.12986E-01 4845 0.824E-01 0.682E-01 RMM: 3 -0.309289531635E+03 0.37470E-02 -0.14904E-02 6129 0.221E-01 0.142E-01 RMM: 4 -0.309289168224E+03 0.36341E-03 -0.64279E-04 4683 0.592E-02 0.972E-02 RMM: 5 -0.309289113757E+03 0.54467E-04 -0.96171E-05 3664 0.275E-02 0.638E-02 RMM: 6 -0.309289091900E+03 0.21857E-04 -0.25993E-05 2594 0.154E-02 0.398E-02 RMM: 7 -0.309289095556E+03 -0.36557E-05 -0.22986E-05 2555 0.147E-02 1109 T= 5995. E= 0.67553607E+03 F= 0.62593959E+03 E0= 0.65405653E+03 EK= 0.49596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309656402625E+03 -0.36731E+00 -0.21845E-01 8520 0.234E+01 0.171E-01 RMM: 2 -0.309673434574E+03 -0.17032E-01 -0.14515E-01 5005 0.853E-01 0.735E-01 RMM: 3 -0.309668958782E+03 0.44758E-02 -0.15521E-02 6048 0.224E-01 0.141E-01 RMM: 4 -0.309668590156E+03 0.36863E-03 -0.69446E-04 4910 0.586E-02 0.921E-02 RMM: 5 -0.309668538808E+03 0.51348E-04 -0.89313E-05 3677 0.252E-02 0.626E-02 RMM: 6 -0.309668520516E+03 0.18292E-04 -0.23651E-05 2569 0.148E-02 1110 T= 6214. E= 0.67695672E+03 F= 0.62554721E+03 E0= 0.65368777E+03 EK= 0.51410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310018072885E+03 -0.34953E+00 -0.22617E-01 8388 0.238E+01 0.196E-01 RMM: 2 -0.310039854130E+03 -0.21781E-01 -0.15400E-01 5054 0.855E-01 0.104E+00 RMM: 3 -0.310031302461E+03 0.85517E-02 -0.15951E-02 5771 0.242E-01 0.189E-01 RMM: 4 -0.310030870365E+03 0.43210E-03 -0.94415E-04 4998 0.643E-02 0.958E-02 RMM: 5 -0.310030811747E+03 0.58618E-04 -0.10786E-04 3935 0.267E-02 0.697E-02 RMM: 6 -0.310030795221E+03 0.16525E-04 -0.22701E-05 2556 0.139E-02 1111 T= 6516. E= 0.67908638E+03 F= 0.62517968E+03 E0= 0.65334285E+03 EK= 0.53907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310284989587E+03 -0.25418E+00 -0.23614E-01 8784 0.243E+01 0.327E-01 RMM: 2 -0.310321838755E+03 -0.36849E-01 -0.14838E-01 5195 0.852E-01 0.187E+00 RMM: 3 -0.310296735986E+03 0.25103E-01 -0.18190E-02 5445 0.302E-01 0.310E-01 RMM: 4 -0.310295966064E+03 0.76992E-03 -0.19313E-03 4958 0.884E-02 0.934E-02 RMM: 5 -0.310295924750E+03 0.41314E-04 -0.21339E-04 4280 0.317E-02 0.898E-02 RMM: 6 -0.310295882471E+03 0.42280E-04 -0.32245E-05 2744 0.174E-02 0.608E-02 RMM: 7 -0.310295903669E+03 -0.21198E-04 -0.42480E-05 3022 0.187E-02 0.893E-02 RMM: 8 -0.310295849479E+03 0.54190E-04 -0.95128E-05 3886 0.215E-02 0.362E-02 RMM: 9 -0.310295849488E+03 -0.94205E-08 -0.22406E-05 2623 0.134E-02 1112 T= 6792. E= 0.68110355E+03 F= 0.62491669E+03 E0= 0.65310018E+03 EK= 0.56187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310392402240E+03 -0.96553E-01 -0.24551E-01 8928 0.245E+01 0.302E-01 RMM: 2 -0.310422637368E+03 -0.30235E-01 -0.16124E-01 5141 0.846E-01 0.150E+00 RMM: 3 -0.310405191000E+03 0.17446E-01 -0.16893E-02 5466 0.284E-01 0.293E-01 RMM: 4 -0.310404708132E+03 0.48287E-03 -0.20038E-03 5023 0.964E-02 0.176E-01 RMM: 5 -0.310404587126E+03 0.12101E-03 -0.30793E-04 4000 0.403E-02 0.140E-01 RMM: 6 -0.310404462154E+03 0.12497E-03 -0.79281E-05 3549 0.256E-02 0.396E-02 RMM: 7 -0.310404468686E+03 -0.65327E-05 -0.25088E-05 2584 0.146E-02 1113 T= 6929. E= 0.68213513E+03 F= 0.62481718E+03 E0= 0.65301521E+03 EK= 0.57318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310342144194E+03 0.62318E-01 -0.25074E-01 8880 0.244E+01 0.215E-01 RMM: 2 -0.310364437216E+03 -0.22293E-01 -0.15940E-01 5281 0.846E-01 0.106E+00 RMM: 3 -0.310355366849E+03 0.90704E-02 -0.14229E-02 5865 0.235E-01 0.221E-01 RMM: 4 -0.310354878738E+03 0.48811E-03 -0.94375E-04 4849 0.649E-02 0.865E-02 RMM: 5 -0.310354830124E+03 0.48614E-04 -0.11404E-04 4175 0.252E-02 0.749E-02 RMM: 6 -0.310354807013E+03 0.23111E-04 -0.24077E-05 2583 0.147E-02 0.585E-02 RMM: 7 -0.310354825124E+03 -0.18111E-04 -0.75274E-05 3642 0.215E-02 1114 T= 6868. E= 0.68170312E+03 F= 0.62488295E+03 E0= 0.65308930E+03 EK= 0.56820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310204545966E+03 0.15026E+00 -0.24152E-01 8976 0.241E+01 0.206E-01 RMM: 2 -0.310224562501E+03 -0.20017E-01 -0.16519E-01 5248 0.862E-01 0.854E-01 RMM: 3 -0.310218281185E+03 0.62813E-02 -0.15095E-02 5966 0.234E-01 0.134E-01 RMM: 4 -0.310218031413E+03 0.24977E-03 -0.85254E-04 4881 0.622E-02 0.133E-01 RMM: 5 -0.310217919164E+03 0.11225E-03 -0.12311E-04 3813 0.280E-02 0.735E-02 RMM: 6 -0.310217890874E+03 0.28290E-04 -0.29503E-05 2709 0.164E-02 0.437E-02 RMM: 7 -0.310217894192E+03 -0.33187E-05 -0.29167E-05 2629 0.161E-02 1115 T= 6645. E= 0.68001913E+03 F= 0.62504330E+03 E0= 0.65325098E+03 EK= 0.54976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310098063888E+03 0.11983E+00 -0.24379E-01 8724 0.235E+01 0.199E-01 RMM: 2 -0.310120227151E+03 -0.22163E-01 -0.18223E-01 5163 0.942E-01 0.875E-01 RMM: 3 -0.310113828466E+03 0.63987E-02 -0.17470E-02 5989 0.247E-01 0.189E-01 RMM: 4 -0.310113329853E+03 0.49861E-03 -0.84752E-04 4912 0.649E-02 0.106E-01 RMM: 5 -0.310113257673E+03 0.72180E-04 -0.11513E-04 3970 0.277E-02 0.774E-02 RMM: 6 -0.310113238773E+03 0.18900E-04 -0.29128E-05 2621 0.161E-02 1116 T= 6363. E= 0.67782184E+03 F= 0.62517916E+03 E0= 0.65338219E+03 EK= 0.52643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310149689910E+03 -0.36432E-01 -0.20833E-01 8700 0.230E+01 0.310E-01 RMM: 2 -0.310183056783E+03 -0.33367E-01 -0.15562E-01 5086 0.871E-01 0.169E+00 RMM: 3 -0.310162353887E+03 0.20703E-01 -0.18425E-02 5449 0.300E-01 0.290E-01 RMM: 4 -0.310161726514E+03 0.62737E-03 -0.19029E-03 5251 0.806E-02 0.106E-01 RMM: 5 -0.310161656759E+03 0.69755E-04 -0.15397E-04 3909 0.322E-02 0.918E-02 RMM: 6 -0.310161628096E+03 0.28663E-04 -0.39142E-05 2887 0.182E-02 0.813E-02 RMM: 7 -0.310161685964E+03 -0.57867E-04 -0.95378E-05 3851 0.261E-02 0.123E-01 RMM: 8 -0.310161591676E+03 0.94288E-04 -0.10624E-04 3895 0.241E-02 0.449E-02 RMM: 9 -0.310161584701E+03 0.69754E-05 -0.19899E-05 2591 0.127E-02 1117 T= 6136. E= 0.67593288E+03 F= 0.62517026E+03 E0= 0.65336212E+03 EK= 0.50763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310432659159E+03 -0.27107E+00 -0.18777E-01 8580 0.228E+01 0.312E-01 RMM: 2 -0.310462034455E+03 -0.29375E-01 -0.13226E-01 4975 0.807E-01 0.162E+00 RMM: 3 -0.310442906411E+03 0.19128E-01 -0.15828E-02 5420 0.283E-01 0.253E-01 RMM: 4 -0.310442554284E+03 0.35213E-03 -0.18518E-03 4915 0.909E-02 0.164E-01 RMM: 5 -0.310442497767E+03 0.56517E-04 -0.27445E-04 3927 0.389E-02 0.151E-01 RMM: 6 -0.310442348319E+03 0.14945E-03 -0.88542E-05 3634 0.270E-02 0.366E-02 RMM: 7 -0.310442358510E+03 -0.10191E-04 -0.27602E-05 2694 0.156E-02 1118 T= 6042. E= 0.67492045E+03 F= 0.62493728E+03 E0= 0.65311428E+03 EK= 0.49983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310958141856E+03 -0.51579E+00 -0.17934E-01 8400 0.228E+01 0.191E-01 RMM: 2 -0.310973658627E+03 -0.15517E-01 -0.10955E-01 5032 0.730E-01 0.905E-01 RMM: 3 -0.310967263874E+03 0.63948E-02 -0.11278E-02 5656 0.213E-01 0.191E-01 RMM: 4 -0.310966931156E+03 0.33272E-03 -0.78466E-04 4789 0.599E-02 0.886E-02 RMM: 5 -0.310966896113E+03 0.35043E-04 -0.11381E-04 3830 0.271E-02 0.788E-02 RMM: 6 -0.310966862966E+03 0.33147E-04 -0.30282E-05 2749 0.161E-02 0.529E-02 RMM: 7 -0.310966894067E+03 -0.31101E-04 -0.74685E-05 3616 0.227E-02 0.902E-02 RMM: 8 -0.310966840275E+03 0.53792E-04 -0.43268E-05 3080 0.191E-02 0.225E-02 RMM: 9 -0.310966840333E+03 -0.58191E-07 -0.10609E-05 2473 0.928E-03 1119 T= 6107. E= 0.67499119E+03 F= 0.62446867E+03 E0= 0.65262681E+03 EK= 0.50523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311671343732E+03 -0.70450E+00 -0.17948E-01 7980 0.233E+01 0.182E-01 RMM: 2 -0.311685164978E+03 -0.13821E-01 -0.11320E-01 4859 0.755E-01 0.741E-01 RMM: 3 -0.311680916797E+03 0.42482E-02 -0.12615E-02 5988 0.204E-01 0.125E-01 RMM: 4 -0.311680719388E+03 0.19741E-03 -0.67669E-04 4651 0.617E-02 0.152E-01 RMM: 5 -0.311680570946E+03 0.14844E-03 -0.12856E-04 3792 0.302E-02 0.639E-02 RMM: 6 -0.311680546820E+03 0.24126E-04 -0.28007E-05 2752 0.162E-02 0.325E-02 RMM: 7 -0.311680552237E+03 -0.54166E-05 -0.18838E-05 2518 0.131E-02 1120 T= 6306. E= 0.67598965E+03 F= 0.62381828E+03 E0= 0.65195562E+03 EK= 0.52171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312467109775E+03 -0.78656E+00 -0.18530E-01 8052 0.239E+01 0.186E-01 RMM: 2 -0.312480374679E+03 -0.13265E-01 -0.11830E-01 4875 0.786E-01 0.640E-01 RMM: 3 -0.312477266656E+03 0.31080E-02 -0.13731E-02 6104 0.210E-01 0.153E-01 RMM: 4 -0.312476992413E+03 0.27424E-03 -0.68760E-04 4663 0.631E-02 0.158E-01 RMM: 5 -0.312476822473E+03 0.16994E-03 -0.14040E-04 3840 0.316E-02 0.620E-02 RMM: 6 -0.312476808106E+03 0.14367E-04 -0.28603E-05 2757 0.161E-02 1121 T= 6567. E= 0.67742176E+03 F= 0.62309213E+03 E0= 0.65120700E+03 EK= 0.54330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313218873387E+03 -0.74205E+00 -0.20039E-01 8184 0.245E+01 0.280E-01 RMM: 2 -0.313244880006E+03 -0.26007E-01 -0.14481E-01 4799 0.880E-01 0.140E+00 RMM: 3 -0.313230767708E+03 0.14112E-01 -0.17572E-02 5541 0.279E-01 0.229E-01 RMM: 4 -0.313230432557E+03 0.33515E-03 -0.15341E-03 4875 0.809E-02 0.161E-01 RMM: 5 -0.313230284179E+03 0.14838E-03 -0.21993E-04 3917 0.356E-02 0.958E-02 RMM: 6 -0.313230230435E+03 0.53744E-04 -0.50323E-05 3176 0.205E-02 0.506E-02 RMM: 7 -0.313230245904E+03 -0.15469E-04 -0.39910E-05 2951 0.188E-02 1122 T= 6786. E= 0.67855159E+03 F= 0.62241525E+03 E0= 0.65050806E+03 EK= 0.56136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313825350838E+03 -0.59512E+00 -0.19983E-01 8424 0.249E+01 0.279E-01 RMM: 2 -0.313848646889E+03 -0.23296E-01 -0.13352E-01 4806 0.850E-01 0.132E+00 RMM: 3 -0.313836260555E+03 0.12386E-01 -0.16080E-02 5542 0.270E-01 0.271E-01 RMM: 4 -0.313835795022E+03 0.46553E-03 -0.16799E-03 4971 0.906E-02 0.161E-01 RMM: 5 -0.313835706064E+03 0.88958E-04 -0.26200E-04 3889 0.397E-02 0.124E-01 RMM: 6 -0.313835600154E+03 0.10591E-03 -0.63664E-05 3399 0.230E-02 0.313E-02 RMM: 7 -0.313835600824E+03 -0.67016E-06 -0.16766E-05 2520 0.118E-02 1123 T= 6865. E= 0.67868799E+03 F= 0.62189312E+03 E0= 0.64996476E+03 EK= 0.56795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314228862494E+03 -0.39326E+00 -0.20072E-01 8136 0.249E+01 0.238E-01 RMM: 2 -0.314249560884E+03 -0.20698E-01 -0.15035E-01 4807 0.888E-01 0.104E+00 RMM: 3 -0.314241471833E+03 0.80891E-02 -0.17276E-02 5760 0.256E-01 0.173E-01 RMM: 4 -0.314241185783E+03 0.28605E-03 -0.10982E-03 4884 0.717E-02 0.160E-01 RMM: 5 -0.314241041956E+03 0.14383E-03 -0.18293E-04 3892 0.338E-02 0.101E-01 RMM: 6 -0.314240978697E+03 0.63259E-04 -0.67884E-05 3413 0.233E-02 0.487E-02 RMM: 7 -0.314241016558E+03 -0.37861E-04 -0.59940E-05 3346 0.204E-02 0.984E-02 RMM: 8 -0.314240954400E+03 0.62157E-04 -0.60473E-05 3394 0.206E-02 0.284E-02 RMM: 9 -0.314240952921E+03 0.14794E-05 -0.14403E-05 2490 0.113E-02 1124 T= 6768. E= 0.67756835E+03 F= 0.62157839E+03 E0= 0.64963179E+03 EK= 0.55990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314444885502E+03 -0.20393E+00 -0.19375E-01 7980 0.246E+01 0.190E-01 RMM: 2 -0.314460411570E+03 -0.15526E-01 -0.13742E-01 4801 0.836E-01 0.672E-01 RMM: 3 -0.314456560897E+03 0.38507E-02 -0.15235E-02 6043 0.224E-01 0.128E-01 RMM: 4 -0.314456418535E+03 0.14236E-03 -0.80679E-04 4748 0.688E-02 0.193E-01 RMM: 5 -0.314456170516E+03 0.24802E-03 -0.17794E-04 3879 0.360E-02 0.683E-02 RMM: 6 -0.314456145979E+03 0.24538E-04 -0.37609E-05 3000 0.183E-02 0.397E-02 RMM: 7 -0.314456161500E+03 -0.15521E-04 -0.31079E-05 2657 0.168E-02 1125 T= 6536. E= 0.67553542E+03 F= 0.62146222E+03 E0= 0.64950046E+03 EK= 0.54073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314527869872E+03 -0.71724E-01 -0.18333E-01 8220 0.242E+01 0.172E-01 RMM: 2 -0.314540396184E+03 -0.12526E-01 -0.11627E-01 4838 0.775E-01 0.568E-01 RMM: 3 -0.314537777742E+03 0.26184E-02 -0.13189E-02 6140 0.208E-01 0.126E-01 RMM: 4 -0.314537550823E+03 0.22692E-03 -0.58053E-04 4645 0.578E-02 0.148E-01 RMM: 5 -0.314537404401E+03 0.14642E-03 -0.12552E-04 3871 0.322E-02 0.618E-02 RMM: 6 -0.314537410352E+03 -0.59516E-05 -0.58080E-05 3297 0.213E-02 1126 T= 6266. E= 0.67332802E+03 F= 0.62148922E+03 E0= 0.64951656E+03 EK= 0.51839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314548468738E+03 -0.11064E-01 -0.17330E-01 8256 0.237E+01 0.256E-01 RMM: 2 -0.314569258147E+03 -0.20789E-01 -0.10065E-01 4949 0.721E-01 0.133E+00 RMM: 3 -0.314556372539E+03 0.12886E-01 -0.12069E-02 5464 0.240E-01 0.195E-01 RMM: 4 -0.314556143565E+03 0.22897E-03 -0.11255E-03 4734 0.692E-02 0.133E-01 RMM: 5 -0.314556071756E+03 0.71809E-04 -0.17697E-04 3885 0.350E-02 0.106E-01 RMM: 6 -0.314556006713E+03 0.65043E-04 -0.71456E-05 3508 0.238E-02 0.544E-02 RMM: 7 -0.314556052983E+03 -0.46270E-04 -0.70028E-05 3544 0.234E-02 0.993E-02 RMM: 8 -0.314555991915E+03 0.61068E-04 -0.37041E-05 3043 0.191E-02 0.269E-02 RMM: 9 -0.314555990559E+03 0.13562E-05 -0.91528E-06 2470 0.854E-03 1127 T= 6057. E= 0.67169673E+03 F= 0.62158827E+03 E0= 0.64960911E+03 EK= 0.50108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314562790983E+03 -0.67991E-02 -0.16589E-01 8280 0.234E+01 0.233E-01 RMM: 2 -0.314579520039E+03 -0.16729E-01 -0.92525E-02 4915 0.696E-01 0.114E+00 RMM: 3 -0.314570176402E+03 0.93436E-02 -0.10721E-02 5499 0.223E-01 0.220E-01 RMM: 4 -0.314569865556E+03 0.31085E-03 -0.10712E-03 4710 0.716E-02 0.128E-01 RMM: 5 -0.314569813415E+03 0.52141E-04 -0.17718E-04 3881 0.344E-02 0.110E-01 RMM: 6 -0.314569733336E+03 0.80078E-04 -0.57226E-05 3310 0.225E-02 0.360E-02 RMM: 7 -0.314569759518E+03 -0.26181E-04 -0.37622E-05 2963 0.180E-02 0.744E-02 RMM: 8 -0.314569724391E+03 0.35127E-04 -0.26033E-05 2629 0.165E-02 0.228E-02 RMM: 9 -0.314569722062E+03 0.23295E-05 -0.69033E-06 2452 0.748E-03 1128 T= 5977. E= 0.67114405E+03 F= 0.62170092E+03 E0= 0.64971954E+03 EK= 0.49443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314599994774E+03 -0.30270E-01 -0.16225E-01 8052 0.234E+01 0.205E-01 RMM: 2 -0.314612370617E+03 -0.12376E-01 -0.90287E-02 4900 0.690E-01 0.823E-01 RMM: 3 -0.314607419626E+03 0.49510E-02 -0.10436E-02 5720 0.199E-01 0.158E-01 RMM: 4 -0.314607288008E+03 0.13162E-03 -0.76446E-04 4680 0.637E-02 0.164E-01 RMM: 5 -0.314607136077E+03 0.15193E-03 -0.16371E-04 3882 0.334E-02 0.938E-02 RMM: 6 -0.314607088453E+03 0.47624E-04 -0.55903E-05 3299 0.217E-02 0.510E-02 RMM: 7 -0.314607111993E+03 -0.23541E-04 -0.53314E-05 3302 0.207E-02 0.786E-02 RMM: 8 -0.314607071419E+03 0.40574E-04 -0.29693E-05 2884 0.177E-02 0.197E-02 RMM: 9 -0.314607071628E+03 -0.20854E-06 -0.74332E-06 2457 0.764E-03 1129 T= 6050. E= 0.67184713E+03 F= 0.62179727E+03 E0= 0.64981860E+03 EK= 0.50050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314655174299E+03 -0.48103E-01 -0.16441E-01 8004 0.236E+01 0.186E-01 RMM: 2 -0.314665185332E+03 -0.10011E-01 -0.90914E-02 4860 0.694E-01 0.568E-01 RMM: 3 -0.314662824187E+03 0.23611E-02 -0.10371E-02 5950 0.184E-01 0.139E-01 RMM: 4 -0.314662801439E+03 0.22748E-04 -0.65704E-04 4654 0.635E-02 0.209E-01 RMM: 5 -0.314662508998E+03 0.29244E-03 -0.18030E-04 3884 0.360E-02 0.654E-02 RMM: 6 -0.314662490185E+03 0.18814E-04 -0.43169E-05 3122 0.196E-02 1130 T= 6258. E= 0.67365130E+03 F= 0.62188114E+03 E0= 0.64991001E+03 EK= 0.51770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314692122621E+03 -0.29614E-01 -0.16936E-01 7908 0.240E+01 0.277E-01 RMM: 2 -0.314711517192E+03 -0.19395E-01 -0.97166E-02 4895 0.736E-01 0.129E+00 RMM: 3 -0.314699773108E+03 0.11744E-01 -0.12469E-02 5459 0.243E-01 0.193E-01 RMM: 4 -0.314699756549E+03 0.16559E-04 -0.13418E-03 4745 0.794E-02 0.214E-01 RMM: 5 -0.314699500581E+03 0.25597E-03 -0.25140E-04 3899 0.378E-02 0.115E-01 RMM: 6 -0.314699418616E+03 0.81965E-04 -0.75573E-05 3493 0.250E-02 0.513E-02 RMM: 7 -0.314699450303E+03 -0.31687E-04 -0.57115E-05 3312 0.210E-02 0.880E-02 RMM: 8 -0.314699406064E+03 0.44239E-04 -0.36283E-05 2970 0.189E-02 0.337E-02 RMM: 9 -0.314699401713E+03 0.43506E-05 -0.10905E-05 2481 0.972E-03 1131 T= 6537. E= 0.67606563E+03 F= 0.62198767E+03 E0= 0.65002952E+03 EK= 0.54078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314658491357E+03 0.40915E-01 -0.17346E-01 7884 0.245E+01 0.274E-01 RMM: 2 -0.314678771279E+03 -0.20280E-01 -0.11073E-01 4786 0.794E-01 0.126E+00 RMM: 3 -0.314667462706E+03 0.11309E-01 -0.13856E-02 5474 0.253E-01 0.233E-01 RMM: 4 -0.314667266189E+03 0.19652E-03 -0.15663E-03 4960 0.886E-02 0.201E-01 RMM: 5 -0.314667110231E+03 0.15596E-03 -0.28013E-04 3888 0.416E-02 0.142E-01 RMM: 6 -0.314666965679E+03 0.14455E-03 -0.80536E-05 3552 0.256E-02 0.302E-02 RMM: 7 -0.314666972241E+03 -0.65628E-05 -0.23669E-05 2574 0.143E-02 1132 T= 6788. E= 0.67832014E+03 F= 0.62216715E+03 E0= 0.65022691E+03 EK= 0.56153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314510176430E+03 0.15679E+00 -0.17925E-01 7884 0.247E+01 0.233E-01 RMM: 2 -0.314524278789E+03 -0.14102E-01 -0.10976E-01 4827 0.789E-01 0.823E-01 RMM: 3 -0.314519363570E+03 0.49152E-02 -0.13012E-02 5747 0.219E-01 0.175E-01 RMM: 4 -0.314519364045E+03 -0.47499E-06 -0.10524E-03 4819 0.775E-02 0.240E-01 RMM: 5 -0.314519010816E+03 0.35323E-03 -0.24641E-04 3893 0.401E-02 0.101E-01 RMM: 6 -0.314518947796E+03 0.63020E-04 -0.57487E-05 3316 0.218E-02 0.441E-02 RMM: 7 -0.314518964501E+03 -0.16705E-04 -0.44933E-05 3088 0.187E-02 1133 T= 6908. E= 0.67961353E+03 F= 0.62246633E+03 E0= 0.65054689E+03 EK= 0.57147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314226221371E+03 0.29273E+00 -0.18389E-01 8004 0.246E+01 0.222E-01 RMM: 2 -0.314239029368E+03 -0.12808E-01 -0.10754E-01 4765 0.781E-01 0.726E-01 RMM: 3 -0.314235262067E+03 0.37673E-02 -0.13064E-02 5963 0.211E-01 0.152E-01 RMM: 4 -0.314235286806E+03 -0.24740E-04 -0.90714E-04 4747 0.740E-02 0.242E-01 RMM: 5 -0.314234914013E+03 0.37279E-03 -0.23375E-04 3890 0.402E-02 0.886E-02 RMM: 6 -0.314234871261E+03 0.42752E-04 -0.59683E-05 3318 0.225E-02 0.469E-02 RMM: 7 -0.314234894469E+03 -0.23207E-04 -0.37290E-05 2935 0.183E-02 0.745E-02 RMM: 8 -0.314234861337E+03 0.33132E-04 -0.26298E-05 2677 0.169E-02 0.238E-02 RMM: 9 -0.314234860968E+03 0.36834E-06 -0.81099E-06 2459 0.840E-03 1134 T= 6843. E= 0.67952026E+03 F= 0.62290716E+03 E0= 0.65101105E+03 EK= 0.56613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313822102731E+03 0.41276E+00 -0.19245E-01 7668 0.242E+01 0.203E-01 RMM: 2 -0.313836632818E+03 -0.14530E-01 -0.13081E-01 4694 0.865E-01 0.646E-01 RMM: 3 -0.313833488403E+03 0.31444E-02 -0.15553E-02 6049 0.219E-01 0.138E-01 RMM: 4 -0.313833362037E+03 0.12637E-03 -0.90728E-04 4827 0.756E-02 0.213E-01 RMM: 5 -0.313833079591E+03 0.28245E-03 -0.23159E-04 3900 0.413E-02 0.930E-02 RMM: 6 -0.313833037504E+03 0.42087E-04 -0.79797E-05 3530 0.256E-02 0.552E-02 RMM: 7 -0.313833064106E+03 -0.26602E-04 -0.38488E-05 2995 0.187E-02 0.845E-02 RMM: 8 -0.313833017334E+03 0.46772E-04 -0.24870E-05 2657 0.167E-02 0.181E-02 RMM: 9 -0.313833018496E+03 -0.11625E-05 -0.67207E-06 2456 0.743E-03 1135 T= 6622. E= 0.67825589E+03 F= 0.62347307E+03 E0= 0.65159924E+03 EK= 0.54783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313353088398E+03 0.47993E+00 -0.18038E-01 7632 0.236E+01 0.195E-01 RMM: 2 -0.313365317923E+03 -0.12230E-01 -0.10940E-01 4729 0.787E-01 0.620E-01 RMM: 3 -0.313362448709E+03 0.28692E-02 -0.12853E-02 5957 0.204E-01 0.127E-01 RMM: 4 -0.313362402536E+03 0.46173E-04 -0.79867E-04 4755 0.720E-02 0.211E-01 RMM: 5 -0.313362119105E+03 0.28343E-03 -0.22714E-04 3908 0.419E-02 0.837E-02 RMM: 6 -0.313362114055E+03 0.50502E-05 -0.88471E-05 3623 0.261E-02 1136 T= 6337. E= 0.67654103E+03 F= 0.62411680E+03 E0= 0.65226108E+03 EK= 0.52424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312875145992E+03 0.48697E+00 -0.17561E-01 7632 0.231E+01 0.290E-01 RMM: 2 -0.312895660189E+03 -0.20514E-01 -0.10977E-01 4801 0.795E-01 0.129E+00 RMM: 3 -0.312883866738E+03 0.11793E-01 -0.14258E-02 5449 0.260E-01 0.219E-01 RMM: 4 -0.312883625481E+03 0.24126E-03 -0.13337E-03 4806 0.769E-02 0.169E-01 RMM: 5 -0.312883586648E+03 0.38833E-04 -0.36258E-04 4244 0.507E-02 0.170E-01 RMM: 6 -0.312883415865E+03 0.17078E-03 -0.20263E-04 3898 0.393E-02 0.722E-02 RMM: 7 -0.312883481652E+03 -0.65788E-04 -0.94466E-05 3685 0.270E-02 0.120E-01 RMM: 8 -0.312883392423E+03 0.89229E-04 -0.48281E-05 3270 0.223E-02 0.364E-02 RMM: 9 -0.312883389437E+03 0.29867E-05 -0.11861E-05 2499 0.104E-02 1137 T= 6095. E= 0.67519955E+03 F= 0.62477751E+03 E0= 0.65293542E+03 EK= 0.50422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312444439030E+03 0.43895E+00 -0.16593E-01 7644 0.227E+01 0.266E-01 RMM: 2 -0.312463745143E+03 -0.19306E-01 -0.98267E-02 4682 0.751E-01 0.127E+00 RMM: 3 -0.312452378296E+03 0.11367E-01 -0.12651E-02 5449 0.249E-01 0.242E-01 RMM: 4 -0.312452046242E+03 0.33205E-03 -0.13794E-03 4804 0.810E-02 0.159E-01 RMM: 5 -0.312452041986E+03 0.42557E-05 -0.31662E-04 4104 0.484E-02 0.163E-01 RMM: 6 -0.312451856005E+03 0.18598E-03 -0.12519E-04 3864 0.312E-02 0.408E-02 RMM: 7 -0.312451897651E+03 -0.41646E-04 -0.51411E-05 3249 0.201E-02 0.892E-02 RMM: 8 -0.312451848959E+03 0.48692E-04 -0.29287E-05 2843 0.184E-02 0.249E-02 RMM: 9 -0.312451846257E+03 0.27023E-05 -0.62488E-06 2458 0.749E-03 1138 T= 5976. E= 0.67483854E+03 F= 0.62539929E+03 E0= 0.65356282E+03 EK= 0.49439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312098267962E+03 0.35358E+00 -0.16322E-01 7536 0.226E+01 0.236E-01 RMM: 2 -0.312111834686E+03 -0.13567E-01 -0.97042E-02 4690 0.754E-01 0.893E-01 RMM: 3 -0.312106265841E+03 0.55688E-02 -0.11990E-02 5705 0.216E-01 0.180E-01 RMM: 4 -0.312106182770E+03 0.83072E-04 -0.10375E-03 4755 0.770E-02 0.210E-01 RMM: 5 -0.312105946627E+03 0.23614E-03 -0.32296E-04 4125 0.481E-02 0.125E-01 RMM: 6 -0.312105868027E+03 0.78600E-04 -0.12045E-04 3861 0.304E-02 0.693E-02 RMM: 7 -0.312105896370E+03 -0.28343E-04 -0.57092E-05 3360 0.223E-02 0.944E-02 RMM: 8 -0.312105839240E+03 0.57130E-04 -0.27608E-05 2898 0.175E-02 0.250E-02 RMM: 9 -0.312105839760E+03 -0.51993E-06 -0.79907E-06 2467 0.818E-03 1139 T= 6019. E= 0.67573204E+03 F= 0.62594175E+03 E0= 0.65410300E+03 EK= 0.49790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311855484746E+03 0.25035E+00 -0.16699E-01 7860 0.228E+01 0.238E-01 RMM: 2 -0.311869038978E+03 -0.13554E-01 -0.10517E-01 4682 0.784E-01 0.838E-01 RMM: 3 -0.311864164278E+03 0.48747E-02 -0.12979E-02 5798 0.217E-01 0.140E-01 RMM: 4 -0.311864285248E+03 -0.12097E-03 -0.10071E-03 4754 0.757E-02 0.256E-01 RMM: 5 -0.311863888120E+03 0.39713E-03 -0.27773E-04 3915 0.440E-02 0.107E-01 RMM: 6 -0.311863826722E+03 0.61398E-04 -0.98240E-05 3643 0.278E-02 0.544E-02 RMM: 7 -0.311863856937E+03 -0.30215E-04 -0.38310E-05 3013 0.189E-02 0.836E-02 RMM: 8 -0.311863811465E+03 0.45472E-04 -0.24562E-05 2701 0.169E-02 0.179E-02 RMM: 9 -0.311863814133E+03 -0.26682E-05 -0.67647E-06 2458 0.758E-03 1140 T= 6216. E= 0.67780495E+03 F= 0.62638394E+03 E0= 0.65453401E+03 EK= 0.51421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311717528668E+03 0.14628E+00 -0.17642E-01 7632 0.232E+01 0.231E-01 RMM: 2 -0.311729471960E+03 -0.11943E-01 -0.11107E-01 4707 0.789E-01 0.612E-01 RMM: 3 -0.311726799392E+03 0.26726E-02 -0.13256E-02 5972 0.208E-01 0.170E-01 RMM: 4 -0.311726838560E+03 -0.39168E-04 -0.10385E-03 4823 0.811E-02 0.268E-01 RMM: 5 -0.311726370250E+03 0.46831E-03 -0.33194E-04 4050 0.485E-02 0.897E-02 RMM: 6 -0.311726329901E+03 0.40350E-04 -0.66470E-05 3413 0.231E-02 0.550E-02 RMM: 7 -0.311726339708E+03 -0.98073E-05 -0.38489E-05 2989 0.187E-02 1141 T= 6514. E= 0.68061445E+03 F= 0.62672324E+03 E0= 0.65485353E+03 EK= 0.53891E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311678091516E+03 0.48238E-01 -0.17958E-01 7896 0.237E+01 0.257E-01 RMM: 2 -0.311689918532E+03 -0.11827E-01 -0.10856E-01 4756 0.788E-01 0.667E-01 RMM: 3 -0.311686985086E+03 0.29334E-02 -0.13362E-02 5980 0.212E-01 0.178E-01 RMM: 4 -0.311687151676E+03 -0.16659E-03 -0.11061E-03 4805 0.827E-02 0.305E-01 RMM: 5 -0.311686546972E+03 0.60470E-03 -0.35237E-04 4035 0.486E-02 0.992E-02 RMM: 6 -0.311686503550E+03 0.43423E-04 -0.83318E-05 3552 0.254E-02 0.644E-02 RMM: 7 -0.311686524012E+03 -0.20462E-04 -0.49232E-05 3195 0.203E-02 0.851E-02 RMM: 8 -0.311686479154E+03 0.44858E-04 -0.30021E-05 2914 0.180E-02 0.225E-02 RMM: 9 -0.311686484239E+03 -0.50854E-05 -0.10220E-05 2477 0.921E-03 1142 T= 6817. E= 0.68335842E+03 F= 0.62696581E+03 E0= 0.65506922E+03 EK= 0.56393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311725951669E+03 -0.39473E-01 -0.19844E-01 7848 0.242E+01 0.250E-01 RMM: 2 -0.311740148913E+03 -0.14197E-01 -0.12979E-01 4724 0.862E-01 0.702E-01 RMM: 3 -0.311736656829E+03 0.34921E-02 -0.15431E-02 5952 0.229E-01 0.163E-01 RMM: 4 -0.311736805422E+03 -0.14859E-03 -0.11045E-03 4878 0.811E-02 0.294E-01 RMM: 5 -0.311736231354E+03 0.57407E-03 -0.31559E-04 3964 0.458E-02 0.990E-02 RMM: 6 -0.311736172119E+03 0.59236E-04 -0.82224E-05 3528 0.255E-02 0.439E-02 RMM: 7 -0.311736196316E+03 -0.24198E-04 -0.32607E-05 2878 0.170E-02 0.760E-02 RMM: 8 -0.311736158968E+03 0.37349E-04 -0.23111E-05 2589 0.162E-02 0.171E-02 RMM: 9 -0.311736161628E+03 -0.26600E-05 -0.68475E-06 2462 0.748E-03 1143 T= 7006. E= 0.68507705E+03 F= 0.62712064E+03 E0= 0.65519142E+03 EK= 0.57956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311868746993E+03 -0.13259E+00 -0.19162E-01 8184 0.244E+01 0.250E-01 RMM: 2 -0.311880112227E+03 -0.11365E-01 -0.11322E-01 4868 0.797E-01 0.556E-01 RMM: 3 -0.311877940208E+03 0.21720E-02 -0.12981E-02 5998 0.208E-01 0.177E-01 RMM: 4 -0.311878083826E+03 -0.14362E-03 -0.10228E-03 4798 0.796E-02 0.301E-01 RMM: 5 -0.311877481332E+03 0.60249E-03 -0.36192E-04 4136 0.498E-02 0.907E-02 RMM: 6 -0.311877452668E+03 0.28663E-04 -0.80058E-05 3527 0.246E-02 0.686E-02 RMM: 7 -0.311877461041E+03 -0.83731E-05 -0.44680E-05 3117 0.199E-02 1144 T= 7000. E= 0.68509422E+03 F= 0.62718796E+03 E0= 0.65522309E+03 EK= 0.57906E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312120277675E+03 -0.24283E+00 -0.18000E-01 8292 0.242E+01 0.260E-01 RMM: 2 -0.312131257790E+03 -0.10980E-01 -0.10412E-01 4929 0.768E-01 0.638E-01 RMM: 3 -0.312128450091E+03 0.28077E-02 -0.11954E-02 5932 0.208E-01 0.174E-01 RMM: 4 -0.312128708515E+03 -0.25842E-03 -0.98456E-04 4730 0.760E-02 0.313E-01 RMM: 5 -0.312128048618E+03 0.65990E-03 -0.35488E-04 4125 0.494E-02 0.897E-02 RMM: 6 -0.312128051585E+03 -0.29670E-05 -0.11638E-04 3776 0.290E-02 1145 T= 6803. E= 0.68342937E+03 F= 0.62715314E+03 E0= 0.65515283E+03 EK= 0.56276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312506914800E+03 -0.37887E+00 -0.18026E-01 7920 0.239E+01 0.335E-01 RMM: 2 -0.312530523423E+03 -0.23609E-01 -0.12223E-01 4855 0.835E-01 0.142E+00 RMM: 3 -0.312516416026E+03 0.14107E-01 -0.16140E-02 5467 0.279E-01 0.256E-01 RMM: 4 -0.312516234200E+03 0.18183E-03 -0.17672E-03 4979 0.908E-02 0.237E-01 RMM: 5 -0.312516002846E+03 0.23135E-03 -0.45800E-04 4415 0.547E-02 0.169E-01 RMM: 6 -0.312515841970E+03 0.16088E-03 -0.17256E-04 3880 0.349E-02 0.784E-02 RMM: 7 -0.312515888828E+03 -0.46858E-04 -0.10267E-04 3750 0.279E-02 0.113E-01 RMM: 8 -0.312515810536E+03 0.78293E-04 -0.50901E-05 3296 0.222E-02 0.344E-02 RMM: 9 -0.312515809535E+03 0.10010E-05 -0.10969E-05 2495 0.963E-03 1146 T= 6502. E= 0.68077847E+03 F= 0.62699109E+03 E0= 0.65495981E+03 EK= 0.53787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313060775963E+03 -0.54497E+00 -0.16833E-01 8124 0.234E+01 0.353E-01 RMM: 2 -0.313086479555E+03 -0.25704E-01 -0.95236E-02 4982 0.746E-01 0.166E+00 RMM: 3 -0.313067355866E+03 0.19124E-01 -0.14035E-02 5403 0.280E-01 0.299E-01 RMM: 4 -0.313066912077E+03 0.44379E-03 -0.18477E-03 4970 0.945E-02 0.201E-01 RMM: 5 -0.313066940982E+03 -0.28905E-04 -0.47121E-04 4506 0.576E-02 0.223E-01 RMM: 6 -0.313066594516E+03 0.34647E-03 -0.18017E-04 3880 0.357E-02 0.466E-02 RMM: 7 -0.313066653288E+03 -0.58772E-04 -0.85835E-05 3605 0.250E-02 0.104E-01 RMM: 8 -0.313066581131E+03 0.72157E-04 -0.37349E-05 3104 0.199E-02 0.244E-02 RMM: 9 -0.313066579346E+03 0.17853E-05 -0.70188E-06 2474 0.754E-03 1147 T= 6214. E= 0.67808701E+03 F= 0.62667754E+03 E0= 0.65462272E+03 EK= 0.51409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313784972090E+03 -0.71839E+00 -0.16340E-01 7932 0.231E+01 0.299E-01 RMM: 2 -0.313799069109E+03 -0.14097E-01 -0.91082E-02 4988 0.718E-01 0.104E+00 RMM: 3 -0.313791734198E+03 0.73349E-02 -0.10946E-02 5594 0.220E-01 0.229E-01 RMM: 4 -0.313791715994E+03 0.18204E-04 -0.13101E-03 4725 0.841E-02 0.265E-01 RMM: 5 -0.313791303674E+03 0.41232E-03 -0.50510E-04 4567 0.617E-02 0.134E-01 RMM: 6 -0.313791232946E+03 0.70728E-04 -0.14923E-04 3883 0.319E-02 0.907E-02 RMM: 7 -0.313791231401E+03 0.15451E-05 -0.72466E-05 3561 0.256E-02 1148 T= 6034. E= 0.67612141E+03 F= 0.62620143E+03 E0= 0.65413286E+03 EK= 0.49920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314669657933E+03 -0.87842E+00 -0.16042E-01 8292 0.231E+01 0.291E-01 RMM: 2 -0.314679023824E+03 -0.93659E-02 -0.89587E-02 4992 0.700E-01 0.624E-01 RMM: 3 -0.314676431813E+03 0.25920E-02 -0.10077E-02 5844 0.188E-01 0.223E-01 RMM: 4 -0.314676801548E+03 -0.36973E-03 -0.12876E-03 4777 0.900E-02 0.367E-01 RMM: 5 -0.314675931479E+03 0.87007E-03 -0.59237E-04 4575 0.655E-02 0.106E-01 RMM: 6 -0.314675929597E+03 0.18818E-05 -0.13727E-04 3865 0.300E-02 1149 T= 6009. E= 0.67528818E+03 F= 0.62557467E+03 E0= 0.65350326E+03 EK= 0.49714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315672194958E+03 -0.99626E+00 -0.16976E-01 8220 0.233E+01 0.372E-01 RMM: 2 -0.315691779672E+03 -0.19585E-01 -0.94431E-02 4963 0.750E-01 0.140E+00 RMM: 3 -0.315678320206E+03 0.13459E-01 -0.13825E-02 5399 0.278E-01 0.255E-01 RMM: 4 -0.315678343679E+03 -0.23473E-04 -0.17391E-03 4861 0.911E-02 0.282E-01 RMM: 5 -0.315677998839E+03 0.34484E-03 -0.50301E-04 4541 0.576E-02 0.192E-01 RMM: 6 -0.315677767054E+03 0.23179E-03 -0.21629E-04 3888 0.390E-02 0.665E-02 RMM: 7 -0.315677825361E+03 -0.58307E-04 -0.80301E-05 3578 0.250E-02 0.112E-01 RMM: 8 -0.315677749397E+03 0.75964E-04 -0.38307E-05 3094 0.198E-02 0.391E-02 RMM: 9 -0.315677744729E+03 0.46682E-05 -0.11879E-05 2496 0.101E-02 1150 T= 6139. E= 0.67562650E+03 F= 0.62483723E+03 E0= 0.65277622E+03 EK= 0.50789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316718334860E+03 -0.10406E+01 -0.17208E-01 8124 0.238E+01 0.366E-01 RMM: 2 -0.316737737501E+03 -0.19403E-01 -0.88910E-02 4954 0.723E-01 0.139E+00 RMM: 3 -0.316724259278E+03 0.13478E-01 -0.12662E-02 5396 0.262E-01 0.295E-01 RMM: 4 -0.316724340987E+03 -0.81709E-04 -0.21754E-03 5067 0.107E-01 0.329E-01 RMM: 5 -0.316723797749E+03 0.54324E-03 -0.54101E-04 4525 0.606E-02 0.192E-01 RMM: 6 -0.316723550186E+03 0.24756E-03 -0.14933E-04 3873 0.323E-02 0.455E-02 RMM: 7 -0.316723574370E+03 -0.24184E-04 -0.53606E-05 3303 0.202E-02 0.798E-02 RMM: 8 -0.316723531203E+03 0.43167E-04 -0.26405E-05 2771 0.171E-02 0.251E-02 RMM: 9 -0.316723529544E+03 0.16589E-05 -0.77972E-06 2464 0.811E-03 1151 T= 6379. E= 0.67683034E+03 F= 0.62405950E+03 E0= 0.65202191E+03 EK= 0.52771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317710011512E+03 -0.98648E+00 -0.18161E-01 7956 0.244E+01 0.359E-01 RMM: 2 -0.317725476981E+03 -0.15465E-01 -0.90555E-02 4993 0.732E-01 0.118E+00 RMM: 3 -0.317715989753E+03 0.94872E-02 -0.11213E-02 5455 0.235E-01 0.246E-01 RMM: 4 -0.317716540802E+03 -0.55105E-03 -0.19569E-03 5000 0.104E-01 0.396E-01 RMM: 5 -0.317715581928E+03 0.95887E-03 -0.61906E-04 4574 0.649E-02 0.152E-01 RMM: 6 -0.317715443203E+03 0.13872E-03 -0.13662E-04 3869 0.301E-02 0.647E-02 RMM: 7 -0.317715481067E+03 -0.37863E-04 -0.73170E-05 3551 0.235E-02 0.101E-01 RMM: 8 -0.317715415314E+03 0.65752E-04 -0.37027E-05 3076 0.193E-02 0.303E-02 RMM: 9 -0.317715416552E+03 -0.12377E-05 -0.12250E-05 2494 0.999E-03 1152 T= 6642. E= 0.67828335E+03 F= 0.62333773E+03 E0= 0.65133618E+03 EK= 0.54946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318541198394E+03 -0.82578E+00 -0.19069E-01 8124 0.249E+01 0.329E-01 RMM: 2 -0.318553558983E+03 -0.12361E-01 -0.97941E-02 4925 0.756E-01 0.887E-01 RMM: 3 -0.318548098945E+03 0.54600E-02 -0.11430E-02 5592 0.221E-01 0.221E-01 RMM: 4 -0.318548846668E+03 -0.74772E-03 -0.16153E-03 4960 0.974E-02 0.423E-01 RMM: 5 -0.318547691555E+03 0.11551E-02 -0.57964E-04 4543 0.628E-02 0.120E-01 RMM: 6 -0.318547612378E+03 0.79177E-04 -0.12264E-04 3828 0.285E-02 0.634E-02 RMM: 7 -0.318547644572E+03 -0.32194E-04 -0.54004E-05 3328 0.206E-02 0.949E-02 RMM: 8 -0.318547586056E+03 0.58516E-04 -0.30304E-05 2918 0.178E-02 0.204E-02 RMM: 9 -0.318547595265E+03 -0.92093E-05 -0.12267E-05 2489 0.989E-03 1153 T= 6822. E= 0.67921274E+03 F= 0.62277792E+03 E0= 0.65082321E+03 EK= 0.56435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319123752061E+03 -0.57617E+00 -0.19225E-01 7932 0.251E+01 0.312E-01 RMM: 2 -0.319134919922E+03 -0.11168E-01 -0.10498E-01 4824 0.775E-01 0.704E-01 RMM: 3 -0.319131601741E+03 0.33182E-02 -0.12403E-02 5811 0.217E-01 0.226E-01 RMM: 4 -0.319132078118E+03 -0.47638E-03 -0.14728E-03 4993 0.948E-02 0.396E-01 RMM: 5 -0.319131058191E+03 0.10199E-02 -0.61266E-04 4578 0.659E-02 0.996E-02 RMM: 6 -0.319131025186E+03 0.33005E-04 -0.10404E-04 3730 0.261E-02 0.793E-02 RMM: 7 -0.319131013179E+03 0.12007E-04 -0.47088E-05 3213 0.204E-02 1154 T= 6837. E= 0.67903236E+03 F= 0.62247103E+03 E0= 0.65056979E+03 EK= 0.56561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319411489194E+03 -0.28046E+00 -0.18901E-01 7704 0.250E+01 0.309E-01 RMM: 2 -0.319421377908E+03 -0.98887E-02 -0.10387E-01 4748 0.768E-01 0.549E-01 RMM: 3 -0.319419514004E+03 0.18639E-02 -0.12598E-02 5870 0.216E-01 0.271E-01 RMM: 4 -0.319419899917E+03 -0.38591E-03 -0.13635E-03 5016 0.929E-02 0.405E-01 RMM: 5 -0.319418771444E+03 0.11285E-02 -0.63669E-04 4576 0.665E-02 0.815E-02 RMM: 6 -0.319418839478E+03 -0.68034E-04 -0.17427E-04 3880 0.345E-02 0.131E-01 RMM: 7 -0.319418753129E+03 0.86349E-04 -0.68136E-05 3500 0.246E-02 0.721E-02 RMM: 8 -0.319418722368E+03 0.30761E-04 -0.22054E-05 2632 0.142E-02 0.265E-02 RMM: 9 -0.319418736603E+03 -0.14235E-04 -0.15188E-05 2504 0.111E-02 1155 T= 6676. E= 0.67769677E+03 F= 0.62246673E+03 E0= 0.65062132E+03 EK= 0.55230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319410757110E+03 0.79653E-02 -0.19398E-01 7632 0.246E+01 0.279E-01 RMM: 2 -0.319424089383E+03 -0.13332E-01 -0.12424E-01 4676 0.847E-01 0.686E-01 RMM: 3 -0.319420627278E+03 0.34621E-02 -0.14893E-02 5929 0.230E-01 0.183E-01 RMM: 4 -0.319420963885E+03 -0.33661E-03 -0.12941E-03 5081 0.915E-02 0.358E-01 RMM: 5 -0.319420108547E+03 0.85534E-03 -0.52870E-04 4578 0.625E-02 0.998E-02 RMM: 6 -0.319420122752E+03 -0.14206E-04 -0.16745E-04 3883 0.334E-02 1156 T= 6405. E= 0.67574562E+03 F= 0.62275812E+03 E0= 0.65096594E+03 EK= 0.52988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319181714253E+03 0.23839E+00 -0.18728E-01 7692 0.241E+01 0.378E-01 RMM: 2 -0.319204024836E+03 -0.22311E-01 -0.10619E-01 4766 0.791E-01 0.147E+00 RMM: 3 -0.319189296171E+03 0.14729E-01 -0.15594E-02 5429 0.283E-01 0.281E-01 RMM: 4 -0.319189392765E+03 -0.96594E-04 -0.20803E-03 5219 0.104E-01 0.338E-01 RMM: 5 -0.319188900833E+03 0.49193E-03 -0.87813E-04 4608 0.800E-02 0.230E-01 RMM: 6 -0.319188616276E+03 0.28456E-03 -0.34250E-04 3915 0.487E-02 0.113E-01 RMM: 7 -0.319188691228E+03 -0.74952E-04 -0.17373E-04 3886 0.372E-02 0.153E-01 RMM: 8 -0.319188531159E+03 0.16007E-03 -0.93819E-05 3699 0.291E-02 0.340E-02 RMM: 9 -0.319188546304E+03 -0.15145E-04 -0.21994E-05 2678 0.136E-02 1157 T= 6129. E= 0.67399497E+03 F= 0.62329274E+03 E0= 0.65155052E+03 EK= 0.50702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318794669054E+03 0.39386E+00 -0.17864E-01 7728 0.236E+01 0.375E-01 RMM: 2 -0.318821767366E+03 -0.27098E-01 -0.10876E-01 4740 0.810E-01 0.169E+00 RMM: 3 -0.318802263494E+03 0.19504E-01 -0.16158E-02 5399 0.302E-01 0.333E-01 RMM: 4 -0.318801713539E+03 0.54996E-03 -0.21456E-03 5234 0.104E-01 0.215E-01 RMM: 5 -0.318801711358E+03 0.21812E-05 -0.58301E-04 4586 0.643E-02 0.233E-01 RMM: 6 -0.318801352546E+03 0.35881E-03 -0.22253E-04 3884 0.399E-02 0.629E-02 RMM: 7 -0.318801429520E+03 -0.76974E-04 -0.11013E-04 3805 0.286E-02 0.123E-01 RMM: 8 -0.318801329691E+03 0.99829E-04 -0.48762E-05 3293 0.215E-02 0.266E-02 RMM: 9 -0.318801328613E+03 0.10778E-05 -0.88131E-06 2484 0.852E-03 1158 T= 5943. E= 0.67316017E+03 F= 0.62399206E+03 E0= 0.65229243E+03 EK= 0.49168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318328490604E+03 0.47284E+00 -0.17080E-01 7428 0.233E+01 0.323E-01 RMM: 2 -0.318341918104E+03 -0.13427E-01 -0.88709E-02 4865 0.716E-01 0.102E+00 RMM: 3 -0.318334826135E+03 0.70920E-02 -0.10980E-02 5539 0.221E-01 0.237E-01 RMM: 4 -0.318335090210E+03 -0.26407E-03 -0.16922E-03 5033 0.102E-01 0.347E-01 RMM: 5 -0.318334363935E+03 0.72627E-03 -0.81175E-04 4606 0.787E-02 0.157E-01 RMM: 6 -0.318334302661E+03 0.61274E-04 -0.23874E-04 3898 0.403E-02 0.127E-01 RMM: 7 -0.318334292218E+03 0.10443E-04 -0.12900E-04 3874 0.336E-02 1159 T= 5909. E= 0.67366415E+03 F= 0.62477692E+03 E0= 0.65311229E+03 EK= 0.48887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317845290808E+03 0.48901E+00 -0.16829E-01 7500 0.234E+01 0.334E-01 RMM: 2 -0.317856271605E+03 -0.10981E-01 -0.85888E-02 4909 0.712E-01 0.871E-01 RMM: 3 -0.317851238419E+03 0.50332E-02 -0.10432E-02 5610 0.211E-01 0.251E-01 RMM: 4 -0.317851640344E+03 -0.40193E-03 -0.16802E-03 5012 0.103E-01 0.380E-01 RMM: 5 -0.317850752378E+03 0.88797E-03 -0.76345E-04 4604 0.744E-02 0.155E-01 RMM: 6 -0.317850699271E+03 0.53107E-04 -0.24562E-04 3900 0.409E-02 0.131E-01 RMM: 7 -0.317850692828E+03 0.64436E-05 -0.12951E-04 3877 0.338E-02 1160 T= 6046. E= 0.67559588E+03 F= 0.62557959E+03 E0= 0.65394403E+03 EK= 0.50016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317387489603E+03 0.46321E+00 -0.17451E-01 7788 0.237E+01 0.324E-01 RMM: 2 -0.317401567205E+03 -0.14078E-01 -0.10516E-01 4793 0.781E-01 0.962E-01 RMM: 3 -0.317395321471E+03 0.62457E-02 -0.12869E-02 5597 0.232E-01 0.260E-01 RMM: 4 -0.317395446933E+03 -0.12546E-03 -0.17138E-03 5052 0.101E-01 0.331E-01 RMM: 5 -0.317394919019E+03 0.52791E-03 -0.62432E-04 4587 0.663E-02 0.195E-01 RMM: 6 -0.317394683836E+03 0.23518E-03 -0.20977E-04 3895 0.382E-02 0.705E-02 RMM: 7 -0.317394758186E+03 -0.74350E-04 -0.98551E-05 3742 0.273E-02 0.124E-01 RMM: 8 -0.317394662165E+03 0.96021E-04 -0.45665E-05 3232 0.212E-02 0.391E-02 RMM: 9 -0.317394657893E+03 0.42720E-05 -0.13029E-05 2505 0.106E-02 1161 T= 6327. E= 0.67869147E+03 F= 0.62635181E+03 E0= 0.65473759E+03 EK= 0.52340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316986079058E+03 0.40858E+00 -0.19256E-01 7656 0.242E+01 0.306E-01 RMM: 2 -0.317002824392E+03 -0.16745E-01 -0.12864E-01 4753 0.845E-01 0.960E-01 RMM: 3 -0.316996123977E+03 0.67004E-02 -0.15198E-02 5705 0.239E-01 0.177E-01 RMM: 4 -0.316996771733E+03 -0.64776E-03 -0.16389E-03 5060 0.986E-02 0.405E-01 RMM: 5 -0.316995718310E+03 0.10534E-02 -0.55256E-04 4540 0.619E-02 0.103E-01 RMM: 6 -0.316995679951E+03 0.38358E-04 -0.12177E-04 3832 0.281E-02 0.779E-02 RMM: 7 -0.316995679784E+03 0.16742E-06 -0.50724E-05 3259 0.207E-02 1162 T= 6675. E= 0.68228466E+03 F= 0.62706179E+03 E0= 0.65546192E+03 EK= 0.55223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316661770303E+03 0.33391E+00 -0.19978E-01 7824 0.247E+01 0.361E-01 RMM: 2 -0.316677524073E+03 -0.15754E-01 -0.12162E-01 4943 0.811E-01 0.100E+00 RMM: 3 -0.316670673689E+03 0.68504E-02 -0.14339E-02 5662 0.241E-01 0.265E-01 RMM: 4 -0.316671305968E+03 -0.63228E-03 -0.21207E-03 5131 0.112E-01 0.439E-01 RMM: 5 -0.316670135662E+03 0.11703E-02 -0.76118E-04 4594 0.730E-02 0.169E-01 RMM: 6 -0.316669961709E+03 0.17395E-03 -0.16098E-04 3874 0.322E-02 0.728E-02 RMM: 7 -0.316670004738E+03 -0.43029E-04 -0.97986E-05 3805 0.271E-02 0.111E-01 RMM: 8 -0.316669926788E+03 0.77950E-04 -0.48437E-05 3265 0.211E-02 0.291E-02 RMM: 9 -0.316669938522E+03 -0.11734E-04 -0.14721E-05 2521 0.109E-02 1163 T= 6971. E= 0.68536170E+03 F= 0.62769371E+03 E0= 0.65610254E+03 EK= 0.57668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316416653636E+03 0.25327E+00 -0.20805E-01 8148 0.250E+01 0.312E-01 RMM: 2 -0.316431406767E+03 -0.14753E-01 -0.13858E-01 4966 0.840E-01 0.729E-01 RMM: 3 -0.316427505147E+03 0.39016E-02 -0.15014E-02 5827 0.227E-01 0.229E-01 RMM: 4 -0.316427931790E+03 -0.42664E-03 -0.16088E-03 5003 0.999E-02 0.390E-01 RMM: 5 -0.316426958192E+03 0.97360E-03 -0.59107E-04 4565 0.639E-02 0.135E-01 RMM: 6 -0.316426855649E+03 0.10254E-03 -0.13998E-04 3876 0.310E-02 0.646E-02 RMM: 7 -0.316426901727E+03 -0.46078E-04 -0.56436E-05 3338 0.211E-02 0.105E-01 RMM: 8 -0.316426832789E+03 0.68937E-04 -0.35543E-05 3024 0.189E-02 0.279E-02 RMM: 9 -0.316426833676E+03 -0.88607E-06 -0.10453E-05 2479 0.920E-03 1164 T= 7091. E= 0.68690007E+03 F= 0.62824115E+03 E0= 0.65665260E+03 EK= 0.58659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316263706824E+03 0.16313E+00 -0.21336E-01 8352 0.250E+01 0.337E-01 RMM: 2 -0.316279876798E+03 -0.16170E-01 -0.14323E-01 4987 0.852E-01 0.834E-01 RMM: 3 -0.316274726104E+03 0.51507E-02 -0.15312E-02 5765 0.239E-01 0.237E-01 RMM: 4 -0.316275249809E+03 -0.52370E-03 -0.18838E-03 5057 0.108E-01 0.416E-01 RMM: 5 -0.316274165461E+03 0.10843E-02 -0.73642E-04 4604 0.720E-02 0.146E-01 RMM: 6 -0.316274054298E+03 0.11116E-03 -0.16468E-04 3896 0.330E-02 0.819E-02 RMM: 7 -0.316274106774E+03 -0.52476E-04 -0.99787E-05 3801 0.275E-02 0.122E-01 RMM: 8 -0.316274011802E+03 0.94972E-04 -0.55395E-05 3347 0.226E-02 0.358E-02 RMM: 9 -0.316274011784E+03 0.18037E-07 -0.13106E-05 2516 0.105E-02 1165 T= 6979. E= 0.68643364E+03 F= 0.62870117E+03 E0= 0.65711072E+03 EK= 0.57732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316212603368E+03 0.61408E-01 -0.21408E-01 8544 0.246E+01 0.338E-01 RMM: 2 -0.316230490104E+03 -0.17887E-01 -0.14513E-01 5044 0.845E-01 0.952E-01 RMM: 3 -0.316223549372E+03 0.69407E-02 -0.14503E-02 5744 0.241E-01 0.240E-01 RMM: 4 -0.316224048999E+03 -0.49963E-03 -0.18926E-03 5070 0.107E-01 0.405E-01 RMM: 5 -0.316223060288E+03 0.98871E-03 -0.72458E-04 4583 0.715E-02 0.163E-01 RMM: 6 -0.316222926480E+03 0.13381E-03 -0.21086E-04 3892 0.380E-02 0.891E-02 RMM: 7 -0.316222988516E+03 -0.62036E-04 -0.96549E-05 3729 0.279E-02 0.130E-01 RMM: 8 -0.316222879709E+03 0.10881E-03 -0.53189E-05 3336 0.221E-02 0.340E-02 RMM: 9 -0.316222881322E+03 -0.16131E-05 -0.12616E-05 2512 0.103E-02 1166 T= 6685. E= 0.68436667E+03 F= 0.62906721E+03 E0= 0.65747073E+03 EK= 0.55299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316272803040E+03 -0.49923E-01 -0.21647E-01 8460 0.241E+01 0.344E-01 RMM: 2 -0.316293797720E+03 -0.20995E-01 -0.15789E-01 4957 0.876E-01 0.108E+00 RMM: 3 -0.316284898812E+03 0.88989E-02 -0.16466E-02 5689 0.259E-01 0.245E-01 RMM: 4 -0.316285328202E+03 -0.42939E-03 -0.21338E-03 5196 0.113E-01 0.395E-01 RMM: 5 -0.316284472102E+03 0.85610E-03 -0.77121E-04 4587 0.739E-02 0.194E-01 RMM: 6 -0.316284249375E+03 0.22273E-03 -0.23572E-04 3896 0.399E-02 0.860E-02 RMM: 7 -0.316284311151E+03 -0.61776E-04 -0.13564E-04 3875 0.330E-02 0.129E-01 RMM: 8 -0.316284206974E+03 0.10418E-03 -0.63201E-05 3428 0.242E-02 0.386E-02 RMM: 9 -0.316284205795E+03 0.11790E-05 -0.12378E-05 2517 0.104E-02 1167 T= 6330. E= 0.68170023E+03 F= 0.62933202E+03 E0= 0.65772723E+03 EK= 0.52368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316447704299E+03 -0.16350E+00 -0.21743E-01 8844 0.236E+01 0.361E-01 RMM: 2 -0.316468234751E+03 -0.20530E-01 -0.15229E-01 5051 0.860E-01 0.110E+00 RMM: 3 -0.316459023445E+03 0.92113E-02 -0.15264E-02 5682 0.250E-01 0.258E-01 RMM: 4 -0.316459466521E+03 -0.44308E-03 -0.20627E-03 5097 0.111E-01 0.412E-01 RMM: 5 -0.316458465819E+03 0.10007E-02 -0.88706E-04 4608 0.805E-02 0.175E-01 RMM: 6 -0.316458326759E+03 0.13906E-03 -0.25529E-04 3900 0.417E-02 0.103E-01 RMM: 7 -0.316458375185E+03 -0.48425E-04 -0.11611E-04 3840 0.313E-02 0.133E-01 RMM: 8 -0.316458261160E+03 0.11402E-03 -0.59224E-05 3398 0.231E-02 0.379E-02 RMM: 9 -0.316458263566E+03 -0.24054E-05 -0.14499E-05 2517 0.111E-02 1168 T= 6041. E= 0.67947000E+03 F= 0.62949623E+03 E0= 0.65788072E+03 EK= 0.49974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316716027390E+03 -0.25777E+00 -0.21463E-01 8724 0.233E+01 0.351E-01 RMM: 2 -0.316735092434E+03 -0.19065E-01 -0.15510E-01 5041 0.856E-01 0.961E-01 RMM: 3 -0.316727653128E+03 0.74393E-02 -0.15168E-02 5711 0.246E-01 0.266E-01 RMM: 4 -0.316728083333E+03 -0.43020E-03 -0.21666E-03 5169 0.115E-01 0.410E-01 RMM: 5 -0.316727121684E+03 0.96165E-03 -0.82532E-04 4597 0.775E-02 0.187E-01 RMM: 6 -0.316726920576E+03 0.20111E-03 -0.21977E-04 3894 0.384E-02 0.871E-02 RMM: 7 -0.316726971718E+03 -0.51142E-04 -0.12464E-04 3869 0.320E-02 0.124E-01 RMM: 8 -0.316726874959E+03 0.96759E-04 -0.54555E-05 3342 0.224E-02 0.341E-02 RMM: 9 -0.316726877943E+03 -0.29839E-05 -0.12584E-05 2513 0.103E-02 1169 T= 5899. E= 0.67837766E+03 F= 0.62957598E+03 E0= 0.65794876E+03 EK= 0.48802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317034716117E+03 -0.30784E+00 -0.21449E-01 8844 0.232E+01 0.372E-01 RMM: 2 -0.317055213612E+03 -0.20497E-01 -0.15657E-01 5096 0.853E-01 0.107E+00 RMM: 3 -0.317046120941E+03 0.90927E-02 -0.15432E-02 5684 0.245E-01 0.253E-01 RMM: 4 -0.317046895775E+03 -0.77483E-03 -0.22778E-03 5170 0.117E-01 0.468E-01 RMM: 5 -0.317045523977E+03 0.13718E-02 -0.89517E-04 4609 0.802E-02 0.157E-01 RMM: 6 -0.317045406392E+03 0.11758E-03 -0.20559E-04 3883 0.369E-02 0.917E-02 RMM: 7 -0.317045451268E+03 -0.44876E-04 -0.96671E-05 3765 0.276E-02 0.124E-01 RMM: 8 -0.317045352875E+03 0.98393E-04 -0.50655E-05 3301 0.215E-02 0.337E-02 RMM: 9 -0.317045356148E+03 -0.32735E-05 -0.13070E-05 2510 0.103E-02 1170 T= 5936. E= 0.67872070E+03 F= 0.62961168E+03 E0= 0.65797136E+03 EK= 0.49109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317331922404E+03 -0.28657E+00 -0.21723E-01 8640 0.235E+01 0.362E-01 RMM: 2 -0.317349399254E+03 -0.17477E-01 -0.16294E-01 5154 0.861E-01 0.796E-01 RMM: 3 -0.317344037443E+03 0.53618E-02 -0.15313E-02 5759 0.238E-01 0.295E-01 RMM: 4 -0.317344673591E+03 -0.63615E-03 -0.21342E-03 5155 0.114E-01 0.466E-01 RMM: 5 -0.317343294589E+03 0.13790E-02 -0.83848E-04 4603 0.776E-02 0.153E-01 RMM: 6 -0.317343167728E+03 0.12686E-03 -0.18002E-04 3881 0.342E-02 0.821E-02 RMM: 7 -0.317343210735E+03 -0.43007E-04 -0.90243E-05 3721 0.267E-02 0.116E-01 RMM: 8 -0.317343124278E+03 0.86456E-04 -0.43361E-05 3198 0.200E-02 0.285E-02 RMM: 9 -0.317343131787E+03 -0.75087E-05 -0.14309E-05 2512 0.107E-02 1171 T= 6136. E= 0.68042687E+03 F= 0.62966886E+03 E0= 0.65801511E+03 EK= 0.50758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317520097980E+03 -0.17697E+00 -0.22227E-01 8604 0.240E+01 0.380E-01 RMM: 2 -0.317540112806E+03 -0.20015E-01 -0.16710E-01 5080 0.886E-01 0.984E-01 RMM: 3 -0.317532381449E+03 0.77314E-02 -0.16480E-02 5717 0.252E-01 0.260E-01 RMM: 4 -0.317533192130E+03 -0.81068E-03 -0.22727E-03 5225 0.116E-01 0.478E-01 RMM: 5 -0.317531712974E+03 0.14792E-02 -0.87559E-04 4608 0.789E-02 0.144E-01 RMM: 6 -0.317531607751E+03 0.10522E-03 -0.18298E-04 3881 0.346E-02 0.852E-02 RMM: 7 -0.317531651163E+03 -0.43413E-04 -0.91708E-05 3748 0.262E-02 0.118E-01 RMM: 8 -0.317531560800E+03 0.90363E-04 -0.48000E-05 3263 0.207E-02 0.355E-02 RMM: 9 -0.317531561129E+03 -0.32926E-06 -0.14293E-05 2514 0.108E-02 1172 T= 6434. E= 0.68306040E+03 F= 0.62983220E+03 E0= 0.65816476E+03 EK= 0.53228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317514803528E+03 0.16757E-01 -0.22940E-01 8520 0.246E+01 0.378E-01 RMM: 2 -0.317533887337E+03 -0.19084E-01 -0.17213E-01 5124 0.903E-01 0.885E-01 RMM: 3 -0.317527779347E+03 0.61080E-02 -0.17098E-02 5787 0.252E-01 0.311E-01 RMM: 4 -0.317528354552E+03 -0.57521E-03 -0.22862E-03 5195 0.116E-01 0.470E-01 RMM: 5 -0.317526969107E+03 0.13854E-02 -0.85666E-04 4605 0.775E-02 0.170E-01 RMM: 6 -0.317526798491E+03 0.17062E-03 -0.21077E-04 3888 0.376E-02 0.802E-02 RMM: 7 -0.317526865750E+03 -0.67260E-04 -0.11329E-04 3863 0.287E-02 0.129E-01 RMM: 8 -0.317526757101E+03 0.10865E-03 -0.57457E-05 3379 0.222E-02 0.370E-02 RMM: 9 -0.317526756702E+03 0.39839E-06 -0.16578E-05 2528 0.118E-02 1173 T= 6728. E= 0.68584488E+03 F= 0.63018401E+03 E0= 0.65850419E+03 EK= 0.55661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317268230916E+03 0.25853E+00 -0.23240E-01 8532 0.250E+01 0.385E-01 RMM: 2 -0.317290915755E+03 -0.22685E-01 -0.16672E-01 5101 0.889E-01 0.117E+00 RMM: 3 -0.317280399972E+03 0.10516E-01 -0.16953E-02 5644 0.261E-01 0.253E-01 RMM: 4 -0.317281185708E+03 -0.78574E-03 -0.24134E-03 5218 0.118E-01 0.467E-01 RMM: 5 -0.317279808347E+03 0.13774E-02 -0.82591E-04 4604 0.762E-02 0.162E-01 RMM: 6 -0.317279665785E+03 0.14256E-03 -0.19613E-04 3877 0.357E-02 0.854E-02 RMM: 7 -0.317279704410E+03 -0.38624E-04 -0.10011E-04 3827 0.271E-02 0.117E-01 RMM: 8 -0.317279616658E+03 0.87752E-04 -0.48074E-05 3273 0.204E-02 0.317E-02 RMM: 9 -0.317279620748E+03 -0.40902E-05 -0.14054E-05 2507 0.107E-02 1174 T= 6902. E= 0.68786999E+03 F= 0.63077462E+03 E0= 0.65908491E+03 EK= 0.57095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316796159560E+03 0.48346E+00 -0.22351E-01 8724 0.250E+01 0.366E-01 RMM: 2 -0.316813913974E+03 -0.17754E-01 -0.14720E-01 5290 0.823E-01 0.953E-01 RMM: 3 -0.316806616080E+03 0.72979E-02 -0.13333E-02 5631 0.235E-01 0.297E-01 RMM: 4 -0.316807068359E+03 -0.45228E-03 -0.21028E-03 5106 0.111E-01 0.424E-01 RMM: 5 -0.316805981716E+03 0.10866E-02 -0.78876E-04 4603 0.746E-02 0.186E-01 RMM: 6 -0.316805782984E+03 0.19873E-03 -0.23086E-04 3895 0.396E-02 0.859E-02 RMM: 7 -0.316805862437E+03 -0.79453E-04 -0.12289E-04 3876 0.300E-02 0.137E-01 RMM: 8 -0.316805736392E+03 0.12605E-03 -0.61485E-05 3432 0.231E-02 0.356E-02 RMM: 9 -0.316805735858E+03 0.53362E-06 -0.15644E-05 2528 0.114E-02 1175 T= 6882. E= 0.68852143E+03 F= 0.63159181E+03 E0= 0.65989692E+03 EK= 0.56930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316187479741E+03 0.61826E+00 -0.21263E-01 8400 0.247E+01 0.362E-01 RMM: 2 -0.316208381588E+03 -0.20902E-01 -0.14509E-01 5298 0.826E-01 0.117E+00 RMM: 3 -0.316197794492E+03 0.10587E-01 -0.13602E-02 5644 0.235E-01 0.244E-01 RMM: 4 -0.316198303787E+03 -0.50929E-03 -0.20964E-03 5081 0.112E-01 0.409E-01 RMM: 5 -0.316197234635E+03 0.10692E-02 -0.78700E-04 4607 0.754E-02 0.155E-01 RMM: 6 -0.316197169232E+03 0.65403E-04 -0.23940E-04 3882 0.398E-02 0.126E-01 RMM: 7 -0.316197159676E+03 0.95564E-05 -0.11941E-04 3873 0.313E-02 1176 T= 6684. E= 0.68784460E+03 F= 0.63254764E+03 E0= 0.66085391E+03 EK= 0.55297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315587595627E+03 0.60957E+00 -0.19885E-01 8436 0.242E+01 0.365E-01 RMM: 2 -0.315604219681E+03 -0.16624E-01 -0.13733E-01 5263 0.817E-01 0.931E-01 RMM: 3 -0.315597502224E+03 0.67175E-02 -0.12977E-02 5662 0.226E-01 0.295E-01 RMM: 4 -0.315597834602E+03 -0.33238E-03 -0.20594E-03 5043 0.114E-01 0.413E-01 RMM: 5 -0.315596790724E+03 0.10439E-02 -0.96098E-04 4608 0.840E-02 0.181E-01 RMM: 6 -0.315596696169E+03 0.94555E-04 -0.29446E-04 3912 0.443E-02 0.143E-01 RMM: 7 -0.315596667288E+03 0.28881E-04 -0.16068E-04 3886 0.368E-02 0.128E-01 RMM: 8 -0.315596563279E+03 0.10401E-03 -0.75758E-05 3533 0.255E-02 0.378E-02 RMM: 9 -0.315596579118E+03 -0.15839E-04 -0.21182E-05 2621 0.132E-02 1177 T= 6405. E= 0.68648552E+03 F= 0.63350267E+03 E0= 0.66181563E+03 EK= 0.52983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315142822981E+03 0.45374E+00 -0.17925E-01 7908 0.237E+01 0.314E-01 RMM: 2 -0.315159010058E+03 -0.16187E-01 -0.12638E-01 5033 0.807E-01 0.940E-01 RMM: 3 -0.315152340162E+03 0.66699E-02 -0.13515E-02 5687 0.230E-01 0.227E-01 RMM: 4 -0.315152651623E+03 -0.31146E-03 -0.16598E-03 5035 0.102E-01 0.367E-01 RMM: 5 -0.315151770202E+03 0.88142E-03 -0.68988E-04 4603 0.712E-02 0.135E-01 RMM: 6 -0.315151772222E+03 -0.20202E-05 -0.26339E-04 3911 0.422E-02 0.139E-01 RMM: 7 -0.315151745108E+03 0.27115E-04 -0.10757E-04 3791 0.302E-02 0.124E-01 RMM: 8 -0.315151642773E+03 0.10233E-03 -0.53138E-05 3337 0.216E-02 0.302E-02 RMM: 9 -0.315151641442E+03 0.13309E-05 -0.97301E-06 2487 0.893E-03 1178 T= 6161. E= 0.68527471E+03 F= 0.63431040E+03 E0= 0.66263711E+03 EK= 0.50964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314962156144E+03 0.18949E+00 -0.16260E-01 7956 0.233E+01 0.370E-01 RMM: 2 -0.314975523529E+03 -0.13367E-01 -0.98722E-02 5125 0.722E-01 0.986E-01 RMM: 3 -0.314968602814E+03 0.69207E-02 -0.10609E-02 5566 0.213E-01 0.286E-01 RMM: 4 -0.314968928647E+03 -0.32583E-03 -0.21893E-03 5083 0.118E-01 0.398E-01 RMM: 5 -0.314968055791E+03 0.87286E-03 -0.99762E-04 4617 0.868E-02 0.215E-01 RMM: 6 -0.314967802626E+03 0.25317E-03 -0.27760E-04 3922 0.438E-02 0.106E-01 RMM: 7 -0.314967853791E+03 -0.51165E-04 -0.15345E-04 3882 0.347E-02 0.139E-01 RMM: 8 -0.314967730716E+03 0.12308E-03 -0.70206E-05 3467 0.252E-02 0.410E-02 RMM: 9 -0.314967729942E+03 0.77407E-06 -0.16144E-05 2536 0.116E-02 1179 T= 6042. E= 0.68484781E+03 F= 0.63486405E+03 E0= 0.66321075E+03 EK= 0.49984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315083887901E+03 -0.11616E+00 -0.15806E-01 8136 0.233E+01 0.369E-01 RMM: 2 -0.315096881395E+03 -0.12993E-01 -0.81551E-02 5115 0.675E-01 0.109E+00 RMM: 3 -0.315088666138E+03 0.82153E-02 -0.93149E-03 5490 0.211E-01 0.238E-01 RMM: 4 -0.315089642940E+03 -0.97680E-03 -0.20199E-03 5027 0.112E-01 0.466E-01 RMM: 5 -0.315088205256E+03 0.14377E-02 -0.81595E-04 4608 0.766E-02 0.137E-01 RMM: 6 -0.315088180530E+03 0.24727E-04 -0.23755E-04 3889 0.395E-02 0.128E-01 RMM: 7 -0.315088158434E+03 0.22095E-04 -0.92848E-05 3704 0.285E-02 0.115E-01 RMM: 8 -0.315088073138E+03 0.85296E-04 -0.44010E-05 3217 0.199E-02 0.292E-02 RMM: 9 -0.315088083084E+03 -0.99457E-05 -0.14271E-05 2512 0.106E-02 1180 T= 6089. E= 0.68548681E+03 F= 0.63511706E+03 E0= 0.66348856E+03 EK= 0.50370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315487586622E+03 -0.39951E+00 -0.15561E-01 8136 0.237E+01 0.384E-01 RMM: 2 -0.315500796833E+03 -0.13210E-01 -0.79193E-02 5165 0.662E-01 0.112E+00 RMM: 3 -0.315492067853E+03 0.87290E-02 -0.91655E-03 5451 0.209E-01 0.272E-01 RMM: 4 -0.315492938835E+03 -0.87098E-03 -0.22826E-03 5132 0.118E-01 0.467E-01 RMM: 5 -0.315491636448E+03 0.13024E-02 -0.88681E-04 4602 0.811E-02 0.196E-01 RMM: 6 -0.315491395737E+03 0.24071E-03 -0.21306E-04 3892 0.380E-02 0.726E-02 RMM: 7 -0.315491446065E+03 -0.50328E-04 -0.88729E-05 3634 0.264E-02 0.116E-01 RMM: 8 -0.315491357334E+03 0.88731E-04 -0.44200E-05 3228 0.205E-02 0.238E-02 RMM: 9 -0.315491370247E+03 -0.12913E-04 -0.14933E-05 2521 0.109E-02 1181 T= 6287. E= 0.68709755E+03 F= 0.63508696E+03 E0= 0.66348741E+03 EK= 0.52011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316100901467E+03 -0.60954E+00 -0.16204E-01 8172 0.243E+01 0.388E-01 RMM: 2 -0.316109389604E+03 -0.84881E-02 -0.74372E-02 5278 0.644E-01 0.844E-01 RMM: 3 -0.316104864957E+03 0.45246E-02 -0.76872E-03 5459 0.192E-01 0.299E-01 RMM: 4 -0.316105895645E+03 -0.10307E-02 -0.18528E-03 4816 0.107E-01 0.507E-01 RMM: 5 -0.316104136933E+03 0.17587E-02 -0.83481E-04 4584 0.751E-02 0.104E-01 RMM: 6 -0.316104159961E+03 -0.23028E-04 -0.17598E-04 3875 0.338E-02 0.126E-01 RMM: 7 -0.316104105741E+03 0.54220E-04 -0.65552E-05 3491 0.236E-02 0.929E-02 RMM: 8 -0.316104049919E+03 0.55822E-04 -0.35093E-05 3045 0.177E-02 0.281E-02 RMM: 9 -0.316104064289E+03 -0.14370E-04 -0.17657E-05 2529 0.119E-02 1182 T= 6571. E= 0.68920382E+03 F= 0.63484465E+03 E0= 0.66327611E+03 EK= 0.54359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316819576635E+03 -0.71553E+00 -0.17084E-01 7968 0.249E+01 0.397E-01 RMM: 2 -0.316829769080E+03 -0.10192E-01 -0.85898E-02 5209 0.690E-01 0.904E-01 RMM: 3 -0.316824554786E+03 0.52143E-02 -0.91847E-03 5556 0.203E-01 0.303E-01 RMM: 4 -0.316825503121E+03 -0.94833E-03 -0.21094E-03 4986 0.112E-01 0.503E-01 RMM: 5 -0.316823854729E+03 0.16484E-02 -0.91857E-04 4599 0.809E-02 0.145E-01 RMM: 6 -0.316823752523E+03 0.10221E-03 -0.17745E-04 3885 0.341E-02 0.902E-02 RMM: 7 -0.316823786385E+03 -0.33862E-04 -0.91607E-05 3738 0.264E-02 0.119E-01 RMM: 8 -0.316823694019E+03 0.92366E-04 -0.47618E-05 3243 0.208E-02 0.287E-02 RMM: 9 -0.316823705925E+03 -0.11906E-04 -0.17881E-05 2546 0.120E-02 1183 T= 6832. E= 0.69101119E+03 F= 0.63449236E+03 E0= 0.66295510E+03 EK= 0.56519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317548599381E+03 -0.72491E+00 -0.18037E-01 7980 0.254E+01 0.395E-01 RMM: 2 -0.317558678251E+03 -0.10079E-01 -0.88674E-02 5215 0.698E-01 0.877E-01 RMM: 3 -0.317553760948E+03 0.49173E-02 -0.90761E-03 5538 0.200E-01 0.280E-01 RMM: 4 -0.317554675229E+03 -0.91428E-03 -0.19101E-03 4870 0.108E-01 0.490E-01 RMM: 5 -0.317553054582E+03 0.16206E-02 -0.86889E-04 4597 0.772E-02 0.106E-01 RMM: 6 -0.317553080071E+03 -0.25489E-04 -0.19088E-04 3884 0.351E-02 0.129E-01 RMM: 7 -0.317553027055E+03 0.53016E-04 -0.73816E-05 3578 0.249E-02 0.991E-02 RMM: 8 -0.317552963782E+03 0.63273E-04 -0.37267E-05 3096 0.180E-02 0.285E-02 RMM: 9 -0.317552978880E+03 -0.15098E-04 -0.18211E-05 2539 0.121E-02 1184 T= 6957. E= 0.69167931E+03 F= 0.63412986E+03 E0= 0.66262184E+03 EK= 0.57549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318229721071E+03 -0.67676E+00 -0.18533E-01 7716 0.255E+01 0.394E-01 RMM: 2 -0.318241197318E+03 -0.11476E-01 -0.89004E-02 5213 0.702E-01 0.968E-01 RMM: 3 -0.318234977595E+03 0.62197E-02 -0.96095E-03 5552 0.206E-01 0.281E-01 RMM: 4 -0.318235903073E+03 -0.92548E-03 -0.22470E-03 5121 0.117E-01 0.490E-01 RMM: 5 -0.318234361791E+03 0.15413E-02 -0.98470E-04 4609 0.852E-02 0.157E-01 RMM: 6 -0.318234255641E+03 0.10615E-03 -0.19912E-04 3888 0.359E-02 0.104E-01 RMM: 7 -0.318234273744E+03 -0.18103E-04 -0.10460E-04 3786 0.287E-02 1185 T= 6885. E= 0.69077418E+03 F= 0.63381911E+03 E0= 0.66233581E+03 EK= 0.56955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318860812148E+03 -0.62656E+00 -0.18766E-01 7716 0.252E+01 0.398E-01 RMM: 2 -0.318870695136E+03 -0.98830E-02 -0.88644E-02 5162 0.707E-01 0.844E-01 RMM: 3 -0.318866194003E+03 0.45011E-02 -0.94053E-03 5571 0.201E-01 0.294E-01 RMM: 4 -0.318867122290E+03 -0.92829E-03 -0.22642E-03 5143 0.120E-01 0.505E-01 RMM: 5 -0.318865380855E+03 0.17414E-02 -0.11568E-03 4614 0.922E-02 0.105E-01 RMM: 6 -0.318865574805E+03 -0.19395E-03 -0.26708E-04 3889 0.416E-02 0.203E-01 RMM: 7 -0.318865350357E+03 0.22445E-03 -0.11260E-04 3832 0.324E-02 0.927E-02 RMM: 8 -0.318865299564E+03 0.50793E-04 -0.43896E-05 3212 0.188E-02 0.355E-02 RMM: 9 -0.318865325936E+03 -0.26371E-04 -0.19812E-05 2579 0.124E-02 0.642E-02 RMM: 10 -0.318865305059E+03 0.20877E-04 -0.16327E-05 2520 0.131E-02 0.169E-02 RMM: 11 -0.318865304906E+03 0.15270E-06 -0.32202E-06 2433 0.539E-03 1186 T= 6648. E= 0.68856221E+03 F= 0.63356715E+03 E0= 0.66210581E+03 EK= 0.54995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319487258940E+03 -0.62195E+00 -0.19052E-01 7620 0.247E+01 0.340E-01 RMM: 2 -0.319497360400E+03 -0.10101E-01 -0.10320E-01 4987 0.756E-01 0.672E-01 RMM: 3 -0.319494508386E+03 0.28520E-02 -0.11420E-02 5810 0.203E-01 0.267E-01 RMM: 4 -0.319495055592E+03 -0.54721E-03 -0.18371E-03 5027 0.110E-01 0.447E-01 RMM: 5 -0.319493776129E+03 0.12795E-02 -0.97635E-04 4604 0.858E-02 0.139E-01 RMM: 6 -0.319493759807E+03 0.16322E-04 -0.25101E-04 3896 0.411E-02 0.135E-01 RMM: 7 -0.319493710567E+03 0.49240E-04 -0.10055E-04 3719 0.304E-02 0.108E-01 RMM: 8 -0.319493633488E+03 0.77079E-04 -0.32416E-05 3028 0.175E-02 0.247E-02 RMM: 9 -0.319493637894E+03 -0.44064E-05 -0.11473E-05 2478 0.949E-03 1187 T= 6347. E= 0.68584060E+03 F= 0.63332990E+03 E0= 0.66188628E+03 EK= 0.52511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320181440995E+03 -0.68781E+00 -0.18097E-01 7488 0.242E+01 0.374E-01 RMM: 2 -0.320190478311E+03 -0.90373E-02 -0.87968E-02 5026 0.712E-01 0.736E-01 RMM: 3 -0.320187076868E+03 0.34014E-02 -0.97092E-03 5662 0.196E-01 0.281E-01 RMM: 4 -0.320187841075E+03 -0.76421E-03 -0.22743E-03 5196 0.124E-01 0.480E-01 RMM: 5 -0.320186312085E+03 0.15290E-02 -0.11827E-03 4609 0.940E-02 0.116E-01 RMM: 6 -0.320186411569E+03 -0.99485E-04 -0.29996E-04 3925 0.458E-02 0.171E-01 RMM: 7 -0.320186277920E+03 0.13365E-03 -0.11730E-04 3850 0.339E-02 0.104E-01 RMM: 8 -0.320186211712E+03 0.66207E-04 -0.38182E-05 3122 0.182E-02 0.346E-02 RMM: 9 -0.320186230719E+03 -0.19006E-04 -0.20923E-05 2594 0.131E-02 1188 T= 6098. E= 0.68348726E+03 F= 0.63304126E+03 E0= 0.66161199E+03 EK= 0.50446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320992791233E+03 -0.80658E+00 -0.17596E-01 7572 0.238E+01 0.360E-01 RMM: 2 -0.321002592775E+03 -0.98015E-02 -0.96522E-02 4944 0.738E-01 0.719E-01 RMM: 3 -0.320999281065E+03 0.33117E-02 -0.10687E-02 5641 0.204E-01 0.282E-01 RMM: 4 -0.321000067608E+03 -0.78654E-03 -0.21467E-03 5175 0.120E-01 0.481E-01 RMM: 5 -0.320998565251E+03 0.15024E-02 -0.11026E-03 4610 0.915E-02 0.134E-01 RMM: 6 -0.320998592416E+03 -0.27165E-04 -0.24038E-04 3885 0.398E-02 0.154E-01 RMM: 7 -0.320998490460E+03 0.10196E-03 -0.11941E-04 3841 0.336E-02 0.926E-02 RMM: 8 -0.320998437879E+03 0.52581E-04 -0.34900E-05 3067 0.181E-02 0.306E-02 RMM: 9 -0.320998452650E+03 -0.14772E-04 -0.16412E-05 2526 0.116E-02 1189 T= 5980. E= 0.68211795E+03 F= 0.63264374E+03 E0= 0.66122783E+03 EK= 0.49474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321953845345E+03 -0.95541E+00 -0.16842E-01 7680 0.237E+01 0.387E-01 RMM: 2 -0.321962270742E+03 -0.84254E-02 -0.80615E-02 5025 0.678E-01 0.772E-01 RMM: 3 -0.321958502199E+03 0.37685E-02 -0.88481E-03 5489 0.197E-01 0.301E-01 RMM: 4 -0.321959531294E+03 -0.10291E-02 -0.23434E-03 5231 0.123E-01 0.517E-01 RMM: 5 -0.321957770064E+03 0.17612E-02 -0.11225E-03 4610 0.913E-02 0.139E-01 RMM: 6 -0.321957743758E+03 0.26306E-04 -0.25783E-04 3899 0.416E-02 0.132E-01 RMM: 7 -0.321957708748E+03 0.35010E-04 -0.10240E-04 3809 0.309E-02 0.113E-01 RMM: 8 -0.321957625726E+03 0.83022E-04 -0.39788E-05 3154 0.190E-02 0.307E-02 RMM: 9 -0.321957637207E+03 -0.11481E-04 -0.16860E-05 2539 0.116E-02 1190 T= 6029. E= 0.68198080E+03 F= 0.63210559E+03 E0= 0.66070244E+03 EK= 0.49875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323053462393E+03 -0.10958E+01 -0.16792E-01 7668 0.239E+01 0.395E-01 RMM: 2 -0.323061467213E+03 -0.80048E-02 -0.78725E-02 5037 0.665E-01 0.772E-01 RMM: 3 -0.323057841711E+03 0.36255E-02 -0.84593E-03 5484 0.193E-01 0.313E-01 RMM: 4 -0.323058832030E+03 -0.99032E-03 -0.21522E-03 5154 0.118E-01 0.522E-01 RMM: 5 -0.323057076239E+03 0.17558E-02 -0.10648E-03 4608 0.885E-02 0.138E-01 RMM: 6 -0.323057028006E+03 0.48233E-04 -0.20545E-04 3891 0.365E-02 0.115E-01 RMM: 7 -0.323056999511E+03 0.28495E-04 -0.90790E-05 3693 0.281E-02 0.974E-02 RMM: 8 -0.323056938250E+03 0.61260E-04 -0.38180E-05 3111 0.191E-02 0.284E-02 RMM: 9 -0.323056951417E+03 -0.13167E-04 -0.16393E-05 2523 0.114E-02 1191 T= 6229. E= 0.68296029E+03 F= 0.63142865E+03 E0= 0.66003927E+03 EK= 0.51532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324251391704E+03 -0.11945E+01 -0.17656E-01 7644 0.243E+01 0.409E-01 RMM: 2 -0.324260036022E+03 -0.86443E-02 -0.86435E-02 5014 0.709E-01 0.786E-01 RMM: 3 -0.324256346442E+03 0.36896E-02 -0.97524E-03 5458 0.211E-01 0.332E-01 RMM: 4 -0.324257304695E+03 -0.95825E-03 -0.22249E-03 5177 0.118E-01 0.524E-01 RMM: 5 -0.324255479461E+03 0.18252E-02 -0.99410E-04 4606 0.839E-02 0.117E-01 RMM: 6 -0.324255480471E+03 -0.10098E-05 -0.20214E-04 3885 0.359E-02 0.126E-01 RMM: 7 -0.324255445977E+03 0.34494E-04 -0.79433E-05 3611 0.260E-02 0.108E-01 RMM: 8 -0.324255371192E+03 0.74785E-04 -0.40447E-05 3148 0.191E-02 0.276E-02 RMM: 9 -0.324255385478E+03 -0.14286E-04 -0.16858E-05 2529 0.115E-02 1192 T= 6519. E= 0.68457858E+03 F= 0.63065024E+03 E0= 0.65927603E+03 EK= 0.53928E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325480855412E+03 -0.12255E+01 -0.19101E-01 7740 0.247E+01 0.418E-01 RMM: 2 -0.325491873421E+03 -0.11018E-01 -0.10979E-01 4982 0.784E-01 0.818E-01 RMM: 3 -0.325487959125E+03 0.39143E-02 -0.12066E-02 5536 0.220E-01 0.367E-01 RMM: 4 -0.325489010102E+03 -0.10510E-02 -0.24979E-03 5242 0.125E-01 0.561E-01 RMM: 5 -0.325486933722E+03 0.20764E-02 -0.11825E-03 4610 0.920E-02 0.138E-01 RMM: 6 -0.325486864341E+03 0.69381E-04 -0.20867E-04 3896 0.367E-02 0.103E-01 RMM: 7 -0.325486868142E+03 -0.38013E-05 -0.87194E-05 3647 0.265E-02 1193 T= 6794. E= 0.68604367E+03 F= 0.62983554E+03 E0= 0.65847802E+03 EK= 0.56208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326672246587E+03 -0.11854E+01 -0.20313E-01 7620 0.250E+01 0.444E-01 RMM: 2 -0.326683711343E+03 -0.11465E-01 -0.12268E-01 4901 0.837E-01 0.765E-01 RMM: 3 -0.326680375000E+03 0.33363E-02 -0.14367E-02 5477 0.250E-01 0.390E-01 RMM: 4 -0.326681526334E+03 -0.11513E-02 -0.24179E-03 5207 0.119E-01 0.594E-01 RMM: 5 -0.326679153095E+03 0.23732E-02 -0.11563E-03 4610 0.891E-02 0.120E-01 RMM: 6 -0.326679200871E+03 -0.47775E-04 -0.26352E-04 3899 0.409E-02 0.155E-01 RMM: 7 -0.326679141475E+03 0.59396E-04 -0.10866E-04 3791 0.294E-02 0.123E-01 RMM: 8 -0.326679042149E+03 0.99326E-04 -0.64425E-05 3438 0.230E-02 0.347E-02 RMM: 9 -0.326679062480E+03 -0.20331E-04 -0.23449E-05 2684 0.140E-02 0.608E-02 RMM: 10 -0.326679050814E+03 0.11667E-04 -0.14516E-05 2519 0.127E-02 1194 T= 6942. E= 0.68648910E+03 F= 0.62905914E+03 E0= 0.65772063E+03 EK= 0.57430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327766118937E+03 -0.10871E+01 -0.20119E-01 7620 0.250E+01 0.396E-01 RMM: 2 -0.327777358622E+03 -0.11240E-01 -0.11809E-01 4849 0.811E-01 0.741E-01 RMM: 3 -0.327774066063E+03 0.32926E-02 -0.13326E-02 5544 0.233E-01 0.337E-01 RMM: 4 -0.327774992697E+03 -0.92663E-03 -0.20805E-03 5168 0.112E-01 0.535E-01 RMM: 5 -0.327773124382E+03 0.18683E-02 -0.94160E-04 4604 0.817E-02 0.131E-01 RMM: 6 -0.327773063951E+03 0.60431E-04 -0.22905E-04 3901 0.387E-02 0.991E-02 RMM: 7 -0.327773066521E+03 -0.25701E-05 -0.67227E-05 3468 0.243E-02 1195 T= 6894. E= 0.68541399E+03 F= 0.62838456E+03 E0= 0.65706461E+03 EK= 0.57029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328736045287E+03 -0.96298E+00 -0.18792E-01 7956 0.246E+01 0.444E-01 RMM: 2 -0.328743032023E+03 -0.69867E-02 -0.80382E-02 5024 0.697E-01 0.733E-01 RMM: 3 -0.328740222324E+03 0.28097E-02 -0.98103E-03 5415 0.220E-01 0.388E-01 RMM: 4 -0.328741524734E+03 -0.13024E-02 -0.23366E-03 5223 0.121E-01 0.604E-01 RMM: 5 -0.328739073089E+03 0.24516E-02 -0.12032E-03 4608 0.928E-02 0.138E-01 RMM: 6 -0.328739095010E+03 -0.21921E-04 -0.33266E-04 3967 0.467E-02 0.158E-01 RMM: 7 -0.328739036905E+03 0.58105E-04 -0.12317E-04 3845 0.329E-02 0.129E-01 RMM: 8 -0.328738931179E+03 0.10573E-03 -0.56564E-05 3374 0.219E-02 0.403E-02 RMM: 9 -0.328738949798E+03 -0.18619E-04 -0.26763E-05 2769 0.148E-02 1196 T= 6668. E= 0.68301136E+03 F= 0.62784707E+03 E0= 0.65654494E+03 EK= 0.55164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329570580061E+03 -0.83165E+00 -0.20357E-01 7656 0.241E+01 0.378E-01 RMM: 2 -0.329583399513E+03 -0.12819E-01 -0.12522E-01 4778 0.831E-01 0.768E-01 RMM: 3 -0.329579292808E+03 0.41067E-02 -0.14032E-02 5677 0.231E-01 0.318E-01 RMM: 4 -0.329580224603E+03 -0.93180E-03 -0.24879E-03 5287 0.130E-01 0.529E-01 RMM: 5 -0.329578427594E+03 0.17970E-02 -0.11324E-03 4607 0.909E-02 0.143E-01 RMM: 6 -0.329578388063E+03 0.39531E-04 -0.29605E-04 3936 0.449E-02 0.125E-01 RMM: 7 -0.329578365473E+03 0.22590E-04 -0.10007E-04 3728 0.301E-02 0.112E-01 RMM: 8 -0.329578283389E+03 0.82084E-04 -0.36883E-05 3081 0.188E-02 0.306E-02 RMM: 9 -0.329578288615E+03 -0.52258E-05 -0.12183E-05 2493 0.101E-02 1197 T= 6359. E= 0.68005410E+03 F= 0.62744912E+03 E0= 0.65616183E+03 EK= 0.52605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330305176094E+03 -0.72689E+00 -0.18042E-01 7956 0.236E+01 0.431E-01 RMM: 2 -0.330316504518E+03 -0.11328E-01 -0.78967E-02 4958 0.675E-01 0.107E+00 RMM: 3 -0.330308844630E+03 0.76599E-02 -0.94546E-03 5395 0.219E-01 0.298E-01 RMM: 4 -0.330310395887E+03 -0.15513E-02 -0.29259E-03 5319 0.138E-01 0.586E-01 RMM: 5 -0.330308293522E+03 0.21024E-02 -0.12771E-03 4615 0.982E-02 0.213E-01 RMM: 6 -0.330308072513E+03 0.22101E-03 -0.35271E-04 4081 0.482E-02 0.122E-01 RMM: 7 -0.330308072283E+03 0.22990E-06 -0.14306E-04 3860 0.362E-02 1198 T= 6078. E= 0.67746007E+03 F= 0.62717486E+03 E0= 0.65589978E+03 EK= 0.50285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330940705228E+03 -0.63263E+00 -0.17172E-01 7992 0.232E+01 0.459E-01 RMM: 2 -0.330947836171E+03 -0.71309E-02 -0.74753E-02 4952 0.654E-01 0.803E-01 RMM: 3 -0.330944167331E+03 0.36688E-02 -0.90701E-03 5421 0.208E-01 0.397E-01 RMM: 4 -0.330945549024E+03 -0.13817E-02 -0.31552E-03 5259 0.146E-01 0.630E-01 RMM: 5 -0.330942982339E+03 0.25667E-02 -0.16997E-03 4617 0.113E-01 0.151E-01 RMM: 6 -0.330943040298E+03 -0.57959E-04 -0.32349E-04 3943 0.467E-02 0.183E-01 RMM: 7 -0.330942901025E+03 0.13927E-03 -0.16997E-04 3877 0.398E-02 0.118E-01 RMM: 8 -0.330942819941E+03 0.81084E-04 -0.62283E-05 3418 0.232E-02 0.462E-02 RMM: 9 -0.330942851169E+03 -0.31228E-04 -0.31531E-05 2914 0.160E-02 0.755E-02 RMM: 10 -0.330942830116E+03 0.21053E-04 -0.22895E-05 2573 0.153E-02 0.299E-02 RMM: 11 -0.330942826525E+03 0.35906E-05 -0.60398E-06 2443 0.741E-03 1199 T= 5913. E= 0.67592646E+03 F= 0.62700726E+03 E0= 0.65573925E+03 EK= 0.48919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331477948308E+03 -0.53512E+00 -0.17574E-01 8076 0.231E+01 0.368E-01 RMM: 2 -0.331484999854E+03 -0.70515E-02 -0.80163E-02 4821 0.680E-01 0.642E-01 RMM: 3 -0.331482574042E+03 0.24258E-02 -0.91333E-03 5494 0.203E-01 0.338E-01 RMM: 4 -0.331483397524E+03 -0.82348E-03 -0.21358E-03 5219 0.119E-01 0.510E-01 RMM: 5 -0.331481731769E+03 0.16658E-02 -0.10647E-03 4611 0.894E-02 0.159E-01 RMM: 6 -0.331481614114E+03 0.11766E-03 -0.26474E-04 3930 0.424E-02 0.100E-01 RMM: 7 -0.331481610678E+03 0.34362E-05 -0.89491E-05 3732 0.291E-02 1200 T= 5906. E= 0.67580368E+03 F= 0.62694177E+03 E0= 0.65568080E+03 EK= 0.48862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331902975276E+03 -0.42136E+00 -0.16526E-01 8028 0.233E+01 0.477E-01 RMM: 2 -0.331907169053E+03 -0.41938E-02 -0.61780E-02 5201 0.594E-01 0.691E-01 RMM: 3 -0.331905111534E+03 0.20575E-02 -0.74200E-03 5393 0.197E-01 0.461E-01 RMM: 4 -0.331906216309E+03 -0.11048E-02 -0.24906E-03 5275 0.126E-01 0.636E-01 RMM: 5 -0.331903485964E+03 0.27303E-02 -0.14620E-03 4614 0.104E-01 0.123E-01 RMM: 6 -0.331903583409E+03 -0.97445E-04 -0.33011E-04 3975 0.467E-02 0.180E-01 RMM: 7 -0.331903434452E+03 0.14896E-03 -0.12776E-04 3869 0.342E-02 0.104E-01 RMM: 8 -0.331903369597E+03 0.64855E-04 -0.46245E-05 3233 0.196E-02 0.419E-02 RMM: 9 -0.331903395546E+03 -0.25949E-04 -0.28608E-05 2809 0.153E-02 0.689E-02 RMM: 10 -0.331903374638E+03 0.20908E-04 -0.19998E-05 2564 0.146E-02 0.257E-02 RMM: 11 -0.331903372099E+03 0.25393E-05 -0.40732E-06 2435 0.596E-03 1201 T= 6057. E= 0.67710441E+03 F= 0.62699267E+03 E0= 0.65573583E+03 EK= 0.50112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332172713688E+03 -0.26934E+00 -0.17147E-01 8148 0.238E+01 0.385E-01 RMM: 2 -0.332178909846E+03 -0.61962E-02 -0.71063E-02 5068 0.625E-01 0.685E-01 RMM: 3 -0.332176328281E+03 0.25816E-02 -0.78091E-03 5486 0.188E-01 0.361E-01 RMM: 4 -0.332177260206E+03 -0.93192E-03 -0.19671E-03 5042 0.112E-01 0.531E-01 RMM: 5 -0.332175421701E+03 0.18385E-02 -0.94532E-04 4605 0.835E-02 0.146E-01 RMM: 6 -0.332175324572E+03 0.97130E-04 -0.24760E-04 3907 0.406E-02 0.953E-02 RMM: 7 -0.332175320119E+03 0.44522E-05 -0.73075E-05 3572 0.263E-02 1202 T= 6325. E= 0.67950852E+03 F= 0.62718690E+03 E0= 0.65593636E+03 EK= 0.52322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332263438760E+03 -0.88114E-01 -0.18001E-01 8016 0.244E+01 0.470E-01 RMM: 2 -0.332270387389E+03 -0.69486E-02 -0.77940E-02 5075 0.674E-01 0.799E-01 RMM: 3 -0.332266924779E+03 0.34626E-02 -0.97643E-03 5391 0.222E-01 0.413E-01 RMM: 4 -0.332268557347E+03 -0.16326E-02 -0.25510E-03 5289 0.126E-01 0.659E-01 RMM: 5 -0.332265625378E+03 0.29320E-02 -0.13640E-03 4611 0.992E-02 0.119E-01 RMM: 6 -0.332265685703E+03 -0.60326E-04 -0.31319E-04 3914 0.451E-02 0.159E-01 RMM: 7 -0.332265602514E+03 0.83189E-04 -0.11378E-04 3864 0.315E-02 0.117E-01 RMM: 8 -0.332265514210E+03 0.88304E-04 -0.48005E-05 3267 0.199E-02 0.384E-02 RMM: 9 -0.332265536890E+03 -0.22681E-04 -0.27515E-05 2818 0.149E-02 0.654E-02 RMM: 10 -0.332265519637E+03 0.17253E-04 -0.18686E-05 2548 0.143E-02 1203 T= 6625. E= 0.68236209E+03 F= 0.62755335E+03 E0= 0.65631161E+03 EK= 0.54809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332159438844E+03 0.10610E+00 -0.19715E-01 7680 0.249E+01 0.378E-01 RMM: 2 -0.332168528017E+03 -0.90892E-02 -0.10348E-01 4982 0.753E-01 0.637E-01 RMM: 3 -0.332166109926E+03 0.24181E-02 -0.11252E-02 5562 0.212E-01 0.345E-01 RMM: 4 -0.332166728874E+03 -0.61895E-03 -0.18831E-03 5042 0.109E-01 0.491E-01 RMM: 5 -0.332165157347E+03 0.15715E-02 -0.81177E-04 4605 0.754E-02 0.127E-01 RMM: 6 -0.332165113405E+03 0.43943E-04 -0.21131E-04 3884 0.367E-02 0.106E-01 RMM: 7 -0.332165083199E+03 0.30206E-04 -0.73423E-05 3587 0.263E-02 0.858E-02 RMM: 8 -0.332165037756E+03 0.45443E-04 -0.22947E-05 2742 0.149E-02 0.292E-02 RMM: 9 -0.332165042513E+03 -0.47571E-05 -0.12146E-05 2484 0.975E-03 1204 T= 6852. E= 0.68478828E+03 F= 0.62810147E+03 E0= 0.65687278E+03 EK= 0.56687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331902889580E+03 0.26215E+00 -0.19137E-01 7752 0.251E+01 0.425E-01 RMM: 2 -0.331911143865E+03 -0.82543E-02 -0.89113E-02 5103 0.712E-01 0.749E-01 RMM: 3 -0.331907784581E+03 0.33593E-02 -0.10114E-02 5416 0.216E-01 0.349E-01 RMM: 4 -0.331908856908E+03 -0.10723E-02 -0.23008E-03 5266 0.120E-01 0.554E-01 RMM: 5 -0.331906868771E+03 0.19881E-02 -0.10463E-03 4608 0.870E-02 0.152E-01 RMM: 6 -0.331906786525E+03 0.82246E-04 -0.27628E-04 3918 0.427E-02 0.115E-01 RMM: 7 -0.331906788619E+03 -0.20938E-05 -0.11460E-04 3860 0.313E-02 1205 T= 6917. E= 0.68602087E+03 F= 0.62880201E+03 E0= 0.65759053E+03 EK= 0.57219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331567326578E+03 0.33946E+00 -0.18640E-01 7920 0.251E+01 0.439E-01 RMM: 2 -0.331575958564E+03 -0.86320E-02 -0.85009E-02 5172 0.710E-01 0.846E-01 RMM: 3 -0.331571631068E+03 0.43275E-02 -0.96913E-03 5386 0.219E-01 0.341E-01 RMM: 4 -0.331573244578E+03 -0.16135E-02 -0.25492E-03 5298 0.129E-01 0.611E-01 RMM: 5 -0.331570771521E+03 0.24731E-02 -0.12594E-03 4611 0.948E-02 0.155E-01 RMM: 6 -0.331570784484E+03 -0.12962E-04 -0.34803E-04 3931 0.480E-02 0.169E-01 RMM: 7 -0.331570684760E+03 0.99724E-04 -0.17308E-04 3884 0.400E-02 0.121E-01 RMM: 8 -0.331570600248E+03 0.84512E-04 -0.57850E-05 3376 0.225E-02 0.442E-02 RMM: 9 -0.331570623375E+03 -0.23127E-04 -0.29816E-05 2874 0.156E-02 0.685E-02 RMM: 10 -0.331570607171E+03 0.16204E-04 -0.22499E-05 2561 0.151E-02 1206 T= 6797. E= 0.68581036E+03 F= 0.62958036E+03 E0= 0.65839249E+03 EK= 0.56230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331263699022E+03 0.30692E+00 -0.18421E-01 7608 0.247E+01 0.353E-01 RMM: 2 -0.331274139562E+03 -0.10441E-01 -0.93779E-02 5025 0.743E-01 0.831E-01 RMM: 3 -0.331269632659E+03 0.45069E-02 -0.10213E-02 5522 0.208E-01 0.270E-01 RMM: 4 -0.331270416939E+03 -0.78428E-03 -0.20214E-03 5058 0.114E-01 0.461E-01 RMM: 5 -0.331269130386E+03 0.12866E-02 -0.10081E-03 4608 0.876E-02 0.190E-01 RMM: 6 -0.331268947017E+03 0.18337E-03 -0.35338E-04 3974 0.493E-02 0.106E-01 RMM: 7 -0.331268952581E+03 -0.55633E-05 -0.12816E-04 3876 0.347E-02 1207 T= 6555. E= 0.68455439E+03 F= 0.63032899E+03 E0= 0.65916889E+03 EK= 0.54225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331115740662E+03 0.15321E+00 -0.17848E-01 7908 0.242E+01 0.463E-01 RMM: 2 -0.331123909531E+03 -0.81689E-02 -0.80401E-02 5165 0.696E-01 0.878E-01 RMM: 3 -0.331119382531E+03 0.45270E-02 -0.91147E-03 5352 0.216E-01 0.379E-01 RMM: 4 -0.331121026291E+03 -0.16438E-02 -0.30901E-03 5287 0.143E-01 0.640E-01 RMM: 5 -0.331118368398E+03 0.26579E-02 -0.16759E-03 4641 0.112E-01 0.184E-01 RMM: 6 -0.331118292540E+03 0.75857E-04 -0.38946E-04 4117 0.511E-02 0.162E-01 RMM: 7 -0.331118244924E+03 0.47616E-04 -0.21979E-04 3880 0.446E-02 0.147E-01 RMM: 8 -0.331118114287E+03 0.13064E-03 -0.81975E-05 3595 0.270E-02 0.484E-02 RMM: 9 -0.331118136330E+03 -0.22043E-04 -0.34548E-05 2978 0.169E-02 0.717E-02 RMM: 10 -0.331118119710E+03 0.16620E-04 -0.24035E-05 2574 0.154E-02 1208 T= 6296. E= 0.68301849E+03 F= 0.63093446E+03 E0= 0.65980464E+03 EK= 0.52084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331205840793E+03 -0.87704E-01 -0.17973E-01 7824 0.238E+01 0.341E-01 RMM: 2 -0.331214470560E+03 -0.86298E-02 -0.85086E-02 5001 0.715E-01 0.725E-01 RMM: 3 -0.331211206292E+03 0.32643E-02 -0.91410E-03 5572 0.194E-01 0.278E-01 RMM: 4 -0.331211926124E+03 -0.71983E-03 -0.20756E-03 5105 0.120E-01 0.458E-01 RMM: 5 -0.331210687822E+03 0.12383E-02 -0.10302E-03 4612 0.877E-02 0.187E-01 RMM: 6 -0.331210539384E+03 0.14844E-03 -0.33142E-04 3945 0.478E-02 0.121E-01 RMM: 7 -0.331210533652E+03 0.57323E-05 -0.14054E-04 3869 0.364E-02 1209 T= 6119. E= 0.68192739E+03 F= 0.63130423E+03 E0= 0.66020619E+03 EK= 0.50623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331596555962E+03 -0.38602E+00 -0.17751E-01 7764 0.235E+01 0.482E-01 RMM: 2 -0.331603692344E+03 -0.71364E-02 -0.84072E-02 5051 0.708E-01 0.784E-01 RMM: 3 -0.331600358086E+03 0.33343E-02 -0.10561E-02 5345 0.233E-01 0.410E-01 RMM: 4 -0.331602162896E+03 -0.18048E-02 -0.30161E-03 5311 0.141E-01 0.681E-01 RMM: 5 -0.331599105684E+03 0.30572E-02 -0.14865E-03 4626 0.103E-01 0.144E-01 RMM: 6 -0.331599154457E+03 -0.48773E-04 -0.38026E-04 4157 0.496E-02 0.176E-01 RMM: 7 -0.331599006518E+03 0.14794E-03 -0.17202E-04 3881 0.394E-02 0.103E-01 RMM: 8 -0.331598951617E+03 0.54901E-04 -0.47591E-05 3230 0.206E-02 0.482E-02 RMM: 9 -0.331598981912E+03 -0.30295E-04 -0.31412E-05 2874 0.158E-02 0.779E-02 RMM: 10 -0.331598953895E+03 0.28016E-04 -0.24208E-05 2635 0.158E-02 0.223E-02 RMM: 11 -0.331598953306E+03 0.58909E-06 -0.48902E-06 2440 0.642E-03 1210 T= 6085. E= 0.68171865E+03 F= 0.63138269E+03 E0= 0.66031645E+03 EK= 0.50336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332287710148E+03 -0.68876E+00 -0.18430E-01 7584 0.236E+01 0.370E-01 RMM: 2 -0.332296894701E+03 -0.91846E-02 -0.95675E-02 4920 0.743E-01 0.727E-01 RMM: 3 -0.332293686554E+03 0.32081E-02 -0.10766E-02 5543 0.212E-01 0.320E-01 RMM: 4 -0.332294613636E+03 -0.92708E-03 -0.21585E-03 5164 0.118E-01 0.512E-01 RMM: 5 -0.332293012261E+03 0.16014E-02 -0.94786E-04 4624 0.826E-02 0.188E-01 RMM: 6 -0.332292809336E+03 0.20293E-03 -0.28444E-04 3933 0.438E-02 0.844E-02 RMM: 7 -0.332292812478E+03 -0.31420E-05 -0.90662E-05 3732 0.287E-02 1211 T= 6203. E= 0.68247270E+03 F= 0.63115611E+03 E0= 0.66011941E+03 EK= 0.51317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333257370482E+03 -0.96456E+00 -0.19064E-01 7848 0.238E+01 0.489E-01 RMM: 2 -0.333264821502E+03 -0.74510E-02 -0.78948E-02 5120 0.693E-01 0.872E-01 RMM: 3 -0.333260642034E+03 0.41795E-02 -0.10066E-02 5340 0.231E-01 0.427E-01 RMM: 4 -0.333262466440E+03 -0.18244E-02 -0.30163E-03 5273 0.136E-01 0.684E-01 RMM: 5 -0.333259367727E+03 0.30987E-02 -0.15341E-03 4618 0.105E-01 0.158E-01 RMM: 6 -0.333259308499E+03 0.59227E-04 -0.27421E-04 3902 0.420E-02 0.137E-01 RMM: 7 -0.333259302412E+03 0.60876E-05 -0.14253E-04 3888 0.336E-02 1212 T= 6438. E= 0.68390976E+03 F= 0.63065352E+03 E0= 0.65964333E+03 EK= 0.53256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334428867072E+03 -0.11696E+01 -0.19912E-01 7704 0.242E+01 0.444E-01 RMM: 2 -0.334438669295E+03 -0.98022E-02 -0.94979E-02 4999 0.749E-01 0.878E-01 RMM: 3 -0.334434109398E+03 0.45599E-02 -0.10650E-02 5429 0.224E-01 0.397E-01 RMM: 4 -0.334435398694E+03 -0.12893E-02 -0.30418E-03 5276 0.139E-01 0.600E-01 RMM: 5 -0.334433165529E+03 0.22332E-02 -0.13516E-03 4630 0.981E-02 0.196E-01 RMM: 6 -0.334432953436E+03 0.21209E-03 -0.28474E-04 3932 0.436E-02 0.985E-02 RMM: 7 -0.334433018298E+03 -0.64862E-04 -0.12305E-04 3879 0.312E-02 0.138E-01 RMM: 8 -0.334432903107E+03 0.11519E-03 -0.61061E-05 3426 0.230E-02 0.481E-02 RMM: 9 -0.334432902451E+03 0.65631E-06 -0.23550E-05 2681 0.140E-02 1213 T= 6706. E= 0.68541146E+03 F= 0.62993887E+03 E0= 0.65895278E+03 EK= 0.55473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335726239452E+03 -0.12933E+01 -0.19285E-01 7572 0.245E+01 0.443E-01 RMM: 2 -0.335737564934E+03 -0.11325E-01 -0.81560E-02 5170 0.703E-01 0.110E+00 RMM: 3 -0.335729682812E+03 0.78821E-02 -0.96362E-03 5343 0.224E-01 0.325E-01 RMM: 4 -0.335731571537E+03 -0.18887E-02 -0.27628E-03 5217 0.130E-01 0.637E-01 RMM: 5 -0.335728973814E+03 0.25977E-02 -0.11969E-03 4612 0.933E-02 0.149E-01 RMM: 6 -0.335728858774E+03 0.11504E-03 -0.19950E-04 3884 0.354E-02 0.863E-02 RMM: 7 -0.335728881424E+03 -0.22651E-04 -0.79754E-05 3581 0.244E-02 0.112E-01 RMM: 8 -0.335728801218E+03 0.80206E-04 -0.44206E-05 3194 0.204E-02 0.288E-02 RMM: 9 -0.335728806437E+03 -0.52189E-05 -0.13584E-05 2498 0.105E-02 1214 T= 6899. E= 0.68617060E+03 F= 0.62909851E+03 E0= 0.65813165E+03 EK= 0.57072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337058170403E+03 -0.13294E+01 -0.19403E-01 7572 0.246E+01 0.484E-01 RMM: 2 -0.337069501324E+03 -0.11331E-01 -0.86105E-02 5116 0.731E-01 0.112E+00 RMM: 3 -0.337061813436E+03 0.76879E-02 -0.11171E-02 5360 0.246E-01 0.386E-01 RMM: 4 -0.337063337249E+03 -0.15238E-02 -0.34378E-03 5308 0.146E-01 0.616E-01 RMM: 5 -0.337060909106E+03 0.24281E-02 -0.14513E-03 4616 0.103E-01 0.209E-01 RMM: 6 -0.337060668784E+03 0.24032E-03 -0.26385E-04 3920 0.414E-02 0.102E-01 RMM: 7 -0.337060729263E+03 -0.60479E-04 -0.13331E-04 3870 0.321E-02 0.143E-01 RMM: 8 -0.337060598618E+03 0.13064E-03 -0.67771E-05 3469 0.241E-02 0.381E-02 RMM: 9 -0.337060609265E+03 -0.10647E-04 -0.24986E-05 2753 0.144E-02 1215 T= 6929. E= 0.68554676E+03 F= 0.62822314E+03 E0= 0.65727183E+03 EK= 0.57324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338357618767E+03 -0.12970E+01 -0.19299E-01 7716 0.243E+01 0.455E-01 RMM: 2 -0.338367786539E+03 -0.10168E-01 -0.80386E-02 5094 0.698E-01 0.102E+00 RMM: 3 -0.338361103281E+03 0.66833E-02 -0.95508E-03 5370 0.220E-01 0.343E-01 RMM: 4 -0.338363020010E+03 -0.19167E-02 -0.30364E-03 5281 0.138E-01 0.651E-01 RMM: 5 -0.338360274440E+03 0.27456E-02 -0.14513E-03 4614 0.104E-01 0.148E-01 RMM: 6 -0.338360214587E+03 0.59853E-04 -0.24908E-04 3900 0.401E-02 0.123E-01 RMM: 7 -0.338360214801E+03 -0.21360E-06 -0.11102E-04 3852 0.300E-02 1216 T= 6778. E= 0.68345522E+03 F= 0.62738652E+03 E0= 0.65644789E+03 EK= 0.56069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339586568790E+03 -0.12264E+01 -0.18259E-01 7704 0.239E+01 0.489E-01 RMM: 2 -0.339596073730E+03 -0.95049E-02 -0.78422E-02 5039 0.700E-01 0.103E+00 RMM: 3 -0.339589648268E+03 0.64255E-02 -0.10218E-02 5351 0.235E-01 0.395E-01 RMM: 4 -0.339591290208E+03 -0.16419E-02 -0.34831E-03 5292 0.148E-01 0.648E-01 RMM: 5 -0.339588696135E+03 0.25941E-02 -0.17455E-03 4651 0.114E-01 0.224E-01 RMM: 6 -0.339588456566E+03 0.23957E-03 -0.36825E-04 4050 0.497E-02 0.135E-01 RMM: 7 -0.339588491203E+03 -0.34637E-04 -0.19982E-04 3893 0.402E-02 0.154E-01 RMM: 8 -0.339588343776E+03 0.14743E-03 -0.10607E-04 3787 0.304E-02 0.509E-02 RMM: 9 -0.339588350882E+03 -0.71060E-05 -0.25551E-05 2759 0.149E-02 1217 T= 6505. E= 0.68044505E+03 F= 0.62663305E+03 E0= 0.65570642E+03 EK= 0.53812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340724782593E+03 -0.11364E+01 -0.17205E-01 7716 0.233E+01 0.432E-01 RMM: 2 -0.340737127431E+03 -0.12345E-01 -0.75242E-02 4979 0.665E-01 0.119E+00 RMM: 3 -0.340727855166E+03 0.92723E-02 -0.93949E-03 5365 0.221E-01 0.298E-01 RMM: 4 -0.340729711567E+03 -0.18564E-02 -0.30664E-03 5280 0.140E-01 0.625E-01 RMM: 5 -0.340727213522E+03 0.24980E-02 -0.14076E-03 4616 0.103E-01 0.145E-01 RMM: 6 -0.340727168569E+03 0.44953E-04 -0.24764E-04 3893 0.407E-02 0.128E-01 RMM: 7 -0.340727130485E+03 0.38084E-04 -0.10600E-04 3823 0.307E-02 0.108E-01 RMM: 8 -0.340727055758E+03 0.74726E-04 -0.43691E-05 3197 0.201E-02 0.316E-02 RMM: 9 -0.340727061465E+03 -0.57063E-05 -0.12422E-05 2494 0.103E-02 1218 T= 6214. E= 0.67738748E+03 F= 0.62598338E+03 E0= 0.65506797E+03 EK= 0.51404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341766403709E+03 -0.10393E+01 -0.15611E-01 7800 0.229E+01 0.494E-01 RMM: 2 -0.341778078720E+03 -0.11675E-01 -0.64254E-02 5092 0.641E-01 0.127E+00 RMM: 3 -0.341767901009E+03 0.10178E-01 -0.10067E-02 5349 0.242E-01 0.375E-01 RMM: 4 -0.341769499373E+03 -0.15984E-02 -0.36479E-03 5304 0.152E-01 0.628E-01 RMM: 5 -0.341767165931E+03 0.23334E-02 -0.16745E-03 4647 0.112E-01 0.259E-01 RMM: 6 -0.341766784809E+03 0.38112E-03 -0.39873E-04 4160 0.524E-02 0.121E-01 RMM: 7 -0.341766847877E+03 -0.63068E-04 -0.18754E-04 3887 0.387E-02 0.158E-01 RMM: 8 -0.341766689959E+03 0.15792E-03 -0.93918E-05 3683 0.290E-02 0.501E-02 RMM: 9 -0.341766689037E+03 0.92248E-06 -0.25698E-05 2805 0.151E-02 1219 T= 5999. E= 0.67507121E+03 F= 0.62544627E+03 E0= 0.65454297E+03 EK= 0.49625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342690782532E+03 -0.92409E+00 -0.15221E-01 7800 0.226E+01 0.473E-01 RMM: 2 -0.342701020273E+03 -0.10238E-01 -0.60842E-02 5022 0.604E-01 0.117E+00 RMM: 3 -0.342692230831E+03 0.87894E-02 -0.83381E-03 5351 0.215E-01 0.335E-01 RMM: 4 -0.342694025836E+03 -0.17950E-02 -0.33921E-03 5263 0.148E-01 0.638E-01 RMM: 5 -0.342691461637E+03 0.25642E-02 -0.16161E-03 4622 0.111E-01 0.172E-01 RMM: 6 -0.342691376231E+03 0.85406E-04 -0.27873E-04 3930 0.431E-02 0.138E-01 RMM: 7 -0.342691330252E+03 0.45979E-04 -0.12441E-04 3843 0.339E-02 0.115E-01 RMM: 8 -0.342691250249E+03 0.80004E-04 -0.47233E-05 3236 0.208E-02 0.373E-02 RMM: 9 -0.342691276667E+03 -0.26419E-04 -0.23123E-05 2617 0.137E-02 0.685E-02 RMM: 10 -0.342691257966E+03 0.18702E-04 -0.17012E-05 2523 0.133E-02 1220 T= 5917. E= 0.67398667E+03 F= 0.62503326E+03 E0= 0.65414300E+03 EK= 0.48953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343472196774E+03 -0.78092E+00 -0.15136E-01 7812 0.227E+01 0.474E-01 RMM: 2 -0.343484623097E+03 -0.12426E-01 -0.63558E-02 5056 0.630E-01 0.129E+00 RMM: 3 -0.343473657793E+03 0.10965E-01 -0.91315E-03 5354 0.227E-01 0.329E-01 RMM: 4 -0.343475448547E+03 -0.17908E-02 -0.37091E-03 5272 0.154E-01 0.625E-01 RMM: 5 -0.343472898679E+03 0.25499E-02 -0.15987E-03 4621 0.110E-01 0.170E-01 RMM: 6 -0.343472788286E+03 0.11039E-03 -0.29130E-04 3973 0.437E-02 0.125E-01 RMM: 7 -0.343472777834E+03 0.10452E-04 -0.11245E-04 3838 0.312E-02 1221 T= 5987. E= 0.67429352E+03 F= 0.62476565E+03 E0= 0.65388954E+03 EK= 0.49528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344068901494E+03 -0.59611E+00 -0.14970E-01 8028 0.230E+01 0.511E-01 RMM: 2 -0.344073807678E+03 -0.49062E-02 -0.58489E-02 5146 0.606E-01 0.857E-01 RMM: 3 -0.344070340207E+03 0.34675E-02 -0.75299E-03 5385 0.201E-01 0.476E-01 RMM: 4 -0.344071788193E+03 -0.14480E-02 -0.33524E-03 5229 0.148E-01 0.677E-01 RMM: 5 -0.344068769760E+03 0.30184E-02 -0.17744E-03 4623 0.114E-01 0.167E-01 RMM: 6 -0.344068715447E+03 0.54313E-04 -0.34984E-04 4045 0.480E-02 0.151E-01 RMM: 7 -0.344068690660E+03 0.24788E-04 -0.12948E-04 3870 0.329E-02 0.141E-01 RMM: 8 -0.344068565533E+03 0.12513E-03 -0.67106E-05 3492 0.238E-02 0.452E-02 RMM: 9 -0.344068588988E+03 -0.23455E-04 -0.38339E-05 3054 0.174E-02 0.694E-02 RMM: 10 -0.344068570763E+03 0.18225E-04 -0.23383E-05 2690 0.161E-02 1222 T= 6184. E= 0.67584102E+03 F= 0.62467929E+03 E0= 0.65381877E+03 EK= 0.51162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344427714344E+03 -0.35913E+00 -0.16040E-01 7740 0.235E+01 0.421E-01 RMM: 2 -0.344435455249E+03 -0.77409E-02 -0.83482E-02 4865 0.701E-01 0.779E-01 RMM: 3 -0.344432054396E+03 0.34009E-02 -0.10032E-02 5462 0.214E-01 0.370E-01 RMM: 4 -0.344432994178E+03 -0.93978E-03 -0.23629E-03 5232 0.123E-01 0.545E-01 RMM: 5 -0.344431013712E+03 0.19805E-02 -0.10526E-03 4608 0.874E-02 0.128E-01 RMM: 6 -0.344430968356E+03 0.45356E-04 -0.22468E-04 3897 0.381E-02 0.107E-01 RMM: 7 -0.344430961555E+03 0.68007E-05 -0.67628E-05 3500 0.243E-02 1223 T= 6450. E= 0.67817300E+03 F= 0.62481709E+03 E0= 0.65397221E+03 EK= 0.53356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344520675312E+03 -0.89707E-01 -0.16446E-01 7836 0.240E+01 0.494E-01 RMM: 2 -0.344526580990E+03 -0.59057E-02 -0.69815E-02 5088 0.661E-01 0.822E-01 RMM: 3 -0.344523340942E+03 0.32400E-02 -0.84541E-03 5416 0.209E-01 0.456E-01 RMM: 4 -0.344524649969E+03 -0.13090E-02 -0.31392E-03 5280 0.142E-01 0.651E-01 RMM: 5 -0.344521763860E+03 0.28861E-02 -0.16621E-03 4620 0.110E-01 0.131E-01 RMM: 6 -0.344521826191E+03 -0.62331E-04 -0.31743E-04 4010 0.454E-02 0.172E-01 RMM: 7 -0.344521730111E+03 0.96079E-04 -0.11787E-04 3857 0.309E-02 0.130E-01 RMM: 8 -0.344521624945E+03 0.10517E-03 -0.62113E-05 3448 0.224E-02 0.406E-02 RMM: 9 -0.344521650364E+03 -0.25419E-04 -0.33169E-05 2977 0.163E-02 0.704E-02 RMM: 10 -0.344521626924E+03 0.23440E-04 -0.21765E-05 2631 0.155E-02 0.191E-02 RMM: 11 -0.344521626385E+03 0.53866E-06 -0.36718E-06 2432 0.564E-03 1224 T= 6693. E= 0.68058209E+03 F= 0.62521584E+03 E0= 0.65438707E+03 EK= 0.55366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344328931575E+03 0.19270E+00 -0.17546E-01 7752 0.244E+01 0.410E-01 RMM: 2 -0.344336238222E+03 -0.73066E-02 -0.92043E-02 4810 0.736E-01 0.619E-01 RMM: 3 -0.344334617854E+03 0.16204E-02 -0.10903E-02 5462 0.224E-01 0.423E-01 RMM: 4 -0.344335161703E+03 -0.54385E-03 -0.21039E-03 5237 0.115E-01 0.539E-01 RMM: 5 -0.344333285694E+03 0.18760E-02 -0.10280E-03 4611 0.853E-02 0.137E-01 RMM: 6 -0.344333236497E+03 0.49196E-04 -0.25262E-04 3904 0.406E-02 0.113E-01 RMM: 7 -0.344333206860E+03 0.29638E-04 -0.76544E-05 3588 0.265E-02 0.961E-02 RMM: 8 -0.344333147357E+03 0.59503E-04 -0.24024E-05 2708 0.151E-02 0.249E-02 RMM: 9 -0.344333158160E+03 -0.10803E-04 -0.15674E-05 2498 0.110E-02 1225 T= 6821. E= 0.68231579E+03 F= 0.62588486E+03 E0= 0.65507229E+03 EK= 0.56431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343899931147E+03 0.43322E+00 -0.17193E-01 7656 0.244E+01 0.435E-01 RMM: 2 -0.343906772959E+03 -0.68418E-02 -0.73996E-02 5082 0.662E-01 0.772E-01 RMM: 3 -0.343903442286E+03 0.33307E-02 -0.81719E-03 5408 0.201E-01 0.374E-01 RMM: 4 -0.343904696247E+03 -0.12540E-02 -0.25256E-03 5252 0.130E-01 0.590E-01 RMM: 5 -0.343902341517E+03 0.23547E-02 -0.12546E-03 4611 0.956E-02 0.119E-01 RMM: 6 -0.343902423141E+03 -0.81623E-04 -0.30265E-04 3929 0.449E-02 0.169E-01 RMM: 7 -0.343902311652E+03 0.11149E-03 -0.11358E-04 3825 0.320E-02 0.115E-01 RMM: 8 -0.343902231447E+03 0.80204E-04 -0.46355E-05 3237 0.197E-02 0.366E-02 RMM: 9 -0.343902253106E+03 -0.21658E-04 -0.24555E-05 2682 0.143E-02 0.640E-02 RMM: 10 -0.343902237079E+03 0.16027E-04 -0.16400E-05 2518 0.129E-02 1226 T= 6786. E= 0.68292604E+03 F= 0.62679161E+03 E0= 0.65599456E+03 EK= 0.56134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343307844435E+03 0.59441E+00 -0.17045E-01 7500 0.243E+01 0.405E-01 RMM: 2 -0.343314417299E+03 -0.65729E-02 -0.78180E-02 5064 0.685E-01 0.671E-01 RMM: 3 -0.343312012674E+03 0.24046E-02 -0.85540E-03 5442 0.202E-01 0.348E-01 RMM: 4 -0.343313017128E+03 -0.10045E-02 -0.22155E-03 5201 0.122E-01 0.552E-01 RMM: 5 -0.343311007866E+03 0.20093E-02 -0.11865E-03 4609 0.930E-02 0.125E-01 RMM: 6 -0.343311120174E+03 -0.11231E-03 -0.33295E-04 3962 0.474E-02 0.187E-01 RMM: 7 -0.343310955590E+03 0.16458E-03 -0.13812E-04 3867 0.357E-02 0.103E-01 RMM: 8 -0.343310891305E+03 0.64285E-04 -0.33414E-05 3006 0.173E-02 0.349E-02 RMM: 9 -0.343310908602E+03 -0.17297E-04 -0.23069E-05 2587 0.137E-02 1227 T= 6607. E= 0.68251418E+03 F= 0.62785869E+03 E0= 0.65707625E+03 EK= 0.54655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342665861985E+03 0.64503E+00 -0.16739E-01 7548 0.239E+01 0.411E-01 RMM: 2 -0.342673661403E+03 -0.77994E-02 -0.80612E-02 5076 0.695E-01 0.771E-01 RMM: 3 -0.342670118023E+03 0.35434E-02 -0.90167E-03 5425 0.207E-01 0.323E-01 RMM: 4 -0.342671373782E+03 -0.12558E-02 -0.23595E-03 5232 0.126E-01 0.565E-01 RMM: 5 -0.342669289871E+03 0.20839E-02 -0.11894E-03 4613 0.935E-02 0.150E-01 RMM: 6 -0.342669289721E+03 0.14936E-06 -0.38953E-04 4143 0.514E-02 0.158E-01 RMM: 7 -0.342669177090E+03 0.11263E-03 -0.14913E-04 3879 0.372E-02 0.988E-02 RMM: 8 -0.342669121598E+03 0.55492E-04 -0.29752E-05 2950 0.168E-02 0.367E-02 RMM: 9 -0.342669141928E+03 -0.20330E-04 -0.23392E-05 2608 0.137E-02 0.619E-02 RMM: 10 -0.342669125527E+03 0.16402E-04 -0.18018E-05 2520 0.133E-02 1228 T= 6366. E= 0.68164414E+03 F= 0.62897937E+03 E0= 0.65820868E+03 EK= 0.52665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342085241981E+03 0.58390E+00 -0.16099E-01 7440 0.236E+01 0.404E-01 RMM: 2 -0.342094255798E+03 -0.90138E-02 -0.86201E-02 4996 0.718E-01 0.822E-01 RMM: 3 -0.342090094905E+03 0.41609E-02 -0.97399E-03 5472 0.210E-01 0.309E-01 RMM: 4 -0.342091194463E+03 -0.10996E-02 -0.26744E-03 5253 0.135E-01 0.542E-01 RMM: 5 -0.342089276746E+03 0.19177E-02 -0.14130E-03 4625 0.103E-01 0.146E-01 RMM: 6 -0.342089381539E+03 -0.10479E-03 -0.34664E-04 3990 0.486E-02 0.198E-01 RMM: 7 -0.342089202077E+03 0.17946E-03 -0.16617E-04 3875 0.393E-02 0.117E-01 RMM: 8 -0.342089117424E+03 0.84653E-04 -0.51429E-05 3317 0.210E-02 0.375E-02 RMM: 9 -0.342089134691E+03 -0.17267E-04 -0.24797E-05 2650 0.145E-02 1229 T= 6161. E= 0.68101298E+03 F= 0.63004199E+03 E0= 0.65928018E+03 EK= 0.50971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341656492944E+03 0.43262E+00 -0.15994E-01 7608 0.233E+01 0.422E-01 RMM: 2 -0.341666078543E+03 -0.95856E-02 -0.83108E-02 5033 0.705E-01 0.919E-01 RMM: 3 -0.341660781749E+03 0.52968E-02 -0.96544E-03 5404 0.216E-01 0.305E-01 RMM: 4 -0.341662198415E+03 -0.14167E-02 -0.25653E-03 5262 0.128E-01 0.569E-01 RMM: 5 -0.341660101541E+03 0.20969E-02 -0.12902E-03 4614 0.980E-02 0.177E-01 RMM: 6 -0.341659991963E+03 0.10958E-03 -0.38517E-04 4110 0.510E-02 0.132E-01 RMM: 7 -0.341659990988E+03 0.97513E-06 -0.12837E-04 3860 0.341E-02 1230 T= 6068. E= 0.68115373E+03 F= 0.63095521E+03 E0= 0.66019811E+03 EK= 0.50199E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341431075866E+03 0.22892E+00 -0.16000E-01 7608 0.233E+01 0.470E-01 RMM: 2 -0.341440100081E+03 -0.90242E-02 -0.84008E-02 4967 0.715E-01 0.920E-01 RMM: 3 -0.341435197907E+03 0.49022E-02 -0.10076E-02 5386 0.222E-01 0.395E-01 RMM: 4 -0.341436895668E+03 -0.16978E-02 -0.34220E-03 5225 0.150E-01 0.659E-01 RMM: 5 -0.341434059196E+03 0.28365E-02 -0.17341E-03 4633 0.112E-01 0.153E-01 RMM: 6 -0.341434110607E+03 -0.51411E-04 -0.34502E-04 4043 0.475E-02 0.185E-01 RMM: 7 -0.341433974570E+03 0.13604E-03 -0.17696E-04 3879 0.395E-02 0.125E-01 RMM: 8 -0.341433883973E+03 0.90597E-04 -0.71018E-05 3494 0.245E-02 0.441E-02 RMM: 9 -0.341433923078E+03 -0.39105E-04 -0.33468E-05 2914 0.166E-02 0.817E-02 RMM: 10 -0.341433893137E+03 0.29941E-04 -0.20411E-05 2555 0.146E-02 0.302E-02 RMM: 11 -0.341433889422E+03 0.37149E-05 -0.58609E-06 2441 0.715E-03 1231 T= 6121. E= 0.68229885E+03 F= 0.63166264E+03 E0= 0.66090483E+03 EK= 0.50636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341421268424E+03 0.12625E-01 -0.16186E-01 7632 0.235E+01 0.372E-01 RMM: 2 -0.341428707147E+03 -0.74387E-02 -0.80397E-02 4992 0.688E-01 0.705E-01 RMM: 3 -0.341425860992E+03 0.28462E-02 -0.89037E-03 5414 0.201E-01 0.317E-01 RMM: 4 -0.341426831915E+03 -0.97092E-03 -0.18450E-03 5025 0.109E-01 0.512E-01 RMM: 5 -0.341425104622E+03 0.17273E-02 -0.83456E-04 4608 0.773E-02 0.126E-01 RMM: 6 -0.341425055435E+03 0.49186E-04 -0.22761E-04 3905 0.387E-02 0.100E-01 RMM: 7 -0.341425029280E+03 0.26155E-04 -0.67826E-05 3504 0.253E-02 0.869E-02 RMM: 8 -0.341424980261E+03 0.49020E-04 -0.21046E-05 2634 0.144E-02 0.213E-02 RMM: 9 -0.341424984213E+03 -0.39526E-05 -0.97306E-06 2459 0.863E-03 1232 T= 6310. E= 0.68434420E+03 F= 0.63214572E+03 E0= 0.66138434E+03 EK= 0.52198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341609187718E+03 -0.18421E+00 -0.16587E-01 7776 0.239E+01 0.448E-01 RMM: 2 -0.341615832304E+03 -0.66446E-02 -0.78131E-02 5073 0.685E-01 0.739E-01 RMM: 3 -0.341613068974E+03 0.27633E-02 -0.86641E-03 5354 0.206E-01 0.399E-01 RMM: 4 -0.341614224764E+03 -0.11558E-02 -0.22353E-03 5142 0.117E-01 0.597E-01 RMM: 5 -0.341611855280E+03 0.23695E-02 -0.11894E-03 4609 0.920E-02 0.127E-01 RMM: 6 -0.341611849259E+03 0.60205E-05 -0.25949E-04 3913 0.409E-02 0.131E-01 RMM: 7 -0.341611827740E+03 0.21519E-04 -0.90733E-05 3686 0.278E-02 0.123E-01 RMM: 8 -0.341611730770E+03 0.96971E-04 -0.46766E-05 3229 0.200E-02 0.333E-02 RMM: 9 -0.341611750706E+03 -0.19937E-04 -0.25656E-05 2770 0.143E-02 1233 T= 6577. E= 0.68683507E+03 F= 0.63242332E+03 E0= 0.66165569E+03 EK= 0.54412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341941950108E+03 -0.33022E+00 -0.16805E-01 7992 0.244E+01 0.429E-01 RMM: 2 -0.341949468241E+03 -0.75181E-02 -0.86298E-02 5016 0.720E-01 0.735E-01 RMM: 3 -0.341946702655E+03 0.27656E-02 -0.96623E-03 5353 0.215E-01 0.385E-01 RMM: 4 -0.341947658625E+03 -0.95597E-03 -0.21228E-03 5135 0.114E-01 0.556E-01 RMM: 5 -0.341945618016E+03 0.20406E-02 -0.10426E-03 4612 0.860E-02 0.122E-01 RMM: 6 -0.341945600366E+03 0.17650E-04 -0.22506E-04 3898 0.377E-02 0.117E-01 RMM: 7 -0.341945547859E+03 0.52507E-04 -0.75648E-05 3577 0.260E-02 0.823E-02 RMM: 8 -0.341945508866E+03 0.38993E-04 -0.25189E-05 2773 0.153E-02 0.328E-02 RMM: 9 -0.341945524730E+03 -0.15864E-04 -0.18383E-05 2529 0.119E-02 1234 T= 6827. E= 0.68901986E+03 F= 0.63254432E+03 E0= 0.66177053E+03 EK= 0.56476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342364916026E+03 -0.41941E+00 -0.16753E-01 7860 0.247E+01 0.433E-01 RMM: 2 -0.342372325892E+03 -0.74099E-02 -0.83736E-02 5085 0.711E-01 0.751E-01 RMM: 3 -0.342369390143E+03 0.29357E-02 -0.94098E-03 5352 0.215E-01 0.394E-01 RMM: 4 -0.342370452966E+03 -0.10628E-02 -0.21816E-03 5155 0.116E-01 0.575E-01 RMM: 5 -0.342368254635E+03 0.21983E-02 -0.10603E-03 4610 0.867E-02 0.122E-01 RMM: 6 -0.342368227752E+03 0.26883E-04 -0.22648E-04 3896 0.378E-02 0.115E-01 RMM: 7 -0.342368192996E+03 0.34755E-04 -0.77653E-05 3602 0.261E-02 0.969E-02 RMM: 8 -0.342368135153E+03 0.57844E-04 -0.29181E-05 2899 0.164E-02 0.328E-02 RMM: 9 -0.342368148789E+03 -0.13636E-04 -0.19796E-05 2532 0.124E-02 1235 T= 6953. E= 0.69009231E+03 F= 0.63257019E+03 E0= 0.66179312E+03 EK= 0.57522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342828549560E+03 -0.46041E+00 -0.17045E-01 7872 0.247E+01 0.425E-01 RMM: 2 -0.342835711328E+03 -0.71618E-02 -0.78637E-02 4996 0.694E-01 0.757E-01 RMM: 3 -0.342832647600E+03 0.30637E-02 -0.89684E-03 5353 0.210E-01 0.376E-01 RMM: 4 -0.342833837052E+03 -0.11895E-02 -0.23275E-03 5208 0.122E-01 0.578E-01 RMM: 5 -0.342831626133E+03 0.22109E-02 -0.11353E-03 4610 0.905E-02 0.128E-01 RMM: 6 -0.342831600959E+03 0.25174E-04 -0.22662E-04 3897 0.381E-02 0.121E-01 RMM: 7 -0.342831573476E+03 0.27483E-04 -0.86505E-05 3695 0.274E-02 0.108E-01 RMM: 8 -0.342831500023E+03 0.73453E-04 -0.36716E-05 3082 0.183E-02 0.315E-02 RMM: 9 -0.342831515842E+03 -0.15818E-04 -0.20635E-05 2562 0.127E-02 1236 T= 6896. E= 0.68960665E+03 F= 0.63255443E+03 E0= 0.66177956E+03 EK= 0.57052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343311353706E+03 -0.47985E+00 -0.17146E-01 7596 0.243E+01 0.421E-01 RMM: 2 -0.343319585639E+03 -0.82319E-02 -0.72244E-02 5002 0.674E-01 0.893E-01 RMM: 3 -0.343314692946E+03 0.48927E-02 -0.86725E-03 5359 0.210E-01 0.316E-01 RMM: 4 -0.343316082239E+03 -0.13893E-02 -0.25990E-03 5273 0.130E-01 0.571E-01 RMM: 5 -0.343313963800E+03 0.21184E-02 -0.12420E-03 4608 0.961E-02 0.152E-01 RMM: 6 -0.343313894431E+03 0.69369E-04 -0.24350E-04 3917 0.401E-02 0.121E-01 RMM: 7 -0.343313887328E+03 0.71036E-05 -0.10073E-04 3814 0.299E-02 1237 T= 6678. E= 0.68776900E+03 F= 0.63252452E+03 E0= 0.66175823E+03 EK= 0.55244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343819571236E+03 -0.50568E+00 -0.16412E-01 7800 0.238E+01 0.452E-01 RMM: 2 -0.343826769907E+03 -0.71987E-02 -0.70891E-02 4989 0.668E-01 0.849E-01 RMM: 3 -0.343822747415E+03 0.40225E-02 -0.86930E-03 5344 0.212E-01 0.384E-01 RMM: 4 -0.343824410439E+03 -0.16630E-02 -0.29590E-03 5191 0.139E-01 0.648E-01 RMM: 5 -0.343821640338E+03 0.27701E-02 -0.16374E-03 4628 0.110E-01 0.126E-01 RMM: 6 -0.343821753678E+03 -0.11334E-03 -0.32946E-04 3961 0.467E-02 0.189E-01 RMM: 7 -0.343821579931E+03 0.17375E-03 -0.15854E-04 3872 0.384E-02 0.105E-01 RMM: 8 -0.343821518115E+03 0.61816E-04 -0.51236E-05 3286 0.209E-02 0.425E-02 RMM: 9 -0.343821552619E+03 -0.34504E-04 -0.29965E-05 2820 0.156E-02 0.756E-02 RMM: 10 -0.343821524609E+03 0.28010E-04 -0.22459E-05 2595 0.153E-02 0.179E-02 RMM: 11 -0.343821524883E+03 -0.27333E-06 -0.40027E-06 2429 0.592E-03 1238 T= 6387. E= 0.68531907E+03 F= 0.63247837E+03 E0= 0.66172674E+03 EK= 0.52841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344371708199E+03 -0.55018E+00 -0.15752E-01 7980 0.233E+01 0.375E-01 RMM: 2 -0.344378106406E+03 -0.63982E-02 -0.66621E-02 4928 0.644E-01 0.725E-01 RMM: 3 -0.344375061396E+03 0.30450E-02 -0.77342E-03 5371 0.195E-01 0.313E-01 RMM: 4 -0.344376074679E+03 -0.10133E-02 -0.23037E-03 5204 0.124E-01 0.519E-01 RMM: 5 -0.344374364322E+03 0.17104E-02 -0.12015E-03 4618 0.951E-02 0.169E-01 RMM: 6 -0.344374245958E+03 0.11836E-03 -0.29534E-04 3951 0.450E-02 0.111E-01 RMM: 7 -0.344374200099E+03 0.45859E-04 -0.10195E-04 3837 0.322E-02 0.815E-02 RMM: 8 -0.344374158208E+03 0.41891E-04 -0.18099E-05 2579 0.135E-02 0.260E-02 RMM: 9 -0.344374162743E+03 -0.45346E-05 -0.10412E-05 2465 0.921E-03 1239 T= 6132. E= 0.68312316E+03 F= 0.63239740E+03 E0= 0.66166525E+03 EK= 0.50726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344989981155E+03 -0.61582E+00 -0.15576E-01 7848 0.229E+01 0.423E-01 RMM: 2 -0.344995833624E+03 -0.58525E-02 -0.67894E-02 5060 0.628E-01 0.703E-01 RMM: 3 -0.344993219822E+03 0.26138E-02 -0.75130E-03 5376 0.188E-01 0.373E-01 RMM: 4 -0.344994569368E+03 -0.13495E-02 -0.24341E-03 5135 0.128E-01 0.605E-01 RMM: 5 -0.344992150303E+03 0.24191E-02 -0.12958E-03 4609 0.974E-02 0.120E-01 RMM: 6 -0.344992212285E+03 -0.61982E-04 -0.29736E-04 3934 0.446E-02 0.163E-01 RMM: 7 -0.344992095102E+03 0.11718E-03 -0.12925E-04 3853 0.351E-02 0.998E-02 RMM: 8 -0.344992036467E+03 0.58635E-04 -0.37796E-05 3080 0.185E-02 0.363E-02 RMM: 9 -0.344992062726E+03 -0.26259E-04 -0.24876E-05 2649 0.142E-02 0.663E-02 RMM: 10 -0.344992042956E+03 0.19770E-04 -0.17491E-05 2529 0.135E-02 1240 T= 5992. E= 0.68183066E+03 F= 0.63225909E+03 E0= 0.66154751E+03 EK= 0.49572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345681136449E+03 -0.68907E+00 -0.15585E-01 7668 0.228E+01 0.401E-01 RMM: 2 -0.345685078377E+03 -0.39419E-02 -0.60069E-02 5118 0.602E-01 0.559E-01 RMM: 3 -0.345683988763E+03 0.10896E-02 -0.67938E-03 5361 0.185E-01 0.407E-01 RMM: 4 -0.345684711020E+03 -0.72226E-03 -0.19583E-03 4939 0.115E-01 0.547E-01 RMM: 5 -0.345682755287E+03 0.19557E-02 -0.10229E-03 4606 0.856E-02 0.110E-01 RMM: 6 -0.345682848549E+03 -0.93263E-04 -0.27780E-04 3915 0.428E-02 0.169E-01 RMM: 7 -0.345682681202E+03 0.16735E-03 -0.12098E-04 3837 0.345E-02 0.627E-02 RMM: 8 -0.345682663793E+03 0.17409E-04 -0.20559E-05 2601 0.137E-02 1241 T= 6007. E= 0.68174912E+03 F= 0.63205098E+03 E0= 0.66135990E+03 EK= 0.49698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346432963139E+03 -0.75028E+00 -0.16201E-01 7752 0.229E+01 0.476E-01 RMM: 2 -0.346444199470E+03 -0.11236E-01 -0.69482E-02 5131 0.637E-01 0.118E+00 RMM: 3 -0.346435484709E+03 0.87148E-02 -0.97249E-03 5343 0.230E-01 0.375E-01 RMM: 4 -0.346437047095E+03 -0.15624E-02 -0.32546E-03 5259 0.140E-01 0.618E-01 RMM: 5 -0.346434747136E+03 0.23000E-02 -0.14170E-03 4614 0.102E-01 0.243E-01 RMM: 6 -0.346434387483E+03 0.35965E-03 -0.36137E-04 4075 0.497E-02 0.877E-02 RMM: 7 -0.346434469304E+03 -0.81821E-04 -0.11251E-04 3838 0.298E-02 0.145E-01 RMM: 8 -0.346434337432E+03 0.13187E-03 -0.52519E-05 3341 0.220E-02 0.374E-02 RMM: 9 -0.346434351563E+03 -0.14131E-04 -0.26079E-05 2796 0.145E-02 1242 T= 6172. E= 0.68284070E+03 F= 0.63177893E+03 E0= 0.66110351E+03 EK= 0.51062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347217180306E+03 -0.78284E+00 -0.17022E-01 7644 0.233E+01 0.441E-01 RMM: 2 -0.347228470038E+03 -0.11290E-01 -0.61847E-02 5249 0.613E-01 0.122E+00 RMM: 3 -0.347219038796E+03 0.94312E-02 -0.86921E-03 5341 0.223E-01 0.309E-01 RMM: 4 -0.347220801809E+03 -0.17630E-02 -0.26735E-03 5078 0.125E-01 0.614E-01 RMM: 5 -0.347218362515E+03 0.24393E-02 -0.12441E-03 4613 0.968E-02 0.143E-01 RMM: 6 -0.347218295219E+03 0.67296E-04 -0.23436E-04 3881 0.391E-02 0.111E-01 RMM: 7 -0.347218290230E+03 0.49896E-05 -0.80225E-05 3627 0.267E-02 1243 T= 6438. E= 0.68472484E+03 F= 0.63146720E+03 E0= 0.66080144E+03 EK= 0.53258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347991971864E+03 -0.77368E+00 -0.18104E-01 7668 0.238E+01 0.483E-01 RMM: 2 -0.348000962490E+03 -0.89906E-02 -0.73246E-02 5216 0.664E-01 0.102E+00 RMM: 3 -0.347994803913E+03 0.61586E-02 -0.91141E-03 5353 0.221E-01 0.401E-01 RMM: 4 -0.347996593122E+03 -0.17892E-02 -0.31245E-03 5174 0.138E-01 0.666E-01 RMM: 5 -0.347993798320E+03 0.27948E-02 -0.14622E-03 4608 0.102E-01 0.204E-01 RMM: 6 -0.347993579238E+03 0.21908E-03 -0.33621E-04 4001 0.468E-02 0.107E-01 RMM: 7 -0.347993551170E+03 0.28067E-04 -0.92459E-05 3784 0.285E-02 0.919E-02 RMM: 8 -0.347993505068E+03 0.46102E-04 -0.37038E-05 3095 0.181E-02 0.407E-02 RMM: 9 -0.347993532827E+03 -0.27759E-04 -0.24936E-05 2638 0.141E-02 0.718E-02 RMM: 10 -0.347993507366E+03 0.25461E-04 -0.18792E-05 2538 0.143E-02 0.163E-02 RMM: 11 -0.347993507398E+03 -0.31738E-07 -0.31188E-06 2423 0.524E-03 1244 T= 6715. E= 0.68670419E+03 F= 0.63115507E+03 E0= 0.66049340E+03 EK= 0.55549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348714649228E+03 -0.72114E+00 -0.18492E-01 7776 0.242E+01 0.403E-01 RMM: 2 -0.348720733376E+03 -0.60841E-02 -0.69715E-02 5215 0.644E-01 0.729E-01 RMM: 3 -0.348718050605E+03 0.26828E-02 -0.76768E-03 5377 0.194E-01 0.382E-01 RMM: 4 -0.348719014909E+03 -0.96430E-03 -0.20934E-03 4972 0.115E-01 0.544E-01 RMM: 5 -0.348717045251E+03 0.19697E-02 -0.99969E-04 4604 0.845E-02 0.132E-01 RMM: 6 -0.348716971738E+03 0.73513E-04 -0.19715E-04 3887 0.356E-02 0.919E-02 RMM: 7 -0.348716971502E+03 0.23576E-06 -0.60736E-05 3440 0.230E-02 1245 T= 6896. E= 0.68793647E+03 F= 0.63088731E+03 E0= 0.66022365E+03 EK= 0.57049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349353841670E+03 -0.63687E+00 -0.18857E-01 7836 0.243E+01 0.461E-01 RMM: 2 -0.349360741820E+03 -0.69002E-02 -0.82328E-02 5156 0.697E-01 0.742E-01 RMM: 3 -0.349358154392E+03 0.25874E-02 -0.94697E-03 5392 0.212E-01 0.422E-01 RMM: 4 -0.349359627786E+03 -0.14734E-02 -0.25035E-03 5199 0.125E-01 0.653E-01 RMM: 5 -0.349356813549E+03 0.28142E-02 -0.13459E-03 4613 0.976E-02 0.135E-01 RMM: 6 -0.349356832784E+03 -0.19235E-04 -0.32730E-04 3967 0.460E-02 0.155E-01 RMM: 7 -0.349356738059E+03 0.94726E-04 -0.11568E-04 3857 0.321E-02 0.104E-01 RMM: 8 -0.349356674915E+03 0.63143E-04 -0.38042E-05 3118 0.181E-02 0.390E-02 RMM: 9 -0.349356705077E+03 -0.30162E-04 -0.29126E-05 2835 0.151E-02 0.734E-02 RMM: 10 -0.349356678719E+03 0.26358E-04 -0.21180E-05 2566 0.151E-02 0.184E-02 RMM: 11 -0.349356678172E+03 0.54670E-06 -0.35035E-06 2425 0.547E-03 1246 T= 6903. E= 0.68780783E+03 F= 0.63070031E+03 E0= 0.66003306E+03 EK= 0.57108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349894087038E+03 -0.53741E+00 -0.19891E-01 7656 0.242E+01 0.390E-01 RMM: 2 -0.349902867423E+03 -0.87804E-02 -0.99316E-02 4930 0.753E-01 0.671E-01 RMM: 3 -0.349900421572E+03 0.24459E-02 -0.10990E-02 5541 0.210E-01 0.356E-01 RMM: 4 -0.349901297903E+03 -0.87633E-03 -0.23105E-03 5126 0.123E-01 0.534E-01 RMM: 5 -0.349899424554E+03 0.18733E-02 -0.11145E-03 4610 0.895E-02 0.130E-01 RMM: 6 -0.349899387459E+03 0.37096E-04 -0.24498E-04 3901 0.399E-02 0.115E-01 RMM: 7 -0.349899330656E+03 0.56802E-04 -0.74974E-05 3609 0.274E-02 0.746E-02 RMM: 8 -0.349899297087E+03 0.33570E-04 -0.18646E-05 2572 0.132E-02 0.271E-02 RMM: 9 -0.349899307186E+03 -0.10099E-04 -0.13541E-05 2477 0.105E-02 1247 T= 6731. E= 0.68629953E+03 F= 0.63061281E+03 E0= 0.65994366E+03 EK= 0.55687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350351483807E+03 -0.45219E+00 -0.18149E-01 7692 0.238E+01 0.413E-01 RMM: 2 -0.350357864028E+03 -0.63802E-02 -0.73438E-02 5063 0.656E-01 0.692E-01 RMM: 3 -0.350355304230E+03 0.25598E-02 -0.79059E-03 5415 0.192E-01 0.371E-01 RMM: 4 -0.350356363095E+03 -0.10589E-02 -0.25600E-03 5117 0.132E-01 0.566E-01 RMM: 5 -0.350354297679E+03 0.20654E-02 -0.12380E-03 4607 0.946E-02 0.135E-01 RMM: 6 -0.350354296385E+03 0.12939E-05 -0.26454E-04 3901 0.417E-02 0.143E-01 RMM: 7 -0.350354225958E+03 0.70427E-04 -0.12108E-04 3854 0.338E-02 0.106E-01 RMM: 8 -0.350354157010E+03 0.68948E-04 -0.43288E-05 3208 0.197E-02 0.351E-02 RMM: 9 -0.350354181882E+03 -0.24872E-04 -0.23579E-05 2614 0.139E-02 0.656E-02 RMM: 10 -0.350354162219E+03 0.19663E-04 -0.16192E-05 2517 0.129E-02 1248 T= 6453. E= 0.68400376E+03 F= 0.63061995E+03 E0= 0.65995462E+03 EK= 0.53384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350739058870E+03 -0.38488E+00 -0.17044E-01 7752 0.234E+01 0.392E-01 RMM: 2 -0.350744223622E+03 -0.51648E-02 -0.67390E-02 5069 0.639E-01 0.603E-01 RMM: 3 -0.350742553369E+03 0.16703E-02 -0.74158E-03 5424 0.189E-01 0.373E-01 RMM: 4 -0.350743566347E+03 -0.10130E-02 -0.22123E-03 5076 0.123E-01 0.560E-01 RMM: 5 -0.350741514142E+03 0.20522E-02 -0.12336E-03 4609 0.950E-02 0.119E-01 RMM: 6 -0.350741585195E+03 -0.71052E-04 -0.29235E-04 3905 0.443E-02 0.167E-01 RMM: 7 -0.350741431961E+03 0.15323E-03 -0.13782E-04 3848 0.369E-02 0.748E-02 RMM: 8 -0.350741402878E+03 0.29082E-04 -0.24329E-05 2722 0.152E-02 0.369E-02 RMM: 9 -0.350741419041E+03 -0.16163E-04 -0.20250E-05 2541 0.130E-02 1249 T= 6174. E= 0.68177920E+03 F= 0.63070334E+03 E0= 0.66005051E+03 EK= 0.51076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351079201721E+03 -0.33780E+00 -0.16227E-01 7872 0.230E+01 0.406E-01 RMM: 2 -0.351084666556E+03 -0.54648E-02 -0.62795E-02 5079 0.616E-01 0.694E-01 RMM: 3 -0.351082081865E+03 0.25847E-02 -0.68827E-03 5412 0.182E-01 0.357E-01 RMM: 4 -0.351083224306E+03 -0.11424E-02 -0.25148E-03 5062 0.131E-01 0.568E-01 RMM: 5 -0.351081141589E+03 0.20827E-02 -0.12961E-03 4610 0.978E-02 0.137E-01 RMM: 6 -0.351081132614E+03 0.89744E-05 -0.29481E-04 3941 0.445E-02 0.142E-01 RMM: 7 -0.351081041966E+03 0.90648E-04 -0.12497E-04 3843 0.351E-02 0.864E-02 RMM: 8 -0.351081000733E+03 0.41233E-04 -0.26978E-05 2840 0.161E-02 0.372E-02 RMM: 9 -0.351081020494E+03 -0.19761E-04 -0.20365E-05 2549 0.129E-02 1250 T= 5986. E= 0.68036298E+03 F= 0.63084133E+03 E0= 0.66020939E+03 EK= 0.49522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351382495395E+03 -0.30149E+00 -0.15940E-01 7644 0.229E+01 0.400E-01 RMM: 2 -0.351387309406E+03 -0.48140E-02 -0.62887E-02 5104 0.604E-01 0.615E-01 RMM: 3 -0.351385564438E+03 0.17450E-02 -0.67097E-03 5463 0.176E-01 0.391E-01 RMM: 4 -0.351386214895E+03 -0.65046E-03 -0.23133E-03 5046 0.127E-01 0.523E-01 RMM: 5 -0.351384452157E+03 0.17627E-02 -0.10916E-03 4609 0.890E-02 0.126E-01 RMM: 6 -0.351384467637E+03 -0.15480E-04 -0.23930E-04 3906 0.396E-02 0.143E-01 RMM: 7 -0.351384375400E+03 0.92237E-04 -0.11570E-04 3858 0.335E-02 0.889E-02 RMM: 8 -0.351384329450E+03 0.45950E-04 -0.31578E-05 2968 0.172E-02 0.331E-02 RMM: 9 -0.351384347882E+03 -0.18432E-04 -0.20440E-05 2538 0.130E-02 1251 T= 5943. E= 0.68018237E+03 F= 0.63101782E+03 E0= 0.66041472E+03 EK= 0.49165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351647676954E+03 -0.26335E+00 -0.16071E-01 7932 0.231E+01 0.408E-01 RMM: 2 -0.351653705775E+03 -0.60288E-02 -0.67763E-02 5012 0.633E-01 0.711E-01 RMM: 3 -0.351651007736E+03 0.26980E-02 -0.77700E-03 5437 0.190E-01 0.362E-01 RMM: 4 -0.351652138060E+03 -0.11303E-02 -0.24109E-03 5080 0.125E-01 0.567E-01 RMM: 5 -0.351650026939E+03 0.21111E-02 -0.12235E-03 4609 0.944E-02 0.124E-01 RMM: 6 -0.351650026691E+03 0.24734E-06 -0.24434E-04 3904 0.399E-02 0.133E-01 RMM: 7 -0.351649957871E+03 0.68820E-04 -0.97052E-05 3799 0.305E-02 0.896E-02 RMM: 8 -0.351649909799E+03 0.48072E-04 -0.26661E-05 2838 0.158E-02 0.332E-02 RMM: 9 -0.351649926623E+03 -0.16824E-04 -0.19106E-05 2538 0.124E-02 1252 T= 6056. E= 0.68133015E+03 F= 0.63122807E+03 E0= 0.66066047E+03 EK= 0.50102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351862307867E+03 -0.21240E+00 -0.17604E-01 7692 0.235E+01 0.411E-01 RMM: 2 -0.351870546362E+03 -0.82385E-02 -0.89149E-02 4882 0.718E-01 0.728E-01 RMM: 3 -0.351867654163E+03 0.28922E-02 -0.10409E-02 5537 0.211E-01 0.376E-01 RMM: 4 -0.351868626715E+03 -0.97255E-03 -0.23872E-03 5203 0.123E-01 0.556E-01 RMM: 5 -0.351866613083E+03 0.20136E-02 -0.11482E-03 4617 0.912E-02 0.130E-01 RMM: 6 -0.351866564706E+03 0.48377E-04 -0.20303E-04 3881 0.358E-02 0.108E-01 RMM: 7 -0.351866549419E+03 0.15288E-04 -0.84650E-05 3688 0.271E-02 1253 T= 6297. E= 0.68356747E+03 F= 0.63147777E+03 E0= 0.66094912E+03 EK= 0.52090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352018620389E+03 -0.15206E+00 -0.18120E-01 7812 0.240E+01 0.446E-01 RMM: 2 -0.352024541053E+03 -0.59207E-02 -0.74523E-02 5090 0.659E-01 0.680E-01 RMM: 3 -0.352022542900E+03 0.19982E-02 -0.84238E-03 5417 0.201E-01 0.443E-01 RMM: 4 -0.352023630444E+03 -0.10875E-02 -0.24503E-03 5078 0.123E-01 0.620E-01 RMM: 5 -0.352021054493E+03 0.25760E-02 -0.14025E-03 4611 0.998E-02 0.911E-02 RMM: 6 -0.352021204203E+03 -0.14971E-03 -0.25651E-04 3903 0.405E-02 0.181E-01 RMM: 7 -0.352021030602E+03 0.17360E-03 -0.10556E-04 3846 0.304E-02 0.889E-02 RMM: 8 -0.352020986591E+03 0.44011E-04 -0.37594E-05 3073 0.176E-02 0.382E-02 RMM: 9 -0.352021012472E+03 -0.25881E-04 -0.23458E-05 2602 0.138E-02 0.661E-02 RMM: 10 -0.352020990470E+03 0.22002E-04 -0.16843E-05 2527 0.133E-02 0.155E-02 RMM: 11 -0.352020990434E+03 0.36642E-07 -0.26842E-06 2422 0.471E-03 1254 T= 6592. E= 0.68631402E+03 F= 0.63177710E+03 E0= 0.66128995E+03 EK= 0.54537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352103322967E+03 -0.82332E-01 -0.19311E-01 7872 0.245E+01 0.367E-01 RMM: 2 -0.352111183626E+03 -0.78607E-02 -0.87490E-02 5008 0.706E-01 0.654E-01 RMM: 3 -0.352108846093E+03 0.23375E-02 -0.93759E-03 5527 0.200E-01 0.351E-01 RMM: 4 -0.352109596962E+03 -0.75087E-03 -0.18148E-03 5021 0.106E-01 0.507E-01 RMM: 5 -0.352107922247E+03 0.16747E-02 -0.87436E-04 4612 0.793E-02 0.109E-01 RMM: 6 -0.352107883660E+03 0.38586E-04 -0.17210E-04 3882 0.329E-02 0.889E-02 RMM: 7 -0.352107852490E+03 0.31170E-04 -0.52659E-05 3326 0.221E-02 0.687E-02 RMM: 8 -0.352107823825E+03 0.28665E-04 -0.16615E-05 2543 0.126E-02 0.209E-02 RMM: 9 -0.352107829933E+03 -0.61083E-05 -0.95202E-06 2458 0.843E-03 1255 T= 6841. E= 0.68872636E+03 F= 0.63213190E+03 E0= 0.66168544E+03 EK= 0.56594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352139147614E+03 -0.31324E-01 -0.18973E-01 7860 0.247E+01 0.405E-01 RMM: 2 -0.352144986261E+03 -0.58386E-02 -0.73007E-02 5177 0.642E-01 0.624E-01 RMM: 3 -0.352143250419E+03 0.17358E-02 -0.72550E-03 5432 0.184E-01 0.412E-01 RMM: 4 -0.352143989558E+03 -0.73914E-03 -0.20172E-03 4922 0.113E-01 0.548E-01 RMM: 5 -0.352142006744E+03 0.19828E-02 -0.11050E-03 4608 0.882E-02 0.105E-01 RMM: 6 -0.352142048173E+03 -0.41429E-04 -0.22654E-04 3890 0.382E-02 0.139E-01 RMM: 7 -0.352141977717E+03 0.70456E-04 -0.86370E-05 3665 0.278E-02 0.967E-02 RMM: 8 -0.352141920467E+03 0.57250E-04 -0.28921E-05 2872 0.162E-02 0.310E-02 RMM: 9 -0.352141940047E+03 -0.19581E-04 -0.20023E-05 2562 0.125E-02 1256 T= 6945. E= 0.68998465E+03 F= 0.63253083E+03 E0= 0.66212214E+03 EK= 0.57454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352160778893E+03 -0.18858E-01 -0.18864E-01 7584 0.247E+01 0.371E-01 RMM: 2 -0.352167289796E+03 -0.65109E-02 -0.76660E-02 5088 0.656E-01 0.601E-01 RMM: 3 -0.352165414795E+03 0.18750E-02 -0.77355E-03 5440 0.186E-01 0.357E-01 RMM: 4 -0.352166173523E+03 -0.75873E-03 -0.18745E-03 5001 0.111E-01 0.512E-01 RMM: 5 -0.352164458448E+03 0.17151E-02 -0.97256E-04 4609 0.838E-02 0.110E-01 RMM: 6 -0.352164490317E+03 -0.31869E-04 -0.19809E-04 3886 0.359E-02 0.134E-01 RMM: 7 -0.352164419401E+03 0.70916E-04 -0.94287E-05 3831 0.293E-02 0.913E-02 RMM: 8 -0.352164369875E+03 0.49525E-04 -0.28315E-05 2923 0.161E-02 0.297E-02 RMM: 9 -0.352164384870E+03 -0.14994E-04 -0.16802E-05 2510 0.115E-02 1257 T= 6862. E= 0.68970927E+03 F= 0.63293820E+03 E0= 0.66256307E+03 EK= 0.56771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352229662865E+03 -0.65293E-01 -0.18176E-01 7296 0.243E+01 0.371E-01 RMM: 2 -0.352237243167E+03 -0.75803E-02 -0.77318E-02 5079 0.665E-01 0.707E-01 RMM: 3 -0.352234207578E+03 0.30356E-02 -0.78273E-03 5428 0.187E-01 0.310E-01 RMM: 4 -0.352235204627E+03 -0.99705E-03 -0.21805E-03 5061 0.121E-01 0.520E-01 RMM: 5 -0.352233479766E+03 0.17249E-02 -0.10818E-03 4612 0.891E-02 0.141E-01 RMM: 6 -0.352233463184E+03 0.16581E-04 -0.26912E-04 3917 0.426E-02 0.138E-01 RMM: 7 -0.352233415664E+03 0.47520E-04 -0.11662E-04 3864 0.334E-02 0.111E-01 RMM: 8 -0.352233339560E+03 0.76104E-04 -0.32256E-05 3002 0.173E-02 0.330E-02 RMM: 9 -0.352233349841E+03 -0.10281E-04 -0.17320E-05 2525 0.117E-02 1258 T= 6634. E= 0.68818426E+03 F= 0.63330111E+03 E0= 0.66295482E+03 EK= 0.54883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352406749479E+03 -0.17341E+00 -0.17241E-01 7644 0.238E+01 0.365E-01 RMM: 2 -0.352414272169E+03 -0.75227E-02 -0.75246E-02 5065 0.648E-01 0.701E-01 RMM: 3 -0.352411203709E+03 0.30685E-02 -0.76448E-03 5426 0.183E-01 0.303E-01 RMM: 4 -0.352412140096E+03 -0.93639E-03 -0.21730E-03 5057 0.123E-01 0.509E-01 RMM: 5 -0.352410526922E+03 0.16132E-02 -0.99263E-04 4608 0.852E-02 0.145E-01 RMM: 6 -0.352410499209E+03 0.27714E-04 -0.24331E-04 3901 0.402E-02 0.137E-01 RMM: 7 -0.352410439250E+03 0.59959E-04 -0.14269E-04 3862 0.367E-02 0.103E-01 RMM: 8 -0.352410375340E+03 0.63910E-04 -0.40461E-05 3143 0.195E-02 0.332E-02 RMM: 9 -0.352410389180E+03 -0.13841E-04 -0.19103E-05 2529 0.128E-02 1259 T= 6358. E= 0.68615997E+03 F= 0.63356154E+03 E0= 0.66323973E+03 EK= 0.52598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352739225624E+03 -0.32885E+00 -0.16211E-01 7704 0.233E+01 0.370E-01 RMM: 2 -0.352746913614E+03 -0.76880E-02 -0.66964E-02 5113 0.623E-01 0.813E-01 RMM: 3 -0.352742746596E+03 0.41670E-02 -0.68970E-03 5375 0.179E-01 0.278E-01 RMM: 4 -0.352743897937E+03 -0.11513E-02 -0.24081E-03 5071 0.129E-01 0.523E-01 RMM: 5 -0.352742204227E+03 0.16937E-02 -0.10716E-03 4611 0.887E-02 0.155E-01 RMM: 6 -0.352742149410E+03 0.54816E-04 -0.27803E-04 3937 0.432E-02 0.134E-01 RMM: 7 -0.352742108733E+03 0.40678E-04 -0.14712E-04 3862 0.378E-02 0.114E-01 RMM: 8 -0.352742029563E+03 0.79170E-04 -0.39653E-05 3133 0.193E-02 0.343E-02 RMM: 9 -0.352742041435E+03 -0.11873E-04 -0.16886E-05 2527 0.119E-02 1260 T= 6137. E= 0.68443975E+03 F= 0.63367356E+03 E0= 0.66337296E+03 EK= 0.50766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353247050729E+03 -0.50502E+00 -0.15232E-01 7776 0.229E+01 0.382E-01 RMM: 2 -0.353253676159E+03 -0.66254E-02 -0.60502E-02 5158 0.586E-01 0.787E-01 RMM: 3 -0.353249888785E+03 0.37874E-02 -0.61564E-03 5359 0.173E-01 0.307E-01 RMM: 4 -0.353251107911E+03 -0.12191E-02 -0.23337E-03 5017 0.125E-01 0.544E-01 RMM: 5 -0.353249319667E+03 0.17882E-02 -0.11044E-03 4610 0.903E-02 0.184E-01 RMM: 6 -0.353249145035E+03 0.17463E-03 -0.26031E-04 3925 0.418E-02 0.979E-02 RMM: 7 -0.353249173789E+03 -0.28754E-04 -0.12745E-04 3858 0.340E-02 0.122E-01 RMM: 8 -0.353249080387E+03 0.93403E-04 -0.47070E-05 3238 0.211E-02 0.325E-02 RMM: 9 -0.353249092602E+03 -0.12216E-04 -0.18539E-05 2540 0.125E-02 1261 T= 6040. E= 0.68358106E+03 F= 0.63361406E+03 E0= 0.66333205E+03 EK= 0.49967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353924000889E+03 -0.67492E+00 -0.14572E-01 7920 0.228E+01 0.384E-01 RMM: 2 -0.353929950474E+03 -0.59496E-02 -0.54995E-02 5274 0.561E-01 0.786E-01 RMM: 3 -0.353926200283E+03 0.37502E-02 -0.54489E-03 5361 0.165E-01 0.296E-01 RMM: 4 -0.353927372765E+03 -0.11725E-02 -0.22031E-03 4954 0.121E-01 0.531E-01 RMM: 5 -0.353925564893E+03 0.18079E-02 -0.10156E-03 4611 0.861E-02 0.129E-01 RMM: 6 -0.353925536076E+03 0.28817E-04 -0.19858E-04 3888 0.358E-02 0.119E-01 RMM: 7 -0.353925509143E+03 0.26933E-04 -0.10164E-04 3838 0.304E-02 0.105E-01 RMM: 8 -0.353925440760E+03 0.68383E-04 -0.35956E-05 3070 0.184E-02 0.307E-02 RMM: 9 -0.353925451549E+03 -0.10789E-04 -0.14237E-05 2506 0.107E-02 1262 T= 6094. E= 0.68379998E+03 F= 0.63338485E+03 E0= 0.66311971E+03 EK= 0.50415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354740431612E+03 -0.81499E+00 -0.14612E-01 7848 0.230E+01 0.402E-01 RMM: 2 -0.354746684472E+03 -0.62529E-02 -0.58097E-02 5301 0.570E-01 0.815E-01 RMM: 3 -0.354742805379E+03 0.38791E-02 -0.61498E-03 5371 0.177E-01 0.350E-01 RMM: 4 -0.354744063799E+03 -0.12584E-02 -0.22872E-03 4989 0.120E-01 0.566E-01 RMM: 5 -0.354742085710E+03 0.19781E-02 -0.10680E-03 4608 0.875E-02 0.187E-01 RMM: 6 -0.354741885469E+03 0.20024E-03 -0.23625E-04 3916 0.397E-02 0.820E-02 RMM: 7 -0.354741944705E+03 -0.59236E-04 -0.96658E-05 3804 0.277E-02 0.126E-01 RMM: 8 -0.354741841432E+03 0.10327E-03 -0.46562E-05 3231 0.209E-02 0.310E-02 RMM: 9 -0.354741850461E+03 -0.90287E-05 -0.16824E-05 2526 0.116E-02 1263 T= 6281. E= 0.68497003E+03 F= 0.63301072E+03 E0= 0.66276184E+03 EK= 0.51959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355650264098E+03 -0.90842E+00 -0.15153E-01 7920 0.233E+01 0.400E-01 RMM: 2 -0.355657312202E+03 -0.70481E-02 -0.62369E-02 5315 0.579E-01 0.835E-01 RMM: 3 -0.355653024521E+03 0.42877E-02 -0.62182E-03 5381 0.176E-01 0.335E-01 RMM: 4 -0.355654219429E+03 -0.11949E-02 -0.22494E-03 4882 0.121E-01 0.551E-01 RMM: 5 -0.355652250295E+03 0.19691E-02 -0.99404E-04 4608 0.834E-02 0.121E-01 RMM: 6 -0.355652220200E+03 0.30095E-04 -0.18263E-04 3875 0.338E-02 0.109E-01 RMM: 7 -0.355652194735E+03 0.25465E-04 -0.77517E-05 3644 0.257E-02 0.951E-02 RMM: 8 -0.355652139153E+03 0.55582E-04 -0.34064E-05 3026 0.177E-02 0.271E-02 RMM: 9 -0.355652154059E+03 -0.14906E-04 -0.15385E-05 2510 0.110E-02 1264 T= 6539. E= 0.68663262E+03 F= 0.63253488E+03 E0= 0.66230295E+03 EK= 0.54098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356597798276E+03 -0.94566E+00 -0.15395E-01 8040 0.236E+01 0.414E-01 RMM: 2 -0.356606892355E+03 -0.90941E-02 -0.70074E-02 5313 0.627E-01 0.984E-01 RMM: 3 -0.356600944997E+03 0.59474E-02 -0.73726E-03 5385 0.192E-01 0.326E-01 RMM: 4 -0.356602348532E+03 -0.14035E-02 -0.25889E-03 4966 0.126E-01 0.573E-01 RMM: 5 -0.356600297035E+03 0.20515E-02 -0.11162E-03 4608 0.887E-02 0.173E-01 RMM: 6 -0.356600128224E+03 0.16881E-03 -0.22065E-04 3889 0.382E-02 0.810E-02 RMM: 7 -0.356600186115E+03 -0.57892E-04 -0.86828E-05 3724 0.256E-02 0.126E-01 RMM: 8 -0.356600085955E+03 0.10016E-03 -0.43739E-05 3177 0.202E-02 0.330E-02 RMM: 9 -0.356600091019E+03 -0.50642E-05 -0.16020E-05 2509 0.112E-02 1265 T= 6776. E= 0.68806629E+03 F= 0.63201339E+03 E0= 0.66180094E+03 EK= 0.56053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357526021454E+03 -0.92594E+00 -0.15616E-01 7980 0.238E+01 0.403E-01 RMM: 2 -0.357534055219E+03 -0.80338E-02 -0.67003E-02 5353 0.597E-01 0.892E-01 RMM: 3 -0.357529003838E+03 0.50514E-02 -0.64762E-03 5365 0.181E-01 0.312E-01 RMM: 4 -0.357530359479E+03 -0.13556E-02 -0.22436E-03 4922 0.119E-01 0.559E-01 RMM: 5 -0.357528378969E+03 0.19805E-02 -0.94234E-04 4604 0.814E-02 0.148E-01 RMM: 6 -0.357528278571E+03 0.10040E-03 -0.19680E-04 3889 0.353E-02 0.956E-02 RMM: 7 -0.357528298569E+03 -0.19999E-04 -0.94945E-05 3766 0.274E-02 1266 T= 6893. E= 0.68852675E+03 F= 0.63150615E+03 E0= 0.66131672E+03 EK= 0.57021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358390316314E+03 -0.86204E+00 -0.15610E-01 7824 0.237E+01 0.419E-01 RMM: 2 -0.358398207462E+03 -0.78911E-02 -0.70728E-02 5304 0.614E-01 0.857E-01 RMM: 3 -0.358393706836E+03 0.45006E-02 -0.70338E-03 5386 0.188E-01 0.362E-01 RMM: 4 -0.358395164884E+03 -0.14580E-02 -0.26784E-03 4970 0.129E-01 0.609E-01 RMM: 5 -0.358392851190E+03 0.23137E-02 -0.13433E-03 4602 0.983E-02 0.150E-01 RMM: 6 -0.358392773317E+03 0.77872E-04 -0.21900E-04 3888 0.373E-02 0.113E-01 RMM: 7 -0.358392781088E+03 -0.77705E-05 -0.11876E-04 3878 0.314E-02 1267 T= 6837. E= 0.68762135E+03 F= 0.63106154E+03 E0= 0.66090056E+03 EK= 0.56560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359162623696E+03 -0.76985E+00 -0.16224E-01 8184 0.234E+01 0.406E-01 RMM: 2 -0.359172307013E+03 -0.96833E-02 -0.74424E-02 5199 0.636E-01 0.963E-01 RMM: 3 -0.359166231537E+03 0.60755E-02 -0.79207E-03 5389 0.202E-01 0.318E-01 RMM: 4 -0.359167619765E+03 -0.13882E-02 -0.25304E-03 5212 0.126E-01 0.567E-01 RMM: 5 -0.359165685073E+03 0.19347E-02 -0.11790E-03 4611 0.923E-02 0.206E-01 RMM: 6 -0.359165446377E+03 0.23870E-03 -0.31540E-04 3948 0.463E-02 0.924E-02 RMM: 7 -0.359165523150E+03 -0.76773E-04 -0.13102E-04 3862 0.328E-02 0.143E-01 RMM: 8 -0.359165399395E+03 0.12376E-03 -0.53132E-05 3350 0.222E-02 0.393E-02 RMM: 9 -0.359165403759E+03 -0.43645E-05 -0.17837E-05 2531 0.120E-02 1268 T= 6630. E= 0.68555896E+03 F= 0.63071236E+03 E0= 0.66058547E+03 EK= 0.54847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359833233605E+03 -0.66783E+00 -0.16071E-01 8208 0.230E+01 0.358E-01 RMM: 2 -0.359843981377E+03 -0.10748E-01 -0.71697E-02 5183 0.605E-01 0.102E+00 RMM: 3 -0.359836903330E+03 0.70780E-02 -0.70830E-03 5377 0.191E-01 0.255E-01 RMM: 4 -0.359838333836E+03 -0.14305E-02 -0.21521E-03 4997 0.116E-01 0.557E-01 RMM: 5 -0.359836476487E+03 0.18573E-02 -0.10784E-03 4608 0.902E-02 0.150E-01 RMM: 6 -0.359836379344E+03 0.97142E-04 -0.23052E-04 3899 0.389E-02 0.960E-02 RMM: 7 -0.359836381801E+03 -0.24564E-05 -0.10046E-04 3831 0.304E-02 1269 T= 6353. E= 0.68303172E+03 F= 0.63047159E+03 E0= 0.66038415E+03 EK= 0.52560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360403829048E+03 -0.56745E+00 -0.15503E-01 8280 0.225E+01 0.443E-01 RMM: 2 -0.360412947526E+03 -0.91185E-02 -0.71611E-02 5267 0.622E-01 0.995E-01 RMM: 3 -0.360406653474E+03 0.62941E-02 -0.74081E-03 5402 0.198E-01 0.341E-01 RMM: 4 -0.360408509203E+03 -0.18557E-02 -0.29292E-03 5089 0.137E-01 0.650E-01 RMM: 5 -0.360405910702E+03 0.25985E-02 -0.15169E-03 4608 0.105E-01 0.196E-01 RMM: 6 -0.360405781405E+03 0.12930E-03 -0.36340E-04 4083 0.486E-02 0.147E-01 RMM: 7 -0.360405750676E+03 0.30729E-04 -0.20382E-04 3876 0.434E-02 0.134E-01 RMM: 8 -0.360405646743E+03 0.10393E-03 -0.59565E-05 3391 0.234E-02 0.454E-02 RMM: 9 -0.360405668012E+03 -0.21270E-04 -0.29736E-05 2853 0.154E-02 0.698E-02 RMM: 10 -0.360405653879E+03 0.14133E-04 -0.26274E-05 2579 0.160E-02 1270 T= 6106. E= 0.68085056E+03 F= 0.63033976E+03 E0= 0.66029614E+03 EK= 0.50511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360869749347E+03 -0.46408E+00 -0.15079E-01 8196 0.222E+01 0.326E-01 RMM: 2 -0.360876846344E+03 -0.70970E-02 -0.67463E-02 5231 0.589E-01 0.720E-01 RMM: 3 -0.360873414189E+03 0.34322E-02 -0.60594E-03 5542 0.169E-01 0.268E-01 RMM: 4 -0.360874347295E+03 -0.93311E-03 -0.18034E-03 4857 0.109E-01 0.482E-01 RMM: 5 -0.360872991154E+03 0.13561E-02 -0.92374E-04 4608 0.830E-02 0.169E-01 RMM: 6 -0.360872850765E+03 0.14039E-03 -0.22530E-04 3906 0.385E-02 0.914E-02 RMM: 7 -0.360872866575E+03 -0.15810E-04 -0.10133E-04 3813 0.307E-02 1271 T= 5962. E= 0.67963655E+03 F= 0.63031459E+03 E0= 0.66031855E+03 EK= 0.49322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361226868297E+03 -0.35402E+00 -0.15243E-01 8160 0.222E+01 0.450E-01 RMM: 2 -0.361232933758E+03 -0.60655E-02 -0.64954E-02 5409 0.573E-01 0.804E-01 RMM: 3 -0.361229090922E+03 0.38428E-02 -0.62823E-03 5385 0.181E-01 0.393E-01 RMM: 4 -0.361230787597E+03 -0.16967E-02 -0.26851E-03 5055 0.132E-01 0.661E-01 RMM: 5 -0.361227959966E+03 0.28276E-02 -0.14316E-03 4608 0.101E-01 0.138E-01 RMM: 6 -0.361227992004E+03 -0.32038E-04 -0.29812E-04 3913 0.436E-02 0.164E-01 RMM: 7 -0.361227894970E+03 0.97034E-04 -0.13861E-04 3878 0.356E-02 0.113E-01 RMM: 8 -0.361227823083E+03 0.71887E-04 -0.44297E-05 3213 0.195E-02 0.419E-02 RMM: 9 -0.361227851178E+03 -0.28095E-04 -0.29325E-05 2854 0.151E-02 0.734E-02 RMM: 10 -0.361227828768E+03 0.22410E-04 -0.21918E-05 2560 0.150E-02 0.252E-02 RMM: 11 -0.361227826548E+03 0.22200E-05 -0.43435E-06 2431 0.616E-03 1272 T= 5960. E= 0.67970534E+03 F= 0.63040133E+03 E0= 0.66045365E+03 EK= 0.49304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361443353995E+03 -0.21553E+00 -0.16154E-01 8160 0.224E+01 0.331E-01 RMM: 2 -0.361451055812E+03 -0.77018E-02 -0.75745E-02 5093 0.613E-01 0.696E-01 RMM: 3 -0.361447797798E+03 0.32580E-02 -0.70787E-03 5590 0.174E-01 0.279E-01 RMM: 4 -0.361448610376E+03 -0.81258E-03 -0.18779E-03 4914 0.109E-01 0.470E-01 RMM: 5 -0.361447266676E+03 0.13437E-02 -0.90375E-04 4605 0.809E-02 0.153E-01 RMM: 6 -0.361447148926E+03 0.11775E-03 -0.18493E-04 3893 0.349E-02 0.816E-02 RMM: 7 -0.361447172903E+03 -0.23977E-04 -0.69744E-05 3572 0.250E-02 0.105E-01 RMM: 8 -0.361447104162E+03 0.68741E-04 -0.26521E-05 2894 0.162E-02 0.257E-02 RMM: 9 -0.361447105958E+03 -0.17961E-05 -0.98728E-06 2460 0.880E-03 1273 T= 6098. E= 0.68106136E+03 F= 0.63061769E+03 E0= 0.66071927E+03 EK= 0.50444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361494944113E+03 -0.47840E-01 -0.16703E-01 8376 0.228E+01 0.397E-01 RMM: 2 -0.361501890691E+03 -0.69466E-02 -0.65565E-02 5390 0.573E-01 0.809E-01 RMM: 3 -0.361497712434E+03 0.41783E-02 -0.58904E-03 5413 0.172E-01 0.320E-01 RMM: 4 -0.361499142790E+03 -0.14304E-02 -0.20328E-03 4815 0.113E-01 0.579E-01 RMM: 5 -0.361496970727E+03 0.21721E-02 -0.10048E-03 4598 0.836E-02 0.124E-01 RMM: 6 -0.361496946366E+03 0.24361E-04 -0.20695E-04 3892 0.362E-02 0.117E-01 RMM: 7 -0.361496953544E+03 -0.71782E-05 -0.86296E-05 3635 0.265E-02 1274 T= 6335. E= 0.68340304E+03 F= 0.63099278E+03 E0= 0.66114048E+03 EK= 0.52410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361342842340E+03 0.15410E+00 -0.17614E-01 8328 0.233E+01 0.407E-01 RMM: 2 -0.361350230481E+03 -0.73881E-02 -0.70971E-02 5346 0.600E-01 0.806E-01 RMM: 3 -0.361346320911E+03 0.39096E-02 -0.67566E-03 5416 0.181E-01 0.358E-01 RMM: 4 -0.361347663608E+03 -0.13427E-02 -0.22558E-03 4866 0.117E-01 0.593E-01 RMM: 5 -0.361345442931E+03 0.22207E-02 -0.11545E-03 4607 0.900E-02 0.139E-01 RMM: 6 -0.361345416178E+03 0.26753E-04 -0.22298E-04 3888 0.373E-02 0.131E-01 RMM: 7 -0.361345401834E+03 0.14345E-04 -0.10675E-04 3867 0.294E-02 1275 T= 6598. E= 0.68613684E+03 F= 0.63155636E+03 E0= 0.66174795E+03 EK= 0.54580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360972397807E+03 0.37302E+00 -0.18059E-01 8376 0.238E+01 0.384E-01 RMM: 2 -0.360983116823E+03 -0.10719E-01 -0.73169E-02 5352 0.609E-01 0.104E+00 RMM: 3 -0.360975912369E+03 0.72045E-02 -0.70195E-03 5405 0.188E-01 0.273E-01 RMM: 4 -0.360977392722E+03 -0.14804E-02 -0.20701E-03 4872 0.111E-01 0.560E-01 RMM: 5 -0.360975456140E+03 0.19366E-02 -0.88221E-04 4599 0.783E-02 0.159E-01 RMM: 6 -0.360975334211E+03 0.12193E-03 -0.23904E-04 3900 0.394E-02 0.935E-02 RMM: 7 -0.360975399425E+03 -0.65214E-04 -0.89428E-05 3664 0.263E-02 0.139E-01 RMM: 8 -0.360975280617E+03 0.11881E-03 -0.46317E-05 3243 0.206E-02 0.307E-02 RMM: 9 -0.360975290477E+03 -0.98605E-05 -0.17291E-05 2525 0.116E-02 1276 T= 6790. E= 0.68849817E+03 F= 0.63232633E+03 E0= 0.66255704E+03 EK= 0.56172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360395380192E+03 0.57990E+00 -0.18419E-01 8184 0.240E+01 0.344E-01 RMM: 2 -0.360405267588E+03 -0.98874E-02 -0.76106E-02 5317 0.620E-01 0.910E-01 RMM: 3 -0.360399639007E+03 0.56286E-02 -0.67111E-03 5401 0.180E-01 0.270E-01 RMM: 4 -0.360400607210E+03 -0.96820E-03 -0.18933E-03 4791 0.107E-01 0.485E-01 RMM: 5 -0.360399221559E+03 0.13857E-02 -0.82177E-04 4601 0.767E-02 0.178E-01 RMM: 6 -0.360399039355E+03 0.18220E-03 -0.23494E-04 3895 0.394E-02 0.752E-02 RMM: 7 -0.360399073421E+03 -0.34066E-04 -0.72777E-05 3519 0.251E-02 0.109E-01 RMM: 8 -0.360398999882E+03 0.73538E-04 -0.27233E-05 2899 0.165E-02 0.262E-02 RMM: 9 -0.360399001543E+03 -0.16610E-05 -0.92176E-06 2466 0.811E-03 1277 T= 6836. E= 0.68984466E+03 F= 0.63329335E+03 E0= 0.66355689E+03 EK= 0.56551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359660410816E+03 0.73859E+00 -0.18435E-01 7812 0.239E+01 0.367E-01 RMM: 2 -0.359670027570E+03 -0.96168E-02 -0.75235E-02 5307 0.625E-01 0.918E-01 RMM: 3 -0.359664328374E+03 0.56992E-02 -0.67683E-03 5462 0.182E-01 0.262E-01 RMM: 4 -0.359665448490E+03 -0.11201E-02 -0.19964E-03 4906 0.112E-01 0.512E-01 RMM: 5 -0.359663843717E+03 0.16048E-02 -0.92935E-04 4604 0.811E-02 0.158E-01 RMM: 6 -0.359663772343E+03 0.71374E-04 -0.22345E-04 3880 0.382E-02 0.123E-01 RMM: 7 -0.359663763082E+03 0.92614E-05 -0.10210E-04 3834 0.297E-02 1278 T= 6719. E= 0.68999499E+03 F= 0.63441427E+03 E0= 0.66470439E+03 EK= 0.55581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358843418784E+03 0.82035E+00 -0.17939E-01 7668 0.236E+01 0.370E-01 RMM: 2 -0.358852167911E+03 -0.87491E-02 -0.75292E-02 5268 0.628E-01 0.833E-01 RMM: 3 -0.358847642123E+03 0.45258E-02 -0.67371E-03 5492 0.178E-01 0.288E-01 RMM: 4 -0.358848617406E+03 -0.97528E-03 -0.20799E-03 4924 0.116E-01 0.505E-01 RMM: 5 -0.358847033400E+03 0.15840E-02 -0.10737E-03 4608 0.880E-02 0.153E-01 RMM: 6 -0.358847072257E+03 -0.38857E-04 -0.32131E-04 3931 0.457E-02 0.175E-01 RMM: 7 -0.358846984295E+03 0.87962E-04 -0.14887E-04 3866 0.369E-02 0.131E-01 RMM: 8 -0.358846882450E+03 0.10185E-03 -0.53923E-05 3334 0.214E-02 0.421E-02 RMM: 9 -0.358846903855E+03 -0.21405E-04 -0.27310E-05 2757 0.145E-02 0.658E-02 RMM: 10 -0.358846891652E+03 0.12202E-04 -0.23319E-05 2550 0.152E-02 1279 T= 6492. E= 0.68932230E+03 F= 0.63561528E+03 E0= 0.66592925E+03 EK= 0.53707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358034221527E+03 0.81268E+00 -0.16868E-01 7596 0.232E+01 0.279E-01 RMM: 2 -0.358042588455E+03 -0.83669E-02 -0.78525E-02 4964 0.650E-01 0.666E-01 RMM: 3 -0.358039505394E+03 0.30831E-02 -0.79238E-03 5751 0.182E-01 0.204E-01 RMM: 4 -0.358040027240E+03 -0.52185E-03 -0.12420E-03 4720 0.911E-02 0.395E-01 RMM: 5 -0.358039095920E+03 0.93132E-03 -0.66311E-04 4588 0.703E-02 0.132E-01 RMM: 6 -0.358039098508E+03 -0.25880E-05 -0.25870E-04 3894 0.415E-02 0.136E-01 RMM: 7 -0.358039011253E+03 0.87255E-04 -0.94526E-05 3733 0.309E-02 0.748E-02 RMM: 8 -0.358038977688E+03 0.33566E-04 -0.15976E-05 2552 0.124E-02 0.238E-02 RMM: 9 -0.358038980139E+03 -0.24508E-05 -0.76735E-06 2448 0.798E-03 1280 T= 6251. E= 0.68851767E+03 F= 0.63680744E+03 E0= 0.66714410E+03 EK= 0.51710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357318513872E+03 0.72046E+00 -0.15691E-01 7692 0.228E+01 0.347E-01 RMM: 2 -0.357326169188E+03 -0.76553E-02 -0.68149E-02 5183 0.603E-01 0.770E-01 RMM: 3 -0.357322250309E+03 0.39189E-02 -0.62610E-03 5518 0.171E-01 0.266E-01 RMM: 4 -0.357323142524E+03 -0.89221E-03 -0.17853E-03 4891 0.108E-01 0.479E-01 RMM: 5 -0.357321705266E+03 0.14373E-02 -0.92682E-04 4593 0.813E-02 0.151E-01 RMM: 6 -0.357321677103E+03 0.28163E-04 -0.31926E-04 3986 0.461E-02 0.141E-01 RMM: 7 -0.357321615279E+03 0.61824E-04 -0.12098E-04 3856 0.337E-02 0.105E-01 RMM: 8 -0.357321549318E+03 0.65960E-04 -0.29769E-05 2937 0.167E-02 0.346E-02 RMM: 9 -0.357321566241E+03 -0.16923E-04 -0.19408E-05 2554 0.122E-02 1281 T= 6085. E= 0.68824441E+03 F= 0.63790850E+03 E0= 0.66826771E+03 EK= 0.50336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356748038531E+03 0.57351E+00 -0.15240E-01 7860 0.227E+01 0.302E-01 RMM: 2 -0.356755244290E+03 -0.72058E-02 -0.72220E-02 4907 0.629E-01 0.619E-01 RMM: 3 -0.356752704279E+03 0.25400E-02 -0.76610E-03 5608 0.183E-01 0.239E-01 RMM: 4 -0.356753251819E+03 -0.54754E-03 -0.13575E-03 4789 0.948E-02 0.404E-01 RMM: 5 -0.356752284262E+03 0.96756E-03 -0.63625E-04 4591 0.677E-02 0.156E-01 RMM: 6 -0.356752217141E+03 0.67121E-04 -0.25806E-04 3925 0.413E-02 0.121E-01 RMM: 7 -0.356752181674E+03 0.35468E-04 -0.10263E-04 3788 0.314E-02 0.982E-02 RMM: 8 -0.356752125712E+03 0.55962E-04 -0.28033E-05 2949 0.163E-02 0.305E-02 RMM: 9 -0.356752136246E+03 -0.10534E-04 -0.12972E-05 2486 0.101E-02 1282 T= 6051. E= 0.68891587E+03 F= 0.63885820E+03 E0= 0.66924176E+03 EK= 0.50058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356353212360E+03 0.39891E+00 -0.15102E-01 8028 0.228E+01 0.325E-01 RMM: 2 -0.356360964676E+03 -0.77523E-02 -0.66313E-02 5010 0.600E-01 0.781E-01 RMM: 3 -0.356357096283E+03 0.38684E-02 -0.70476E-03 5491 0.179E-01 0.254E-01 RMM: 4 -0.356357985021E+03 -0.88874E-03 -0.15701E-03 4831 0.997E-02 0.468E-01 RMM: 5 -0.356356641521E+03 0.13435E-02 -0.75330E-04 4577 0.729E-02 0.146E-01 RMM: 6 -0.356356564048E+03 0.77473E-04 -0.22762E-04 3904 0.387E-02 0.104E-01 RMM: 7 -0.356356567425E+03 -0.33765E-05 -0.82418E-05 3612 0.272E-02 1283 T= 6165. E= 0.69062621E+03 F= 0.63962702E+03 E0= 0.67003660E+03 EK= 0.50999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356126993073E+03 0.22957E+00 -0.15437E-01 7656 0.231E+01 0.365E-01 RMM: 2 -0.356134859624E+03 -0.78666E-02 -0.67461E-02 5003 0.615E-01 0.820E-01 RMM: 3 -0.356130691176E+03 0.41684E-02 -0.78166E-03 5440 0.194E-01 0.294E-01 RMM: 4 -0.356131747629E+03 -0.10565E-02 -0.18348E-03 4944 0.106E-01 0.511E-01 RMM: 5 -0.356130113609E+03 0.16340E-02 -0.85507E-04 4602 0.774E-02 0.152E-01 RMM: 6 -0.356130047792E+03 0.65816E-04 -0.22285E-04 3897 0.377E-02 0.121E-01 RMM: 7 -0.356130055324E+03 -0.75317E-05 -0.10256E-04 3799 0.291E-02 1284 T= 6396. E= 0.69312798E+03 F= 0.64021673E+03 E0= 0.67065366E+03 EK= 0.52911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356040514333E+03 0.89533E-01 -0.15967E-01 7992 0.235E+01 0.337E-01 RMM: 2 -0.356050276396E+03 -0.97621E-02 -0.62712E-02 5101 0.586E-01 0.991E-01 RMM: 3 -0.356043882095E+03 0.63943E-02 -0.68505E-03 5394 0.186E-01 0.254E-01 RMM: 4 -0.356044845060E+03 -0.96297E-03 -0.17785E-03 4848 0.103E-01 0.473E-01 RMM: 5 -0.356043528603E+03 0.13165E-02 -0.71977E-04 4585 0.705E-02 0.160E-01 RMM: 6 -0.356043392683E+03 0.13592E-03 -0.19358E-04 3896 0.357E-02 0.789E-02 RMM: 7 -0.356043451911E+03 -0.59228E-04 -0.82185E-05 3603 0.250E-02 0.124E-01 RMM: 8 -0.356043360383E+03 0.91528E-04 -0.43589E-05 3190 0.201E-02 0.344E-02 RMM: 9 -0.356043361500E+03 -0.11168E-05 -0.13457E-05 2494 0.102E-02 1285 T= 6670. E= 0.69583176E+03 F= 0.64065547E+03 E0= 0.67111787E+03 EK= 0.55176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356048065593E+03 -0.47052E-02 -0.16606E-01 8016 0.240E+01 0.342E-01 RMM: 2 -0.356058837916E+03 -0.10772E-01 -0.69147E-02 5128 0.628E-01 0.106E+00 RMM: 3 -0.356051778950E+03 0.70590E-02 -0.81842E-03 5389 0.205E-01 0.246E-01 RMM: 4 -0.356052609081E+03 -0.83013E-03 -0.17193E-03 4820 0.997E-02 0.442E-01 RMM: 5 -0.356051494528E+03 0.11146E-02 -0.62365E-04 4578 0.651E-02 0.184E-01 RMM: 6 -0.356051275216E+03 0.21931E-03 -0.19725E-04 3892 0.363E-02 0.505E-02 RMM: 7 -0.356051333054E+03 -0.57838E-04 -0.59675E-05 3396 0.212E-02 0.112E-01 RMM: 8 -0.356051255080E+03 0.77974E-04 -0.30525E-05 2888 0.178E-02 0.266E-02 RMM: 9 -0.356051254672E+03 0.40773E-06 -0.88885E-06 2465 0.810E-03 1286 T= 6882. E= 0.69792159E+03 F= 0.64098979E+03 E0= 0.67147237E+03 EK= 0.56932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356103104662E+03 -0.51850E-01 -0.17159E-01 7980 0.242E+01 0.358E-01 RMM: 2 -0.356113542400E+03 -0.10438E-01 -0.70435E-02 5193 0.631E-01 0.102E+00 RMM: 3 -0.356106868073E+03 0.66743E-02 -0.76724E-03 5382 0.197E-01 0.265E-01 RMM: 4 -0.356107800059E+03 -0.93199E-03 -0.19622E-03 4876 0.107E-01 0.474E-01 RMM: 5 -0.356106457277E+03 0.13428E-02 -0.78325E-04 4601 0.736E-02 0.165E-01 RMM: 6 -0.356106313519E+03 0.14376E-03 -0.16283E-04 3879 0.323E-02 0.839E-02 RMM: 7 -0.356106367374E+03 -0.53856E-04 -0.10635E-04 3808 0.274E-02 0.123E-01 RMM: 8 -0.356106272405E+03 0.94970E-04 -0.57366E-05 3371 0.225E-02 0.353E-02 RMM: 9 -0.356106273998E+03 -0.15938E-05 -0.15587E-05 2508 0.113E-02 1287 T= 6939. E= 0.69867823E+03 F= 0.64127053E+03 E0= 0.67176477E+03 EK= 0.57408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356170518784E+03 -0.64246E-01 -0.17518E-01 7860 0.241E+01 0.338E-01 RMM: 2 -0.356180036511E+03 -0.95177E-02 -0.74303E-02 5191 0.650E-01 0.916E-01 RMM: 3 -0.356174733530E+03 0.53030E-02 -0.79567E-03 5462 0.194E-01 0.242E-01 RMM: 4 -0.356175569048E+03 -0.83552E-03 -0.16361E-03 4747 0.985E-02 0.447E-01 RMM: 5 -0.356174378932E+03 0.11901E-02 -0.69826E-04 4599 0.691E-02 0.159E-01 RMM: 6 -0.356174239136E+03 0.13980E-03 -0.18748E-04 3887 0.352E-02 0.722E-02 RMM: 7 -0.356174304593E+03 -0.65457E-04 -0.72119E-05 3530 0.236E-02 0.124E-01 RMM: 8 -0.356174211032E+03 0.93560E-04 -0.39004E-05 3102 0.194E-02 0.320E-02 RMM: 9 -0.356174212779E+03 -0.17465E-05 -0.12231E-05 2484 0.977E-03 1288 T= 6812. E= 0.69788930E+03 F= 0.64153626E+03 E0= 0.67203260E+03 EK= 0.56353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356238761633E+03 -0.64551E-01 -0.17251E-01 8016 0.238E+01 0.330E-01 RMM: 2 -0.356248689305E+03 -0.99277E-02 -0.74649E-02 5185 0.640E-01 0.925E-01 RMM: 3 -0.356243124038E+03 0.55653E-02 -0.75413E-03 5426 0.188E-01 0.239E-01 RMM: 4 -0.356243846989E+03 -0.72295E-03 -0.17728E-03 4811 0.103E-01 0.429E-01 RMM: 5 -0.356242808068E+03 0.10389E-02 -0.75117E-04 4608 0.726E-02 0.175E-01 RMM: 6 -0.356242643274E+03 0.16479E-03 -0.18447E-04 3887 0.348E-02 0.830E-02 RMM: 7 -0.356242704656E+03 -0.61382E-04 -0.10130E-04 3771 0.279E-02 0.128E-01 RMM: 8 -0.356242602555E+03 0.10210E-03 -0.51029E-05 3302 0.216E-02 0.311E-02 RMM: 9 -0.356242605413E+03 -0.28581E-05 -0.13366E-05 2492 0.104E-02 1289 T= 6551. E= 0.69599936E+03 F= 0.64180337E+03 E0= 0.67229230E+03 EK= 0.54196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356313717146E+03 -0.71115E-01 -0.16528E-01 7848 0.233E+01 0.322E-01 RMM: 2 -0.356323315017E+03 -0.95979E-02 -0.68840E-02 5287 0.612E-01 0.951E-01 RMM: 3 -0.356317595456E+03 0.57196E-02 -0.68587E-03 5489 0.180E-01 0.235E-01 RMM: 4 -0.356318290539E+03 -0.69508E-03 -0.15523E-03 4679 0.969E-02 0.418E-01 RMM: 5 -0.356317263344E+03 0.10272E-02 -0.74304E-04 4602 0.731E-02 0.157E-01 RMM: 6 -0.356317147173E+03 0.11617E-03 -0.18977E-04 3886 0.352E-02 0.896E-02 RMM: 7 -0.356317193259E+03 -0.46086E-04 -0.98524E-05 3832 0.286E-02 0.123E-01 RMM: 8 -0.356317098687E+03 0.94572E-04 -0.45712E-05 3237 0.206E-02 0.320E-02 RMM: 9 -0.356317100883E+03 -0.21958E-05 -0.11661E-05 2484 0.979E-03 1290 T= 6259. E= 0.69384727E+03 F= 0.64206836E+03 E0= 0.67254271E+03 EK= 0.51779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356406833774E+03 -0.89735E-01 -0.15858E-01 8064 0.229E+01 0.320E-01 RMM: 2 -0.356415911071E+03 -0.90773E-02 -0.64104E-02 5347 0.583E-01 0.929E-01 RMM: 3 -0.356410293743E+03 0.56173E-02 -0.61039E-03 5478 0.171E-01 0.236E-01 RMM: 4 -0.356410945825E+03 -0.65208E-03 -0.16109E-03 4690 0.993E-02 0.411E-01 RMM: 5 -0.356410012629E+03 0.93320E-03 -0.73238E-04 4608 0.724E-02 0.180E-01 RMM: 6 -0.356409836182E+03 0.17645E-03 -0.19856E-04 3891 0.361E-02 0.833E-02 RMM: 7 -0.356409890509E+03 -0.54327E-04 -0.10335E-04 3811 0.294E-02 0.124E-01 RMM: 8 -0.356409794602E+03 0.95907E-04 -0.46873E-05 3251 0.208E-02 0.311E-02 RMM: 9 -0.356409798936E+03 -0.43337E-05 -0.12397E-05 2490 0.101E-02 1291 T= 6036. E= 0.69224962E+03 F= 0.64231880E+03 E0= 0.67277369E+03 EK= 0.49931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356524246774E+03 -0.11445E+00 -0.15206E-01 8364 0.226E+01 0.317E-01 RMM: 2 -0.356532535387E+03 -0.82886E-02 -0.58976E-02 5387 0.552E-01 0.890E-01 RMM: 3 -0.356527220885E+03 0.53145E-02 -0.53672E-03 5404 0.162E-01 0.231E-01 RMM: 4 -0.356528054053E+03 -0.83317E-03 -0.15999E-03 4656 0.100E-01 0.434E-01 RMM: 5 -0.356526903100E+03 0.11510E-02 -0.69549E-04 4608 0.700E-02 0.145E-01 RMM: 6 -0.356526805750E+03 0.97349E-04 -0.15901E-04 3877 0.318E-02 0.872E-02 RMM: 7 -0.356526836846E+03 -0.31095E-04 -0.91806E-05 3746 0.276E-02 0.112E-01 RMM: 8 -0.356526759400E+03 0.77446E-04 -0.40931E-05 3159 0.196E-02 0.285E-02 RMM: 9 -0.356526765403E+03 -0.60034E-05 -0.11435E-05 2481 0.954E-03 1292 T= 5947. E= 0.69174134E+03 F= 0.64254594E+03 E0= 0.67297922E+03 EK= 0.49195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356657600557E+03 -0.13084E+00 -0.15094E-01 8328 0.227E+01 0.321E-01 RMM: 2 -0.356665683703E+03 -0.80831E-02 -0.59423E-02 5392 0.548E-01 0.886E-01 RMM: 3 -0.356660583984E+03 0.50997E-02 -0.53887E-03 5468 0.162E-01 0.243E-01 RMM: 4 -0.356661355026E+03 -0.77104E-03 -0.15463E-03 4668 0.963E-02 0.430E-01 RMM: 5 -0.356660237546E+03 0.11175E-02 -0.67260E-04 4578 0.682E-02 0.152E-01 RMM: 6 -0.356660115699E+03 0.12185E-03 -0.15930E-04 3875 0.323E-02 0.754E-02 RMM: 7 -0.356660161703E+03 -0.46004E-04 -0.74075E-05 3590 0.246E-02 0.113E-01 RMM: 8 -0.356660081074E+03 0.80630E-04 -0.35921E-05 3078 0.186E-02 0.275E-02 RMM: 9 -0.356660086355E+03 -0.52817E-05 -0.11483E-05 2485 0.929E-03 1293 T= 6015. E= 0.69251615E+03 F= 0.64275358E+03 E0= 0.67316474E+03 EK= 0.49763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356784285113E+03 -0.12420E+00 -0.15394E-01 8280 0.230E+01 0.335E-01 RMM: 2 -0.356794479853E+03 -0.10195E-01 -0.64478E-02 5297 0.578E-01 0.102E+00 RMM: 3 -0.356787619586E+03 0.68603E-02 -0.65239E-03 5424 0.179E-01 0.242E-01 RMM: 4 -0.356788447082E+03 -0.82750E-03 -0.17607E-03 4725 0.102E-01 0.440E-01 RMM: 5 -0.356787284748E+03 0.11623E-02 -0.65919E-04 4591 0.669E-02 0.154E-01 RMM: 6 -0.356787149731E+03 0.13502E-03 -0.13751E-04 3864 0.297E-02 0.684E-02 RMM: 7 -0.356787193056E+03 -0.43325E-04 -0.78810E-05 3588 0.246E-02 0.107E-01 RMM: 8 -0.356787122077E+03 0.70978E-04 -0.36866E-05 3091 0.190E-02 0.283E-02 RMM: 9 -0.356787125840E+03 -0.37633E-05 -0.10833E-05 2484 0.893E-03 1294 T= 6222. E= 0.69443094E+03 F= 0.64296035E+03 E0= 0.67335032E+03 EK= 0.51471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356867629589E+03 -0.80508E-01 -0.16049E-01 8028 0.235E+01 0.330E-01 RMM: 2 -0.356876614218E+03 -0.89846E-02 -0.72194E-02 5246 0.608E-01 0.864E-01 RMM: 3 -0.356871785739E+03 0.48285E-02 -0.71352E-03 5497 0.183E-01 0.262E-01 RMM: 4 -0.356872632360E+03 -0.84662E-03 -0.15263E-03 4679 0.937E-02 0.450E-01 RMM: 5 -0.356871361668E+03 0.12707E-02 -0.62653E-04 4540 0.644E-02 0.140E-01 RMM: 6 -0.356871254904E+03 0.10676E-03 -0.14460E-04 3873 0.308E-02 0.684E-02 RMM: 7 -0.356871298502E+03 -0.43599E-04 -0.65204E-05 3471 0.223E-02 0.108E-01 RMM: 8 -0.356871225848E+03 0.72654E-04 -0.34840E-05 3033 0.184E-02 0.296E-02 RMM: 9 -0.356871229301E+03 -0.34529E-05 -0.12720E-05 2486 0.977E-03 1295 T= 6504. E= 0.69700370E+03 F= 0.64320038E+03 E0= 0.67357081E+03 EK= 0.53803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356871024217E+03 0.20163E-03 -0.16407E-01 7848 0.241E+01 0.331E-01 RMM: 2 -0.356881523342E+03 -0.10499E-01 -0.73854E-02 5314 0.614E-01 0.967E-01 RMM: 3 -0.356875192629E+03 0.63307E-02 -0.70635E-03 5459 0.183E-01 0.244E-01 RMM: 4 -0.356875983677E+03 -0.79105E-03 -0.17101E-03 4748 0.998E-02 0.437E-01 RMM: 5 -0.356874816608E+03 0.11671E-02 -0.63510E-04 4571 0.656E-02 0.140E-01 RMM: 6 -0.356874706428E+03 0.11018E-03 -0.11650E-04 3804 0.274E-02 0.663E-02 RMM: 7 -0.356874737286E+03 -0.30858E-04 -0.73335E-05 3557 0.234E-02 0.974E-02 RMM: 8 -0.356874678361E+03 0.58925E-04 -0.35660E-05 3064 0.185E-02 0.267E-02 RMM: 9 -0.356874683743E+03 -0.53822E-05 -0.10704E-05 2481 0.887E-03 1296 T= 6763. E= 0.69946257E+03 F= 0.64351115E+03 E0= 0.67386465E+03 EK= 0.55951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356766131487E+03 0.10855E+00 -0.16610E-01 7740 0.245E+01 0.314E-01 RMM: 2 -0.356774246591E+03 -0.81151E-02 -0.73458E-02 5338 0.602E-01 0.746E-01 RMM: 3 -0.356770438474E+03 0.38081E-02 -0.63413E-03 5493 0.174E-01 0.268E-01 RMM: 4 -0.356771166635E+03 -0.72816E-03 -0.13195E-03 4651 0.871E-02 0.434E-01 RMM: 5 -0.356769966099E+03 0.12005E-02 -0.57630E-04 4539 0.620E-02 0.123E-01 RMM: 6 -0.356769898151E+03 0.67948E-04 -0.13754E-04 3872 0.303E-02 0.763E-02 RMM: 7 -0.356769930845E+03 -0.32693E-04 -0.63922E-05 3461 0.222E-02 0.106E-01 RMM: 8 -0.356769859420E+03 0.71425E-04 -0.34996E-05 3033 0.182E-02 0.264E-02 RMM: 9 -0.356769865512E+03 -0.60924E-05 -0.13286E-05 2488 0.997E-03 1297 T= 6897. E= 0.70098101E+03 F= 0.64392232E+03 E0= 0.67426207E+03 EK= 0.57059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356547584589E+03 0.22227E+00 -0.16748E-01 7752 0.246E+01 0.295E-01 RMM: 2 -0.356556220164E+03 -0.86356E-02 -0.78830E-02 5275 0.621E-01 0.715E-01 RMM: 3 -0.356552484707E+03 0.37355E-02 -0.65525E-03 5548 0.171E-01 0.238E-01 RMM: 4 -0.356553070741E+03 -0.58603E-03 -0.13383E-03 4716 0.896E-02 0.401E-01 RMM: 5 -0.356552058894E+03 0.10118E-02 -0.58745E-04 4543 0.636E-02 0.107E-01 RMM: 6 -0.356552035259E+03 0.23635E-04 -0.11630E-04 3839 0.274E-02 0.950E-02 RMM: 7 -0.356552021781E+03 0.13478E-04 -0.67099E-05 3516 0.231E-02 1298 T= 6847. E= 0.70108356E+03 F= 0.64444211E+03 E0= 0.67477159E+03 EK= 0.56641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356241152528E+03 0.31088E+00 -0.16556E-01 7572 0.244E+01 0.295E-01 RMM: 2 -0.356248895998E+03 -0.77435E-02 -0.73552E-02 5353 0.601E-01 0.655E-01 RMM: 3 -0.356245714559E+03 0.31814E-02 -0.55449E-03 5435 0.162E-01 0.253E-01 RMM: 4 -0.356246259314E+03 -0.54475E-03 -0.13384E-03 4690 0.911E-02 0.401E-01 RMM: 5 -0.356245236720E+03 0.10226E-02 -0.64056E-04 4566 0.663E-02 0.104E-01 RMM: 6 -0.356245296174E+03 -0.59454E-04 -0.16912E-04 3882 0.324E-02 0.144E-01 RMM: 7 -0.356245203392E+03 0.92782E-04 -0.82433E-05 3695 0.265E-02 0.829E-02 RMM: 8 -0.356245163675E+03 0.39717E-04 -0.28793E-05 2916 0.161E-02 0.299E-02 RMM: 9 -0.356245178612E+03 -0.14938E-04 -0.16468E-05 2513 0.113E-02 1299 T= 6634. E= 0.69993508E+03 F= 0.64505010E+03 E0= 0.67537295E+03 EK= 0.54885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355888734441E+03 0.35643E+00 -0.15891E-01 7716 0.239E+01 0.269E-01 RMM: 2 -0.355898575917E+03 -0.98415E-02 -0.75562E-02 5186 0.630E-01 0.838E-01 RMM: 3 -0.355893668190E+03 0.49077E-02 -0.68082E-03 5624 0.174E-01 0.188E-01 RMM: 4 -0.355894021854E+03 -0.35366E-03 -0.11084E-03 4661 0.827E-02 0.325E-01 RMM: 5 -0.355893372666E+03 0.64919E-03 -0.47774E-04 4520 0.586E-02 0.125E-01 RMM: 6 -0.355893335376E+03 0.37291E-04 -0.16794E-04 3886 0.336E-02 0.102E-01 RMM: 7 -0.355893349921E+03 -0.14546E-04 -0.74542E-05 3589 0.247E-02 1300 T= 6350. E= 0.69823329E+03 F= 0.64570477E+03 E0= 0.67602510E+03 EK= 0.52529E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355544001344E+03 0.34933E+00 -0.14781E-01 7632 0.235E+01 0.319E-01 RMM: 2 -0.355553562444E+03 -0.95611E-02 -0.72073E-02 5254 0.633E-01 0.888E-01 RMM: 3 -0.355548466808E+03 0.50956E-02 -0.69193E-03 5555 0.178E-01 0.248E-01 RMM: 4 -0.355548915889E+03 -0.44908E-03 -0.14192E-03 4718 0.934E-02 0.386E-01 RMM: 5 -0.355547994516E+03 0.92137E-03 -0.69698E-04 4592 0.705E-02 0.141E-01 RMM: 6 -0.355548014661E+03 -0.20146E-04 -0.23653E-04 3889 0.392E-02 0.153E-01 RMM: 7 -0.355547953298E+03 0.61364E-04 -0.11950E-04 3881 0.318E-02 0.120E-01 RMM: 8 -0.355547864757E+03 0.88541E-04 -0.52663E-05 3325 0.210E-02 0.355E-02 RMM: 9 -0.355547878246E+03 -0.13489E-04 -0.18986E-05 2539 0.122E-02 1301 T= 6099. E= 0.69681355E+03 F= 0.64635522E+03 E0= 0.67667665E+03 EK= 0.50458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355250641959E+03 0.29722E+00 -0.14343E-01 7656 0.231E+01 0.285E-01 RMM: 2 -0.355262561414E+03 -0.11919E-01 -0.71243E-02 5105 0.648E-01 0.106E+00 RMM: 3 -0.355255295458E+03 0.72660E-02 -0.78436E-03 5466 0.196E-01 0.211E-01 RMM: 4 -0.355255396204E+03 -0.10075E-03 -0.11699E-03 4660 0.809E-02 0.270E-01 RMM: 5 -0.355255056774E+03 0.33943E-03 -0.44259E-04 4543 0.568E-02 0.173E-01 RMM: 6 -0.355254887118E+03 0.16966E-03 -0.19104E-04 3891 0.365E-02 0.695E-02 RMM: 7 -0.355254951934E+03 -0.64816E-04 -0.71092E-05 3527 0.239E-02 0.120E-01 RMM: 8 -0.355254860085E+03 0.91849E-04 -0.32472E-05 2996 0.183E-02 0.263E-02 RMM: 9 -0.355254859893E+03 0.19206E-06 -0.79395E-06 2459 0.773E-03 1302 T= 5966. E= 0.69631071E+03 F= 0.64695367E+03 E0= 0.67727907E+03 EK= 0.49357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355040588047E+03 0.21427E+00 -0.14152E-01 7536 0.229E+01 0.315E-01 RMM: 2 -0.355052116895E+03 -0.11529E-01 -0.66297E-02 5205 0.618E-01 0.108E+00 RMM: 3 -0.355044546536E+03 0.75704E-02 -0.69986E-03 5422 0.185E-01 0.220E-01 RMM: 4 -0.355045079278E+03 -0.53274E-03 -0.15061E-03 4711 0.950E-02 0.378E-01 RMM: 5 -0.355044260855E+03 0.81842E-03 -0.56985E-04 4564 0.626E-02 0.164E-01 RMM: 6 -0.355044131892E+03 0.12896E-03 -0.18449E-04 3888 0.347E-02 0.936E-02 RMM: 7 -0.355044170216E+03 -0.38324E-04 -0.10449E-04 3761 0.282E-02 0.123E-01 RMM: 8 -0.355044076499E+03 0.93718E-04 -0.50247E-05 3282 0.213E-02 0.324E-02 RMM: 9 -0.355044079174E+03 -0.26748E-05 -0.13142E-05 2495 0.101E-02 1303 T= 5991. E= 0.69702990E+03 F= 0.64746712E+03 E0= 0.67779855E+03 EK= 0.49563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354923442150E+03 0.12063E+00 -0.14394E-01 7584 0.231E+01 0.326E-01 RMM: 2 -0.354938422468E+03 -0.14980E-01 -0.73519E-02 5179 0.656E-01 0.128E+00 RMM: 3 -0.354927907504E+03 0.10515E-01 -0.84419E-03 5375 0.208E-01 0.234E-01 RMM: 4 -0.354928146466E+03 -0.23896E-03 -0.15246E-03 4710 0.909E-02 0.316E-01 RMM: 5 -0.354927642020E+03 0.50445E-03 -0.47047E-04 4522 0.559E-02 0.182E-01 RMM: 6 -0.354927447276E+03 0.19474E-03 -0.17452E-04 3886 0.345E-02 0.666E-02 RMM: 7 -0.354927521102E+03 -0.73826E-04 -0.84893E-05 3630 0.248E-02 0.124E-01 RMM: 8 -0.354927426551E+03 0.94551E-04 -0.41274E-05 3147 0.201E-02 0.357E-02 RMM: 9 -0.354927423432E+03 0.31193E-05 -0.11127E-05 2480 0.938E-03 1304 T= 6171. E= 0.69892933E+03 F= 0.64788015E+03 E0= 0.67821928E+03 EK= 0.51049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354894488676E+03 0.32938E-01 -0.14895E-01 7884 0.234E+01 0.317E-01 RMM: 2 -0.354908277170E+03 -0.13788E-01 -0.72621E-02 5293 0.627E-01 0.119E+00 RMM: 3 -0.354898916081E+03 0.93611E-02 -0.74066E-03 5408 0.191E-01 0.211E-01 RMM: 4 -0.354899609898E+03 -0.69382E-03 -0.15814E-03 4691 0.954E-02 0.398E-01 RMM: 5 -0.354898695593E+03 0.91431E-03 -0.49484E-04 4458 0.566E-02 0.157E-01 RMM: 6 -0.354898548041E+03 0.14755E-03 -0.14472E-04 3872 0.308E-02 0.649E-02 RMM: 7 -0.354898602260E+03 -0.54219E-04 -0.88190E-05 3675 0.250E-02 0.113E-01 RMM: 8 -0.354898522100E+03 0.80160E-04 -0.45445E-05 3198 0.207E-02 0.283E-02 RMM: 9 -0.354898525256E+03 -0.31564E-05 -0.12275E-05 2486 0.977E-03 1305 T= 6456. E= 0.70160666E+03 F= 0.64819667E+03 E0= 0.67854425E+03 EK= 0.53410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354929811006E+03 -0.31289E-01 -0.16422E-01 8496 0.238E+01 0.320E-01 RMM: 2 -0.354943911024E+03 -0.14100E-01 -0.89945E-02 5259 0.691E-01 0.112E+00 RMM: 3 -0.354935643271E+03 0.82678E-02 -0.86715E-03 5477 0.200E-01 0.220E-01 RMM: 4 -0.354936212565E+03 -0.56929E-03 -0.16121E-03 4717 0.953E-02 0.380E-01 RMM: 5 -0.354935327269E+03 0.88530E-03 -0.49822E-04 4439 0.568E-02 0.140E-01 RMM: 6 -0.354935215704E+03 0.11157E-03 -0.11513E-04 3827 0.276E-02 0.617E-02 RMM: 7 -0.354935268017E+03 -0.52313E-04 -0.70723E-05 3541 0.223E-02 0.110E-01 RMM: 8 -0.354935192757E+03 0.75259E-04 -0.41731E-05 3117 0.197E-02 0.305E-02 RMM: 9 -0.354935195634E+03 -0.28766E-05 -0.13361E-05 2487 0.102E-02 1306 T= 6754. E= 0.70430910E+03 F= 0.64843838E+03 E0= 0.67879464E+03 EK= 0.55871E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355006525091E+03 -0.71332E-01 -0.17697E-01 8724 0.241E+01 0.310E-01 RMM: 2 -0.355019171776E+03 -0.12647E-01 -0.96590E-02 5381 0.694E-01 0.948E-01 RMM: 3 -0.355012952445E+03 0.62193E-02 -0.80315E-03 5558 0.189E-01 0.227E-01 RMM: 4 -0.355013533950E+03 -0.58150E-03 -0.15233E-03 4669 0.937E-02 0.393E-01 RMM: 5 -0.355012624462E+03 0.90949E-03 -0.50662E-04 4412 0.562E-02 0.143E-01 RMM: 6 -0.355012506743E+03 0.11772E-03 -0.11677E-04 3842 0.281E-02 0.628E-02 RMM: 7 -0.355012560438E+03 -0.53695E-04 -0.80150E-05 3664 0.238E-02 0.112E-01 RMM: 8 -0.355012481396E+03 0.79042E-04 -0.46672E-05 3184 0.203E-02 0.293E-02 RMM: 9 -0.355012486037E+03 -0.46407E-05 -0.15638E-05 2509 0.111E-02 1307 T= 6948. E= 0.70611006E+03 F= 0.64863192E+03 E0= 0.67899653E+03 EK= 0.57478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355113395545E+03 -0.10091E+00 -0.18357E-01 8964 0.242E+01 0.306E-01 RMM: 2 -0.355126564497E+03 -0.13169E-01 -0.10428E-01 5415 0.705E-01 0.927E-01 RMM: 3 -0.355120357063E+03 0.62074E-02 -0.79056E-03 5604 0.185E-01 0.215E-01 RMM: 4 -0.355120957039E+03 -0.59998E-03 -0.14063E-03 4637 0.894E-02 0.390E-01 RMM: 5 -0.355119999389E+03 0.95765E-03 -0.50472E-04 4462 0.573E-02 0.114E-01 RMM: 6 -0.355119938320E+03 0.61069E-04 -0.11083E-04 3842 0.270E-02 0.733E-02 RMM: 7 -0.355119984412E+03 -0.46092E-04 -0.72769E-05 3578 0.227E-02 0.112E-01 RMM: 8 -0.355119907245E+03 0.77167E-04 -0.46073E-05 3176 0.202E-02 0.330E-02 RMM: 9 -0.355119909531E+03 -0.22859E-05 -0.14837E-05 2503 0.108E-02 1308 T= 6955. E= 0.70632678E+03 F= 0.64879105E+03 E0= 0.67916408E+03 EK= 0.57536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355269542833E+03 -0.14964E+00 -0.18680E-01 8952 0.240E+01 0.295E-01 RMM: 2 -0.355283214421E+03 -0.13672E-01 -0.10879E-01 5407 0.712E-01 0.910E-01 RMM: 3 -0.355277085240E+03 0.61292E-02 -0.87382E-03 5599 0.195E-01 0.217E-01 RMM: 4 -0.355277612126E+03 -0.52689E-03 -0.14085E-03 4680 0.893E-02 0.373E-01 RMM: 5 -0.355276792175E+03 0.81995E-03 -0.47325E-04 4314 0.539E-02 0.141E-01 RMM: 6 -0.355276695352E+03 0.96823E-04 -0.14688E-04 3895 0.320E-02 0.777E-02 RMM: 7 -0.355276755980E+03 -0.60628E-04 -0.85315E-05 3748 0.246E-02 0.121E-01 RMM: 8 -0.355276660528E+03 0.95452E-04 -0.50879E-05 3259 0.211E-02 0.312E-02 RMM: 9 -0.355276663509E+03 -0.29802E-05 -0.15034E-05 2505 0.109E-02 1309 T= 6773. E= 0.70493033E+03 F= 0.64890038E+03 E0= 0.67928222E+03 EK= 0.56030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355527656836E+03 -0.25100E+00 -0.18699E-01 9012 0.236E+01 0.297E-01 RMM: 2 -0.355544373372E+03 -0.16717E-01 -0.11562E-01 5340 0.733E-01 0.108E+00 RMM: 3 -0.355535738145E+03 0.86352E-02 -0.93083E-03 5548 0.204E-01 0.221E-01 RMM: 4 -0.355536048147E+03 -0.31000E-03 -0.14404E-03 4693 0.892E-02 0.330E-01 RMM: 5 -0.355535427916E+03 0.62023E-03 -0.47632E-04 4480 0.562E-02 0.150E-01 RMM: 6 -0.355535313490E+03 0.11443E-03 -0.15579E-04 3876 0.321E-02 0.830E-02 RMM: 7 -0.355535381212E+03 -0.67722E-04 -0.10355E-04 3821 0.273E-02 0.129E-01 RMM: 8 -0.355535278333E+03 0.10288E-03 -0.52995E-05 3302 0.216E-02 0.359E-02 RMM: 9 -0.355535277016E+03 0.13166E-05 -0.12929E-05 2496 0.101E-02 1310 T= 6485. E= 0.70255910E+03 F= 0.64891048E+03 E0= 0.67930327E+03 EK= 0.53649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355960962293E+03 -0.42568E+00 -0.18400E-01 9012 0.231E+01 0.294E-01 RMM: 2 -0.355976814086E+03 -0.15852E-01 -0.11608E-01 5317 0.737E-01 0.102E+00 RMM: 3 -0.355969164967E+03 0.76491E-02 -0.98395E-03 5664 0.208E-01 0.212E-01 RMM: 4 -0.355969415967E+03 -0.25100E-03 -0.12715E-03 4688 0.833E-02 0.319E-01 RMM: 5 -0.355968865831E+03 0.55014E-03 -0.45092E-04 4421 0.539E-02 0.165E-01 RMM: 6 -0.355968741223E+03 0.12461E-03 -0.21163E-04 3894 0.384E-02 0.919E-02 RMM: 7 -0.355968817509E+03 -0.76286E-04 -0.10147E-04 3859 0.274E-02 0.138E-01 RMM: 8 -0.355968693944E+03 0.12356E-03 -0.53882E-05 3321 0.217E-02 0.360E-02 RMM: 9 -0.355968693086E+03 0.85848E-06 -0.14784E-05 2492 0.109E-02 1311 T= 6209. E= 0.70011603E+03 F= 0.64874981E+03 E0= 0.67915699E+03 EK= 0.51366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356636692400E+03 -0.66800E+00 -0.18043E-01 9048 0.228E+01 0.298E-01 RMM: 2 -0.356654212896E+03 -0.17520E-01 -0.11024E-01 5333 0.717E-01 0.117E+00 RMM: 3 -0.356644469322E+03 0.97436E-02 -0.95180E-03 5566 0.207E-01 0.230E-01 RMM: 4 -0.356644591586E+03 -0.12226E-03 -0.13961E-03 4692 0.872E-02 0.297E-01 RMM: 5 -0.356644115001E+03 0.47659E-03 -0.48131E-04 4545 0.574E-02 0.156E-01 RMM: 6 -0.356643996759E+03 0.11824E-03 -0.16097E-04 3876 0.323E-02 0.896E-02 RMM: 7 -0.356644056262E+03 -0.59503E-04 -0.10806E-04 3863 0.281E-02 0.130E-01 RMM: 8 -0.356643951416E+03 0.10485E-03 -0.51276E-05 3298 0.213E-02 0.325E-02 RMM: 9 -0.356643951881E+03 -0.46512E-06 -0.11740E-05 2486 0.948E-03 1312 T= 6043. E= 0.69834035E+03 F= 0.64835071E+03 E0= 0.67877726E+03 EK= 0.49990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357601074123E+03 -0.95712E+00 -0.17696E-01 9048 0.227E+01 0.307E-01 RMM: 2 -0.357616164196E+03 -0.15090E-01 -0.10269E-01 5377 0.694E-01 0.107E+00 RMM: 3 -0.357607948108E+03 0.82161E-02 -0.89312E-03 5555 0.205E-01 0.210E-01 RMM: 4 -0.357608288183E+03 -0.34008E-03 -0.13471E-03 4673 0.851E-02 0.335E-01 RMM: 5 -0.357607671161E+03 0.61702E-03 -0.44115E-04 4371 0.531E-02 0.166E-01 RMM: 6 -0.357607533112E+03 0.13805E-03 -0.19373E-04 3885 0.367E-02 0.838E-02 RMM: 7 -0.357607615014E+03 -0.81902E-04 -0.94384E-05 3811 0.260E-02 0.140E-01 RMM: 8 -0.357607491466E+03 0.12355E-03 -0.49725E-05 3280 0.210E-02 0.351E-02 RMM: 9 -0.357607490111E+03 0.13553E-05 -0.14559E-05 2485 0.107E-02 1313 T= 6037. E= 0.69760962E+03 F= 0.64766445E+03 E0= 0.67811603E+03 EK= 0.49945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358865015930E+03 -0.12575E+01 -0.17503E-01 8832 0.231E+01 0.310E-01 RMM: 2 -0.358881114882E+03 -0.16099E-01 -0.96361E-02 5383 0.671E-01 0.118E+00 RMM: 3 -0.358871433885E+03 0.96810E-02 -0.84283E-03 5480 0.199E-01 0.225E-01 RMM: 4 -0.358871839570E+03 -0.40568E-03 -0.15436E-03 4695 0.923E-02 0.354E-01 RMM: 5 -0.358871100414E+03 0.73916E-03 -0.48997E-04 4430 0.566E-02 0.146E-01 RMM: 6 -0.358870988985E+03 0.11143E-03 -0.12867E-04 3871 0.289E-02 0.760E-02 RMM: 7 -0.358871046389E+03 -0.57404E-04 -0.95300E-05 3827 0.257E-02 0.122E-01 RMM: 8 -0.358870952870E+03 0.93519E-04 -0.46860E-05 3222 0.206E-02 0.303E-02 RMM: 9 -0.358870954083E+03 -0.12132E-05 -0.11895E-05 2482 0.950E-03 1314 T= 6194. E= 0.69791706E+03 F= 0.64667645E+03 E0= 0.67715934E+03 EK= 0.51241E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360398525498E+03 -0.15276E+01 -0.18089E-01 8700 0.236E+01 0.328E-01 RMM: 2 -0.360413007966E+03 -0.14482E-01 -0.98383E-02 5273 0.701E-01 0.109E+00 RMM: 3 -0.360404928414E+03 0.80796E-02 -0.97039E-03 5544 0.213E-01 0.226E-01 RMM: 4 -0.360405404740E+03 -0.47633E-03 -0.15396E-03 4709 0.912E-02 0.375E-01 RMM: 5 -0.360404583812E+03 0.82093E-03 -0.47196E-04 4388 0.546E-02 0.159E-01 RMM: 6 -0.360404441217E+03 0.14260E-03 -0.14890E-04 3876 0.319E-02 0.693E-02 RMM: 7 -0.360404513746E+03 -0.72529E-04 -0.87123E-05 3740 0.245E-02 0.129E-01 RMM: 8 -0.360404409116E+03 0.10463E-03 -0.48087E-05 3230 0.205E-02 0.348E-02 RMM: 9 -0.360404407859E+03 0.12567E-05 -0.15656E-05 2495 0.112E-02 1315 T= 6463. E= 0.69888098E+03 F= 0.64541435E+03 E0= 0.67593409E+03 EK= 0.53467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362136237592E+03 -0.17318E+01 -0.18799E-01 8016 0.243E+01 0.322E-01 RMM: 2 -0.362151722408E+03 -0.15485E-01 -0.10116E-01 5251 0.707E-01 0.113E+00 RMM: 3 -0.362143115606E+03 0.86068E-02 -0.95452E-03 5526 0.205E-01 0.247E-01 RMM: 4 -0.362143670951E+03 -0.55534E-03 -0.17269E-03 4806 0.990E-02 0.402E-01 RMM: 5 -0.362142668078E+03 0.10029E-02 -0.55923E-04 4498 0.602E-02 0.128E-01 RMM: 6 -0.362142583665E+03 0.84413E-04 -0.11242E-04 3820 0.267E-02 0.722E-02 RMM: 7 -0.362142629084E+03 -0.45419E-04 -0.88462E-05 3822 0.243E-02 0.115E-01 RMM: 8 -0.362142546671E+03 0.82413E-04 -0.45627E-05 3191 0.201E-02 0.320E-02 RMM: 9 -0.362142548776E+03 -0.21054E-05 -0.13304E-05 2493 0.101E-02 1316 T= 6749. E= 0.69977717E+03 F= 0.64394276E+03 E0= 0.67450400E+03 EK= 0.55834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363991274431E+03 -0.18487E+01 -0.19476E-01 7932 0.248E+01 0.339E-01 RMM: 2 -0.364006405943E+03 -0.15132E-01 -0.94806E-02 5274 0.710E-01 0.118E+00 RMM: 3 -0.363997378007E+03 0.90279E-02 -0.97054E-03 5522 0.214E-01 0.257E-01 RMM: 4 -0.363997836946E+03 -0.45894E-03 -0.16925E-03 4744 0.967E-02 0.387E-01 RMM: 5 -0.363996988341E+03 0.84861E-03 -0.48026E-04 4335 0.549E-02 0.175E-01 RMM: 6 -0.363996802688E+03 0.18565E-03 -0.15544E-04 3880 0.330E-02 0.652E-02 RMM: 7 -0.363996870160E+03 -0.67471E-04 -0.88987E-05 3722 0.246E-02 0.125E-01 RMM: 8 -0.363996773386E+03 0.96774E-04 -0.50818E-05 3265 0.210E-02 0.376E-02 RMM: 9 -0.363996770405E+03 0.29807E-05 -0.15800E-05 2507 0.114E-02 1317 T= 6936. E= 0.69973088E+03 F= 0.64235159E+03 E0= 0.67295705E+03 EK= 0.57379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365871850906E+03 -0.18751E+01 -0.19660E-01 7644 0.250E+01 0.315E-01 RMM: 2 -0.365885355872E+03 -0.13505E-01 -0.84204E-02 5277 0.664E-01 0.110E+00 RMM: 3 -0.365877316339E+03 0.80395E-02 -0.78607E-03 5427 0.193E-01 0.239E-01 RMM: 4 -0.365877883125E+03 -0.56679E-03 -0.16291E-03 4737 0.968E-02 0.391E-01 RMM: 5 -0.365876960246E+03 0.92288E-03 -0.54254E-04 4535 0.597E-02 0.145E-01 RMM: 6 -0.365876845454E+03 0.11479E-03 -0.12090E-04 3863 0.278E-02 0.704E-02 RMM: 7 -0.365876903244E+03 -0.57790E-04 -0.94030E-05 3823 0.252E-02 0.121E-01 RMM: 8 -0.365876813440E+03 0.89804E-04 -0.46510E-05 3208 0.204E-02 0.346E-02 RMM: 9 -0.365876812218E+03 0.12217E-05 -0.12488E-05 2491 0.985E-03 1318 T= 6938. E= 0.69813070E+03 F= 0.64073392E+03 E0= 0.67138517E+03 EK= 0.57397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367712252036E+03 -0.18354E+01 -0.19610E-01 7632 0.248E+01 0.325E-01 RMM: 2 -0.367726796297E+03 -0.14544E-01 -0.78046E-02 5227 0.660E-01 0.122E+00 RMM: 3 -0.367717116609E+03 0.96797E-02 -0.83060E-03 5412 0.204E-01 0.238E-01 RMM: 4 -0.367717492909E+03 -0.37630E-03 -0.15192E-03 4705 0.922E-02 0.351E-01 RMM: 5 -0.367716849892E+03 0.64302E-03 -0.44085E-04 4388 0.539E-02 0.187E-01 RMM: 6 -0.367716643019E+03 0.20687E-03 -0.16739E-04 3880 0.341E-02 0.717E-02 RMM: 7 -0.367716720439E+03 -0.77420E-04 -0.10712E-04 3850 0.272E-02 0.132E-01 RMM: 8 -0.367716612993E+03 0.10745E-03 -0.54199E-05 3337 0.219E-02 0.335E-02 RMM: 9 -0.367716610796E+03 0.21969E-05 -0.12070E-05 2489 0.989E-03 1319 T= 6752. E= 0.69501800E+03 F= 0.63915924E+03 E0= 0.66985591E+03 EK= 0.55859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369481737979E+03 -0.17651E+01 -0.19145E-01 7392 0.243E+01 0.287E-01 RMM: 2 -0.369492729098E+03 -0.10991E-01 -0.72972E-02 5191 0.631E-01 0.974E-01 RMM: 3 -0.369486631199E+03 0.60979E-02 -0.69983E-03 5428 0.180E-01 0.241E-01 RMM: 4 -0.369486888572E+03 -0.25737E-03 -0.13420E-03 4704 0.888E-02 0.325E-01 RMM: 5 -0.369486263704E+03 0.62487E-03 -0.49951E-04 4529 0.585E-02 0.143E-01 RMM: 6 -0.369486176625E+03 0.87079E-04 -0.14303E-04 3880 0.311E-02 0.877E-02 RMM: 7 -0.369486226842E+03 -0.50217E-04 -0.86478E-05 3682 0.251E-02 0.124E-01 RMM: 8 -0.369486131874E+03 0.94968E-04 -0.43544E-05 3200 0.202E-02 0.322E-02 RMM: 9 -0.369486131349E+03 0.52554E-06 -0.10201E-05 2475 0.873E-03 1320 T= 6457. E= 0.69107977E+03 F= 0.63766032E+03 E0= 0.66840131E+03 EK= 0.53419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371177232004E+03 -0.16911E+01 -0.17726E-01 7548 0.237E+01 0.308E-01 RMM: 2 -0.371190872063E+03 -0.13640E-01 -0.64510E-02 5254 0.606E-01 0.123E+00 RMM: 3 -0.371181129132E+03 0.97429E-02 -0.69798E-03 5364 0.190E-01 0.235E-01 RMM: 4 -0.371181336062E+03 -0.20693E-03 -0.13297E-03 4646 0.864E-02 0.311E-01 RMM: 5 -0.371180897305E+03 0.43876E-03 -0.46150E-04 4514 0.565E-02 0.193E-01 RMM: 6 -0.371180684694E+03 0.21261E-03 -0.19030E-04 3885 0.363E-02 0.787E-02 RMM: 7 -0.371180759983E+03 -0.75289E-04 -0.10619E-04 3813 0.280E-02 0.133E-01 RMM: 8 -0.371180652952E+03 0.10703E-03 -0.50277E-05 3311 0.216E-02 0.351E-02 RMM: 9 -0.371180649885E+03 0.30661E-05 -0.98842E-06 2473 0.889E-03 1321 T= 6166. E= 0.68724906E+03 F= 0.63624293E+03 E0= 0.66702622E+03 EK= 0.51006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372800867386E+03 -0.16202E+01 -0.16605E-01 7644 0.232E+01 0.290E-01 RMM: 2 -0.372811270506E+03 -0.10403E-01 -0.56622E-02 5308 0.552E-01 0.104E+00 RMM: 3 -0.372804196030E+03 0.70745E-02 -0.54494E-03 5356 0.167E-01 0.236E-01 RMM: 4 -0.372804514020E+03 -0.31799E-03 -0.13455E-03 4628 0.885E-02 0.334E-01 RMM: 5 -0.372803915913E+03 0.59811E-03 -0.52349E-04 4558 0.606E-02 0.168E-01 RMM: 6 -0.372803765597E+03 0.15032E-03 -0.14338E-04 3871 0.311E-02 0.716E-02 RMM: 7 -0.372803820806E+03 -0.55209E-04 -0.81716E-05 3620 0.249E-02 0.116E-01 RMM: 8 -0.372803738850E+03 0.81956E-04 -0.39244E-05 3147 0.196E-02 0.314E-02 RMM: 9 -0.372803739191E+03 -0.34080E-06 -0.97968E-06 2470 0.869E-03 1322 T= 5970. E= 0.68428835E+03 F= 0.63490235E+03 E0= 0.66572583E+03 EK= 0.49386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374344883535E+03 -0.15411E+01 -0.15980E-01 8100 0.229E+01 0.313E-01 RMM: 2 -0.374356880672E+03 -0.11997E-01 -0.57436E-02 5321 0.560E-01 0.118E+00 RMM: 3 -0.374348006628E+03 0.88740E-02 -0.61492E-03 5349 0.181E-01 0.230E-01 RMM: 4 -0.374348429350E+03 -0.42272E-03 -0.14148E-03 4633 0.889E-02 0.353E-01 RMM: 5 -0.374347780500E+03 0.64885E-03 -0.43475E-04 4365 0.538E-02 0.179E-01 RMM: 6 -0.374347590110E+03 0.19039E-03 -0.14943E-04 3870 0.325E-02 0.643E-02 RMM: 7 -0.374347648163E+03 -0.58053E-04 -0.81304E-05 3612 0.244E-02 0.114E-01 RMM: 8 -0.374347569259E+03 0.78904E-04 -0.40693E-05 3144 0.200E-02 0.292E-02 RMM: 9 -0.374347569242E+03 0.16698E-07 -0.98781E-06 2463 0.884E-03 1323 T= 5920. E= 0.68261513E+03 F= 0.63364334E+03 E0= 0.66450392E+03 EK= 0.48972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375782310375E+03 -0.14347E+01 -0.15682E-01 8532 0.229E+01 0.309E-01 RMM: 2 -0.375793248238E+03 -0.10938E-01 -0.59251E-02 5339 0.556E-01 0.108E+00 RMM: 3 -0.375785682743E+03 0.75655E-02 -0.60024E-03 5375 0.176E-01 0.246E-01 RMM: 4 -0.375786265110E+03 -0.58237E-03 -0.16156E-03 4635 0.968E-02 0.393E-01 RMM: 5 -0.375785335057E+03 0.93005E-03 -0.54190E-04 4507 0.598E-02 0.136E-01 RMM: 6 -0.375785232902E+03 0.10216E-03 -0.98649E-05 3781 0.258E-02 0.589E-02 RMM: 7 -0.375785279699E+03 -0.46798E-04 -0.62163E-05 3409 0.209E-02 0.105E-01 RMM: 8 -0.375785213459E+03 0.66241E-04 -0.36019E-05 3011 0.191E-02 0.275E-02 RMM: 9 -0.375785216940E+03 -0.34809E-05 -0.10386E-05 2474 0.885E-03 1324 T= 6022. E= 0.68230280E+03 F= 0.63248879E+03 E0= 0.66338300E+03 EK= 0.49814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377070171288E+03 -0.12850E+01 -0.15867E-01 8856 0.231E+01 0.318E-01 RMM: 2 -0.377079707938E+03 -0.95366E-02 -0.64962E-02 5387 0.582E-01 0.960E-01 RMM: 3 -0.377073924060E+03 0.57839E-02 -0.63113E-03 5346 0.178E-01 0.240E-01 RMM: 4 -0.377074629423E+03 -0.70536E-03 -0.14617E-03 4619 0.906E-02 0.413E-01 RMM: 5 -0.377073583628E+03 0.10458E-02 -0.49407E-04 4377 0.565E-02 0.136E-01 RMM: 6 -0.377073478333E+03 0.10530E-03 -0.10716E-04 3844 0.270E-02 0.609E-02 RMM: 7 -0.377073519968E+03 -0.41635E-04 -0.58588E-05 3375 0.206E-02 0.103E-01 RMM: 8 -0.377073455744E+03 0.64224E-04 -0.36917E-05 3007 0.188E-02 0.276E-02 RMM: 9 -0.377073461289E+03 -0.55445E-05 -0.14049E-05 2486 0.104E-02 1325 T= 6241. E= 0.68311130E+03 F= 0.63147827E+03 E0= 0.66240102E+03 EK= 0.51633E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378158491899E+03 -0.10850E+01 -0.16264E-01 9012 0.235E+01 0.311E-01 RMM: 2 -0.378168277800E+03 -0.97859E-02 -0.69535E-02 5395 0.598E-01 0.926E-01 RMM: 3 -0.378162762816E+03 0.55150E-02 -0.62836E-03 5374 0.175E-01 0.249E-01 RMM: 4 -0.378163464475E+03 -0.70166E-03 -0.15344E-03 4612 0.945E-02 0.419E-01 RMM: 5 -0.378162358253E+03 0.11062E-02 -0.55104E-04 4476 0.595E-02 0.112E-01 RMM: 6 -0.378162293261E+03 0.64992E-04 -0.78204E-05 3611 0.228E-02 0.577E-02 RMM: 7 -0.378162322959E+03 -0.29699E-04 -0.53859E-05 3290 0.194E-02 0.945E-02 RMM: 8 -0.378162270233E+03 0.52726E-04 -0.35621E-05 2940 0.186E-02 0.265E-02 RMM: 9 -0.378162280136E+03 -0.99026E-05 -0.14916E-05 2498 0.108E-02 1326 T= 6509. E= 0.68450526E+03 F= 0.63065957E+03 E0= 0.66160494E+03 EK= 0.53846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379004270098E+03 -0.84200E+00 -0.16648E-01 8856 0.239E+01 0.313E-01 RMM: 2 -0.379014643491E+03 -0.10373E-01 -0.74398E-02 5376 0.620E-01 0.957E-01 RMM: 3 -0.379008839530E+03 0.58040E-02 -0.67733E-03 5436 0.180E-01 0.227E-01 RMM: 4 -0.379009515084E+03 -0.67555E-03 -0.14330E-03 4625 0.901E-02 0.405E-01 RMM: 5 -0.379008509923E+03 0.10052E-02 -0.48043E-04 4341 0.555E-02 0.130E-01 RMM: 6 -0.379008414275E+03 0.95648E-04 -0.97586E-05 3772 0.258E-02 0.586E-02 RMM: 7 -0.379008454690E+03 -0.40415E-04 -0.59883E-05 3412 0.206E-02 0.102E-01 RMM: 8 -0.379008391363E+03 0.63327E-04 -0.38443E-05 3022 0.187E-02 0.278E-02 RMM: 9 -0.379008396780E+03 -0.54171E-05 -0.15154E-05 2495 0.108E-02 1327 T= 6729. E= 0.68574506E+03 F= 0.63007565E+03 E0= 0.66103589E+03 EK= 0.55669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379586475096E+03 -0.57808E+00 -0.16851E-01 8508 0.241E+01 0.289E-01 RMM: 2 -0.379596771116E+03 -0.10296E-01 -0.73126E-02 5410 0.601E-01 0.917E-01 RMM: 3 -0.379591054558E+03 0.57166E-02 -0.57313E-03 5467 0.164E-01 0.213E-01 RMM: 4 -0.379591664460E+03 -0.60990E-03 -0.13292E-03 4622 0.880E-02 0.385E-01 RMM: 5 -0.379590750711E+03 0.91375E-03 -0.45920E-04 4180 0.540E-02 0.117E-01 RMM: 6 -0.379590680448E+03 0.70262E-04 -0.88101E-05 3678 0.250E-02 0.609E-02 RMM: 7 -0.379590724464E+03 -0.44016E-04 -0.65870E-05 3486 0.212E-02 0.106E-01 RMM: 8 -0.379590656619E+03 0.67845E-04 -0.39663E-05 3077 0.194E-02 0.264E-02 RMM: 9 -0.379590659623E+03 -0.30042E-05 -0.12034E-05 2473 0.964E-03 1328 T= 6817. E= 0.68614431E+03 F= 0.62974908E+03 E0= 0.66071623E+03 EK= 0.56395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379917119872E+03 -0.32646E+00 -0.16735E-01 8268 0.240E+01 0.277E-01 RMM: 2 -0.379928026979E+03 -0.10907E-01 -0.74362E-02 5392 0.604E-01 0.943E-01 RMM: 3 -0.379921870142E+03 0.61568E-02 -0.57943E-03 5501 0.164E-01 0.197E-01 RMM: 4 -0.379922290613E+03 -0.42047E-03 -0.11836E-03 4637 0.827E-02 0.335E-01 RMM: 5 -0.379921639151E+03 0.65146E-03 -0.37104E-04 3946 0.492E-02 0.139E-01 RMM: 6 -0.379921535215E+03 0.10394E-03 -0.11623E-04 3865 0.297E-02 0.654E-02 RMM: 7 -0.379921598009E+03 -0.62795E-04 -0.75119E-05 3569 0.229E-02 0.120E-01 RMM: 8 -0.379921509893E+03 0.88116E-04 -0.42180E-05 3124 0.201E-02 0.260E-02 RMM: 9 -0.379921511043E+03 -0.11504E-05 -0.10428E-05 2467 0.890E-03 1329 T= 6738. E= 0.68541437E+03 F= 0.62966968E+03 E0= 0.66063573E+03 EK= 0.55745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380042193083E+03 -0.12068E+00 -0.16261E-01 7980 0.236E+01 0.262E-01 RMM: 2 -0.380054458120E+03 -0.12265E-01 -0.74376E-02 5375 0.608E-01 0.103E+00 RMM: 3 -0.380047175904E+03 0.72822E-02 -0.59791E-03 5443 0.169E-01 0.191E-01 RMM: 4 -0.380047399018E+03 -0.22311E-03 -0.10838E-03 4635 0.790E-02 0.283E-01 RMM: 5 -0.380046957116E+03 0.44190E-03 -0.36051E-04 4050 0.501E-02 0.139E-01 RMM: 6 -0.380046863392E+03 0.93725E-04 -0.12700E-04 3876 0.308E-02 0.761E-02 RMM: 7 -0.380046916509E+03 -0.53117E-04 -0.77293E-05 3605 0.239E-02 0.118E-01 RMM: 8 -0.380046830513E+03 0.85996E-04 -0.39860E-05 3120 0.198E-02 0.277E-02 RMM: 9 -0.380046831158E+03 -0.64468E-06 -0.93004E-06 2461 0.843E-03 1330 T= 6531. E= 0.68382569E+03 F= 0.62979373E+03 E0= 0.66075227E+03 EK= 0.54032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380027574403E+03 0.19256E-01 -0.15643E-01 7872 0.232E+01 0.240E-01 RMM: 2 -0.380037670019E+03 -0.10096E-01 -0.72837E-02 5346 0.604E-01 0.834E-01 RMM: 3 -0.380032709231E+03 0.49608E-02 -0.55810E-03 5435 0.162E-01 0.190E-01 RMM: 4 -0.380032845429E+03 -0.13620E-03 -0.87994E-04 4629 0.709E-02 0.257E-01 RMM: 5 -0.380032491634E+03 0.35379E-03 -0.34779E-04 4158 0.502E-02 0.139E-01 RMM: 6 -0.380032415586E+03 0.76049E-04 -0.14630E-04 3880 0.326E-02 0.897E-02 RMM: 7 -0.380032459162E+03 -0.43576E-04 -0.79971E-05 3621 0.250E-02 0.123E-01 RMM: 8 -0.380032367240E+03 0.91922E-04 -0.40846E-05 3154 0.195E-02 0.270E-02 RMM: 9 -0.380032370480E+03 -0.32405E-05 -0.12185E-05 2467 0.982E-03 1331 T= 6283. E= 0.68203360E+03 F= 0.63005652E+03 E0= 0.66100279E+03 EK= 0.51977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379940661616E+03 0.91706E-01 -0.15083E-01 7764 0.228E+01 0.230E-01 RMM: 2 -0.379950569849E+03 -0.99082E-02 -0.73408E-02 5281 0.617E-01 0.811E-01 RMM: 3 -0.379945994516E+03 0.45753E-02 -0.60222E-03 5547 0.161E-01 0.181E-01 RMM: 4 -0.379946053363E+03 -0.58847E-04 -0.80050E-04 4635 0.683E-02 0.237E-01 RMM: 5 -0.379945719374E+03 0.33399E-03 -0.35026E-04 4291 0.516E-02 0.106E-01 RMM: 6 -0.379945726258E+03 -0.68835E-05 -0.12145E-04 3867 0.290E-02 1332 T= 6086. E= 0.68073465E+03 F= 0.63038999E+03 E0= 0.66132095E+03 EK= 0.50345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379835497414E+03 0.11022E+00 -0.14200E-01 7380 0.226E+01 0.347E-01 RMM: 2 -0.379858088435E+03 -0.22591E-01 -0.74051E-02 5234 0.634E-01 0.165E+00 RMM: 3 -0.379840410227E+03 0.17678E-01 -0.10932E-02 5331 0.248E-01 0.296E-01 RMM: 4 -0.379840098499E+03 0.31173E-03 -0.13817E-03 4701 0.800E-02 0.227E-01 RMM: 5 -0.379839952670E+03 0.14583E-03 -0.58185E-04 4604 0.653E-02 0.203E-01 RMM: 6 -0.379839756058E+03 0.19661E-03 -0.28265E-04 3900 0.444E-02 0.106E-01 RMM: 7 -0.379839846356E+03 -0.90297E-04 -0.13626E-04 3880 0.326E-02 0.159E-01 RMM: 8 -0.379839695998E+03 0.15036E-03 -0.80506E-05 3606 0.261E-02 0.488E-02 RMM: 9 -0.379839692224E+03 0.37736E-05 -0.18739E-05 2561 0.126E-02 1333 T= 6005. E= 0.68041440E+03 F= 0.63073937E+03 E0= 0.66165480E+03 EK= 0.49675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379742980750E+03 0.96715E-01 -0.13621E-01 7188 0.226E+01 0.348E-01 RMM: 2 -0.379768250101E+03 -0.25269E-01 -0.65993E-02 5220 0.620E-01 0.182E+00 RMM: 3 -0.379746994493E+03 0.21256E-01 -0.11278E-02 5326 0.264E-01 0.343E-01 RMM: 4 -0.379746326246E+03 0.66825E-03 -0.15726E-03 4736 0.872E-02 0.165E-01 RMM: 5 -0.379746391285E+03 -0.65039E-04 -0.28862E-04 3993 0.448E-02 0.204E-01 RMM: 6 -0.379746125274E+03 0.26601E-03 -0.12155E-04 3861 0.318E-02 0.444E-02 RMM: 7 -0.379746150177E+03 -0.24903E-04 -0.46333E-05 3170 0.186E-02 0.796E-02 RMM: 8 -0.379746115909E+03 0.34268E-04 -0.26426E-05 2667 0.173E-02 0.311E-02 RMM: 9 -0.379746110925E+03 0.49841E-05 -0.67834E-06 2443 0.792E-03 1334 T= 6067. E= 0.68125757E+03 F= 0.63107022E+03 E0= 0.66196956E+03 EK= 0.50187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379670418841E+03 0.75697E-01 -0.14044E-01 7404 0.229E+01 0.293E-01 RMM: 2 -0.379685134850E+03 -0.14716E-01 -0.64491E-02 5122 0.610E-01 0.126E+00 RMM: 3 -0.379674735851E+03 0.10399E-01 -0.79261E-03 5336 0.207E-01 0.233E-01 RMM: 4 -0.379674794750E+03 -0.58898E-04 -0.12228E-03 4654 0.801E-02 0.267E-01 RMM: 5 -0.379674420211E+03 0.37454E-03 -0.34422E-04 4192 0.487E-02 0.148E-01 RMM: 6 -0.379674302641E+03 0.11757E-03 -0.10934E-04 3821 0.287E-02 0.663E-02 RMM: 7 -0.379674353630E+03 -0.50989E-04 -0.82967E-05 3649 0.245E-02 0.113E-01 RMM: 8 -0.379674276020E+03 0.77610E-04 -0.43622E-05 3180 0.206E-02 0.348E-02 RMM: 9 -0.379674272882E+03 0.31381E-05 -0.11150E-05 2473 0.940E-03 1335 T= 6257. E= 0.68313437E+03 F= 0.63137081E+03 E0= 0.66225453E+03 EK= 0.51764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379609648504E+03 0.64628E-01 -0.14619E-01 7512 0.233E+01 0.302E-01 RMM: 2 -0.379625350125E+03 -0.15702E-01 -0.66759E-02 5123 0.641E-01 0.135E+00 RMM: 3 -0.379613799720E+03 0.11550E-01 -0.83166E-03 5351 0.215E-01 0.201E-01 RMM: 4 -0.379614088012E+03 -0.28829E-03 -0.12195E-03 4635 0.798E-02 0.303E-01 RMM: 5 -0.379613608484E+03 0.47953E-03 -0.29312E-04 4005 0.440E-02 0.146E-01 RMM: 6 -0.379613479042E+03 0.12944E-03 -0.94752E-05 3642 0.277E-02 0.474E-02 RMM: 7 -0.379613515296E+03 -0.36254E-04 -0.47411E-05 3190 0.190E-02 0.904E-02 RMM: 8 -0.379613466603E+03 0.48693E-04 -0.30687E-05 2820 0.178E-02 0.222E-02 RMM: 9 -0.379613469553E+03 -0.29500E-05 -0.99453E-06 2453 0.894E-03 1336 T= 6521. E= 0.68559287E+03 F= 0.63165049E+03 E0= 0.66251846E+03 EK= 0.53942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379536681499E+03 0.76785E-01 -0.15609E-01 7524 0.238E+01 0.255E-01 RMM: 2 -0.379545438667E+03 -0.87572E-02 -0.64175E-02 5207 0.618E-01 0.817E-01 RMM: 3 -0.379541154628E+03 0.42840E-02 -0.59559E-03 5370 0.169E-01 0.204E-01 RMM: 4 -0.379541456613E+03 -0.30198E-03 -0.10372E-03 4614 0.774E-02 0.306E-01 RMM: 5 -0.379540870888E+03 0.58572E-03 -0.32286E-04 3996 0.461E-02 0.971E-02 RMM: 6 -0.379540823062E+03 0.47826E-04 -0.59943E-05 3367 0.222E-02 0.531E-02 RMM: 7 -0.379540850990E+03 -0.27928E-04 -0.46868E-05 3137 0.190E-02 0.891E-02 RMM: 8 -0.379540802034E+03 0.48956E-04 -0.30609E-05 2793 0.174E-02 0.232E-02 RMM: 9 -0.379540805311E+03 -0.32773E-05 -0.10494E-05 2456 0.888E-03 1337 T= 6766. E= 0.68790789E+03 F= 0.63193233E+03 E0= 0.66278435E+03 EK= 0.55976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379426129900E+03 0.11467E+00 -0.16142E-01 7392 0.241E+01 0.279E-01 RMM: 2 -0.379437873138E+03 -0.11743E-01 -0.66432E-02 5240 0.645E-01 0.108E+00 RMM: 3 -0.379430398624E+03 0.74745E-02 -0.67035E-03 5372 0.187E-01 0.177E-01 RMM: 4 -0.379430831512E+03 -0.43289E-03 -0.10727E-03 4611 0.779E-02 0.324E-01 RMM: 5 -0.379430210592E+03 0.62092E-03 -0.29523E-04 3990 0.444E-02 0.117E-01 RMM: 6 -0.379430129484E+03 0.81107E-04 -0.71301E-05 3466 0.240E-02 0.474E-02 RMM: 7 -0.379430160677E+03 -0.31193E-04 -0.44855E-05 3109 0.184E-02 0.891E-02 RMM: 8 -0.379430112335E+03 0.48342E-04 -0.33801E-05 2855 0.182E-02 0.228E-02 RMM: 9 -0.379430116472E+03 -0.41370E-05 -0.11616E-05 2458 0.954E-03 1338 T= 6897. E= 0.68930014E+03 F= 0.63224401E+03 E0= 0.66307982E+03 EK= 0.57056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379254009900E+03 0.17610E+00 -0.16083E-01 7476 0.242E+01 0.245E-01 RMM: 2 -0.379262525409E+03 -0.85155E-02 -0.65093E-02 5159 0.632E-01 0.788E-01 RMM: 3 -0.379258579413E+03 0.39460E-02 -0.60211E-03 5460 0.167E-01 0.175E-01 RMM: 4 -0.379258901753E+03 -0.32234E-03 -0.90821E-04 4620 0.741E-02 0.297E-01 RMM: 5 -0.379258362255E+03 0.53950E-03 -0.28938E-04 3979 0.440E-02 0.100E-01 RMM: 6 -0.379258310284E+03 0.51970E-04 -0.65872E-05 3422 0.233E-02 0.517E-02 RMM: 7 -0.379258341094E+03 -0.30810E-04 -0.38040E-05 2881 0.176E-02 0.896E-02 RMM: 8 -0.379258291956E+03 0.49138E-04 -0.27501E-05 2614 0.165E-02 0.211E-02 RMM: 9 -0.379258296387E+03 -0.44309E-05 -0.10557E-05 2453 0.898E-03 1339 T= 6854. E= 0.68931213E+03 F= 0.63261095E+03 E0= 0.66343066E+03 EK= 0.56701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379006033161E+03 0.25226E+00 -0.15755E-01 7380 0.239E+01 0.237E-01 RMM: 2 -0.379015418701E+03 -0.93855E-02 -0.64355E-02 5081 0.622E-01 0.862E-01 RMM: 3 -0.379010544746E+03 0.48740E-02 -0.62926E-03 5462 0.171E-01 0.145E-01 RMM: 4 -0.379010897596E+03 -0.35285E-03 -0.82772E-04 4629 0.709E-02 0.288E-01 RMM: 5 -0.379010395030E+03 0.50257E-03 -0.25167E-04 3934 0.419E-02 0.998E-02 RMM: 6 -0.379010344455E+03 0.50575E-04 -0.65135E-05 3422 0.230E-02 0.554E-02 RMM: 7 -0.379010372043E+03 -0.27587E-04 -0.45601E-05 3116 0.190E-02 0.881E-02 RMM: 8 -0.379010324738E+03 0.47305E-04 -0.29469E-05 2794 0.175E-02 0.186E-02 RMM: 9 -0.379010330279E+03 -0.55407E-05 -0.96080E-06 2446 0.848E-03 1340 T= 6653. E= 0.68808792E+03 F= 0.63305044E+03 E0= 0.66385511E+03 EK= 0.55037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378677623346E+03 0.33270E+00 -0.15130E-01 7608 0.234E+01 0.212E-01 RMM: 2 -0.378685203649E+03 -0.75803E-02 -0.60731E-02 4979 0.598E-01 0.690E-01 RMM: 3 -0.378682048775E+03 0.31549E-02 -0.59564E-03 5501 0.164E-01 0.150E-01 RMM: 4 -0.378682265295E+03 -0.21652E-03 -0.69852E-04 4624 0.660E-02 0.253E-01 RMM: 5 -0.378681882930E+03 0.38236E-03 -0.23473E-04 3904 0.408E-02 0.990E-02 RMM: 6 -0.378681841738E+03 0.41192E-04 -0.79776E-05 3568 0.255E-02 0.632E-02 RMM: 7 -0.378681866157E+03 -0.24420E-04 -0.39068E-05 2948 0.188E-02 0.884E-02 RMM: 8 -0.378681817660E+03 0.48497E-04 -0.23055E-05 2582 0.156E-02 0.192E-02 RMM: 9 -0.378681822036E+03 -0.43756E-05 -0.90102E-06 2445 0.824E-03 1341 T= 6373. E= 0.68629258E+03 F= 0.63356832E+03 E0= 0.66435979E+03 EK= 0.52724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378267148532E+03 0.41467E+00 -0.14326E-01 7476 0.229E+01 0.199E-01 RMM: 2 -0.378274250948E+03 -0.71024E-02 -0.56761E-02 5007 0.573E-01 0.664E-01 RMM: 3 -0.378271276136E+03 0.29748E-02 -0.53910E-03 5507 0.155E-01 0.134E-01 RMM: 4 -0.378271464519E+03 -0.18838E-03 -0.62473E-04 4625 0.629E-02 0.235E-01 RMM: 5 -0.378271134684E+03 0.32983E-03 -0.21500E-04 3896 0.396E-02 0.946E-02 RMM: 6 -0.378271100120E+03 0.34564E-04 -0.71210E-05 3495 0.240E-02 0.653E-02 RMM: 7 -0.378271119119E+03 -0.18999E-04 -0.44164E-05 3104 0.195E-02 1342 T= 6115. E= 0.68475347E+03 F= 0.63416637E+03 E0= 0.66494768E+03 EK= 0.50587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377767555272E+03 0.50354E+00 -0.13688E-01 7440 0.226E+01 0.208E-01 RMM: 2 -0.377773796391E+03 -0.62411E-02 -0.52316E-02 5190 0.547E-01 0.620E-01 RMM: 3 -0.377771257206E+03 0.25392E-02 -0.45539E-03 5500 0.143E-01 0.163E-01 RMM: 4 -0.377771396718E+03 -0.13951E-03 -0.58522E-04 4613 0.591E-02 0.238E-01 RMM: 5 -0.377771044274E+03 0.35244E-03 -0.22843E-04 3905 0.399E-02 0.863E-02 RMM: 6 -0.377771046839E+03 -0.25653E-05 -0.77640E-05 3561 0.243E-02 1343 T= 5957. E= 0.68413314E+03 F= 0.63485059E+03 E0= 0.66562339E+03 EK= 0.49283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377164265211E+03 0.60678E+00 -0.13494E-01 7332 0.224E+01 0.307E-01 RMM: 2 -0.377183246512E+03 -0.18981E-01 -0.56144E-02 5282 0.574E-01 0.154E+00 RMM: 3 -0.377167648683E+03 0.15598E-01 -0.92258E-03 5339 0.233E-01 0.234E-01 RMM: 4 -0.377167424215E+03 0.22447E-03 -0.10360E-03 4617 0.677E-02 0.171E-01 RMM: 5 -0.377167390691E+03 0.33523E-04 -0.22992E-04 3917 0.400E-02 0.172E-01 RMM: 6 -0.377167215052E+03 0.17564E-03 -0.12905E-04 3862 0.324E-02 0.528E-02 RMM: 7 -0.377167260960E+03 -0.45908E-04 -0.56314E-05 3317 0.206E-02 0.992E-02 RMM: 8 -0.377167208755E+03 0.52206E-04 -0.31016E-05 2831 0.182E-02 0.388E-02 RMM: 9 -0.377167201879E+03 0.68757E-05 -0.11049E-05 2460 0.983E-03 1344 T= 5942. E= 0.68479200E+03 F= 0.63563330E+03 E0= 0.66640159E+03 EK= 0.49159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376436021909E+03 0.73119E+00 -0.13673E-01 7404 0.225E+01 0.277E-01 RMM: 2 -0.376451871840E+03 -0.15850E-01 -0.55353E-02 5251 0.560E-01 0.137E+00 RMM: 3 -0.376439645281E+03 0.12227E-01 -0.78933E-03 5335 0.214E-01 0.280E-01 RMM: 4 -0.376439250569E+03 0.39471E-03 -0.10911E-03 4629 0.732E-02 0.164E-01 RMM: 5 -0.376439198847E+03 0.51722E-04 -0.20699E-04 3909 0.392E-02 0.153E-01 RMM: 6 -0.376439047468E+03 0.15138E-03 -0.71951E-05 3509 0.251E-02 0.348E-02 RMM: 7 -0.376439067406E+03 -0.19938E-04 -0.33163E-05 2866 0.161E-02 1345 T= 6074. E= 0.68677840E+03 F= 0.63653285E+03 E0= 0.66729785E+03 EK= 0.50246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375561608390E+03 0.87744E+00 -0.14169E-01 7464 0.228E+01 0.253E-01 RMM: 2 -0.375574561921E+03 -0.12954E-01 -0.57303E-02 5325 0.566E-01 0.119E+00 RMM: 3 -0.375565463751E+03 0.90982E-02 -0.61769E-03 5374 0.179E-01 0.191E-01 RMM: 4 -0.375565470161E+03 -0.64094E-05 -0.84067E-04 4617 0.641E-02 0.210E-01 RMM: 5 -0.375565242185E+03 0.22798E-03 -0.18940E-04 3895 0.347E-02 0.119E-01 RMM: 6 -0.375565161823E+03 0.80361E-04 -0.81089E-05 3550 0.257E-02 0.498E-02 RMM: 7 -0.375565206591E+03 -0.44768E-04 -0.45790E-05 3116 0.183E-02 0.101E-01 RMM: 8 -0.375565146015E+03 0.60576E-04 -0.31654E-05 2731 0.179E-02 0.280E-02 RMM: 9 -0.375565145241E+03 0.77347E-06 -0.10930E-05 2451 0.931E-03 1346 T= 6317. E= 0.68982528E+03 F= 0.63756918E+03 E0= 0.66833133E+03 EK= 0.52256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374535149882E+03 0.10300E+01 -0.14676E-01 7344 0.233E+01 0.223E-01 RMM: 2 -0.374544234191E+03 -0.90843E-02 -0.61105E-02 5311 0.595E-01 0.867E-01 RMM: 3 -0.374539410529E+03 0.48237E-02 -0.55311E-03 5453 0.161E-01 0.176E-01 RMM: 4 -0.374539462192E+03 -0.51663E-04 -0.75031E-04 4614 0.641E-02 0.215E-01 RMM: 5 -0.374539210110E+03 0.25208E-03 -0.18873E-04 3880 0.349E-02 0.113E-01 RMM: 6 -0.374539132691E+03 0.77419E-04 -0.60105E-05 3373 0.227E-02 0.396E-02 RMM: 7 -0.374539152083E+03 -0.19392E-04 -0.32044E-05 2722 0.162E-02 1347 T= 6599. E= 0.69334273E+03 F= 0.63874814E+03 E0= 0.66950722E+03 EK= 0.54595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373382746483E+03 0.11564E+01 -0.14982E-01 7560 0.237E+01 0.228E-01 RMM: 2 -0.373392489499E+03 -0.97430E-02 -0.65573E-02 5305 0.620E-01 0.887E-01 RMM: 3 -0.373387495436E+03 0.49941E-02 -0.61181E-03 5413 0.169E-01 0.175E-01 RMM: 4 -0.373387487773E+03 0.76633E-05 -0.71126E-04 4612 0.607E-02 0.194E-01 RMM: 5 -0.373387260777E+03 0.22700E-03 -0.15892E-04 3888 0.315E-02 0.903E-02 RMM: 6 -0.373387223290E+03 0.37487E-04 -0.52763E-05 3250 0.211E-02 0.536E-02 RMM: 7 -0.373387250049E+03 -0.26759E-04 -0.46363E-05 3107 0.183E-02 0.895E-02 RMM: 8 -0.373387204220E+03 0.45829E-04 -0.33663E-05 2805 0.180E-02 0.298E-02 RMM: 9 -0.373387203538E+03 0.68252E-06 -0.11262E-05 2453 0.945E-03 1348 T= 6826. E= 0.69651325E+03 F= 0.64004436E+03 E0= 0.67079859E+03 EK= 0.56469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372175494105E+03 0.12117E+01 -0.15376E-01 7392 0.239E+01 0.239E-01 RMM: 2 -0.372187582413E+03 -0.12088E-01 -0.72781E-02 5255 0.657E-01 0.103E+00 RMM: 3 -0.372180792914E+03 0.67895E-02 -0.70043E-03 5425 0.182E-01 0.194E-01 RMM: 4 -0.372180709875E+03 0.83039E-04 -0.85278E-04 4614 0.676E-02 0.190E-01 RMM: 5 -0.372180534547E+03 0.17533E-03 -0.19140E-04 3881 0.353E-02 0.122E-01 RMM: 6 -0.372180442988E+03 0.91560E-04 -0.78704E-05 3547 0.260E-02 0.406E-02 RMM: 7 -0.372180465522E+03 -0.22534E-04 -0.32343E-05 2749 0.161E-02 0.781E-02 RMM: 8 -0.372180427440E+03 0.38082E-04 -0.32410E-05 2606 0.170E-02 0.279E-02 RMM: 9 -0.372180424649E+03 0.27905E-05 -0.10158E-05 2443 0.909E-03 1349 T= 6912. E= 0.69857288E+03 F= 0.64138830E+03 E0= 0.67213526E+03 EK= 0.57185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371030791029E+03 0.11496E+01 -0.15296E-01 7296 0.238E+01 0.203E-01 RMM: 2 -0.371040855623E+03 -0.10065E-01 -0.68337E-02 5289 0.633E-01 0.869E-01 RMM: 3 -0.371035991226E+03 0.48644E-02 -0.58449E-03 5531 0.159E-01 0.158E-01 RMM: 4 -0.371035950691E+03 0.40535E-04 -0.61017E-04 4596 0.588E-02 0.169E-01 RMM: 5 -0.371035777258E+03 0.17343E-03 -0.14144E-04 3883 0.309E-02 0.855E-02 RMM: 6 -0.371035744967E+03 0.32290E-04 -0.47294E-05 3207 0.200E-02 0.567E-02 RMM: 7 -0.371035770379E+03 -0.25411E-04 -0.55322E-05 3363 0.203E-02 0.886E-02 RMM: 8 -0.371035722228E+03 0.48150E-04 -0.29891E-05 2799 0.167E-02 0.260E-02 RMM: 9 -0.371035721545E+03 0.68307E-06 -0.10443E-05 2448 0.897E-03 1350 T= 6832. E= 0.69918426E+03 F= 0.64266496E+03 E0= 0.67340146E+03 EK= 0.56519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370088701567E+03 0.94702E+00 -0.15176E-01 7320 0.235E+01 0.236E-01 RMM: 2 -0.370102465147E+03 -0.13764E-01 -0.74348E-02 5139 0.678E-01 0.112E+00 RMM: 3 -0.370094360699E+03 0.81044E-02 -0.79365E-03 5400 0.197E-01 0.212E-01 RMM: 4 -0.370094137044E+03 0.22365E-03 -0.80217E-04 4612 0.647E-02 0.137E-01 RMM: 5 -0.370094051112E+03 0.85932E-04 -0.15594E-04 3881 0.329E-02 0.108E-01 RMM: 6 -0.370093989786E+03 0.61326E-04 -0.64258E-05 3426 0.233E-02 0.538E-02 RMM: 7 -0.370094020204E+03 -0.30418E-04 -0.48537E-05 3158 0.196E-02 0.895E-02 RMM: 8 -0.370093972902E+03 0.47302E-04 -0.36106E-05 2866 0.184E-02 0.333E-02 RMM: 9 -0.370093968486E+03 0.44160E-05 -0.11218E-05 2451 0.964E-03 1351 T= 6632. E= 0.69860007E+03 F= 0.64373514E+03 E0= 0.67445778E+03 EK= 0.54865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369480650429E+03 0.61332E+00 -0.14742E-01 7392 0.231E+01 0.191E-01 RMM: 2 -0.369492082951E+03 -0.11433E-01 -0.70843E-02 5116 0.644E-01 0.938E-01 RMM: 3 -0.369486296906E+03 0.57860E-02 -0.68390E-03 5437 0.175E-01 0.152E-01 RMM: 4 -0.369486239985E+03 0.56921E-04 -0.58533E-04 4608 0.564E-02 0.144E-01 RMM: 5 -0.369486117632E+03 0.12235E-03 -0.13223E-04 3869 0.311E-02 0.850E-02 RMM: 6 -0.369486089444E+03 0.28189E-04 -0.51855E-05 3244 0.205E-02 0.634E-02 RMM: 7 -0.369486115587E+03 -0.26144E-04 -0.59347E-05 3457 0.214E-02 0.909E-02 RMM: 8 -0.369486064756E+03 0.50831E-04 -0.32248E-05 2887 0.175E-02 0.255E-02 RMM: 9 -0.369486064206E+03 0.55022E-06 -0.94018E-06 2444 0.856E-03 1352 T= 6406. E= 0.69746058E+03 F= 0.64446891E+03 E0= 0.67517449E+03 EK= 0.52992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369297717322E+03 0.18835E+00 -0.14062E-01 7428 0.227E+01 0.183E-01 RMM: 2 -0.369307050755E+03 -0.93334E-02 -0.61621E-02 5171 0.600E-01 0.826E-01 RMM: 3 -0.369302541621E+03 0.45091E-02 -0.55489E-03 5407 0.159E-01 0.156E-01 RMM: 4 -0.369302477552E+03 0.64069E-04 -0.52647E-04 4608 0.545E-02 0.140E-01 RMM: 5 -0.369302367494E+03 0.11006E-03 -0.11894E-04 3864 0.291E-02 0.890E-02 RMM: 6 -0.369302329331E+03 0.38164E-04 -0.49215E-05 3231 0.206E-02 0.519E-02 RMM: 7 -0.369302356406E+03 -0.27075E-04 -0.41744E-05 3032 0.184E-02 0.850E-02 RMM: 8 -0.369302312991E+03 0.43416E-04 -0.28258E-05 2712 0.167E-02 0.253E-02 RMM: 9 -0.369302311338E+03 0.16527E-05 -0.83756E-06 2438 0.805E-03 1353 T= 6244. E= 0.69642884E+03 F= 0.64477617E+03 E0= 0.67546158E+03 EK= 0.51653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369571738277E+03 -0.26943E+00 -0.13868E-01 7560 0.226E+01 0.177E-01 RMM: 2 -0.369580256034E+03 -0.85178E-02 -0.57612E-02 5164 0.575E-01 0.780E-01 RMM: 3 -0.369576207567E+03 0.40485E-02 -0.51324E-03 5384 0.153E-01 0.141E-01 RMM: 4 -0.369576216018E+03 -0.84509E-05 -0.50673E-04 4593 0.528E-02 0.156E-01 RMM: 5 -0.369576076123E+03 0.13990E-03 -0.11879E-04 3863 0.284E-02 0.857E-02 RMM: 6 -0.369576038545E+03 0.37578E-04 -0.39166E-05 3045 0.186E-02 0.485E-02 RMM: 7 -0.369576063093E+03 -0.24549E-04 -0.44454E-05 3128 0.187E-02 0.799E-02 RMM: 8 -0.369576024721E+03 0.38372E-04 -0.27905E-05 2734 0.164E-02 0.240E-02 RMM: 9 -0.369576023493E+03 0.12280E-05 -0.81432E-06 2434 0.786E-03 1354 T= 6202. E= 0.69593137E+03 F= 0.64462313E+03 E0= 0.67528590E+03 EK= 0.51308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370278775398E+03 -0.70275E+00 -0.13924E-01 7236 0.227E+01 0.182E-01 RMM: 2 -0.370286287393E+03 -0.75120E-02 -0.55365E-02 5229 0.564E-01 0.704E-01 RMM: 3 -0.370282972971E+03 0.33144E-02 -0.47317E-03 5453 0.144E-01 0.137E-01 RMM: 4 -0.370283028402E+03 -0.55431E-04 -0.50273E-04 4602 0.537E-02 0.178E-01 RMM: 5 -0.370282833461E+03 0.19494E-03 -0.11867E-04 3833 0.276E-02 0.815E-02 RMM: 6 -0.370282797173E+03 0.36288E-04 -0.33884E-05 2951 0.178E-02 0.387E-02 RMM: 7 -0.370282817187E+03 -0.20014E-04 -0.29326E-05 2621 0.152E-02 0.715E-02 RMM: 8 -0.370282786767E+03 0.30419E-04 -0.23477E-05 2561 0.145E-02 0.215E-02 RMM: 9 -0.370282786403E+03 0.36404E-06 -0.80097E-06 2434 0.788E-03 1355 T= 6290. E= 0.69606738E+03 F= 0.64403343E+03 E0= 0.67467169E+03 EK= 0.52034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371342640348E+03 -0.10599E+01 -0.14123E-01 7224 0.231E+01 0.205E-01 RMM: 2 -0.371351603704E+03 -0.89634E-02 -0.56444E-02 5302 0.573E-01 0.854E-01 RMM: 3 -0.371346787076E+03 0.48166E-02 -0.49891E-03 5412 0.153E-01 0.169E-01 RMM: 4 -0.371346800671E+03 -0.13596E-04 -0.65160E-04 4600 0.599E-02 0.185E-01 RMM: 5 -0.371346608535E+03 0.19214E-03 -0.14159E-04 3869 0.298E-02 0.984E-02 RMM: 6 -0.371346549076E+03 0.59458E-04 -0.36553E-05 3014 0.187E-02 0.349E-02 RMM: 7 -0.371346559762E+03 -0.10686E-04 -0.24853E-05 2545 0.141E-02 1356 T= 6470. E= 0.69660907E+03 F= 0.64308251E+03 E0= 0.67369537E+03 EK= 0.53527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372646789365E+03 -0.13002E+01 -0.14519E-01 7536 0.235E+01 0.222E-01 RMM: 2 -0.372656131621E+03 -0.93423E-02 -0.60656E-02 5302 0.598E-01 0.853E-01 RMM: 3 -0.372651337067E+03 0.47946E-02 -0.57828E-03 5398 0.166E-01 0.195E-01 RMM: 4 -0.372651278385E+03 0.58681E-04 -0.73028E-04 4606 0.616E-02 0.184E-01 RMM: 5 -0.372651061475E+03 0.21691E-03 -0.14224E-04 3876 0.297E-02 0.759E-02 RMM: 6 -0.372651031242E+03 0.30233E-04 -0.29122E-05 2818 0.168E-02 0.379E-02 RMM: 7 -0.372651044252E+03 -0.13010E-04 -0.25744E-05 2561 0.142E-02 1357 T= 6669. E= 0.69706078E+03 F= 0.64188651E+03 E0= 0.67247496E+03 EK= 0.55174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374057735362E+03 -0.14067E+01 -0.15191E-01 7848 0.238E+01 0.227E-01 RMM: 2 -0.374068057266E+03 -0.10322E-01 -0.66307E-02 5243 0.628E-01 0.912E-01 RMM: 3 -0.374062733097E+03 0.53242E-02 -0.64519E-03 5445 0.174E-01 0.211E-01 RMM: 4 -0.374062628140E+03 0.10496E-03 -0.82285E-04 4620 0.670E-02 0.182E-01 RMM: 5 -0.374062459323E+03 0.16882E-03 -0.17139E-04 3878 0.324E-02 0.115E-01 RMM: 6 -0.374062376382E+03 0.82942E-04 -0.52450E-05 3261 0.221E-02 0.337E-02 RMM: 7 -0.374062380223E+03 -0.38411E-05 -0.19137E-05 2503 0.124E-02 1358 T= 6799. E= 0.69682601E+03 F= 0.64057965E+03 E0= 0.67114596E+03 EK= 0.56246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375449137734E+03 -0.13868E+01 -0.15562E-01 7452 0.240E+01 0.234E-01 RMM: 2 -0.375460717601E+03 -0.11580E-01 -0.67084E-02 5222 0.631E-01 0.993E-01 RMM: 3 -0.375454183740E+03 0.65339E-02 -0.68992E-03 5404 0.183E-01 0.208E-01 RMM: 4 -0.375454062463E+03 0.12128E-03 -0.83430E-04 4616 0.656E-02 0.173E-01 RMM: 5 -0.375453883780E+03 0.17868E-03 -0.15424E-04 3880 0.309E-02 0.927E-02 RMM: 6 -0.375453833159E+03 0.50621E-04 -0.42313E-05 3083 0.200E-02 0.361E-02 RMM: 7 -0.375453846725E+03 -0.13566E-04 -0.25818E-05 2562 0.141E-02 1359 T= 6795. E= 0.69549917E+03 F= 0.63928940E+03 E0= 0.66983807E+03 EK= 0.56210E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376723448596E+03 -0.12696E+01 -0.15459E-01 7608 0.239E+01 0.201E-01 RMM: 2 -0.376732509892E+03 -0.90613E-02 -0.65577E-02 5197 0.613E-01 0.789E-01 RMM: 3 -0.376728528535E+03 0.39814E-02 -0.61179E-03 5482 0.164E-01 0.182E-01 RMM: 4 -0.376728456331E+03 0.72204E-04 -0.66127E-04 4621 0.601E-02 0.165E-01 RMM: 5 -0.376728314208E+03 0.14212E-03 -0.13947E-04 3866 0.287E-02 0.101E-01 RMM: 6 -0.376728251300E+03 0.62908E-04 -0.47872E-05 3191 0.212E-02 0.326E-02 RMM: 7 -0.376728263400E+03 -0.12099E-04 -0.24292E-05 2543 0.141E-02 1360 T= 6650. E= 0.69312570E+03 F= 0.63811367E+03 E0= 0.66865001E+03 EK= 0.55012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377830133364E+03 -0.11019E+01 -0.15101E-01 7548 0.236E+01 0.210E-01 RMM: 2 -0.377841110084E+03 -0.10977E-01 -0.64809E-02 5168 0.612E-01 0.958E-01 RMM: 3 -0.377835054265E+03 0.60558E-02 -0.64268E-03 5412 0.175E-01 0.184E-01 RMM: 4 -0.377834927591E+03 0.12667E-03 -0.68716E-04 4615 0.592E-02 0.139E-01 RMM: 5 -0.377834830515E+03 0.97076E-04 -0.12465E-04 3867 0.273E-02 0.948E-02 RMM: 6 -0.377834776702E+03 0.53813E-04 -0.43732E-05 3111 0.202E-02 0.351E-02 RMM: 7 -0.377834797849E+03 -0.21147E-04 -0.29225E-05 2633 0.152E-02 0.726E-02 RMM: 8 -0.377834768479E+03 0.29370E-04 -0.27092E-05 2552 0.153E-02 0.285E-02 RMM: 9 -0.377834765374E+03 0.31055E-05 -0.97814E-06 2436 0.897E-03 1361 T= 6419. E= 0.69020613E+03 F= 0.63710375E+03 E0= 0.66763391E+03 EK= 0.53102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378758945877E+03 -0.92418E+00 -0.14760E-01 7524 0.231E+01 0.176E-01 RMM: 2 -0.378767156497E+03 -0.82106E-02 -0.57857E-02 5219 0.562E-01 0.760E-01 RMM: 3 -0.378763355502E+03 0.38010E-02 -0.50218E-03 5442 0.150E-01 0.128E-01 RMM: 4 -0.378763403967E+03 -0.48466E-04 -0.46681E-04 4599 0.490E-02 0.167E-01 RMM: 5 -0.378763224153E+03 0.17981E-03 -0.10455E-04 3795 0.263E-02 0.677E-02 RMM: 6 -0.378763198487E+03 0.25666E-04 -0.33966E-05 2936 0.177E-02 0.366E-02 RMM: 7 -0.378763211340E+03 -0.12853E-04 -0.29484E-05 2587 0.155E-02 1362 T= 6186. E= 0.68744411E+03 F= 0.63626960E+03 E0= 0.66679943E+03 EK= 0.51175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379527116974E+03 -0.76392E+00 -0.14529E-01 7428 0.228E+01 0.184E-01 RMM: 2 -0.379535165588E+03 -0.80486E-02 -0.55264E-02 5247 0.559E-01 0.774E-01 RMM: 3 -0.379531272867E+03 0.38927E-02 -0.51657E-03 5462 0.153E-01 0.154E-01 RMM: 4 -0.379531177541E+03 0.95326E-04 -0.48259E-04 4572 0.484E-02 0.123E-01 RMM: 5 -0.379531107032E+03 0.70508E-04 -0.88198E-05 3705 0.240E-02 0.840E-02 RMM: 6 -0.379531068293E+03 0.38739E-04 -0.34525E-05 2933 0.179E-02 0.390E-02 RMM: 7 -0.379531091147E+03 -0.22854E-04 -0.36380E-05 2848 0.169E-02 0.748E-02 RMM: 8 -0.379531059280E+03 0.31867E-04 -0.25155E-05 2570 0.154E-02 0.228E-02 RMM: 9 -0.379531058635E+03 0.64509E-06 -0.77822E-06 2432 0.757E-03 1363 T= 6027. E= 0.68545289E+03 F= 0.63559297E+03 E0= 0.66612823E+03 EK= 0.49860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380162939759E+03 -0.63188E+00 -0.14639E-01 7764 0.226E+01 0.174E-01 RMM: 2 -0.380171009970E+03 -0.80702E-02 -0.56518E-02 5163 0.555E-01 0.761E-01 RMM: 3 -0.380167224072E+03 0.37859E-02 -0.50543E-03 5487 0.147E-01 0.147E-01 RMM: 4 -0.380167160375E+03 0.63696E-04 -0.50647E-04 4566 0.522E-02 0.134E-01 RMM: 5 -0.380167059326E+03 0.10105E-03 -0.10118E-04 3737 0.256E-02 0.760E-02 RMM: 6 -0.380167023730E+03 0.35596E-04 -0.30645E-05 2864 0.174E-02 0.263E-02 RMM: 7 -0.380167033240E+03 -0.95096E-05 -0.19320E-05 2503 0.123E-02 1364 T= 5989. E= 0.68459262E+03 F= 0.63504394E+03 E0= 0.66558855E+03 EK= 0.49549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380695598482E+03 -0.52857E+00 -0.14370E-01 7680 0.227E+01 0.183E-01 RMM: 2 -0.380703478832E+03 -0.78804E-02 -0.51855E-02 5233 0.542E-01 0.784E-01 RMM: 3 -0.380699492466E+03 0.39864E-02 -0.49694E-03 5447 0.151E-01 0.172E-01 RMM: 4 -0.380699349683E+03 0.14278E-03 -0.49322E-04 4511 0.490E-02 0.112E-01 RMM: 5 -0.380699276936E+03 0.72747E-04 -0.73115E-05 3514 0.218E-02 0.670E-02 RMM: 6 -0.380699254624E+03 0.22312E-04 -0.24531E-05 2586 0.153E-02 0.369E-02 RMM: 7 -0.380699269879E+03 -0.15255E-04 -0.35543E-05 2714 0.167E-02 1365 T= 6085. E= 0.68493373E+03 F= 0.63459317E+03 E0= 0.66515068E+03 EK= 0.50341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381148318547E+03 -0.44906E+00 -0.14513E-01 7620 0.229E+01 0.176E-01 RMM: 2 -0.381155940642E+03 -0.76221E-02 -0.54490E-02 5167 0.555E-01 0.739E-01 RMM: 3 -0.381152426429E+03 0.35142E-02 -0.52300E-03 5536 0.149E-01 0.153E-01 RMM: 4 -0.381152349447E+03 0.76982E-04 -0.51376E-04 4556 0.523E-02 0.138E-01 RMM: 5 -0.381152247326E+03 0.10212E-03 -0.10144E-04 3717 0.261E-02 0.770E-02 RMM: 6 -0.381152210654E+03 0.36672E-04 -0.26979E-05 2773 0.164E-02 0.269E-02 RMM: 7 -0.381152214836E+03 -0.41818E-05 -0.15522E-05 2478 0.113E-02 1366 T= 6291. E= 0.68625583E+03 F= 0.63421533E+03 E0= 0.66478691E+03 EK= 0.52041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381542012084E+03 -0.38980E+00 -0.14544E-01 7632 0.233E+01 0.185E-01 RMM: 2 -0.381550785650E+03 -0.87736E-02 -0.58030E-02 5164 0.572E-01 0.820E-01 RMM: 3 -0.381546436887E+03 0.43488E-02 -0.57160E-03 5479 0.159E-01 0.158E-01 RMM: 4 -0.381546321480E+03 0.11541E-03 -0.53603E-04 4572 0.517E-02 0.127E-01 RMM: 5 -0.381546237639E+03 0.83841E-04 -0.98271E-05 3759 0.262E-02 0.751E-02 RMM: 6 -0.381546202998E+03 0.34641E-04 -0.25016E-05 2642 0.154E-02 0.314E-02 RMM: 7 -0.381546208238E+03 -0.52403E-05 -0.23723E-05 2512 0.139E-02 1367 T= 6547. E= 0.68805090E+03 F= 0.63388978E+03 E0= 0.66447695E+03 EK= 0.54161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381895478701E+03 -0.34928E+00 -0.15203E-01 7644 0.236E+01 0.171E-01 RMM: 2 -0.381903619867E+03 -0.81412E-02 -0.60309E-02 5099 0.588E-01 0.731E-01 RMM: 3 -0.381900202333E+03 0.34175E-02 -0.58767E-03 5544 0.157E-01 0.150E-01 RMM: 4 -0.381900127498E+03 0.74835E-04 -0.50769E-04 4542 0.523E-02 0.137E-01 RMM: 5 -0.381900018943E+03 0.10855E-03 -0.10203E-04 3723 0.268E-02 0.725E-02 RMM: 6 -0.381899987293E+03 0.31650E-04 -0.25938E-05 2698 0.158E-02 0.297E-02 RMM: 7 -0.381899988380E+03 -0.10870E-05 -0.18624E-05 2488 0.124E-02 1368 T= 6769. E= 0.68959708E+03 F= 0.63359800E+03 E0= 0.66420078E+03 EK= 0.55999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382225955927E+03 -0.32597E+00 -0.15064E-01 7680 0.238E+01 0.166E-01 RMM: 2 -0.382234630638E+03 -0.86747E-02 -0.61688E-02 5072 0.590E-01 0.763E-01 RMM: 3 -0.382230828260E+03 0.38024E-02 -0.58558E-03 5539 0.157E-01 0.139E-01 RMM: 4 -0.382230751314E+03 0.76946E-04 -0.47823E-04 4563 0.511E-02 0.126E-01 RMM: 5 -0.382230660910E+03 0.90405E-04 -0.90705E-05 3667 0.256E-02 0.673E-02 RMM: 6 -0.382230635093E+03 0.25817E-04 -0.23208E-05 2576 0.148E-02 0.316E-02 RMM: 7 -0.382230638299E+03 -0.32062E-05 -0.22140E-05 2518 0.132E-02 1369 T= 6874. E= 0.69019062E+03 F= 0.63332349E+03 E0= 0.66394320E+03 EK= 0.56867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382551349184E+03 -0.32071E+00 -0.15233E-01 7788 0.237E+01 0.151E-01 RMM: 2 -0.382559510742E+03 -0.81616E-02 -0.65517E-02 4991 0.607E-01 0.651E-01 RMM: 3 -0.382556706350E+03 0.28044E-02 -0.64858E-03 5616 0.160E-01 0.129E-01 RMM: 4 -0.382556643863E+03 0.62487E-04 -0.42919E-04 4437 0.494E-02 0.125E-01 RMM: 5 -0.382556547096E+03 0.96767E-04 -0.78018E-05 3531 0.244E-02 0.605E-02 RMM: 6 -0.382556527792E+03 0.19304E-04 -0.22719E-05 2549 0.145E-02 1370 T= 6821. E= 0.68947716E+03 F= 0.63304850E+03 E0= 0.66368571E+03 EK= 0.56429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382890598128E+03 -0.33405E+00 -0.15139E-01 7680 0.235E+01 0.165E-01 RMM: 2 -0.382900554360E+03 -0.99562E-02 -0.65341E-02 4996 0.595E-01 0.832E-01 RMM: 3 -0.382895946194E+03 0.46082E-02 -0.66453E-03 5431 0.173E-01 0.148E-01 RMM: 4 -0.382895816968E+03 0.12923E-03 -0.49276E-04 4599 0.474E-02 0.822E-02 RMM: 5 -0.382895776829E+03 0.40139E-04 -0.62664E-05 3347 0.213E-02 0.639E-02 RMM: 6 -0.382895757696E+03 0.19133E-04 -0.25742E-05 2538 0.155E-02 1371 T= 6635. E= 0.68764717E+03 F= 0.63275533E+03 E0= 0.66341169E+03 EK= 0.54892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383255318612E+03 -0.35954E+00 -0.14419E-01 7620 0.231E+01 0.294E-01 RMM: 2 -0.383280704618E+03 -0.25386E-01 -0.67173E-02 5014 0.638E-01 0.178E+00 RMM: 3 -0.383260253371E+03 0.20451E-01 -0.10907E-02 5347 0.255E-01 0.314E-01 RMM: 4 -0.383259590278E+03 0.66309E-03 -0.12590E-03 4658 0.747E-02 0.773E-02 RMM: 5 -0.383259588404E+03 0.18743E-05 -0.14638E-04 3886 0.291E-02 1372 T= 6393. E= 0.68531691E+03 F= 0.63243277E+03 E0= 0.66310976E+03 EK= 0.52884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383643710995E+03 -0.38412E+00 -0.13502E-01 7740 0.226E+01 0.216E-01 RMM: 2 -0.383661300000E+03 -0.17589E-01 -0.57105E-02 5172 0.556E-01 0.141E+00 RMM: 3 -0.383648248919E+03 0.13051E-01 -0.70874E-03 5363 0.196E-01 0.222E-01 RMM: 4 -0.383647916582E+03 0.33234E-03 -0.76502E-04 4623 0.574E-02 0.796E-02 RMM: 5 -0.383647887843E+03 0.28739E-04 -0.84339E-05 3709 0.237E-02 0.713E-02 RMM: 6 -0.383647862673E+03 0.25170E-04 -0.22414E-05 2546 0.142E-02 0.474E-02 RMM: 7 -0.383647890850E+03 -0.28177E-04 -0.47879E-05 3163 0.183E-02 0.906E-02 RMM: 8 -0.383647843096E+03 0.47754E-04 -0.70577E-05 3835 0.205E-02 0.247E-02 RMM: 9 -0.383647842356E+03 0.74066E-06 -0.95175E-06 2453 0.886E-03 1373 T= 6180. E= 0.68320315E+03 F= 0.63208063E+03 E0= 0.66277810E+03 EK= 0.51123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384041457134E+03 -0.39361E+00 -0.13685E-01 7656 0.224E+01 0.206E-01 RMM: 2 -0.384052839086E+03 -0.11382E-01 -0.72196E-02 4800 0.637E-01 0.935E-01 RMM: 3 -0.384047023361E+03 0.58157E-02 -0.77740E-03 5481 0.186E-01 0.174E-01 RMM: 4 -0.384047021080E+03 0.22808E-05 -0.79944E-04 4629 0.648E-02 0.185E-01 RMM: 5 -0.384046829650E+03 0.19143E-03 -0.15430E-04 3859 0.310E-02 0.853E-02 RMM: 6 -0.384046786198E+03 0.43452E-04 -0.38702E-05 3063 0.188E-02 0.239E-02 RMM: 7 -0.384046797177E+03 -0.10979E-04 -0.16285E-05 2498 0.122E-02 1374 T= 6061. E= 0.68185422E+03 F= 0.63171206E+03 E0= 0.66243013E+03 EK= 0.50142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384423384877E+03 -0.37660E+00 -0.13429E-01 7992 0.223E+01 0.144E-01 RMM: 2 -0.384431204577E+03 -0.78197E-02 -0.54689E-02 5121 0.550E-01 0.711E-01 RMM: 3 -0.384427847415E+03 0.33572E-02 -0.52465E-03 5476 0.150E-01 0.156E-01 RMM: 4 -0.384427674301E+03 0.17311E-03 -0.38303E-04 4274 0.429E-02 0.595E-02 RMM: 5 -0.384427643544E+03 0.30756E-04 -0.44987E-05 2940 0.190E-02 0.467E-02 RMM: 6 -0.384427636297E+03 0.72478E-05 -0.20619E-05 2498 0.137E-02 1375 T= 6066. E= 0.68154154E+03 F= 0.63135529E+03 E0= 0.66209226E+03 EK= 0.50186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384742225234E+03 -0.31458E+00 -0.13914E-01 8232 0.225E+01 0.213E-01 RMM: 2 -0.384757440195E+03 -0.15215E-01 -0.58733E-02 5018 0.572E-01 0.128E+00 RMM: 3 -0.384746852806E+03 0.10587E-01 -0.75350E-03 5372 0.200E-01 0.225E-01 RMM: 4 -0.384746532453E+03 0.32035E-03 -0.76880E-04 4662 0.555E-02 0.701E-02 RMM: 5 -0.384746511685E+03 0.20768E-04 -0.90727E-05 3738 0.245E-02 0.703E-02 RMM: 6 -0.384746485846E+03 0.25838E-04 -0.23087E-05 2567 0.143E-02 0.452E-02 RMM: 7 -0.384746497051E+03 -0.11205E-04 -0.24776E-05 2548 0.147E-02 1376 T= 6188. E= 0.68224620E+03 F= 0.63105385E+03 E0= 0.66180749E+03 EK= 0.51192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384944885957E+03 -0.19840E+00 -0.14448E-01 7968 0.229E+01 0.225E-01 RMM: 2 -0.384960385249E+03 -0.15499E-01 -0.63070E-02 5089 0.592E-01 0.128E+00 RMM: 3 -0.384949697744E+03 0.10688E-01 -0.76817E-03 5387 0.200E-01 0.247E-01 RMM: 4 -0.384949349042E+03 0.34870E-03 -0.94287E-04 4622 0.660E-02 0.105E-01 RMM: 5 -0.384949341050E+03 0.79917E-05 -0.15188E-04 3875 0.320E-02 1377 T= 6384. E= 0.68367812E+03 F= 0.63086172E+03 E0= 0.66162779E+03 EK= 0.52816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384975331570E+03 -0.25983E-01 -0.15010E-01 8340 0.233E+01 0.169E-01 RMM: 2 -0.384988224055E+03 -0.12892E-01 -0.69842E-02 5160 0.605E-01 0.104E+00 RMM: 3 -0.384981029311E+03 0.71947E-02 -0.68862E-03 5400 0.178E-01 0.157E-01 RMM: 4 -0.384980873064E+03 0.15625E-03 -0.56843E-04 4751 0.473E-02 0.871E-02 RMM: 5 -0.384980811174E+03 0.61890E-04 -0.68667E-05 3521 0.232E-02 0.621E-02 RMM: 6 -0.384980796748E+03 0.14427E-04 -0.23215E-05 2520 0.139E-02 1378 T= 6587. E= 0.68532367E+03 F= 0.63083451E+03 E0= 0.66161004E+03 EK= 0.54489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384794511775E+03 0.18630E+00 -0.15152E-01 8232 0.236E+01 0.241E-01 RMM: 2 -0.384816211481E+03 -0.21700E-01 -0.60529E-02 5086 0.577E-01 0.162E+00 RMM: 3 -0.384798991497E+03 0.17220E-01 -0.86386E-03 5348 0.222E-01 0.213E-01 RMM: 4 -0.384798705535E+03 0.28596E-03 -0.92243E-04 4699 0.594E-02 0.774E-02 RMM: 5 -0.384798678033E+03 0.27502E-04 -0.95389E-05 3793 0.260E-02 0.714E-02 RMM: 6 -0.384798650447E+03 0.27587E-04 -0.22111E-05 2565 0.141E-02 0.426E-02 RMM: 7 -0.384798657477E+03 -0.70307E-05 -0.21017E-05 2518 0.141E-02 1379 T= 6718. E= 0.68658868E+03 F= 0.63101470E+03 E0= 0.66179668E+03 EK= 0.55574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384384902835E+03 0.41375E+00 -0.15502E-01 8172 0.238E+01 0.289E-01 RMM: 2 -0.384410473808E+03 -0.25571E-01 -0.71123E-02 5126 0.636E-01 0.178E+00 RMM: 3 -0.384389915513E+03 0.20558E-01 -0.10543E-02 5386 0.248E-01 0.295E-01 RMM: 4 -0.384389364625E+03 0.55089E-03 -0.12583E-03 4636 0.750E-02 0.101E-01 RMM: 5 -0.384389371870E+03 -0.72451E-05 -0.18777E-04 3881 0.356E-02 1380 T= 6725. E= 0.68705239E+03 F= 0.63141610E+03 E0= 0.66219952E+03 EK= 0.55636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383774846415E+03 0.61452E+00 -0.15496E-01 8112 0.237E+01 0.178E-01 RMM: 2 -0.383788951194E+03 -0.14105E-01 -0.70828E-02 5185 0.587E-01 0.112E+00 RMM: 3 -0.383780495404E+03 0.84558E-02 -0.69646E-03 5406 0.185E-01 0.188E-01 RMM: 4 -0.383780267962E+03 0.22744E-03 -0.61459E-04 4773 0.487E-02 0.774E-02 RMM: 5 -0.383780225776E+03 0.42186E-04 -0.62889E-05 3372 0.221E-02 0.659E-02 RMM: 6 -0.383780208350E+03 0.17426E-04 -0.29546E-05 2617 0.161E-02 1381 T= 6608. E= 0.68668113E+03 F= 0.63201148E+03 E0= 0.66279456E+03 EK= 0.54670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383031748573E+03 0.74848E+00 -0.15339E-01 7788 0.234E+01 0.281E-01 RMM: 2 -0.383058797205E+03 -0.27049E-01 -0.64370E-02 4942 0.590E-01 0.184E+00 RMM: 3 -0.383036406645E+03 0.22391E-01 -0.10913E-02 5360 0.255E-01 0.266E-01 RMM: 4 -0.383035939448E+03 0.46720E-03 -0.11686E-03 4657 0.699E-02 0.851E-02 RMM: 5 -0.383035944263E+03 -0.48145E-05 -0.13633E-04 3873 0.301E-02 1382 T= 6419. E= 0.68584109E+03 F= 0.63273596E+03 E0= 0.66351485E+03 EK= 0.53105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382236385417E+03 0.79955E+00 -0.15271E-01 8016 0.231E+01 0.326E-01 RMM: 2 -0.382272298844E+03 -0.35913E-01 -0.76345E-02 5250 0.650E-01 0.217E+00 RMM: 3 -0.382241582614E+03 0.30716E-01 -0.12704E-02 5361 0.275E-01 0.294E-01 RMM: 4 -0.382240977194E+03 0.60542E-03 -0.13787E-03 4657 0.760E-02 0.102E-01 RMM: 5 -0.382240955708E+03 0.21486E-04 -0.16372E-04 3892 0.321E-02 0.108E-01 RMM: 6 -0.382240883005E+03 0.72703E-04 -0.40153E-05 2997 0.190E-02 0.458E-02 RMM: 7 -0.382240886233E+03 -0.32278E-05 -0.22667E-05 2544 0.143E-02 1383 T= 6235. E= 0.68508856E+03 F= 0.63350511E+03 E0= 0.66427633E+03 EK= 0.51583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381474183945E+03 0.76670E+00 -0.15312E-01 7824 0.228E+01 0.197E-01 RMM: 2 -0.381487559462E+03 -0.13376E-01 -0.76140E-02 4814 0.633E-01 0.104E+00 RMM: 3 -0.381480313644E+03 0.72458E-02 -0.83706E-03 5420 0.202E-01 0.210E-01 RMM: 4 -0.381480078357E+03 0.23529E-03 -0.80564E-04 4659 0.607E-02 0.104E-01 RMM: 5 -0.381480066333E+03 0.12024E-04 -0.12289E-04 3808 0.282E-02 1384 T= 6127. E= 0.68491661E+03 F= 0.63423389E+03 E0= 0.66499330E+03 EK= 0.50683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380817352652E+03 0.66273E+00 -0.14861E-01 7824 0.228E+01 0.194E-01 RMM: 2 -0.380830792134E+03 -0.13439E-01 -0.71681E-02 5129 0.617E-01 0.109E+00 RMM: 3 -0.380822999170E+03 0.77930E-02 -0.72345E-03 5442 0.186E-01 0.189E-01 RMM: 4 -0.380822781899E+03 0.21727E-03 -0.63570E-04 4698 0.525E-02 0.890E-02 RMM: 5 -0.380822723669E+03 0.58230E-04 -0.86232E-05 3749 0.235E-02 0.721E-02 RMM: 6 -0.380822696976E+03 0.26693E-04 -0.25815E-05 2610 0.150E-02 0.486E-02 RMM: 7 -0.380822712061E+03 -0.15085E-04 -0.53597E-05 3242 0.189E-02 1385 T= 6134. E= 0.68559902E+03 F= 0.63485331E+03 E0= 0.66559695E+03 EK= 0.50746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380309614394E+03 0.51308E+00 -0.14721E-01 8040 0.229E+01 0.168E-01 RMM: 2 -0.380318880933E+03 -0.92665E-02 -0.61542E-02 4843 0.583E-01 0.809E-01 RMM: 3 -0.380314525945E+03 0.43550E-02 -0.67237E-03 5445 0.177E-01 0.159E-01 RMM: 4 -0.380314399810E+03 0.12613E-03 -0.54330E-04 4637 0.494E-02 0.928E-02 RMM: 5 -0.380314372112E+03 0.27698E-04 -0.86268E-05 3645 0.244E-02 0.801E-02 RMM: 6 -0.380314334140E+03 0.37972E-04 -0.26993E-05 2749 0.158E-02 0.248E-02 RMM: 7 -0.380314339295E+03 -0.51555E-05 -0.12694E-05 2470 0.110E-02 1386 T= 6263. E= 0.68712870E+03 F= 0.63531836E+03 E0= 0.66604175E+03 EK= 0.51810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379968867528E+03 0.34547E+00 -0.15099E-01 7932 0.232E+01 0.185E-01 RMM: 2 -0.379980203377E+03 -0.11336E-01 -0.67668E-02 5012 0.616E-01 0.964E-01 RMM: 3 -0.379974137953E+03 0.60654E-02 -0.71958E-03 5459 0.185E-01 0.164E-01 RMM: 4 -0.379973964271E+03 0.17368E-03 -0.56631E-04 4707 0.494E-02 0.862E-02 RMM: 5 -0.379973922445E+03 0.41826E-04 -0.84553E-05 3707 0.250E-02 0.774E-02 RMM: 6 -0.379973884946E+03 0.37499E-04 -0.30808E-05 2789 0.163E-02 0.426E-02 RMM: 7 -0.379973888593E+03 -0.36465E-05 -0.38971E-05 2813 0.174E-02 1387 T= 6478. E= 0.68920025E+03 F= 0.63561067E+03 E0= 0.66630967E+03 EK= 0.53590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379789283150E+03 0.18460E+00 -0.15213E-01 8112 0.236E+01 0.173E-01 RMM: 2 -0.379798951186E+03 -0.96680E-02 -0.63174E-02 5042 0.603E-01 0.845E-01 RMM: 3 -0.379794310266E+03 0.46409E-02 -0.66400E-03 5430 0.175E-01 0.172E-01 RMM: 4 -0.379794109350E+03 0.20092E-03 -0.51511E-04 4648 0.469E-02 0.656E-02 RMM: 5 -0.379794090419E+03 0.18931E-04 -0.78312E-05 3667 0.246E-02 1388 T= 6708. E= 0.69123391E+03 F= 0.63573797E+03 E0= 0.66641086E+03 EK= 0.55496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379742009969E+03 0.52099E-01 -0.15225E-01 7824 0.240E+01 0.159E-01 RMM: 2 -0.379753172719E+03 -0.11163E-01 -0.67986E-02 5055 0.602E-01 0.906E-01 RMM: 3 -0.379747677480E+03 0.54952E-02 -0.66194E-03 5408 0.172E-01 0.165E-01 RMM: 4 -0.379747512791E+03 0.16469E-03 -0.50594E-04 4559 0.467E-02 0.855E-02 RMM: 5 -0.379747463297E+03 0.49494E-04 -0.70022E-05 3519 0.231E-02 0.737E-02 RMM: 6 -0.379747447576E+03 0.15721E-04 -0.36800E-05 2828 0.176E-02 1389 T= 6865. E= 0.69252345E+03 F= 0.63572786E+03 E0= 0.66637559E+03 EK= 0.56796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379792994639E+03 -0.45531E-01 -0.15388E-01 7836 0.241E+01 0.380E-01 RMM: 2 -0.379830349629E+03 -0.37355E-01 -0.87348E-02 4884 0.744E-01 0.220E+00 RMM: 3 -0.379798931059E+03 0.31419E-01 -0.16390E-02 5328 0.322E-01 0.405E-01 RMM: 4 -0.379797806347E+03 0.11247E-02 -0.18216E-03 4876 0.875E-02 0.923E-02 RMM: 5 -0.379797809521E+03 -0.31747E-05 -0.23934E-04 3894 0.366E-02 0.115E-01 RMM: 6 -0.379797730912E+03 0.78609E-04 -0.68472E-05 3500 0.238E-02 0.495E-02 RMM: 7 -0.379797733532E+03 -0.26200E-05 -0.25882E-05 2578 0.155E-02 1390 T= 6881. E= 0.69253996E+03 F= 0.63561622E+03 E0= 0.66624337E+03 EK= 0.56924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379911018720E+03 -0.11329E+00 -0.14821E-01 7788 0.239E+01 0.364E-01 RMM: 2 -0.379948150595E+03 -0.37132E-01 -0.71903E-02 5126 0.658E-01 0.223E+00 RMM: 3 -0.379916047399E+03 0.32103E-01 -0.14837E-02 5326 0.305E-01 0.397E-01 RMM: 4 -0.379914976750E+03 0.10706E-02 -0.17641E-03 4832 0.875E-02 0.114E-01 RMM: 5 -0.379914991239E+03 -0.14489E-04 -0.25464E-04 3893 0.399E-02 0.136E-01 RMM: 6 -0.379914869710E+03 0.12153E-03 -0.79724E-05 3609 0.258E-02 0.484E-02 RMM: 7 -0.379914868067E+03 0.16434E-05 -0.25124E-05 2602 0.147E-02 1391 T= 6745. E= 0.69123254E+03 F= 0.63543246E+03 E0= 0.66604564E+03 EK= 0.55800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380077739370E+03 -0.16287E+00 -0.14641E-01 7812 0.235E+01 0.291E-01 RMM: 2 -0.380098843465E+03 -0.21104E-01 -0.72397E-02 4975 0.656E-01 0.158E+00 RMM: 3 -0.380082999948E+03 0.15844E-01 -0.11009E-02 5340 0.252E-01 0.296E-01 RMM: 4 -0.380082442761E+03 0.55719E-03 -0.11294E-03 4646 0.676E-02 0.918E-02 RMM: 5 -0.380082459683E+03 -0.16922E-04 -0.18749E-04 3886 0.357E-02 1392 T= 6513. E= 0.68906855E+03 F= 0.63519212E+03 E0= 0.66579973E+03 EK= 0.53876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380286477352E+03 -0.20403E+00 -0.13872E-01 8028 0.231E+01 0.152E-01 RMM: 2 -0.380293961599E+03 -0.74842E-02 -0.59134E-02 5071 0.564E-01 0.609E-01 RMM: 3 -0.380291463203E+03 0.24984E-02 -0.55873E-03 5449 0.152E-01 0.144E-01 RMM: 4 -0.380291396306E+03 0.66897E-04 -0.43811E-04 4288 0.471E-02 0.131E-01 RMM: 5 -0.380291285915E+03 0.11039E-03 -0.96355E-05 3739 0.261E-02 0.742E-02 RMM: 6 -0.380291268511E+03 0.17403E-04 -0.48357E-05 3189 0.197E-02 1393 T= 6270. E= 0.68677720E+03 F= 0.63490369E+03 E0= 0.66551476E+03 EK= 0.51874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380527092097E+03 -0.23581E+00 -0.13589E-01 7812 0.227E+01 0.332E-01 RMM: 2 -0.380555785642E+03 -0.28694E-01 -0.61566E-02 4992 0.610E-01 0.195E+00 RMM: 3 -0.380531268859E+03 0.24517E-01 -0.12035E-02 5337 0.274E-01 0.347E-01 RMM: 4 -0.380530470460E+03 0.79840E-03 -0.14972E-03 4672 0.808E-02 0.105E-01 RMM: 5 -0.380530532739E+03 -0.62279E-04 -0.23549E-04 3902 0.387E-02 0.151E-01 RMM: 6 -0.380530392101E+03 0.14064E-03 -0.72666E-05 3495 0.252E-02 0.503E-02 RMM: 7 -0.380530383774E+03 0.83268E-05 -0.25131E-05 2589 0.150E-02 1394 T= 6098. E= 0.68502402E+03 F= 0.63457781E+03 E0= 0.66519960E+03 EK= 0.50446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380772629887E+03 -0.24224E+00 -0.13469E-01 7896 0.225E+01 0.341E-01 RMM: 2 -0.380803961866E+03 -0.31332E-01 -0.61916E-02 5119 0.613E-01 0.203E+00 RMM: 3 -0.380776866277E+03 0.27096E-01 -0.12192E-02 5327 0.277E-01 0.372E-01 RMM: 4 -0.380775924930E+03 0.94135E-03 -0.15774E-03 4678 0.841E-02 0.103E-01 RMM: 5 -0.380775966414E+03 -0.41484E-04 -0.23136E-04 3890 0.374E-02 0.144E-01 RMM: 6 -0.380775835753E+03 0.13066E-03 -0.76268E-05 3558 0.255E-02 0.510E-02 RMM: 7 -0.380775832949E+03 0.28034E-05 -0.28879E-05 2703 0.159E-02 1395 T= 6042. E= 0.68422478E+03 F= 0.63423867E+03 E0= 0.66487736E+03 EK= 0.49986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380980065518E+03 -0.20423E+00 -0.13527E-01 8160 0.225E+01 0.255E-01 RMM: 2 -0.380996400060E+03 -0.16335E-01 -0.52801E-02 5123 0.553E-01 0.140E+00 RMM: 3 -0.380983889261E+03 0.12511E-01 -0.81520E-03 5346 0.217E-01 0.261E-01 RMM: 4 -0.380983455689E+03 0.43357E-03 -0.87208E-04 4640 0.595E-02 0.886E-02 RMM: 5 -0.380983461314E+03 -0.56253E-05 -0.16009E-04 3885 0.342E-02 1396 T= 6113. E= 0.68449906E+03 F= 0.63393121E+03 E0= 0.66459083E+03 EK= 0.50568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381082317408E+03 -0.98862E-01 -0.13726E-01 8400 0.228E+01 0.173E-01 RMM: 2 -0.381092332187E+03 -0.10015E-01 -0.52429E-02 5276 0.510E-01 0.926E-01 RMM: 3 -0.381086560501E+03 0.57717E-02 -0.50679E-03 5357 0.159E-01 0.180E-01 RMM: 4 -0.381086403936E+03 0.15656E-03 -0.55065E-04 4472 0.471E-02 0.109E-01 RMM: 5 -0.381086329875E+03 0.74062E-04 -0.11136E-04 3878 0.285E-02 0.846E-02 RMM: 6 -0.381086312751E+03 0.17124E-04 -0.70830E-05 3524 0.230E-02 1397 T= 6281. E= 0.68568235E+03 F= 0.63372336E+03 E0= 0.66440726E+03 EK= 0.51959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380997502431E+03 0.88827E-01 -0.14205E-01 8436 0.232E+01 0.394E-01 RMM: 2 -0.381042017710E+03 -0.44515E-01 -0.73387E-02 5122 0.660E-01 0.245E+00 RMM: 3 -0.381002275919E+03 0.39742E-01 -0.16534E-02 5255 0.326E-01 0.382E-01 RMM: 4 -0.381001280565E+03 0.99535E-03 -0.19112E-03 4797 0.895E-02 0.105E-01 RMM: 5 -0.381001245097E+03 0.35468E-04 -0.24543E-04 3892 0.397E-02 0.111E-01 RMM: 6 -0.381001173622E+03 0.71475E-04 -0.91227E-05 3757 0.272E-02 0.566E-02 RMM: 7 -0.381001219510E+03 -0.45888E-04 -0.52831E-05 3268 0.205E-02 0.104E-01 RMM: 8 -0.381001151346E+03 0.68164E-04 -0.32627E-05 2879 0.185E-02 0.361E-02 RMM: 9 -0.381001145203E+03 0.61432E-05 -0.10357E-05 2466 0.938E-03 1398 T= 6486. E= 0.68735741E+03 F= 0.63369928E+03 E0= 0.66440863E+03 EK= 0.53658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380638260192E+03 0.36289E+00 -0.14715E-01 8232 0.235E+01 0.346E-01 RMM: 2 -0.380675613545E+03 -0.37353E-01 -0.71297E-02 5212 0.624E-01 0.221E+00 RMM: 3 -0.380643297312E+03 0.32316E-01 -0.14286E-02 5324 0.296E-01 0.349E-01 RMM: 4 -0.380642483010E+03 0.81430E-03 -0.16462E-03 4699 0.830E-02 0.112E-01 RMM: 5 -0.380642469850E+03 0.13160E-04 -0.23877E-04 3889 0.406E-02 0.127E-01 RMM: 6 -0.380642365865E+03 0.10399E-03 -0.79252E-05 3638 0.258E-02 0.492E-02 RMM: 7 -0.380642391062E+03 -0.25197E-04 -0.45393E-05 3115 0.192E-02 0.832E-02 RMM: 8 -0.380642346315E+03 0.44747E-04 -0.28474E-05 2692 0.170E-02 0.280E-02 RMM: 9 -0.380642343105E+03 0.32100E-05 -0.86117E-06 2449 0.841E-03 1399 T= 6649. E= 0.68895390E+03 F= 0.63394504E+03 E0= 0.66467906E+03 EK= 0.55009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379936912746E+03 0.70543E+00 -0.14947E-01 8148 0.238E+01 0.198E-01 RMM: 2 -0.379951048386E+03 -0.14136E-01 -0.68180E-02 5131 0.600E-01 0.115E+00 RMM: 3 -0.379942332063E+03 0.87163E-02 -0.72875E-03 5430 0.185E-01 0.193E-01 RMM: 4 -0.379942092027E+03 0.24004E-03 -0.67355E-04 4704 0.528E-02 0.870E-02 RMM: 5 -0.379942043956E+03 0.48071E-04 -0.11684E-04 3872 0.300E-02 0.844E-02 RMM: 6 -0.379942025472E+03 0.18484E-04 -0.58187E-05 3374 0.213E-02 1400 T= 6701. E= 0.68996585E+03 F= 0.63452841E+03 E0= 0.66528478E+03 EK= 0.55437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378867101179E+03 0.10749E+01 -0.15283E-01 8184 0.238E+01 0.302E-01 RMM: 2 -0.378887212749E+03 -0.20112E-01 -0.65593E-02 5207 0.588E-01 0.154E+00 RMM: 3 -0.378871591709E+03 0.15621E-01 -0.10557E-02 5343 0.246E-01 0.259E-01 RMM: 4 -0.378871206685E+03 0.38502E-03 -0.10940E-03 4679 0.649E-02 0.124E-01 RMM: 5 -0.378871181003E+03 0.25681E-04 -0.21962E-04 3895 0.398E-02 0.140E-01 RMM: 6 -0.378871073058E+03 0.10795E-03 -0.13341E-04 3880 0.319E-02 0.687E-02 RMM: 7 -0.378871141684E+03 -0.68626E-04 -0.76913E-05 3593 0.237E-02 0.126E-01 RMM: 8 -0.378871043580E+03 0.98104E-04 -0.43181E-05 3146 0.204E-02 0.436E-02 RMM: 9 -0.378871033982E+03 0.95973E-05 -0.13437E-05 2496 0.105E-02 1401 T= 6616. E= 0.69021295E+03 F= 0.63547800E+03 E0= 0.66625416E+03 EK= 0.54735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377443920780E+03 0.14271E+01 -0.15307E-01 8064 0.235E+01 0.304E-01 RMM: 2 -0.377466951481E+03 -0.23031E-01 -0.71567E-02 5067 0.618E-01 0.167E+00 RMM: 3 -0.377449074722E+03 0.17877E-01 -0.11288E-02 5360 0.253E-01 0.316E-01 RMM: 4 -0.377448441563E+03 0.63316E-03 -0.13198E-03 4648 0.750E-02 0.118E-01 RMM: 5 -0.377448483386E+03 -0.41822E-04 -0.22665E-04 3890 0.394E-02 0.152E-01 RMM: 6 -0.377448340614E+03 0.14277E-03 -0.86568E-05 3622 0.271E-02 0.427E-02 RMM: 7 -0.377448346365E+03 -0.57511E-05 -0.28490E-05 2720 0.158E-02 1402 T= 6428. E= 0.68995123E+03 F= 0.63677427E+03 E0= 0.66756566E+03 EK= 0.53177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375726666808E+03 0.17217E+01 -0.15057E-01 8088 0.232E+01 0.236E-01 RMM: 2 -0.375739214468E+03 -0.12548E-01 -0.71649E-02 5143 0.594E-01 0.103E+00 RMM: 3 -0.375732049310E+03 0.71652E-02 -0.76488E-03 5435 0.190E-01 0.208E-01 RMM: 4 -0.375731999145E+03 0.50166E-04 -0.88016E-04 4635 0.655E-02 0.201E-01 RMM: 5 -0.375731828283E+03 0.17086E-03 -0.20767E-04 3886 0.360E-02 0.142E-01 RMM: 6 -0.375731705609E+03 0.12267E-03 -0.94800E-05 3655 0.275E-02 0.467E-02 RMM: 7 -0.375731758674E+03 -0.53065E-04 -0.57141E-05 3319 0.204E-02 0.107E-01 RMM: 8 -0.375731688826E+03 0.69847E-04 -0.33506E-05 2798 0.181E-02 0.311E-02 RMM: 9 -0.375731684547E+03 0.42791E-05 -0.10729E-05 2456 0.915E-03 1403 T= 6210. E= 0.68973298E+03 F= 0.63835929E+03 E0= 0.66916166E+03 EK= 0.51374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373793804783E+03 0.19379E+01 -0.14795E-01 7728 0.228E+01 0.231E-01 RMM: 2 -0.373806779567E+03 -0.12975E-01 -0.75694E-02 4944 0.627E-01 0.105E+00 RMM: 3 -0.373799551807E+03 0.72278E-02 -0.82925E-03 5537 0.192E-01 0.155E-01 RMM: 4 -0.373799717271E+03 -0.16546E-03 -0.88015E-04 4633 0.665E-02 0.245E-01 RMM: 5 -0.373799387381E+03 0.32989E-03 -0.20578E-04 3880 0.366E-02 0.108E-01 RMM: 6 -0.373799313687E+03 0.73694E-04 -0.61967E-05 3365 0.229E-02 0.359E-02 RMM: 7 -0.373799323902E+03 -0.10215E-04 -0.23967E-05 2557 0.143E-02 1404 T= 6043. E= 0.69014476E+03 F= 0.64015530E+03 E0= 0.67096363E+03 EK= 0.49989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371726593644E+03 0.20727E+01 -0.14824E-01 7848 0.227E+01 0.208E-01 RMM: 2 -0.371735609818E+03 -0.90162E-02 -0.72501E-02 5010 0.614E-01 0.700E-01 RMM: 3 -0.371732283349E+03 0.33265E-02 -0.76130E-03 5534 0.178E-01 0.153E-01 RMM: 4 -0.371732466351E+03 -0.18300E-03 -0.70434E-04 4621 0.604E-02 0.244E-01 RMM: 5 -0.371732113882E+03 0.35247E-03 -0.17279E-04 3882 0.325E-02 0.942E-02 RMM: 6 -0.371732065857E+03 0.48025E-04 -0.51862E-05 3259 0.204E-02 0.460E-02 RMM: 7 -0.371732089356E+03 -0.23499E-04 -0.40634E-05 2981 0.184E-02 0.818E-02 RMM: 8 -0.371732046865E+03 0.42492E-04 -0.25865E-05 2620 0.160E-02 0.219E-02 RMM: 9 -0.371732046447E+03 0.41729E-06 -0.79307E-06 2442 0.779E-03 1405 T= 5986. E= 0.69160525E+03 F= 0.64208284E+03 E0= 0.67289311E+03 EK= 0.49522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369594814918E+03 0.21372E+01 -0.14690E-01 7740 0.227E+01 0.193E-01 RMM: 2 -0.369603489313E+03 -0.86744E-02 -0.68246E-02 4933 0.593E-01 0.699E-01 RMM: 3 -0.369600209808E+03 0.32795E-02 -0.68794E-03 5529 0.166E-01 0.137E-01 RMM: 4 -0.369600399890E+03 -0.19008E-03 -0.64086E-04 4618 0.593E-02 0.241E-01 RMM: 5 -0.369600050185E+03 0.34971E-03 -0.18294E-04 3881 0.352E-02 0.834E-02 RMM: 6 -0.369600011110E+03 0.39076E-04 -0.49770E-05 3217 0.204E-02 0.405E-02 RMM: 7 -0.369600028242E+03 -0.17132E-04 -0.29641E-05 2647 0.159E-02 1406 T= 6068. E= 0.69427463E+03 F= 0.64407366E+03 E0= 0.67488172E+03 EK= 0.50201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367450703590E+03 0.21493E+01 -0.15066E-01 7860 0.230E+01 0.170E-01 RMM: 2 -0.367457542562E+03 -0.68390E-02 -0.61338E-02 5067 0.568E-01 0.524E-01 RMM: 3 -0.367455607188E+03 0.19354E-02 -0.58525E-03 5585 0.150E-01 0.123E-01 RMM: 4 -0.367455715193E+03 -0.10800E-03 -0.47067E-04 4531 0.513E-02 0.204E-01 RMM: 5 -0.367455455895E+03 0.25930E-03 -0.14778E-04 3883 0.316E-02 0.722E-02 RMM: 6 -0.367455452524E+03 0.33718E-05 -0.60321E-05 3378 0.214E-02 1407 T= 6278. E= 0.69801541E+03 F= 0.64607751E+03 E0= 0.67688025E+03 EK= 0.51938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365333383980E+03 0.21221E+01 -0.16051E-01 7884 0.235E+01 0.255E-01 RMM: 2 -0.365352461761E+03 -0.19078E-01 -0.73762E-02 5014 0.627E-01 0.141E+00 RMM: 3 -0.365339161783E+03 0.13300E-01 -0.95278E-03 5357 0.223E-01 0.250E-01 RMM: 4 -0.365338818263E+03 0.34352E-03 -0.10378E-03 4651 0.668E-02 0.126E-01 RMM: 5 -0.365338794416E+03 0.23846E-04 -0.23040E-04 3921 0.405E-02 0.134E-01 RMM: 6 -0.365338694341E+03 0.10008E-03 -0.10648E-04 3827 0.287E-02 0.646E-02 RMM: 7 -0.365338730245E+03 -0.35904E-04 -0.63421E-05 3425 0.219E-02 0.101E-01 RMM: 8 -0.365338671063E+03 0.59182E-04 -0.35311E-05 3004 0.191E-02 0.450E-02 RMM: 9 -0.365338659674E+03 0.11389E-04 -0.10924E-05 2470 0.986E-03 1408 T= 6563. E= 0.70235013E+03 F= 0.64805549E+03 E0= 0.67884921E+03 EK= 0.54295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363280503893E+03 0.20582E+01 -0.16706E-01 7980 0.240E+01 0.263E-01 RMM: 2 -0.363300853394E+03 -0.20350E-01 -0.73259E-02 5020 0.647E-01 0.151E+00 RMM: 3 -0.363286158048E+03 0.14695E-01 -0.98561E-03 5348 0.233E-01 0.287E-01 RMM: 4 -0.363285626265E+03 0.53178E-03 -0.11213E-03 4660 0.718E-02 0.105E-01 RMM: 5 -0.363285653358E+03 -0.27093E-04 -0.21194E-04 3893 0.395E-02 0.141E-01 RMM: 6 -0.363285527699E+03 0.12566E-03 -0.79103E-05 3588 0.257E-02 0.436E-02 RMM: 7 -0.363285557236E+03 -0.29537E-04 -0.49820E-05 3189 0.198E-02 0.848E-02 RMM: 8 -0.363285515174E+03 0.42063E-04 -0.28967E-05 2763 0.178E-02 0.325E-02 RMM: 9 -0.363285509158E+03 0.60161E-05 -0.73957E-06 2445 0.796E-03 1409 T= 6831. E= 0.70648654E+03 F= 0.64997214E+03 E0= 0.68075563E+03 EK= 0.56514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361327729336E+03 0.19578E+01 -0.17454E-01 8028 0.244E+01 0.206E-01 RMM: 2 -0.361342327989E+03 -0.14599E-01 -0.88839E-02 4956 0.694E-01 0.105E+00 RMM: 3 -0.361335090754E+03 0.72372E-02 -0.93586E-03 5434 0.203E-01 0.188E-01 RMM: 4 -0.361334890117E+03 0.20064E-03 -0.77499E-04 4646 0.611E-02 0.124E-01 RMM: 5 -0.361334821743E+03 0.68374E-04 -0.18648E-04 3897 0.374E-02 0.108E-01 RMM: 6 -0.361334769329E+03 0.52414E-04 -0.85471E-05 3693 0.254E-02 0.708E-02 RMM: 7 -0.361334807090E+03 -0.37761E-04 -0.72855E-05 3602 0.236E-02 0.108E-01 RMM: 8 -0.361334732308E+03 0.74782E-04 -0.38067E-05 3080 0.191E-02 0.313E-02 RMM: 9 -0.361334728390E+03 0.39179E-05 -0.94232E-06 2459 0.850E-03 1410 T= 6980. E= 0.70953393E+03 F= 0.65178809E+03 E0= 0.68255990E+03 EK= 0.57746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359528480692E+03 0.18063E+01 -0.18123E-01 8052 0.245E+01 0.193E-01 RMM: 2 -0.359539876950E+03 -0.11396E-01 -0.87966E-02 5023 0.693E-01 0.787E-01 RMM: 3 -0.359535656177E+03 0.42208E-02 -0.85979E-03 5570 0.185E-01 0.140E-01 RMM: 4 -0.359535603080E+03 0.53097E-04 -0.61733E-04 4645 0.577E-02 0.168E-01 RMM: 5 -0.359535433224E+03 0.16986E-03 -0.16970E-04 3885 0.355E-02 0.814E-02 RMM: 6 -0.359535417698E+03 0.15526E-04 -0.74800E-05 3510 0.241E-02 1411 T= 6947. E= 0.71091930E+03 F= 0.65345276E+03 E0= 0.68421301E+03 EK= 0.57467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357942025161E+03 0.15934E+01 -0.18919E-01 7932 0.243E+01 0.315E-01 RMM: 2 -0.357969633901E+03 -0.27609E-01 -0.10622E-01 5036 0.771E-01 0.172E+00 RMM: 3 -0.357950217231E+03 0.19417E-01 -0.13808E-02 5354 0.269E-01 0.273E-01 RMM: 4 -0.357949811801E+03 0.40543E-03 -0.15171E-03 4726 0.811E-02 0.153E-01 RMM: 5 -0.357949792954E+03 0.18846E-04 -0.27808E-04 3945 0.415E-02 0.168E-01 RMM: 6 -0.357949625234E+03 0.16772E-03 -0.13290E-04 3866 0.319E-02 0.675E-02 RMM: 7 -0.357949676902E+03 -0.51668E-04 -0.10258E-04 3754 0.269E-02 0.116E-01 RMM: 8 -0.357949595446E+03 0.81457E-04 -0.50213E-05 3237 0.215E-02 0.452E-02 RMM: 9 -0.357949585132E+03 0.10313E-04 -0.12707E-05 2486 0.105E-02 1412 T= 6747. E= 0.71071942E+03 F= 0.65490238E+03 E0= 0.68565113E+03 EK= 0.55817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356635901724E+03 0.13137E+01 -0.18132E-01 7896 0.239E+01 0.296E-01 RMM: 2 -0.356661917937E+03 -0.26016E-01 -0.10518E-01 5014 0.759E-01 0.164E+00 RMM: 3 -0.356643996501E+03 0.17921E-01 -0.12319E-02 5374 0.252E-01 0.275E-01 RMM: 4 -0.356643636701E+03 0.35980E-03 -0.15741E-03 4811 0.862E-02 0.181E-01 RMM: 5 -0.356643630360E+03 0.63405E-05 -0.30851E-04 3995 0.436E-02 0.186E-01 RMM: 6 -0.356643402473E+03 0.22789E-03 -0.12207E-04 3846 0.313E-02 0.397E-02 RMM: 7 -0.356643419457E+03 -0.16984E-04 -0.38111E-05 3008 0.174E-02 1413 T= 6470. E= 0.70959547E+03 F= 0.65606930E+03 E0= 0.68680767E+03 EK= 0.53526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355664400711E+03 0.97900E+00 -0.17495E-01 7764 0.234E+01 0.267E-01 RMM: 2 -0.355682518455E+03 -0.18118E-01 -0.11377E-01 5025 0.798E-01 0.118E+00 RMM: 3 -0.355673382501E+03 0.91360E-02 -0.12058E-02 5507 0.230E-01 0.228E-01 RMM: 4 -0.355673182260E+03 0.20024E-03 -0.12217E-03 4724 0.789E-02 0.190E-01 RMM: 5 -0.355673009594E+03 0.17267E-03 -0.22003E-04 3886 0.348E-02 0.128E-01 RMM: 6 -0.355672918189E+03 0.91405E-04 -0.75090E-05 3545 0.245E-02 0.529E-02 RMM: 7 -0.355672959322E+03 -0.41133E-04 -0.67930E-05 3477 0.220E-02 0.103E-01 RMM: 8 -0.355672893218E+03 0.66104E-04 -0.38301E-05 3042 0.193E-02 0.290E-02 RMM: 9 -0.355672890350E+03 0.28679E-05 -0.96299E-06 2457 0.860E-03 1414 T= 6225. E= 0.70839509E+03 F= 0.65689685E+03 E0= 0.68762737E+03 EK= 0.51498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355068361862E+03 0.60453E+00 -0.17068E-01 7740 0.231E+01 0.263E-01 RMM: 2 -0.355083990767E+03 -0.15629E-01 -0.10661E-01 5047 0.775E-01 0.107E+00 RMM: 3 -0.355076538466E+03 0.74523E-02 -0.10997E-02 5540 0.218E-01 0.200E-01 RMM: 4 -0.355076502485E+03 0.35981E-04 -0.10803E-03 4672 0.738E-02 0.227E-01 RMM: 5 -0.355076278735E+03 0.22375E-03 -0.25423E-04 3911 0.399E-02 0.146E-01 RMM: 6 -0.355076143281E+03 0.13545E-03 -0.10815E-04 3744 0.297E-02 0.351E-02 RMM: 7 -0.355076170178E+03 -0.26897E-04 -0.35406E-05 2908 0.173E-02 0.794E-02 RMM: 8 -0.355076130635E+03 0.39543E-04 -0.22294E-05 2551 0.153E-02 0.282E-02 RMM: 9 -0.355076126264E+03 0.43714E-05 -0.74923E-06 2444 0.772E-03 1415 T= 6096. E= 0.70777900E+03 F= 0.65734713E+03 E0= 0.68807285E+03 EK= 0.50432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354858625631E+03 0.21751E+00 -0.17284E-01 7716 0.230E+01 0.212E-01 RMM: 2 -0.354869917953E+03 -0.11292E-01 -0.94803E-02 5126 0.729E-01 0.747E-01 RMM: 3 -0.354866222945E+03 0.36950E-02 -0.89161E-03 5765 0.180E-01 0.157E-01 RMM: 4 -0.354866209222E+03 0.13722E-04 -0.76052E-04 4620 0.670E-02 0.214E-01 RMM: 5 -0.354865928396E+03 0.28083E-03 -0.20870E-04 3892 0.374E-02 0.872E-02 RMM: 6 -0.354865901173E+03 0.27223E-04 -0.59548E-05 3363 0.218E-02 0.640E-02 RMM: 7 -0.354865912532E+03 -0.11360E-04 -0.49378E-05 3203 0.200E-02 1416 T= 6123. E= 0.70806129E+03 F= 0.65740838E+03 E0= 0.68813285E+03 EK= 0.50653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355017000988E+03 -0.15110E+00 -0.17372E-01 7668 0.233E+01 0.236E-01 RMM: 2 -0.355029722229E+03 -0.12721E-01 -0.91685E-02 5182 0.735E-01 0.948E-01 RMM: 3 -0.355024091976E+03 0.56303E-02 -0.89366E-03 5577 0.197E-01 0.191E-01 RMM: 4 -0.355023935291E+03 0.15669E-03 -0.79395E-04 4630 0.632E-02 0.172E-01 RMM: 5 -0.355023786948E+03 0.14834E-03 -0.20695E-04 3886 0.380E-02 0.118E-01 RMM: 6 -0.355023723915E+03 0.63033E-04 -0.92909E-05 3650 0.268E-02 0.690E-02 RMM: 7 -0.355023761420E+03 -0.37505E-04 -0.65117E-05 3454 0.224E-02 0.109E-01 RMM: 8 -0.355023685417E+03 0.76003E-04 -0.32286E-05 2940 0.181E-02 0.326E-02 RMM: 9 -0.355023680993E+03 0.44231E-05 -0.10973E-05 2459 0.913E-03 1417 T= 6296. E= 0.70918294E+03 F= 0.65710046E+03 E0= 0.68782748E+03 EK= 0.52082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355492596191E+03 -0.46891E+00 -0.18045E-01 7800 0.237E+01 0.224E-01 RMM: 2 -0.355505789796E+03 -0.13194E-01 -0.95135E-02 5178 0.748E-01 0.945E-01 RMM: 3 -0.355500026339E+03 0.57635E-02 -0.89714E-03 5554 0.196E-01 0.164E-01 RMM: 4 -0.355499941616E+03 0.84723E-04 -0.75946E-04 4631 0.628E-02 0.174E-01 RMM: 5 -0.355499781990E+03 0.15963E-03 -0.20952E-04 3894 0.391E-02 0.103E-01 RMM: 6 -0.355499733813E+03 0.48177E-04 -0.90317E-05 3657 0.265E-02 0.636E-02 RMM: 7 -0.355499760515E+03 -0.26702E-04 -0.46977E-05 3188 0.197E-02 0.951E-02 RMM: 8 -0.355499701731E+03 0.58784E-04 -0.26261E-05 2748 0.167E-02 0.210E-02 RMM: 9 -0.355499699954E+03 0.17769E-05 -0.65996E-06 2439 0.702E-03 1418 T= 6557. E= 0.71071588E+03 F= 0.65647403E+03 E0= 0.68720625E+03 EK= 0.54242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356205294289E+03 -0.70559E+00 -0.18885E-01 7872 0.242E+01 0.194E-01 RMM: 2 -0.356216799069E+03 -0.11505E-01 -0.92551E-02 5202 0.742E-01 0.800E-01 RMM: 3 -0.356212853914E+03 0.39452E-02 -0.82221E-03 5661 0.179E-01 0.175E-01 RMM: 4 -0.356212649638E+03 0.20428E-03 -0.58683E-04 4586 0.584E-02 0.140E-01 RMM: 5 -0.356212519932E+03 0.12971E-03 -0.18527E-04 3890 0.379E-02 0.906E-02 RMM: 6 -0.356212530406E+03 -0.10474E-04 -0.93359E-05 3671 0.260E-02 1419 T= 6807. E= 0.71192637E+03 F= 0.65561061E+03 E0= 0.68634844E+03 EK= 0.56316E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357052508987E+03 -0.83999E+00 -0.19521E-01 7872 0.246E+01 0.344E-01 RMM: 2 -0.357084527193E+03 -0.32018E-01 -0.11047E-01 5074 0.820E-01 0.193E+00 RMM: 3 -0.357060804109E+03 0.23723E-01 -0.15647E-02 5348 0.301E-01 0.348E-01 RMM: 4 -0.357060054862E+03 0.74925E-03 -0.16251E-03 4763 0.812E-02 0.127E-01 RMM: 5 -0.357060028841E+03 0.26021E-04 -0.32209E-04 4163 0.478E-02 0.150E-01 RMM: 6 -0.357059909618E+03 0.11922E-03 -0.15720E-04 3870 0.341E-02 0.866E-02 RMM: 7 -0.357059982468E+03 -0.72850E-04 -0.13681E-04 3870 0.314E-02 0.139E-01 RMM: 8 -0.357059868782E+03 0.11369E-03 -0.63514E-05 3420 0.240E-02 0.621E-02 RMM: 9 -0.357059846896E+03 0.21886E-04 -0.17949E-05 2536 0.124E-02 0.293E-02 RMM: 10 -0.357059848826E+03 -0.19308E-05 -0.14153E-05 2476 0.106E-02 1420 T= 6939. E= 0.71201850E+03 F= 0.65461152E+03 E0= 0.68535339E+03 EK= 0.57407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357933159178E+03 -0.87331E+00 -0.19192E-01 7680 0.247E+01 0.309E-01 RMM: 2 -0.357959971303E+03 -0.26812E-01 -0.10084E-01 4970 0.791E-01 0.172E+00 RMM: 3 -0.357941073813E+03 0.18897E-01 -0.14058E-02 5342 0.282E-01 0.340E-01 RMM: 4 -0.357940345643E+03 0.72817E-03 -0.16480E-03 4946 0.878E-02 0.136E-01 RMM: 5 -0.357940353142E+03 -0.74986E-05 -0.32128E-04 4179 0.465E-02 0.164E-01 RMM: 6 -0.357940189662E+03 0.16348E-03 -0.12681E-04 3848 0.312E-02 0.515E-02 RMM: 7 -0.357940235190E+03 -0.45529E-04 -0.55442E-05 3313 0.198E-02 0.105E-01 RMM: 8 -0.357940170989E+03 0.64201E-04 -0.34933E-05 2928 0.191E-02 0.358E-02 RMM: 9 -0.357940163649E+03 0.73403E-05 -0.93260E-06 2455 0.890E-03 1421 T= 6887. E= 0.71055228E+03 F= 0.65357644E+03 E0= 0.68431740E+03 EK= 0.56976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358773788124E+03 -0.83362E+00 -0.18616E-01 7632 0.245E+01 0.205E-01 RMM: 2 -0.358784238867E+03 -0.10451E-01 -0.83428E-02 4895 0.696E-01 0.745E-01 RMM: 3 -0.358780503856E+03 0.37350E-02 -0.88127E-03 5536 0.195E-01 0.162E-01 RMM: 4 -0.358780565806E+03 -0.61950E-04 -0.71019E-04 4653 0.645E-02 0.220E-01 RMM: 5 -0.358780261324E+03 0.30448E-03 -0.23932E-04 3981 0.422E-02 0.899E-02 RMM: 6 -0.358780274574E+03 -0.13251E-04 -0.11585E-04 3776 0.288E-02 1422 T= 6669. E= 0.70774375E+03 F= 0.65257637E+03 E0= 0.68331167E+03 EK= 0.55167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359544956533E+03 -0.76470E+00 -0.17607E-01 7392 0.240E+01 0.340E-01 RMM: 2 -0.359575829591E+03 -0.30873E-01 -0.94954E-02 4844 0.750E-01 0.191E+00 RMM: 3 -0.359551961085E+03 0.23869E-01 -0.15576E-02 5354 0.299E-01 0.314E-01 RMM: 4 -0.359551473806E+03 0.48728E-03 -0.16719E-03 4987 0.856E-02 0.171E-01 RMM: 5 -0.359551478001E+03 -0.41946E-05 -0.33421E-04 4093 0.454E-02 0.195E-01 RMM: 6 -0.359551258242E+03 0.21976E-03 -0.16497E-04 3871 0.355E-02 0.735E-02 RMM: 7 -0.359551302463E+03 -0.44221E-04 -0.89438E-05 3638 0.248E-02 0.114E-01 RMM: 8 -0.359551227031E+03 0.75432E-04 -0.46685E-05 3198 0.209E-02 0.539E-02 RMM: 9 -0.359551210539E+03 0.16492E-04 -0.14478E-05 2509 0.113E-02 1423 T= 6372. E= 0.70435217E+03 F= 0.65163848E+03 E0= 0.68236302E+03 EK= 0.52714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360260655757E+03 -0.70943E+00 -0.17335E-01 7356 0.235E+01 0.354E-01 RMM: 2 -0.360292338106E+03 -0.31682E-01 -0.88166E-02 4796 0.737E-01 0.197E+00 RMM: 3 -0.360266933772E+03 0.25404E-01 -0.14761E-02 5347 0.297E-01 0.352E-01 RMM: 4 -0.360266286532E+03 0.64724E-03 -0.19568E-03 5127 0.963E-02 0.188E-01 RMM: 5 -0.360266276626E+03 0.99067E-05 -0.32612E-04 4099 0.445E-02 0.197E-01 RMM: 6 -0.360266041881E+03 0.23474E-03 -0.11101E-04 3682 0.294E-02 0.439E-02 RMM: 7 -0.360266053406E+03 -0.11525E-04 -0.36611E-05 2983 0.170E-02 1424 T= 6107. E= 0.70126608E+03 F= 0.65074884E+03 E0= 0.68145882E+03 EK= 0.50517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360955653609E+03 -0.68961E+00 -0.16390E-01 7548 0.231E+01 0.293E-01 RMM: 2 -0.360977456220E+03 -0.21803E-01 -0.82733E-02 4866 0.690E-01 0.153E+00 RMM: 3 -0.360961724272E+03 0.15732E-01 -0.11066E-02 5346 0.243E-01 0.212E-01 RMM: 4 -0.360961818658E+03 -0.94386E-04 -0.14072E-03 4872 0.834E-02 0.261E-01 RMM: 5 -0.360961571349E+03 0.24731E-03 -0.31049E-04 4047 0.440E-02 0.188E-01 RMM: 6 -0.360961357621E+03 0.21373E-03 -0.13749E-04 3858 0.319E-02 0.505E-02 RMM: 7 -0.360961403849E+03 -0.46228E-04 -0.75592E-05 3506 0.234E-02 0.103E-01 RMM: 8 -0.360961339382E+03 0.64467E-04 -0.37864E-05 3060 0.195E-02 0.381E-02 RMM: 9 -0.360961332538E+03 0.68441E-05 -0.10750E-05 2466 0.926E-03 1425 T= 5957. E= 0.69914841E+03 F= 0.64987137E+03 E0= 0.68056393E+03 EK= 0.49277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361666165757E+03 -0.70483E+00 -0.15890E-01 7608 0.229E+01 0.238E-01 RMM: 2 -0.361678324175E+03 -0.12158E-01 -0.77603E-02 4827 0.655E-01 0.969E-01 RMM: 3 -0.361672091883E+03 0.62323E-02 -0.87586E-03 5411 0.202E-01 0.192E-01 RMM: 4 -0.361672285166E+03 -0.19328E-03 -0.10189E-03 4696 0.739E-02 0.267E-01 RMM: 5 -0.361671889314E+03 0.39585E-03 -0.27791E-04 3995 0.430E-02 0.127E-01 RMM: 6 -0.361671792898E+03 0.96416E-04 -0.94462E-05 3613 0.274E-02 0.508E-02 RMM: 7 -0.361671824962E+03 -0.32064E-04 -0.49223E-05 3200 0.195E-02 0.908E-02 RMM: 8 -0.361671770564E+03 0.54399E-04 -0.29448E-05 2809 0.178E-02 0.215E-02 RMM: 9 -0.361671769750E+03 0.81406E-06 -0.79568E-06 2445 0.796E-03 1426 T= 5964. E= 0.69831027E+03 F= 0.64897298E+03 E0= 0.67964662E+03 EK= 0.49337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362407529568E+03 -0.73576E+00 -0.15850E-01 7812 0.230E+01 0.220E-01 RMM: 2 -0.362418455156E+03 -0.10926E-01 -0.78261E-02 4967 0.647E-01 0.830E-01 RMM: 3 -0.362413648862E+03 0.48063E-02 -0.79905E-03 5437 0.182E-01 0.180E-01 RMM: 4 -0.362413640625E+03 0.82374E-05 -0.85529E-04 4668 0.693E-02 0.210E-01 RMM: 5 -0.362413412176E+03 0.22845E-03 -0.25746E-04 3944 0.422E-02 0.122E-01 RMM: 6 -0.362413342490E+03 0.69686E-04 -0.10505E-04 3762 0.285E-02 0.711E-02 RMM: 7 -0.362413377204E+03 -0.34714E-04 -0.62950E-05 3377 0.221E-02 0.107E-01 RMM: 8 -0.362413306287E+03 0.70917E-04 -0.35332E-05 3084 0.188E-02 0.288E-02 RMM: 9 -0.362413303351E+03 0.29356E-05 -0.85940E-06 2452 0.836E-03 1427 T= 6126. E= 0.69871517E+03 F= 0.64803996E+03 E0= 0.67869412E+03 EK= 0.50675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363165605862E+03 -0.75230E+00 -0.16471E-01 8052 0.234E+01 0.219E-01 RMM: 2 -0.363177893172E+03 -0.12287E-01 -0.75976E-02 5032 0.639E-01 0.975E-01 RMM: 3 -0.363171484726E+03 0.64084E-02 -0.76096E-03 5448 0.182E-01 0.180E-01 RMM: 4 -0.363171415380E+03 0.69346E-04 -0.78878E-04 4648 0.654E-02 0.183E-01 RMM: 5 -0.363171232922E+03 0.18246E-03 -0.26865E-04 4007 0.443E-02 0.113E-01 RMM: 6 -0.363171197045E+03 0.35877E-04 -0.11838E-04 3855 0.295E-02 0.884E-02 RMM: 7 -0.363171218274E+03 -0.21229E-04 -0.63108E-05 3430 0.223E-02 0.111E-01 RMM: 8 -0.363171141657E+03 0.76617E-04 -0.35186E-05 3062 0.186E-02 0.266E-02 RMM: 9 -0.363171140800E+03 0.85741E-06 -0.88222E-06 2458 0.833E-03 1428 T= 6394. E= 0.69998557E+03 F= 0.64708911E+03 E0= 0.67772375E+03 EK= 0.52896E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363889297734E+03 -0.71816E+00 -0.17170E-01 8232 0.238E+01 0.209E-01 RMM: 2 -0.363901508190E+03 -0.12210E-01 -0.83183E-02 5173 0.657E-01 0.916E-01 RMM: 3 -0.363895775905E+03 0.57323E-02 -0.74051E-03 5481 0.179E-01 0.184E-01 RMM: 4 -0.363895616157E+03 0.15975E-03 -0.71774E-04 4647 0.604E-02 0.151E-01 RMM: 5 -0.363895487714E+03 0.12844E-03 -0.24035E-04 3896 0.427E-02 0.114E-01 RMM: 6 -0.363895472326E+03 0.15388E-04 -0.13874E-04 3851 0.315E-02 1429 T= 6679. E= 0.70142550E+03 F= 0.64617120E+03 E0= 0.67678792E+03 EK= 0.55254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364508184419E+03 -0.61270E+00 -0.18464E-01 8424 0.242E+01 0.400E-01 RMM: 2 -0.364548626736E+03 -0.40442E-01 -0.10583E-01 5223 0.756E-01 0.225E+00 RMM: 3 -0.364515313108E+03 0.33314E-01 -0.17900E-02 5351 0.327E-01 0.353E-01 RMM: 4 -0.364514576731E+03 0.73638E-03 -0.18883E-03 4785 0.867E-02 0.157E-01 RMM: 5 -0.364514536976E+03 0.39756E-04 -0.42537E-04 4515 0.550E-02 0.185E-01 RMM: 6 -0.364514368953E+03 0.16802E-03 -0.28214E-04 3999 0.453E-02 0.109E-01 RMM: 7 -0.364514488964E+03 -0.12001E-03 -0.17997E-04 3892 0.356E-02 0.175E-01 RMM: 8 -0.364514298722E+03 0.19024E-03 -0.10096E-04 3753 0.296E-02 0.568E-02 RMM: 9 -0.364514284990E+03 0.13732E-04 -0.22082E-05 2666 0.136E-02 1430 T= 6869. E= 0.70218381E+03 F= 0.64535783E+03 E0= 0.67595882E+03 EK= 0.56826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364953426873E+03 -0.43913E+00 -0.18931E-01 8808 0.243E+01 0.359E-01 RMM: 2 -0.364992044106E+03 -0.38617E-01 -0.10750E-01 5187 0.739E-01 0.218E+00 RMM: 3 -0.364961307997E+03 0.30736E-01 -0.15569E-02 5348 0.303E-01 0.396E-01 RMM: 4 -0.364960306617E+03 0.10014E-02 -0.20398E-03 4889 0.947E-02 0.147E-01 RMM: 5 -0.364960332624E+03 -0.26007E-04 -0.38372E-04 4374 0.508E-02 0.179E-01 RMM: 6 -0.364960121455E+03 0.21117E-03 -0.15974E-04 3880 0.342E-02 0.587E-02 RMM: 7 -0.364960200717E+03 -0.79262E-04 -0.94087E-05 3704 0.253E-02 0.129E-01 RMM: 8 -0.364960096577E+03 0.10414E-03 -0.49641E-05 3266 0.216E-02 0.337E-02 RMM: 9 -0.364960090941E+03 0.56360E-05 -0.10261E-05 2477 0.923E-03 1431 T= 6880. E= 0.70163258E+03 F= 0.64471475E+03 E0= 0.67530436E+03 EK= 0.56918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365187053116E+03 -0.22696E+00 -0.19037E-01 8784 0.240E+01 0.306E-01 RMM: 2 -0.365211440361E+03 -0.24387E-01 -0.10658E-01 5253 0.720E-01 0.156E+00 RMM: 3 -0.365194846035E+03 0.16594E-01 -0.11073E-02 5391 0.238E-01 0.280E-01 RMM: 4 -0.365194426435E+03 0.41960E-03 -0.13633E-03 4691 0.801E-02 0.167E-01 RMM: 5 -0.365194349429E+03 0.77006E-04 -0.37987E-04 4423 0.515E-02 0.170E-01 RMM: 6 -0.365194205542E+03 0.14389E-03 -0.18074E-04 3884 0.358E-02 0.910E-02 RMM: 7 -0.365194286632E+03 -0.81090E-04 -0.13199E-04 3884 0.308E-02 0.146E-01 RMM: 8 -0.365194154878E+03 0.13175E-03 -0.64858E-05 3463 0.240E-02 0.472E-02 RMM: 9 -0.365194143900E+03 0.10978E-04 -0.13849E-05 2504 0.107E-02 1432 T= 6705. E= 0.69975069E+03 F= 0.64427832E+03 E0= 0.67486081E+03 EK= 0.55472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365212784170E+03 -0.18629E-01 -0.19645E-01 8616 0.236E+01 0.273E-01 RMM: 2 -0.365230643193E+03 -0.17859E-01 -0.11306E-01 5157 0.718E-01 0.116E+00 RMM: 3 -0.365221191840E+03 0.94514E-02 -0.99376E-03 5480 0.214E-01 0.209E-01 RMM: 4 -0.365221221547E+03 -0.29707E-04 -0.11246E-03 4714 0.749E-02 0.247E-01 RMM: 5 -0.365220904020E+03 0.31753E-03 -0.31963E-04 4092 0.464E-02 0.142E-01 RMM: 6 -0.365220800958E+03 0.10306E-03 -0.13975E-04 3875 0.320E-02 0.724E-02 RMM: 7 -0.365220859652E+03 -0.58694E-04 -0.80072E-05 3595 0.241E-02 0.124E-01 RMM: 8 -0.365220760930E+03 0.98722E-04 -0.46798E-05 3225 0.211E-02 0.291E-02 RMM: 9 -0.365220758977E+03 0.19531E-05 -0.10669E-05 2473 0.919E-03 1433 T= 6419. E= 0.69714570E+03 F= 0.64404208E+03 E0= 0.67462279E+03 EK= 0.53104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365072151257E+03 0.14861E+00 -0.19792E-01 8640 0.230E+01 0.257E-01 RMM: 2 -0.365086387570E+03 -0.14236E-01 -0.10814E-01 5309 0.682E-01 0.903E-01 RMM: 3 -0.365080132634E+03 0.62549E-02 -0.78880E-03 5463 0.190E-01 0.194E-01 RMM: 4 -0.365080352282E+03 -0.21965E-03 -0.11436E-03 4691 0.791E-02 0.284E-01 RMM: 5 -0.365079866773E+03 0.48551E-03 -0.34477E-04 4082 0.477E-02 0.120E-01 RMM: 6 -0.365079802125E+03 0.64648E-04 -0.10137E-04 3763 0.273E-02 0.744E-02 RMM: 7 -0.365079834294E+03 -0.32169E-04 -0.74056E-05 3579 0.231E-02 0.107E-01 RMM: 8 -0.365079761692E+03 0.72602E-04 -0.37548E-05 3069 0.193E-02 0.281E-02 RMM: 9 -0.365079758886E+03 0.28053E-05 -0.92595E-06 2460 0.844E-03 1434 T= 6132. E= 0.69469623E+03 F= 0.64396516E+03 E0= 0.67454894E+03 EK= 0.50731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364825602898E+03 0.25416E+00 -0.19862E-01 8628 0.226E+01 0.282E-01 RMM: 2 -0.364841565894E+03 -0.15963E-01 -0.11433E-01 5224 0.716E-01 0.101E+00 RMM: 3 -0.364834125535E+03 0.74404E-02 -0.91393E-03 5626 0.199E-01 0.210E-01 RMM: 4 -0.364834435850E+03 -0.31031E-03 -0.12696E-03 4741 0.842E-02 0.327E-01 RMM: 5 -0.364833798051E+03 0.63780E-03 -0.38087E-04 4159 0.491E-02 0.127E-01 RMM: 6 -0.364833715182E+03 0.82869E-04 -0.11264E-04 3819 0.285E-02 0.661E-02 RMM: 7 -0.364833764682E+03 -0.49500E-04 -0.73136E-05 3549 0.226E-02 0.117E-01 RMM: 8 -0.364833678861E+03 0.85821E-04 -0.41655E-05 3123 0.199E-02 0.277E-02 RMM: 9 -0.364833676940E+03 0.19212E-05 -0.99070E-06 2466 0.872E-03 1435 T= 5943. E= 0.69314688E+03 F= 0.64398562E+03 E0= 0.67457663E+03 EK= 0.49161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364539792130E+03 0.29389E+00 -0.19262E-01 8808 0.224E+01 0.257E-01 RMM: 2 -0.364551823817E+03 -0.12032E-01 -0.10081E-01 5367 0.657E-01 0.763E-01 RMM: 3 -0.364547199449E+03 0.46244E-02 -0.67636E-03 5550 0.173E-01 0.197E-01 RMM: 4 -0.364547561456E+03 -0.36201E-03 -0.11138E-03 4672 0.798E-02 0.319E-01 RMM: 5 -0.364546944827E+03 0.61663E-03 -0.37994E-04 4100 0.497E-02 0.127E-01 RMM: 6 -0.364546862848E+03 0.81978E-04 -0.10902E-04 3793 0.282E-02 0.673E-02 RMM: 7 -0.364546905633E+03 -0.42785E-04 -0.71772E-05 3541 0.229E-02 0.110E-01 RMM: 8 -0.364546826259E+03 0.79374E-04 -0.37450E-05 3072 0.191E-02 0.258E-02 RMM: 9 -0.364546824839E+03 0.14199E-05 -0.92377E-06 2460 0.829E-03 1436 T= 5908. E= 0.69291902E+03 F= 0.64404135E+03 E0= 0.67464298E+03 EK= 0.48878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364268008451E+03 0.27882E+00 -0.18695E-01 8772 0.225E+01 0.264E-01 RMM: 2 -0.364281986184E+03 -0.13978E-01 -0.94268E-02 5413 0.636E-01 0.995E-01 RMM: 3 -0.364274725436E+03 0.72607E-02 -0.69206E-03 5563 0.175E-01 0.188E-01 RMM: 4 -0.364275068766E+03 -0.34333E-03 -0.11057E-03 4646 0.784E-02 0.314E-01 RMM: 5 -0.364274495197E+03 0.57357E-03 -0.34551E-04 4015 0.473E-02 0.128E-01 RMM: 6 -0.364274409232E+03 0.85965E-04 -0.11015E-04 3848 0.286E-02 0.658E-02 RMM: 7 -0.364274442643E+03 -0.33411E-04 -0.68294E-05 3486 0.225E-02 0.105E-01 RMM: 8 -0.364274372666E+03 0.69977E-04 -0.36294E-05 3068 0.190E-02 0.248E-02 RMM: 9 -0.364274371706E+03 0.95978E-06 -0.88005E-06 2456 0.821E-03 1437 T= 6044. E= 0.69408445E+03 F= 0.64408033E+03 E0= 0.67469539E+03 EK= 0.50004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364050373164E+03 0.22400E+00 -0.18598E-01 8676 0.230E+01 0.241E-01 RMM: 2 -0.364061848405E+03 -0.11475E-01 -0.91603E-02 5359 0.636E-01 0.792E-01 RMM: 3 -0.364057111365E+03 0.47370E-02 -0.65718E-03 5636 0.168E-01 0.184E-01 RMM: 4 -0.364057287881E+03 -0.17652E-03 -0.90762E-04 4641 0.716E-02 0.268E-01 RMM: 5 -0.364056867812E+03 0.42007E-03 -0.33149E-04 4015 0.477E-02 0.125E-01 RMM: 6 -0.364056803085E+03 0.64726E-04 -0.13203E-04 3869 0.313E-02 0.815E-02 RMM: 7 -0.364056828267E+03 -0.25181E-04 -0.65430E-05 3503 0.228E-02 0.107E-01 RMM: 8 -0.364056754992E+03 0.73275E-04 -0.31179E-05 2970 0.178E-02 0.286E-02 RMM: 9 -0.364056752478E+03 0.25136E-05 -0.90494E-06 2459 0.836E-03 1438 T= 6321. E= 0.69635857E+03 F= 0.64406512E+03 E0= 0.67469546E+03 EK= 0.52293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363911298421E+03 0.14546E+00 -0.18457E-01 8616 0.235E+01 0.245E-01 RMM: 2 -0.363924905625E+03 -0.13607E-01 -0.89370E-02 5424 0.642E-01 0.991E-01 RMM: 3 -0.363917823595E+03 0.70820E-02 -0.66253E-03 5614 0.171E-01 0.171E-01 RMM: 4 -0.363917961627E+03 -0.13803E-03 -0.88596E-04 4627 0.707E-02 0.252E-01 RMM: 5 -0.363917606479E+03 0.35515E-03 -0.34270E-04 4169 0.493E-02 0.125E-01 RMM: 6 -0.363917557549E+03 0.48930E-04 -0.13425E-04 3879 0.308E-02 0.932E-02 RMM: 7 -0.363917550730E+03 0.68184E-05 -0.67668E-05 3534 0.239E-02 1439 T= 6660. E= 0.69906981E+03 F= 0.64397388E+03 E0= 0.67462054E+03 EK= 0.55096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363859649006E+03 0.57909E-01 -0.18091E-01 8436 0.241E+01 0.235E-01 RMM: 2 -0.363869568876E+03 -0.99199E-02 -0.90418E-02 5408 0.651E-01 0.642E-01 RMM: 3 -0.363866438464E+03 0.31304E-02 -0.63050E-03 5774 0.159E-01 0.194E-01 RMM: 4 -0.363866505370E+03 -0.66906E-04 -0.77000E-04 4621 0.681E-02 0.256E-01 RMM: 5 -0.363866076603E+03 0.42877E-03 -0.45106E-04 4496 0.569E-02 0.102E-01 RMM: 6 -0.363866163852E+03 -0.87249E-04 -0.21258E-04 3891 0.378E-02 0.158E-01 RMM: 7 -0.363866062482E+03 0.10137E-03 -0.10216E-04 3792 0.301E-02 0.104E-01 RMM: 8 -0.363865995237E+03 0.67246E-04 -0.40535E-05 3145 0.185E-02 0.343E-02 RMM: 9 -0.363865999198E+03 -0.39611E-05 -0.16663E-05 2509 0.116E-02 1440 T= 6943. E= 0.70123055E+03 F= 0.64379722E+03 E0= 0.67446178E+03 EK= 0.57433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363894799148E+03 -0.28804E-01 -0.17931E-01 8280 0.245E+01 0.231E-01 RMM: 2 -0.363908460103E+03 -0.13661E-01 -0.91089E-02 5308 0.678E-01 0.981E-01 RMM: 3 -0.363901761481E+03 0.66986E-02 -0.75497E-03 5613 0.178E-01 0.166E-01 RMM: 4 -0.363901758930E+03 0.25507E-05 -0.79084E-04 4645 0.660E-02 0.208E-01 RMM: 5 -0.363901513747E+03 0.24518E-03 -0.30533E-04 4136 0.481E-02 0.110E-01 RMM: 6 -0.363901490942E+03 0.22805E-04 -0.13821E-04 3873 0.315E-02 0.944E-02 RMM: 7 -0.363901487762E+03 0.31798E-05 -0.53144E-05 3324 0.214E-02 1441 T= 7053. E= 0.70188249E+03 F= 0.64353363E+03 E0= 0.67421534E+03 EK= 0.58349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364016225325E+03 -0.11473E+00 -0.17702E-01 7992 0.245E+01 0.256E-01 RMM: 2 -0.364025338768E+03 -0.91134E-02 -0.88557E-02 5384 0.654E-01 0.595E-01 RMM: 3 -0.364022680452E+03 0.26583E-02 -0.63783E-03 5714 0.159E-01 0.205E-01 RMM: 4 -0.364022940065E+03 -0.25961E-03 -0.89258E-04 4643 0.739E-02 0.319E-01 RMM: 5 -0.364022255594E+03 0.68447E-03 -0.51158E-04 4539 0.598E-02 0.890E-02 RMM: 6 -0.364022384431E+03 -0.12884E-03 -0.24100E-04 3898 0.401E-02 0.171E-01 RMM: 7 -0.364022218485E+03 0.16595E-03 -0.11268E-04 3814 0.320E-02 0.722E-02 RMM: 8 -0.364022188875E+03 0.29610E-04 -0.20949E-05 2602 0.135E-02 0.328E-02 RMM: 9 -0.364022194454E+03 -0.55796E-05 -0.16543E-05 2502 0.114E-02 1442 T= 6943. E= 0.70062164E+03 F= 0.64318155E+03 E0= 0.67388205E+03 EK= 0.57440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364226887086E+03 -0.20470E+00 -0.17299E-01 7716 0.242E+01 0.245E-01 RMM: 2 -0.364238386660E+03 -0.11500E-01 -0.90424E-02 5232 0.681E-01 0.836E-01 RMM: 3 -0.364233495967E+03 0.48907E-02 -0.77518E-03 5767 0.175E-01 0.188E-01 RMM: 4 -0.364233522817E+03 -0.26849E-04 -0.90353E-04 4650 0.728E-02 0.242E-01 RMM: 5 -0.364233214450E+03 0.30837E-03 -0.32934E-04 4120 0.483E-02 0.139E-01 RMM: 6 -0.364233122311E+03 0.92139E-04 -0.14787E-04 3873 0.332E-02 0.738E-02 RMM: 7 -0.364233142420E+03 -0.20109E-04 -0.52737E-05 3307 0.211E-02 0.971E-02 RMM: 8 -0.364233081596E+03 0.60824E-04 -0.26415E-05 2814 0.166E-02 0.244E-02 RMM: 9 -0.364233079742E+03 0.18541E-05 -0.72934E-06 2443 0.749E-03 1443 T= 6664. E= 0.69786363E+03 F= 0.64273240E+03 E0= 0.67345054E+03 EK= 0.55131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364541896858E+03 -0.30882E+00 -0.16492E-01 7680 0.237E+01 0.289E-01 RMM: 2 -0.364552147315E+03 -0.10250E-01 -0.83902E-02 5309 0.645E-01 0.808E-01 RMM: 3 -0.364547591888E+03 0.45554E-02 -0.69140E-03 5600 0.170E-01 0.222E-01 RMM: 4 -0.364547945829E+03 -0.35394E-03 -0.11983E-03 4665 0.850E-02 0.344E-01 RMM: 5 -0.364547248628E+03 0.69720E-03 -0.48637E-04 4488 0.572E-02 0.153E-01 RMM: 6 -0.364547128402E+03 0.12023E-03 -0.17437E-04 3887 0.344E-02 0.800E-02 RMM: 7 -0.364547178802E+03 -0.50399E-04 -0.88901E-05 3688 0.259E-02 0.126E-01 RMM: 8 -0.364547078797E+03 0.10001E-03 -0.43045E-05 3202 0.199E-02 0.330E-02 RMM: 9 -0.364547075445E+03 0.33522E-05 -0.11167E-05 2477 0.918E-03 1444 T= 6333. E= 0.69456419E+03 F= 0.64217050E+03 E0= 0.67290720E+03 EK= 0.52394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364974999666E+03 -0.42792E+00 -0.15432E-01 7716 0.231E+01 0.290E-01 RMM: 2 -0.364987702579E+03 -0.12703E-01 -0.83538E-02 5229 0.653E-01 0.103E+00 RMM: 3 -0.364980648216E+03 0.70544E-02 -0.75842E-03 5539 0.183E-01 0.212E-01 RMM: 4 -0.364981006459E+03 -0.35824E-03 -0.13350E-03 4670 0.890E-02 0.330E-01 RMM: 5 -0.364980365063E+03 0.64140E-03 -0.43288E-04 4281 0.530E-02 0.149E-01 RMM: 6 -0.364980250726E+03 0.11434E-03 -0.15329E-04 3880 0.328E-02 0.767E-02 RMM: 7 -0.364980300170E+03 -0.49444E-04 -0.78987E-05 3592 0.242E-02 0.120E-01 RMM: 8 -0.364980204927E+03 0.95242E-04 -0.44735E-05 3189 0.206E-02 0.288E-02 RMM: 9 -0.364980202707E+03 0.22204E-05 -0.99716E-06 2466 0.880E-03 1445 T= 6069. E= 0.69168829E+03 F= 0.64147891E+03 E0= 0.67223469E+03 EK= 0.50209E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365537009267E+03 -0.55680E+00 -0.14743E-01 7764 0.228E+01 0.304E-01 RMM: 2 -0.365549879728E+03 -0.12870E-01 -0.77592E-02 5229 0.638E-01 0.108E+00 RMM: 3 -0.365542150617E+03 0.77291E-02 -0.77213E-03 5475 0.189E-01 0.233E-01 RMM: 4 -0.365542442007E+03 -0.29139E-03 -0.14035E-03 4698 0.905E-02 0.327E-01 RMM: 5 -0.365541883485E+03 0.55852E-03 -0.46670E-04 4415 0.553E-02 0.184E-01 RMM: 6 -0.365541681806E+03 0.20168E-03 -0.17219E-04 3886 0.344E-02 0.681E-02 RMM: 7 -0.365541756560E+03 -0.74755E-04 -0.98462E-05 3740 0.263E-02 0.132E-01 RMM: 8 -0.365541644039E+03 0.11252E-03 -0.49486E-05 3280 0.214E-02 0.328E-02 RMM: 9 -0.365541639994E+03 0.40448E-05 -0.11063E-05 2484 0.931E-03 1446 T= 5950. E= 0.68987085E+03 F= 0.64064954E+03 E0= 0.67142509E+03 EK= 0.49221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366220317225E+03 -0.67867E+00 -0.14334E-01 7812 0.228E+01 0.294E-01 RMM: 2 -0.366232923859E+03 -0.12607E-01 -0.70421E-02 5300 0.612E-01 0.112E+00 RMM: 3 -0.366224815597E+03 0.81083E-02 -0.67280E-03 5450 0.180E-01 0.211E-01 RMM: 4 -0.366225127701E+03 -0.31210E-03 -0.13036E-03 4649 0.874E-02 0.320E-01 RMM: 5 -0.366224563892E+03 0.56381E-03 -0.46235E-04 4488 0.558E-02 0.165E-01 RMM: 6 -0.366224422628E+03 0.14126E-03 -0.17868E-04 3888 0.345E-02 0.847E-02 RMM: 7 -0.366224477321E+03 -0.54693E-04 -0.96974E-05 3733 0.270E-02 0.129E-01 RMM: 8 -0.366224368989E+03 0.10833E-03 -0.51150E-05 3298 0.216E-02 0.325E-02 RMM: 9 -0.366224365372E+03 0.36168E-05 -0.10249E-05 2474 0.896E-03 1447 T= 6002. E= 0.68934752E+03 F= 0.63969214E+03 E0= 0.67048801E+03 EK= 0.49655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366991943305E+03 -0.76757E+00 -0.14564E-01 7836 0.231E+01 0.280E-01 RMM: 2 -0.367004142584E+03 -0.12199E-01 -0.70130E-02 5306 0.617E-01 0.107E+00 RMM: 3 -0.366996653601E+03 0.74890E-02 -0.68330E-03 5450 0.181E-01 0.223E-01 RMM: 4 -0.366996745463E+03 -0.91862E-04 -0.11375E-03 4633 0.812E-02 0.273E-01 RMM: 5 -0.366996380341E+03 0.36512E-03 -0.46993E-04 4524 0.574E-02 0.175E-01 RMM: 6 -0.366996221893E+03 0.15845E-03 -0.19428E-04 3893 0.362E-02 0.876E-02 RMM: 7 -0.366996281415E+03 -0.59522E-04 -0.10560E-04 3834 0.283E-02 0.135E-01 RMM: 8 -0.366996165011E+03 0.11640E-03 -0.49422E-05 3301 0.212E-02 0.325E-02 RMM: 9 -0.366996161296E+03 0.37153E-05 -0.10789E-05 2480 0.926E-03 1448 T= 6206. E= 0.68998536E+03 F= 0.63864221E+03 E0= 0.66945832E+03 EK= 0.51343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367792202250E+03 -0.79604E+00 -0.15492E-01 7740 0.236E+01 0.275E-01 RMM: 2 -0.367805030446E+03 -0.12828E-01 -0.73412E-02 5347 0.642E-01 0.111E+00 RMM: 3 -0.367797211976E+03 0.78185E-02 -0.67917E-03 5475 0.181E-01 0.216E-01 RMM: 4 -0.367797171739E+03 0.40237E-04 -0.10364E-03 4627 0.771E-02 0.239E-01 RMM: 5 -0.367796884315E+03 0.28742E-03 -0.49440E-04 4580 0.607E-02 0.161E-01 RMM: 6 -0.367796799503E+03 0.84812E-04 -0.21805E-04 3893 0.382E-02 0.118E-01 RMM: 7 -0.367796822491E+03 -0.22988E-04 -0.11619E-04 3860 0.307E-02 0.136E-01 RMM: 8 -0.367796702794E+03 0.11970E-03 -0.56229E-05 3372 0.220E-02 0.333E-02 RMM: 9 -0.367796699933E+03 0.28612E-05 -0.11164E-05 2481 0.942E-03 1449 T= 6495. E= 0.69129628E+03 F= 0.63756257E+03 E0= 0.66839763E+03 EK= 0.53734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368538219926E+03 -0.74152E+00 -0.16254E-01 7656 0.241E+01 0.268E-01 RMM: 2 -0.368551255480E+03 -0.13036E-01 -0.78181E-02 5359 0.669E-01 0.109E+00 RMM: 3 -0.368543773943E+03 0.74815E-02 -0.71253E-03 5429 0.185E-01 0.226E-01 RMM: 4 -0.368543643030E+03 0.13091E-03 -0.95444E-04 4624 0.734E-02 0.216E-01 RMM: 5 -0.368543404569E+03 0.23846E-03 -0.50502E-04 4584 0.620E-02 0.158E-01 RMM: 6 -0.368543340802E+03 0.63767E-04 -0.24639E-04 3894 0.407E-02 0.128E-01 RMM: 7 -0.368543352640E+03 -0.11838E-04 -0.12163E-04 3873 0.316E-02 1450 T= 6764. E= 0.69249392E+03 F= 0.63653660E+03 E0= 0.66738793E+03 EK= 0.55957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369139718623E+03 -0.59638E+00 -0.16995E-01 7548 0.245E+01 0.286E-01 RMM: 2 -0.369150562022E+03 -0.10843E-01 -0.84915E-02 5331 0.699E-01 0.873E-01 RMM: 3 -0.369145818577E+03 0.47434E-02 -0.76583E-03 5575 0.181E-01 0.233E-01 RMM: 4 -0.369145780731E+03 0.37847E-04 -0.10193E-03 4626 0.780E-02 0.278E-01 RMM: 5 -0.369145289517E+03 0.49121E-03 -0.73432E-04 4605 0.753E-02 0.137E-01 RMM: 6 -0.369145441811E+03 -0.15229E-03 -0.33187E-04 3938 0.465E-02 0.209E-01 RMM: 7 -0.369145259943E+03 0.18187E-03 -0.16083E-04 3880 0.381E-02 0.132E-01 RMM: 8 -0.369145149205E+03 0.11074E-03 -0.67516E-05 3480 0.233E-02 0.377E-02 RMM: 9 -0.369145154458E+03 -0.52532E-05 -0.23533E-05 2602 0.140E-02 1451 T= 6901. E= 0.69274365E+03 F= 0.63565394E+03 E0= 0.66651515E+03 EK= 0.57090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369526735419E+03 -0.38159E+00 -0.17449E-01 7932 0.246E+01 0.253E-01 RMM: 2 -0.369540541438E+03 -0.13806E-01 -0.88904E-02 5227 0.714E-01 0.106E+00 RMM: 3 -0.369533397153E+03 0.71443E-02 -0.84934E-03 5501 0.197E-01 0.202E-01 RMM: 4 -0.369533305751E+03 0.91401E-04 -0.93646E-04 4647 0.719E-02 0.209E-01 RMM: 5 -0.369533069345E+03 0.23641E-03 -0.41097E-04 4555 0.560E-02 0.136E-01 RMM: 6 -0.369533021860E+03 0.47486E-04 -0.20543E-04 3886 0.375E-02 0.109E-01 RMM: 7 -0.369533045346E+03 -0.23486E-04 -0.85319E-05 3678 0.265E-02 0.128E-01 RMM: 8 -0.369532939890E+03 0.10546E-03 -0.39117E-05 3121 0.191E-02 0.285E-02 RMM: 9 -0.369532936512E+03 0.33782E-05 -0.86102E-06 2462 0.813E-03 1452 T= 6843. E= 0.69159035E+03 F= 0.63498081E+03 E0= 0.66584476E+03 EK= 0.56610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369675967418E+03 -0.14303E+00 -0.17405E-01 7692 0.243E+01 0.303E-01 RMM: 2 -0.369686289786E+03 -0.10322E-01 -0.82079E-02 5224 0.680E-01 0.859E-01 RMM: 3 -0.369681467593E+03 0.48222E-02 -0.75568E-03 5603 0.183E-01 0.218E-01 RMM: 4 -0.369681869407E+03 -0.40181E-03 -0.14022E-03 4720 0.943E-02 0.367E-01 RMM: 5 -0.369681066048E+03 0.80336E-03 -0.69141E-04 4602 0.703E-02 0.152E-01 RMM: 6 -0.369681032837E+03 0.33211E-04 -0.23719E-04 3892 0.394E-02 0.141E-01 RMM: 7 -0.369681010740E+03 0.22097E-04 -0.11910E-04 3852 0.322E-02 0.135E-01 RMM: 8 -0.369680897455E+03 0.11328E-03 -0.52561E-05 3332 0.213E-02 0.361E-02 RMM: 9 -0.369680896043E+03 0.14116E-05 -0.15588E-05 2498 0.113E-02 1453 T= 6614. E= 0.68925673E+03 F= 0.63453956E+03 E0= 0.66539888E+03 EK= 0.54717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369601279423E+03 0.79618E-01 -0.16891E-01 7572 0.238E+01 0.304E-01 RMM: 2 -0.369614818460E+03 -0.13539E-01 -0.78881E-02 5056 0.670E-01 0.112E+00 RMM: 3 -0.369606499192E+03 0.83193E-02 -0.85324E-03 5426 0.208E-01 0.208E-01 RMM: 4 -0.369607003972E+03 -0.50478E-03 -0.14758E-03 4824 0.939E-02 0.366E-01 RMM: 5 -0.369606217803E+03 0.78617E-03 -0.57463E-04 4585 0.635E-02 0.148E-01 RMM: 6 -0.369606135992E+03 0.81811E-04 -0.17446E-04 3893 0.338E-02 0.104E-01 RMM: 7 -0.369606159503E+03 -0.23512E-04 -0.91510E-05 3748 0.271E-02 0.126E-01 RMM: 8 -0.369606057643E+03 0.10186E-03 -0.44751E-05 3230 0.204E-02 0.282E-02 RMM: 9 -0.369606058324E+03 -0.68034E-06 -0.10928E-05 2481 0.934E-03 1454 T= 6310. E= 0.68651061E+03 F= 0.63431056E+03 E0= 0.66515828E+03 EK= 0.52200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369350189128E+03 0.25587E+00 -0.16076E-01 7644 0.233E+01 0.319E-01 RMM: 2 -0.369360296140E+03 -0.10107E-01 -0.72009E-02 5035 0.635E-01 0.920E-01 RMM: 3 -0.369354736366E+03 0.55598E-02 -0.76429E-03 5429 0.193E-01 0.238E-01 RMM: 4 -0.369355388917E+03 -0.65255E-03 -0.16614E-03 4908 0.101E-01 0.409E-01 RMM: 5 -0.369354427768E+03 0.96115E-03 -0.66851E-04 4602 0.692E-02 0.180E-01 RMM: 6 -0.369354246991E+03 0.18078E-03 -0.18324E-04 3891 0.348E-02 0.822E-02 RMM: 7 -0.369354299523E+03 -0.52533E-04 -0.91659E-05 3694 0.269E-02 0.129E-01 RMM: 8 -0.369354193297E+03 0.10623E-03 -0.45553E-05 3234 0.206E-02 0.270E-02 RMM: 9 -0.369354195811E+03 -0.25139E-05 -0.12442E-05 2484 0.989E-03 1455 T= 6042. E= 0.68423364E+03 F= 0.63424739E+03 E0= 0.66507896E+03 EK= 0.49986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368971272738E+03 0.38292E+00 -0.15483E-01 7680 0.229E+01 0.330E-01 RMM: 2 -0.368983512791E+03 -0.12240E-01 -0.67403E-02 4997 0.622E-01 0.111E+00 RMM: 3 -0.368975288231E+03 0.82246E-02 -0.79269E-03 5418 0.203E-01 0.237E-01 RMM: 4 -0.368976062367E+03 -0.77414E-03 -0.18261E-03 4997 0.105E-01 0.430E-01 RMM: 5 -0.368974991053E+03 0.10713E-02 -0.68407E-04 4598 0.695E-02 0.174E-01 RMM: 6 -0.368974829122E+03 0.16193E-03 -0.18710E-04 3886 0.354E-02 0.869E-02 RMM: 7 -0.368974869756E+03 -0.40634E-04 -0.10327E-04 3822 0.279E-02 0.122E-01 RMM: 8 -0.368974774374E+03 0.95382E-04 -0.49664E-05 3278 0.215E-02 0.372E-02 RMM: 9 -0.368974768958E+03 0.54153E-05 -0.10704E-05 2483 0.942E-03 1456 T= 5896. E= 0.68307862E+03 F= 0.63430245E+03 E0= 0.66511471E+03 EK= 0.48776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368501687774E+03 0.47309E+00 -0.15092E-01 7680 0.228E+01 0.321E-01 RMM: 2 -0.368511298497E+03 -0.96107E-02 -0.59947E-02 5033 0.592E-01 0.984E-01 RMM: 3 -0.368505120416E+03 0.61781E-02 -0.67652E-03 5392 0.187E-01 0.226E-01 RMM: 4 -0.368505976376E+03 -0.85596E-03 -0.15298E-03 4787 0.961E-02 0.440E-01 RMM: 5 -0.368504818463E+03 0.11579E-02 -0.66254E-04 4605 0.693E-02 0.162E-01 RMM: 6 -0.368504687539E+03 0.13092E-03 -0.19066E-04 3897 0.355E-02 0.898E-02 RMM: 7 -0.368504733483E+03 -0.45944E-04 -0.88015E-05 3695 0.266E-02 0.130E-01 RMM: 8 -0.368504624330E+03 0.10915E-03 -0.49394E-05 3301 0.212E-02 0.281E-02 RMM: 9 -0.368504627150E+03 -0.28205E-05 -0.13848E-05 2493 0.106E-02 1457 T= 5913. E= 0.68335597E+03 F= 0.63444282E+03 E0= 0.66523463E+03 EK= 0.48913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367956995835E+03 0.54763E+00 -0.15267E-01 7776 0.230E+01 0.312E-01 RMM: 2 -0.367968980962E+03 -0.11985E-01 -0.58992E-02 5089 0.590E-01 0.114E+00 RMM: 3 -0.367960429748E+03 0.85512E-02 -0.70467E-03 5367 0.195E-01 0.221E-01 RMM: 4 -0.367960939659E+03 -0.50991E-03 -0.16224E-03 4828 0.993E-02 0.371E-01 RMM: 5 -0.367960146102E+03 0.79356E-03 -0.64170E-04 4595 0.681E-02 0.163E-01 RMM: 6 -0.367960023514E+03 0.12259E-03 -0.15681E-04 3880 0.324E-02 0.938E-02 RMM: 7 -0.367960023709E+03 -0.19476E-06 -0.92635E-05 3795 0.281E-02 1458 T= 6090. E= 0.68503757E+03 F= 0.63465707E+03 E0= 0.66542873E+03 EK= 0.50381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367331656867E+03 0.62837E+00 -0.15653E-01 7608 0.235E+01 0.315E-01 RMM: 2 -0.367339260154E+03 -0.76033E-02 -0.59135E-02 5153 0.593E-01 0.806E-01 RMM: 3 -0.367335210677E+03 0.40495E-02 -0.59501E-03 5428 0.171E-01 0.236E-01 RMM: 4 -0.367335803379E+03 -0.59270E-03 -0.14688E-03 4742 0.964E-02 0.409E-01 RMM: 5 -0.367334851334E+03 0.95204E-03 -0.81725E-04 4611 0.779E-02 0.174E-01 RMM: 6 -0.367334746738E+03 0.10460E-03 -0.23658E-04 3891 0.393E-02 0.127E-01 RMM: 7 -0.367334741719E+03 0.50188E-05 -0.13141E-04 3870 0.344E-02 1459 T= 6382. E= 0.68774791E+03 F= 0.63495548E+03 E0= 0.66570544E+03 EK= 0.52792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366605840511E+03 0.72891E+00 -0.16550E-01 7812 0.240E+01 0.308E-01 RMM: 2 -0.366616281247E+03 -0.10441E-01 -0.67726E-02 5073 0.651E-01 0.987E-01 RMM: 3 -0.366610195584E+03 0.60857E-02 -0.79041E-03 5389 0.204E-01 0.238E-01 RMM: 4 -0.366610337767E+03 -0.14218E-03 -0.12769E-03 4767 0.872E-02 0.308E-01 RMM: 5 -0.366609909065E+03 0.42870E-03 -0.71214E-04 4585 0.731E-02 0.201E-01 RMM: 6 -0.366609713566E+03 0.19550E-03 -0.28224E-04 3939 0.440E-02 0.109E-01 RMM: 7 -0.366609777257E+03 -0.63691E-04 -0.13470E-04 3858 0.338E-02 0.153E-01 RMM: 8 -0.366609632045E+03 0.14521E-03 -0.55393E-05 3381 0.227E-02 0.422E-02 RMM: 9 -0.366609626495E+03 0.55499E-05 -0.15909E-05 2521 0.115E-02 1460 T= 6696. E= 0.69075421E+03 F= 0.63535920E+03 E0= 0.66608815E+03 EK= 0.55395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365768447503E+03 0.84118E+00 -0.17497E-01 7356 0.244E+01 0.272E-01 RMM: 2 -0.365780023940E+03 -0.11576E-01 -0.66849E-02 5071 0.627E-01 0.104E+00 RMM: 3 -0.365773008595E+03 0.70153E-02 -0.71332E-03 5399 0.189E-01 0.181E-01 RMM: 4 -0.365773399959E+03 -0.39136E-03 -0.10578E-03 4676 0.787E-02 0.329E-01 RMM: 5 -0.365772763798E+03 0.63616E-03 -0.53626E-04 4600 0.650E-02 0.127E-01 RMM: 6 -0.365772729371E+03 0.34427E-04 -0.18563E-04 3890 0.356E-02 0.108E-01 RMM: 7 -0.365772727361E+03 0.20104E-05 -0.74077E-05 3603 0.259E-02 1461 T= 6918. E= 0.69310660E+03 F= 0.63587952E+03 E0= 0.66658556E+03 EK= 0.57227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364831294905E+03 0.94143E+00 -0.18336E-01 7440 0.246E+01 0.332E-01 RMM: 2 -0.364840426254E+03 -0.91313E-02 -0.69979E-02 5108 0.651E-01 0.869E-01 RMM: 3 -0.364835707274E+03 0.47190E-02 -0.76870E-03 5356 0.198E-01 0.265E-01 RMM: 4 -0.364836312734E+03 -0.60546E-03 -0.16445E-03 4886 0.102E-01 0.423E-01 RMM: 5 -0.364835225731E+03 0.10870E-02 -0.86493E-04 4604 0.793E-02 0.161E-01 RMM: 6 -0.364835193871E+03 0.31860E-04 -0.26932E-04 3905 0.418E-02 0.153E-01 RMM: 7 -0.364835140841E+03 0.53031E-04 -0.13788E-04 3866 0.354E-02 0.132E-01 RMM: 8 -0.364835034103E+03 0.10674E-03 -0.48450E-05 3282 0.208E-02 0.387E-02 RMM: 9 -0.364835040901E+03 -0.67976E-05 -0.22529E-05 2647 0.134E-02 1462 T= 6954. E= 0.69403200E+03 F= 0.63650248E+03 E0= 0.66718253E+03 EK= 0.57530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363832860719E+03 0.10022E+01 -0.18497E-01 7332 0.244E+01 0.289E-01 RMM: 2 -0.363843920587E+03 -0.11060E-01 -0.72122E-02 4883 0.660E-01 0.980E-01 RMM: 3 -0.363837732424E+03 0.61882E-02 -0.80535E-03 5393 0.201E-01 0.210E-01 RMM: 4 -0.363838163005E+03 -0.43058E-03 -0.14467E-03 4916 0.942E-02 0.348E-01 RMM: 5 -0.363837497624E+03 0.66538E-03 -0.54164E-04 4568 0.624E-02 0.162E-01 RMM: 6 -0.363837359184E+03 0.13844E-03 -0.16103E-04 3878 0.336E-02 0.760E-02 RMM: 7 -0.363837409000E+03 -0.49816E-04 -0.71505E-05 3525 0.239E-02 0.121E-01 RMM: 8 -0.363837315587E+03 0.93412E-04 -0.37432E-05 3114 0.193E-02 0.269E-02 RMM: 9 -0.363837313955E+03 0.16318E-05 -0.83347E-06 2466 0.813E-03 1463 T= 6793. E= 0.69337721E+03 F= 0.63718329E+03 E0= 0.66783337E+03 EK= 0.56194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362840998363E+03 0.99632E+00 -0.17892E-01 7308 0.240E+01 0.328E-01 RMM: 2 -0.362848631822E+03 -0.76335E-02 -0.66263E-02 5035 0.623E-01 0.759E-01 RMM: 3 -0.362844970760E+03 0.36611E-02 -0.67941E-03 5369 0.184E-01 0.272E-01 RMM: 4 -0.362845765868E+03 -0.79511E-03 -0.17489E-03 4962 0.107E-01 0.453E-01 RMM: 5 -0.362844479177E+03 0.12867E-02 -0.76709E-04 4579 0.735E-02 0.140E-01 RMM: 6 -0.362844410902E+03 0.68275E-04 -0.16956E-04 3886 0.335E-02 0.105E-01 RMM: 7 -0.362844414658E+03 -0.37553E-05 -0.87002E-05 3659 0.266E-02 1464 T= 6508. E= 0.69169187E+03 F= 0.63785336E+03 E0= 0.66846968E+03 EK= 0.53839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361917296787E+03 0.92711E+00 -0.17235E-01 7620 0.234E+01 0.373E-01 RMM: 2 -0.361928052691E+03 -0.10756E-01 -0.70145E-02 5010 0.657E-01 0.105E+00 RMM: 3 -0.361921321043E+03 0.67316E-02 -0.85460E-03 5344 0.212E-01 0.296E-01 RMM: 4 -0.361922059260E+03 -0.73822E-03 -0.19133E-03 4969 0.106E-01 0.460E-01 RMM: 5 -0.361920748128E+03 0.13111E-02 -0.78705E-04 4593 0.750E-02 0.165E-01 RMM: 6 -0.361920637518E+03 0.11061E-03 -0.18767E-04 3897 0.351E-02 0.109E-01 RMM: 7 -0.361920662866E+03 -0.25347E-04 -0.10648E-04 3801 0.287E-02 0.134E-01 RMM: 8 -0.361920548381E+03 0.11448E-03 -0.54552E-05 3353 0.220E-02 0.344E-02 RMM: 9 -0.361920553755E+03 -0.53735E-05 -0.19673E-05 2543 0.124E-02 1465 T= 6216. E= 0.68986982E+03 F= 0.63844654E+03 E0= 0.66902434E+03 EK= 0.51423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361108200002E+03 0.81235E+00 -0.16930E-01 7608 0.230E+01 0.312E-01 RMM: 2 -0.361117584183E+03 -0.93842E-02 -0.69300E-02 5036 0.635E-01 0.882E-01 RMM: 3 -0.361112494892E+03 0.50893E-02 -0.73625E-03 5388 0.188E-01 0.258E-01 RMM: 4 -0.361113133244E+03 -0.63835E-03 -0.16876E-03 4907 0.101E-01 0.415E-01 RMM: 5 -0.361112143123E+03 0.99012E-03 -0.66698E-04 4573 0.691E-02 0.169E-01 RMM: 6 -0.361111973954E+03 0.16917E-03 -0.15074E-04 3880 0.321E-02 0.637E-02 RMM: 7 -0.361112024980E+03 -0.51026E-04 -0.72591E-05 3506 0.233E-02 0.114E-01 RMM: 8 -0.361111941696E+03 0.83284E-04 -0.36205E-05 3092 0.193E-02 0.231E-02 RMM: 9 -0.361111942113E+03 -0.41671E-06 -0.75156E-06 2462 0.752E-03 1466 T= 6018. E= 0.68870583E+03 F= 0.63891710E+03 E0= 0.66945388E+03 EK= 0.49789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360438783861E+03 0.67316E+00 -0.16269E-01 7656 0.228E+01 0.344E-01 RMM: 2 -0.360447351339E+03 -0.85675E-02 -0.60285E-02 5187 0.594E-01 0.929E-01 RMM: 3 -0.360441989575E+03 0.53618E-02 -0.64325E-03 5355 0.180E-01 0.256E-01 RMM: 4 -0.360442805327E+03 -0.81575E-03 -0.17562E-03 4819 0.104E-01 0.450E-01 RMM: 5 -0.360441568761E+03 0.12366E-02 -0.76296E-04 4599 0.734E-02 0.165E-01 RMM: 6 -0.360441452923E+03 0.11584E-03 -0.19485E-04 3901 0.358E-02 0.106E-01 RMM: 7 -0.360441474562E+03 -0.21639E-04 -0.10780E-04 3845 0.295E-02 0.127E-01 RMM: 8 -0.360441370969E+03 0.10359E-03 -0.51415E-05 3301 0.216E-02 0.361E-02 RMM: 9 -0.360441370105E+03 0.86412E-06 -0.14328E-05 2502 0.106E-02 1467 T= 5974. E= 0.68866728E+03 F= 0.63924504E+03 E0= 0.66973927E+03 EK= 0.49422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359905330500E+03 0.53604E+00 -0.16627E-01 7728 0.229E+01 0.323E-01 RMM: 2 -0.359916899800E+03 -0.11569E-01 -0.62233E-02 5226 0.600E-01 0.111E+00 RMM: 3 -0.359908922173E+03 0.79776E-02 -0.67827E-03 5363 0.186E-01 0.263E-01 RMM: 4 -0.359909275469E+03 -0.35330E-03 -0.15664E-03 4698 0.958E-02 0.366E-01 RMM: 5 -0.359908566041E+03 0.70943E-03 -0.71089E-04 4596 0.726E-02 0.192E-01 RMM: 6 -0.359908366144E+03 0.19990E-03 -0.21191E-04 3885 0.378E-02 0.905E-02 RMM: 7 -0.359908425273E+03 -0.59129E-04 -0.11736E-04 3848 0.303E-02 0.138E-01 RMM: 8 -0.359908304305E+03 0.12097E-03 -0.54630E-05 3355 0.224E-02 0.331E-02 RMM: 9 -0.359908303547E+03 0.75757E-06 -0.11334E-05 2493 0.954E-03 1468 T= 6095. E= 0.68985732E+03 F= 0.63943497E+03 E0= 0.66988477E+03 EK= 0.50422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359489460130E+03 0.41884E+00 -0.17306E-01 7608 0.233E+01 0.312E-01 RMM: 2 -0.359500639464E+03 -0.11179E-01 -0.63768E-02 5303 0.600E-01 0.107E+00 RMM: 3 -0.359493279076E+03 0.73604E-02 -0.65099E-03 5373 0.181E-01 0.236E-01 RMM: 4 -0.359493561130E+03 -0.28205E-03 -0.14087E-03 4644 0.923E-02 0.335E-01 RMM: 5 -0.359492976431E+03 0.58470E-03 -0.68253E-04 4606 0.712E-02 0.193E-01 RMM: 6 -0.359492810502E+03 0.16593E-03 -0.24847E-04 3913 0.409E-02 0.114E-01 RMM: 7 -0.359492831523E+03 -0.21021E-04 -0.13533E-04 3881 0.342E-02 0.134E-01 RMM: 8 -0.359492716800E+03 0.11472E-03 -0.56814E-05 3381 0.225E-02 0.354E-02 RMM: 9 -0.359492714835E+03 0.19656E-05 -0.12794E-05 2494 0.103E-02 1469 T= 6347. E= 0.69201677E+03 F= 0.63951070E+03 E0= 0.66991514E+03 EK= 0.52506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359157017114E+03 0.33570E+00 -0.17881E-01 7656 0.239E+01 0.306E-01 RMM: 2 -0.359170494509E+03 -0.13477E-01 -0.69490E-02 5329 0.627E-01 0.118E+00 RMM: 3 -0.359161400484E+03 0.90940E-02 -0.71809E-03 5395 0.190E-01 0.250E-01 RMM: 4 -0.359161474024E+03 -0.73540E-04 -0.13088E-03 4626 0.866E-02 0.301E-01 RMM: 5 -0.359161007183E+03 0.46684E-03 -0.77542E-04 4612 0.781E-02 0.177E-01 RMM: 6 -0.359160901380E+03 0.10580E-03 -0.24550E-04 3890 0.402E-02 0.128E-01 RMM: 7 -0.359160900488E+03 0.89219E-06 -0.13602E-04 3886 0.346E-02 1470 T= 6650. E= 0.69452040E+03 F= 0.63950797E+03 E0= 0.66986565E+03 EK= 0.55012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358871005199E+03 0.28990E+00 -0.18549E-01 7620 0.243E+01 0.322E-01 RMM: 2 -0.358881277261E+03 -0.10272E-01 -0.72562E-02 5363 0.642E-01 0.955E-01 RMM: 3 -0.358875540373E+03 0.57369E-02 -0.67754E-03 5498 0.178E-01 0.250E-01 RMM: 4 -0.358875800293E+03 -0.25992E-03 -0.14185E-03 4627 0.942E-02 0.357E-01 RMM: 5 -0.358875074915E+03 0.72538E-03 -0.95182E-04 4609 0.852E-02 0.177E-01 RMM: 6 -0.358875096444E+03 -0.21529E-04 -0.34336E-04 3981 0.478E-02 0.189E-01 RMM: 7 -0.358874951041E+03 0.14540E-03 -0.19707E-04 3881 0.433E-02 0.127E-01 RMM: 8 -0.358874849418E+03 0.10162E-03 -0.69728E-05 3486 0.244E-02 0.417E-02 RMM: 9 -0.358874856964E+03 -0.75458E-05 -0.23344E-05 2658 0.140E-02 1471 T= 6892. E= 0.69647908E+03 F= 0.63946430E+03 E0= 0.66977307E+03 EK= 0.57015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358596351946E+03 0.27850E+00 -0.18398E-01 7752 0.246E+01 0.269E-01 RMM: 2 -0.358609933123E+03 -0.13581E-01 -0.73458E-02 5310 0.647E-01 0.114E+00 RMM: 3 -0.358601439216E+03 0.84939E-02 -0.72931E-03 5476 0.187E-01 0.205E-01 RMM: 4 -0.358601493458E+03 -0.54243E-04 -0.10434E-03 4625 0.760E-02 0.253E-01 RMM: 5 -0.358601137432E+03 0.35603E-03 -0.56373E-04 4598 0.670E-02 0.141E-01 RMM: 6 -0.358601091717E+03 0.45715E-04 -0.20078E-04 3888 0.364E-02 0.118E-01 RMM: 7 -0.358601092979E+03 -0.12623E-05 -0.97202E-05 3782 0.286E-02 1472 T= 6971. E= 0.69707788E+03 F= 0.63941029E+03 E0= 0.66966922E+03 EK= 0.57668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358315814675E+03 0.28528E+00 -0.18238E-01 7908 0.245E+01 0.349E-01 RMM: 2 -0.358324953558E+03 -0.91389E-02 -0.72587E-02 5293 0.646E-01 0.880E-01 RMM: 3 -0.358320016912E+03 0.49366E-02 -0.69364E-03 5481 0.181E-01 0.259E-01 RMM: 4 -0.358320823436E+03 -0.80652E-03 -0.18196E-03 4734 0.108E-01 0.461E-01 RMM: 5 -0.358319501612E+03 0.13218E-02 -0.10031E-03 4607 0.853E-02 0.160E-01 RMM: 6 -0.358319500225E+03 0.13870E-05 -0.28977E-04 3916 0.437E-02 0.167E-01 RMM: 7 -0.358319385921E+03 0.11430E-03 -0.16405E-04 3874 0.402E-02 0.115E-01 RMM: 8 -0.358319303339E+03 0.82581E-04 -0.48826E-05 3266 0.208E-02 0.381E-02 RMM: 9 -0.358319314401E+03 -0.11062E-04 -0.23400E-05 2586 0.140E-02 1473 T= 6850. E= 0.69603040E+03 F= 0.63936190E+03 E0= 0.66957019E+03 EK= 0.56669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358016972444E+03 0.30233E+00 -0.18159E-01 7908 0.242E+01 0.277E-01 RMM: 2 -0.358028664834E+03 -0.11692E-01 -0.80345E-02 4970 0.673E-01 0.943E-01 RMM: 3 -0.358022687625E+03 0.59772E-02 -0.85696E-03 5500 0.196E-01 0.207E-01 RMM: 4 -0.358023162953E+03 -0.47533E-03 -0.13396E-03 4781 0.895E-02 0.358E-01 RMM: 5 -0.358022432742E+03 0.73021E-03 -0.58309E-04 4592 0.655E-02 0.152E-01 RMM: 6 -0.358022315050E+03 0.11769E-03 -0.17838E-04 3873 0.342E-02 0.797E-02 RMM: 7 -0.358022347773E+03 -0.32723E-04 -0.76723E-05 3615 0.256E-02 0.112E-01 RMM: 8 -0.358022265868E+03 0.81905E-04 -0.33782E-05 3038 0.184E-02 0.238E-02 RMM: 9 -0.358022265863E+03 0.53406E-08 -0.76355E-06 2464 0.787E-03 1474 T= 6581. E= 0.69376849E+03 F= 0.63932211E+03 E0= 0.66948017E+03 EK= 0.54446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357701189596E+03 0.32108E+00 -0.17194E-01 7992 0.237E+01 0.341E-01 RMM: 2 -0.357708956723E+03 -0.77671E-02 -0.70313E-02 5075 0.619E-01 0.740E-01 RMM: 3 -0.357705344560E+03 0.36122E-02 -0.67984E-03 5437 0.176E-01 0.259E-01 RMM: 4 -0.357706325281E+03 -0.98072E-03 -0.19100E-03 4931 0.111E-01 0.489E-01 RMM: 5 -0.357704861766E+03 0.14635E-02 -0.83611E-04 4604 0.768E-02 0.139E-01 RMM: 6 -0.357704803959E+03 0.57807E-04 -0.19561E-04 3892 0.356E-02 0.112E-01 RMM: 7 -0.357704778933E+03 0.25026E-04 -0.95282E-05 3821 0.294E-02 0.104E-01 RMM: 8 -0.357704709777E+03 0.69155E-04 -0.36488E-05 3118 0.183E-02 0.312E-02 RMM: 9 -0.357704713031E+03 -0.32533E-05 -0.12654E-05 2493 0.101E-02 1475 T= 6271. E= 0.69117398E+03 F= 0.63929337E+03 E0= 0.66940349E+03 EK= 0.51881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357351262587E+03 0.35345E+00 -0.16171E-01 7860 0.233E+01 0.330E-01 RMM: 2 -0.357360737715E+03 -0.94751E-02 -0.68162E-02 5006 0.618E-01 0.906E-01 RMM: 3 -0.357355358568E+03 0.53791E-02 -0.75092E-03 5420 0.189E-01 0.243E-01 RMM: 4 -0.357356314512E+03 -0.95594E-03 -0.17598E-03 4895 0.103E-01 0.463E-01 RMM: 5 -0.357354981436E+03 0.13331E-02 -0.79437E-04 4600 0.765E-02 0.146E-01 RMM: 6 -0.357354871614E+03 0.10982E-03 -0.16463E-04 3871 0.325E-02 0.807E-02 RMM: 7 -0.357354895528E+03 -0.23914E-04 -0.78826E-05 3634 0.259E-02 0.110E-01 RMM: 8 -0.357354818443E+03 0.77085E-04 -0.35548E-05 3092 0.186E-02 0.291E-02 RMM: 9 -0.357354820006E+03 -0.15638E-05 -0.11010E-05 2479 0.951E-03 1476 T= 6024. E= 0.68912416E+03 F= 0.63928726E+03 E0= 0.66935180E+03 EK= 0.49837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356946548324E+03 0.40827E+00 -0.15308E-01 7692 0.231E+01 0.338E-01 RMM: 2 -0.356954828359E+03 -0.82800E-02 -0.61375E-02 5092 0.587E-01 0.857E-01 RMM: 3 -0.356949916832E+03 0.49115E-02 -0.65102E-03 5394 0.177E-01 0.241E-01 RMM: 4 -0.356950851065E+03 -0.93423E-03 -0.19204E-03 4905 0.109E-01 0.463E-01 RMM: 5 -0.356949591033E+03 0.12600E-02 -0.82769E-04 4604 0.773E-02 0.179E-01 RMM: 6 -0.356949415702E+03 0.17533E-03 -0.19458E-04 3885 0.359E-02 0.838E-02 RMM: 7 -0.356949434765E+03 -0.19063E-04 -0.98139E-05 3815 0.295E-02 1477 T= 5909. E= 0.68820996E+03 F= 0.63932942E+03 E0= 0.66935238E+03 EK= 0.48881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356452365033E+03 0.49705E+00 -0.14773E-01 7524 0.231E+01 0.362E-01 RMM: 2 -0.356459895383E+03 -0.75303E-02 -0.60777E-02 5162 0.585E-01 0.834E-01 RMM: 3 -0.356455585064E+03 0.43103E-02 -0.66889E-03 5389 0.179E-01 0.287E-01 RMM: 4 -0.356456543969E+03 -0.95891E-03 -0.19011E-03 4828 0.108E-01 0.499E-01 RMM: 5 -0.356454995105E+03 0.15489E-02 -0.10852E-03 4604 0.894E-02 0.146E-01 RMM: 6 -0.356454946020E+03 0.49085E-04 -0.20988E-04 3882 0.373E-02 0.126E-01 RMM: 7 -0.356454915414E+03 0.30606E-04 -0.13141E-04 3859 0.342E-02 0.118E-01 RMM: 8 -0.356454826902E+03 0.88512E-04 -0.57951E-05 3355 0.227E-02 0.384E-02 RMM: 9 -0.356454832720E+03 -0.58188E-05 -0.18076E-05 2547 0.123E-02 1478 T= 5950. E= 0.68867743E+03 F= 0.63945802E+03 E0= 0.66944319E+03 EK= 0.49219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355829767703E+03 0.62506E+00 -0.15349E-01 7716 0.234E+01 0.285E-01 RMM: 2 -0.355839521086E+03 -0.97534E-02 -0.70501E-02 5023 0.620E-01 0.860E-01 RMM: 3 -0.355834488010E+03 0.50331E-02 -0.75645E-03 5444 0.182E-01 0.188E-01 RMM: 4 -0.355835128497E+03 -0.64049E-03 -0.13386E-03 4737 0.901E-02 0.388E-01 RMM: 5 -0.355834217102E+03 0.91139E-03 -0.62407E-04 4601 0.681E-02 0.129E-01 RMM: 6 -0.355834165847E+03 0.51255E-04 -0.16870E-04 3879 0.332E-02 0.997E-02 RMM: 7 -0.355834157909E+03 0.79380E-05 -0.80713E-05 3705 0.272E-02 1479 T= 6132. E= 0.69044693E+03 F= 0.63971488E+03 E0= 0.66966721E+03 EK= 0.50732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355052372097E+03 0.78179E+00 -0.15737E-01 7476 0.239E+01 0.343E-01 RMM: 2 -0.355059118620E+03 -0.67465E-02 -0.67006E-02 5252 0.610E-01 0.688E-01 RMM: 3 -0.355056234959E+03 0.28837E-02 -0.63740E-03 5449 0.169E-01 0.272E-01 RMM: 4 -0.355057102630E+03 -0.86767E-03 -0.16362E-03 4713 0.103E-01 0.481E-01 RMM: 5 -0.355055620002E+03 0.14826E-02 -0.99724E-04 4608 0.855E-02 0.135E-01 RMM: 6 -0.355055672039E+03 -0.52036E-04 -0.27642E-04 3886 0.429E-02 0.170E-01 RMM: 7 -0.355055533686E+03 0.13835E-03 -0.15639E-04 3868 0.388E-02 0.105E-01 RMM: 8 -0.355055466931E+03 0.66755E-04 -0.45393E-05 3206 0.200E-02 0.409E-02 RMM: 9 -0.355055475185E+03 -0.82534E-05 -0.26643E-05 2667 0.151E-02 1480 T= 6404. E= 0.69311448E+03 F= 0.64013583E+03 E0= 0.67006044E+03 EK= 0.52979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354101697499E+03 0.95377E+00 -0.16235E-01 7644 0.243E+01 0.280E-01 RMM: 2 -0.354111670048E+03 -0.99725E-02 -0.75114E-02 5176 0.657E-01 0.867E-01 RMM: 3 -0.354106747644E+03 0.49224E-02 -0.75828E-03 5497 0.183E-01 0.191E-01 RMM: 4 -0.354107014727E+03 -0.26708E-03 -0.11799E-03 4666 0.844E-02 0.310E-01 RMM: 5 -0.354106503148E+03 0.51158E-03 -0.56533E-04 4602 0.652E-02 0.164E-01 RMM: 6 -0.354106381054E+03 0.12209E-03 -0.22657E-04 3885 0.391E-02 0.955E-02 RMM: 7 -0.354106396388E+03 -0.15334E-04 -0.83799E-05 3686 0.281E-02 1481 T= 6678. E= 0.69597653E+03 F= 0.64073485E+03 E0= 0.67063844E+03 EK= 0.55242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353010405541E+03 0.10960E+01 -0.16609E-01 7620 0.246E+01 0.353E-01 RMM: 2 -0.353017938332E+03 -0.75328E-02 -0.73897E-02 5315 0.642E-01 0.725E-01 RMM: 3 -0.353014725940E+03 0.32124E-02 -0.65849E-03 5435 0.173E-01 0.264E-01 RMM: 4 -0.353015717659E+03 -0.99172E-03 -0.16301E-03 4707 0.104E-01 0.499E-01 RMM: 5 -0.353014111481E+03 0.16062E-02 -0.90545E-04 4612 0.799E-02 0.132E-01 RMM: 6 -0.353014193409E+03 -0.81928E-04 -0.34226E-04 3962 0.477E-02 0.182E-01 RMM: 7 -0.353014045938E+03 0.14747E-03 -0.16104E-04 3876 0.389E-02 0.113E-01 RMM: 8 -0.353013966220E+03 0.79718E-04 -0.43525E-05 3180 0.194E-02 0.390E-02 RMM: 9 -0.353013976874E+03 -0.10654E-04 -0.24645E-05 2623 0.140E-02 1482 T= 6855. E= 0.69819685E+03 F= 0.64148388E+03 E0= 0.67137402E+03 EK= 0.56713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351850184770E+03 0.11638E+01 -0.17164E-01 7500 0.246E+01 0.293E-01 RMM: 2 -0.351860965023E+03 -0.10780E-01 -0.82556E-02 5118 0.686E-01 0.896E-01 RMM: 3 -0.351855879146E+03 0.50859E-02 -0.83256E-03 5512 0.189E-01 0.202E-01 RMM: 4 -0.351856459693E+03 -0.58055E-03 -0.12876E-03 4737 0.885E-02 0.380E-01 RMM: 5 -0.351855597774E+03 0.86192E-03 -0.53526E-04 4590 0.619E-02 0.147E-01 RMM: 6 -0.351855497384E+03 0.10039E-03 -0.20256E-04 3884 0.370E-02 0.871E-02 RMM: 7 -0.351855525804E+03 -0.28420E-04 -0.72696E-05 3554 0.253E-02 0.114E-01 RMM: 8 -0.351855441364E+03 0.84440E-04 -0.30615E-05 2985 0.173E-02 0.263E-02 RMM: 9 -0.351855439472E+03 0.18920E-05 -0.81107E-06 2458 0.789E-03 1483 T= 6872. E= 0.69915643E+03 F= 0.64230268E+03 E0= 0.67218654E+03 EK= 0.56854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350745608864E+03 0.11098E+01 -0.16925E-01 7560 0.243E+01 0.364E-01 RMM: 2 -0.350755619209E+03 -0.10010E-01 -0.75036E-02 5268 0.660E-01 0.946E-01 RMM: 3 -0.350749889286E+03 0.57299E-02 -0.72887E-03 5405 0.187E-01 0.274E-01 RMM: 4 -0.350750831935E+03 -0.94265E-03 -0.19805E-03 4942 0.111E-01 0.481E-01 RMM: 5 -0.350749476667E+03 0.13553E-02 -0.77808E-04 4593 0.733E-02 0.203E-01 RMM: 6 -0.350749250768E+03 0.22590E-03 -0.25783E-04 3896 0.417E-02 0.952E-02 RMM: 7 -0.350749320818E+03 -0.70050E-04 -0.13249E-04 3876 0.321E-02 0.147E-01 RMM: 8 -0.350749178196E+03 0.14262E-03 -0.64806E-05 3469 0.237E-02 0.349E-02 RMM: 9 -0.350749179059E+03 -0.86243E-06 -0.15954E-05 2531 0.112E-02 1484 T= 6733. E= 0.69877244E+03 F= 0.64306897E+03 E0= 0.67295468E+03 EK= 0.55703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349824152068E+03 0.92503E+00 -0.16567E-01 7668 0.238E+01 0.373E-01 RMM: 2 -0.349839159300E+03 -0.15007E-01 -0.83306E-02 5134 0.701E-01 0.125E+00 RMM: 3 -0.349829041192E+03 0.10118E-01 -0.93902E-03 5373 0.217E-01 0.241E-01 RMM: 4 -0.349830025901E+03 -0.98471E-03 -0.21202E-03 5049 0.111E-01 0.472E-01 RMM: 5 -0.349828687854E+03 0.13380E-02 -0.78121E-04 4606 0.745E-02 0.171E-01 RMM: 6 -0.349828535045E+03 0.15281E-03 -0.19892E-04 3884 0.363E-02 0.873E-02 RMM: 7 -0.349828584900E+03 -0.49855E-04 -0.94235E-05 3766 0.271E-02 0.128E-01 RMM: 8 -0.349828476493E+03 0.10841E-03 -0.45697E-05 3236 0.205E-02 0.340E-02 RMM: 9 -0.349828474996E+03 0.14974E-05 -0.12875E-05 2497 0.100E-02 1485 T= 6510. E= 0.69750062E+03 F= 0.64364611E+03 E0= 0.67354146E+03 EK= 0.53855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349198352085E+03 0.63012E+00 -0.15466E-01 7776 0.233E+01 0.373E-01 RMM: 2 -0.349211137916E+03 -0.12786E-01 -0.71942E-02 5218 0.647E-01 0.116E+00 RMM: 3 -0.349202355751E+03 0.87822E-02 -0.80326E-03 5364 0.204E-01 0.288E-01 RMM: 4 -0.349203240995E+03 -0.88524E-03 -0.21408E-03 5014 0.113E-01 0.475E-01 RMM: 5 -0.349202014214E+03 0.12268E-02 -0.76195E-04 4590 0.730E-02 0.228E-01 RMM: 6 -0.349201689019E+03 0.32520E-03 -0.24931E-04 3886 0.415E-02 0.719E-02 RMM: 7 -0.349201759450E+03 -0.70431E-04 -0.11410E-04 3866 0.292E-02 0.133E-01 RMM: 8 -0.349201643382E+03 0.11607E-03 -0.52976E-05 3324 0.218E-02 0.312E-02 RMM: 9 -0.349201644614E+03 -0.12322E-05 -0.13920E-05 2503 0.105E-02 1486 T= 6299. E= 0.69603070E+03 F= 0.64392397E+03 E0= 0.67383591E+03 EK= 0.52107E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348922603538E+03 0.27904E+00 -0.14770E-01 7584 0.229E+01 0.359E-01 RMM: 2 -0.348934203369E+03 -0.11600E-01 -0.71208E-02 5223 0.637E-01 0.109E+00 RMM: 3 -0.348926550470E+03 0.76529E-02 -0.75303E-03 5368 0.194E-01 0.247E-01 RMM: 4 -0.348927500533E+03 -0.95006E-03 -0.20090E-03 4860 0.109E-01 0.469E-01 RMM: 5 -0.348926144119E+03 0.13564E-02 -0.80711E-04 4608 0.762E-02 0.158E-01 RMM: 6 -0.348926032367E+03 0.11175E-03 -0.17777E-04 3880 0.342E-02 0.986E-02 RMM: 7 -0.348926058349E+03 -0.25983E-04 -0.90074E-05 3723 0.271E-02 0.124E-01 RMM: 8 -0.348925959133E+03 0.99216E-04 -0.41935E-05 3187 0.198E-02 0.305E-02 RMM: 9 -0.348925960609E+03 -0.14756E-05 -0.12305E-05 2489 0.967E-03 1487 T= 6177. E= 0.69494692E+03 F= 0.64384542E+03 E0= 0.67378067E+03 EK= 0.51101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348999123567E+03 -0.73164E-01 -0.14681E-01 7968 0.228E+01 0.341E-01 RMM: 2 -0.349009742611E+03 -0.10619E-01 -0.69541E-02 5243 0.620E-01 0.991E-01 RMM: 3 -0.349003222047E+03 0.65206E-02 -0.70984E-03 5389 0.185E-01 0.261E-01 RMM: 4 -0.349003879637E+03 -0.65759E-03 -0.18115E-03 4824 0.104E-01 0.428E-01 RMM: 5 -0.349002879785E+03 0.99985E-03 -0.77904E-04 4590 0.752E-02 0.207E-01 RMM: 6 -0.349002633677E+03 0.24611E-03 -0.23166E-04 3885 0.396E-02 0.839E-02 RMM: 7 -0.349002691728E+03 -0.58051E-04 -0.11662E-04 3874 0.307E-02 0.134E-01 RMM: 8 -0.349002578753E+03 0.11297E-03 -0.51433E-05 3324 0.214E-02 0.358E-02 RMM: 9 -0.349002577257E+03 0.14968E-05 -0.12104E-05 2499 0.983E-03 1488 T= 6182. E= 0.69455127E+03 F= 0.64341105E+03 E0= 0.67337501E+03 EK= 0.51140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349378226490E+03 -0.37565E+00 -0.15081E-01 8196 0.230E+01 0.327E-01 RMM: 2 -0.349389352934E+03 -0.11126E-01 -0.76741E-02 5220 0.646E-01 0.979E-01 RMM: 3 -0.349383063549E+03 0.62894E-02 -0.73601E-03 5422 0.186E-01 0.233E-01 RMM: 4 -0.349383710432E+03 -0.64688E-03 -0.17136E-03 4777 0.101E-01 0.417E-01 RMM: 5 -0.349382680397E+03 0.10300E-02 -0.84973E-04 4608 0.798E-02 0.160E-01 RMM: 6 -0.349382606425E+03 0.73972E-04 -0.24834E-04 3893 0.406E-02 0.128E-01 RMM: 7 -0.349382589364E+03 0.17060E-04 -0.12470E-04 3866 0.337E-02 1489 T= 6304. E= 0.69482555E+03 F= 0.64267211E+03 E0= 0.67266953E+03 EK= 0.52153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349972274671E+03 -0.58967E+00 -0.15812E-01 8184 0.234E+01 0.367E-01 RMM: 2 -0.349988694352E+03 -0.16420E-01 -0.87877E-02 5236 0.696E-01 0.128E+00 RMM: 3 -0.349977925689E+03 0.10769E-01 -0.95856E-03 5411 0.218E-01 0.304E-01 RMM: 4 -0.349978102023E+03 -0.17633E-03 -0.19837E-03 4834 0.107E-01 0.375E-01 RMM: 5 -0.349977490421E+03 0.61160E-03 -0.11572E-03 4600 0.933E-02 0.255E-01 RMM: 6 -0.349977168493E+03 0.32193E-03 -0.39484E-04 4106 0.517E-02 0.134E-01 RMM: 7 -0.349977232225E+03 -0.63732E-04 -0.25150E-04 3893 0.456E-02 0.172E-01 RMM: 8 -0.349977047624E+03 0.18460E-03 -0.10496E-04 3779 0.305E-02 0.567E-02 RMM: 9 -0.349977037600E+03 0.10024E-04 -0.23431E-05 2675 0.141E-02 1490 T= 6495. E= 0.69545208E+03 F= 0.64171934E+03 E0= 0.67175451E+03 EK= 0.53733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350667944033E+03 -0.69090E+00 -0.16777E-01 8328 0.238E+01 0.275E-01 RMM: 2 -0.350681313492E+03 -0.13369E-01 -0.87754E-02 5275 0.675E-01 0.101E+00 RMM: 3 -0.350674173885E+03 0.71396E-02 -0.75903E-03 5481 0.183E-01 0.177E-01 RMM: 4 -0.350674571499E+03 -0.39761E-03 -0.13084E-03 4705 0.898E-02 0.339E-01 RMM: 5 -0.350673896602E+03 0.67490E-03 -0.60408E-04 4594 0.674E-02 0.139E-01 RMM: 6 -0.350673896961E+03 -0.35938E-06 -0.24436E-04 3890 0.400E-02 0.143E-01 RMM: 7 -0.350673837047E+03 0.59914E-04 -0.11574E-04 3794 0.328E-02 0.112E-01 RMM: 8 -0.350673757038E+03 0.80008E-04 -0.36477E-05 3097 0.183E-02 0.317E-02 RMM: 9 -0.350673754663E+03 0.23756E-05 -0.92106E-06 2466 0.857E-03 1491 T= 6676. E= 0.69589710E+03 F= 0.64066515E+03 E0= 0.67073944E+03 EK= 0.55232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351350231856E+03 -0.67647E+00 -0.17302E-01 8220 0.241E+01 0.347E-01 RMM: 2 -0.351367140866E+03 -0.16909E-01 -0.96494E-02 5262 0.731E-01 0.125E+00 RMM: 3 -0.351356703486E+03 0.10437E-01 -0.10126E-02 5415 0.225E-01 0.287E-01 RMM: 4 -0.351356692726E+03 0.10760E-04 -0.16740E-03 4757 0.972E-02 0.318E-01 RMM: 5 -0.351356299521E+03 0.39321E-03 -0.10483E-03 4603 0.903E-02 0.244E-01 RMM: 6 -0.351356005086E+03 0.29443E-03 -0.37729E-04 4069 0.505E-02 0.130E-01 RMM: 7 -0.351356055181E+03 -0.50095E-04 -0.22493E-04 3892 0.435E-02 0.166E-01 RMM: 8 -0.351355887122E+03 0.16806E-03 -0.95487E-05 3694 0.290E-02 0.517E-02 RMM: 9 -0.351355876857E+03 0.10265E-04 -0.19450E-05 2572 0.130E-02 1492 T= 6768. E= 0.69561155E+03 F= 0.63962490E+03 E0= 0.66973635E+03 EK= 0.55987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351919530588E+03 -0.56364E+00 -0.17692E-01 8040 0.242E+01 0.340E-01 RMM: 2 -0.351936717625E+03 -0.17187E-01 -0.94561E-02 5265 0.709E-01 0.128E+00 RMM: 3 -0.351925749570E+03 0.10968E-01 -0.89943E-03 5443 0.208E-01 0.232E-01 RMM: 4 -0.351926305349E+03 -0.55578E-03 -0.18230E-03 4843 0.105E-01 0.401E-01 RMM: 5 -0.351925382252E+03 0.92310E-03 -0.87808E-04 4608 0.811E-02 0.181E-01 RMM: 6 -0.351925296756E+03 0.85496E-04 -0.30218E-04 3903 0.444E-02 0.146E-01 RMM: 7 -0.351925248910E+03 0.47846E-04 -0.16729E-04 3876 0.396E-02 0.127E-01 RMM: 8 -0.351925148945E+03 0.99965E-04 -0.52116E-05 3296 0.217E-02 0.428E-02 RMM: 9 -0.351925145793E+03 0.31515E-05 -0.15457E-05 2516 0.113E-02 1493 T= 6723. E= 0.69431156E+03 F= 0.63869395E+03 E0= 0.66883879E+03 EK= 0.55618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352314715996E+03 -0.38957E+00 -0.17303E-01 8088 0.240E+01 0.341E-01 RMM: 2 -0.352330302401E+03 -0.15586E-01 -0.89323E-02 5265 0.688E-01 0.120E+00 RMM: 3 -0.352320541946E+03 0.97605E-02 -0.87104E-03 5435 0.207E-01 0.276E-01 RMM: 4 -0.352320928140E+03 -0.38619E-03 -0.18767E-03 4876 0.106E-01 0.387E-01 RMM: 5 -0.352320136968E+03 0.79117E-03 -0.93923E-04 4600 0.836E-02 0.210E-01 RMM: 6 -0.352319915263E+03 0.22171E-03 -0.29431E-04 3907 0.446E-02 0.108E-01 RMM: 7 -0.352319960879E+03 -0.45616E-04 -0.15068E-04 3880 0.357E-02 0.142E-01 RMM: 8 -0.352319830624E+03 0.13025E-03 -0.64407E-05 3452 0.241E-02 0.408E-02 RMM: 9 -0.352319825240E+03 0.53841E-05 -0.13550E-05 2511 0.108E-02 1494 T= 6556. E= 0.69216550E+03 F= 0.63793086E+03 E0= 0.66810145E+03 EK= 0.54235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352517683945E+03 -0.19785E+00 -0.16788E-01 7992 0.237E+01 0.387E-01 RMM: 2 -0.352534191685E+03 -0.16508E-01 -0.87373E-02 5252 0.685E-01 0.131E+00 RMM: 3 -0.352522641953E+03 0.11550E-01 -0.91145E-03 5391 0.215E-01 0.259E-01 RMM: 4 -0.352523623270E+03 -0.98132E-03 -0.22723E-03 5067 0.116E-01 0.481E-01 RMM: 5 -0.352522272949E+03 0.13503E-02 -0.90527E-04 4605 0.811E-02 0.206E-01 RMM: 6 -0.352522047753E+03 0.22520E-03 -0.29016E-04 3898 0.440E-02 0.108E-01 RMM: 7 -0.352522103798E+03 -0.56045E-04 -0.15886E-04 3872 0.361E-02 0.149E-01 RMM: 8 -0.352521964142E+03 0.13966E-03 -0.69257E-05 3479 0.248E-02 0.447E-02 RMM: 9 -0.352521956626E+03 0.75165E-05 -0.14830E-05 2518 0.112E-02 1495 T= 6330. E= 0.68971813E+03 F= 0.63735125E+03 E0= 0.66753955E+03 EK= 0.52367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352546640795E+03 -0.24677E-01 -0.16402E-01 7812 0.234E+01 0.375E-01 RMM: 2 -0.352559920704E+03 -0.13280E-01 -0.82531E-02 5244 0.657E-01 0.113E+00 RMM: 3 -0.352551430645E+03 0.84901E-02 -0.85699E-03 5399 0.206E-01 0.300E-01 RMM: 4 -0.352552400266E+03 -0.96962E-03 -0.22946E-03 5114 0.118E-01 0.501E-01 RMM: 5 -0.352550966952E+03 0.14333E-02 -0.10135E-03 4600 0.854E-02 0.215E-01 RMM: 6 -0.352550708701E+03 0.25825E-03 -0.27137E-04 3908 0.427E-02 0.922E-02 RMM: 7 -0.352550772960E+03 -0.64259E-04 -0.14026E-04 3880 0.331E-02 0.140E-01 RMM: 8 -0.352550644479E+03 0.12848E-03 -0.65003E-05 3472 0.242E-02 0.405E-02 RMM: 9 -0.352550638838E+03 0.56408E-05 -0.14568E-05 2518 0.110E-02 1496 T= 6127. E= 0.68762215E+03 F= 0.63693558E+03 E0= 0.66713200E+03 EK= 0.50687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352441905100E+03 0.10874E+00 -0.16344E-01 7632 0.232E+01 0.410E-01 RMM: 2 -0.352460409579E+03 -0.18504E-01 -0.84880E-02 5139 0.693E-01 0.146E+00 RMM: 3 -0.352446419640E+03 0.13990E-01 -0.10538E-02 5400 0.236E-01 0.279E-01 RMM: 4 -0.352447376176E+03 -0.95654E-03 -0.25799E-03 5237 0.122E-01 0.487E-01 RMM: 5 -0.352446046346E+03 0.13298E-02 -0.91752E-04 4608 0.810E-02 0.227E-01 RMM: 6 -0.352445752107E+03 0.29424E-03 -0.27985E-04 3903 0.433E-02 0.968E-02 RMM: 7 -0.352445806957E+03 -0.54849E-04 -0.14935E-04 3879 0.343E-02 0.138E-01 RMM: 8 -0.352445687107E+03 0.11985E-03 -0.63343E-05 3429 0.238E-02 0.462E-02 RMM: 9 -0.352445676972E+03 0.10135E-04 -0.13104E-05 2503 0.105E-02 1497 T= 6013. E= 0.68639056E+03 F= 0.63664586E+03 E0= 0.66684138E+03 EK= 0.49745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352250561594E+03 0.19513E+00 -0.16003E-01 7692 0.231E+01 0.399E-01 RMM: 2 -0.352264615260E+03 -0.14054E-01 -0.73961E-02 5225 0.640E-01 0.126E+00 RMM: 3 -0.352254378848E+03 0.10236E-01 -0.87697E-03 5377 0.215E-01 0.320E-01 RMM: 4 -0.352255264412E+03 -0.88556E-03 -0.24338E-03 5126 0.120E-01 0.500E-01 RMM: 5 -0.352253911537E+03 0.13529E-02 -0.10565E-03 4609 0.871E-02 0.238E-01 RMM: 6 -0.352253573155E+03 0.33838E-03 -0.31596E-04 3935 0.465E-02 0.879E-02 RMM: 7 -0.352253656971E+03 -0.83816E-04 -0.14402E-04 3885 0.328E-02 0.148E-01 RMM: 8 -0.352253518005E+03 0.13897E-03 -0.69057E-05 3531 0.248E-02 0.490E-02 RMM: 9 -0.352253506058E+03 0.11947E-04 -0.15839E-05 2525 0.117E-02 1498 T= 6025. E= 0.68627875E+03 F= 0.63643933E+03 E0= 0.66662513E+03 EK= 0.49839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352013547283E+03 0.23997E+00 -0.16493E-01 7824 0.233E+01 0.406E-01 RMM: 2 -0.352033448041E+03 -0.19901E-01 -0.75820E-02 5158 0.663E-01 0.158E+00 RMM: 3 -0.352017345962E+03 0.16102E-01 -0.10035E-02 5367 0.236E-01 0.276E-01 RMM: 4 -0.352018148720E+03 -0.80276E-03 -0.24957E-03 5184 0.120E-01 0.462E-01 RMM: 5 -0.352017062066E+03 0.10867E-02 -0.91639E-04 4612 0.820E-02 0.248E-01 RMM: 6 -0.352016691162E+03 0.37090E-03 -0.31165E-04 3911 0.458E-02 0.910E-02 RMM: 7 -0.352016733108E+03 -0.41946E-04 -0.14732E-04 3876 0.351E-02 0.129E-01 RMM: 8 -0.352016630643E+03 0.10246E-03 -0.54523E-05 3345 0.223E-02 0.440E-02 RMM: 9 -0.352016622760E+03 0.78838E-05 -0.13206E-05 2496 0.106E-02 1499 T= 6162. E= 0.68725797E+03 F= 0.63627785E+03 E0= 0.66644639E+03 EK= 0.50980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351766287354E+03 0.25034E+00 -0.17274E-01 7992 0.236E+01 0.387E-01 RMM: 2 -0.351784084743E+03 -0.17797E-01 -0.71559E-02 5212 0.645E-01 0.148E+00 RMM: 3 -0.351770155047E+03 0.13930E-01 -0.94972E-03 5369 0.230E-01 0.331E-01 RMM: 4 -0.351770378355E+03 -0.22331E-03 -0.21565E-03 4985 0.111E-01 0.391E-01 RMM: 5 -0.351769743239E+03 0.63512E-03 -0.10081E-03 4609 0.860E-02 0.270E-01 RMM: 6 -0.351769301924E+03 0.44131E-03 -0.35824E-04 3955 0.497E-02 0.866E-02 RMM: 7 -0.351769388479E+03 -0.86554E-04 -0.15113E-04 3883 0.342E-02 0.148E-01 RMM: 8 -0.351769247178E+03 0.14130E-03 -0.70120E-05 3573 0.253E-02 0.466E-02 RMM: 9 -0.351769236560E+03 0.10619E-04 -0.14689E-05 2522 0.114E-02 1500 T= 6392. E= 0.68900654E+03 F= 0.63613081E+03 E0= 0.66627498E+03 EK= 0.52876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351532035089E+03 0.23721E+00 -0.17772E-01 7848 0.241E+01 0.373E-01 RMM: 2 -0.351548863158E+03 -0.16828E-01 -0.74240E-02 5168 0.662E-01 0.140E+00 RMM: 3 -0.351536132068E+03 0.12731E-01 -0.88487E-03 5371 0.218E-01 0.255E-01 RMM: 4 -0.351536723987E+03 -0.59192E-03 -0.21861E-03 5110 0.114E-01 0.418E-01 RMM: 5 -0.351535842656E+03 0.88133E-03 -0.94182E-04 4608 0.840E-02 0.231E-01 RMM: 6 -0.351535553863E+03 0.28879E-03 -0.31997E-04 3963 0.464E-02 0.112E-01 RMM: 7 -0.351535562090E+03 -0.82263E-05 -0.16724E-04 3875 0.386E-02 1501 T= 6642. E= 0.69092665E+03 F= 0.63597563E+03 E0= 0.66608938E+03 EK= 0.54951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351324793854E+03 0.21076E+00 -0.18554E-01 8064 0.245E+01 0.395E-01 RMM: 2 -0.351342280487E+03 -0.17487E-01 -0.73402E-02 5231 0.659E-01 0.145E+00 RMM: 3 -0.351328752325E+03 0.13528E-01 -0.88278E-03 5362 0.219E-01 0.307E-01 RMM: 4 -0.351329194762E+03 -0.44244E-03 -0.24273E-03 5207 0.121E-01 0.430E-01 RMM: 5 -0.351328371315E+03 0.82345E-03 -0.13047E-03 4610 0.987E-02 0.273E-01 RMM: 6 -0.351327951571E+03 0.41974E-03 -0.38527E-04 4013 0.516E-02 0.113E-01 RMM: 7 -0.351327981519E+03 -0.29948E-04 -0.22197E-04 3898 0.440E-02 0.144E-01 RMM: 8 -0.351327853335E+03 0.12818E-03 -0.81405E-05 3563 0.272E-02 0.538E-02 RMM: 9 -0.351327846430E+03 0.69058E-05 -0.20375E-05 2559 0.132E-02 1502 T= 6826. E= 0.69227184E+03 F= 0.63579918E+03 E0= 0.66587831E+03 EK= 0.56473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351149460509E+03 0.17839E+00 -0.19384E-01 7740 0.246E+01 0.329E-01 RMM: 2 -0.351166269454E+03 -0.16809E-01 -0.81549E-02 5017 0.687E-01 0.131E+00 RMM: 3 -0.351154749943E+03 0.11520E-01 -0.97070E-03 5364 0.225E-01 0.224E-01 RMM: 4 -0.351155303433E+03 -0.55349E-03 -0.17030E-03 4956 0.986E-02 0.384E-01 RMM: 5 -0.351154518820E+03 0.78461E-03 -0.72923E-04 4608 0.736E-02 0.193E-01 RMM: 6 -0.351154313073E+03 0.20575E-03 -0.28616E-04 3914 0.440E-02 0.942E-02 RMM: 7 -0.351154364988E+03 -0.51915E-04 -0.12021E-04 3785 0.313E-02 0.134E-01 RMM: 8 -0.351154250944E+03 0.11404E-03 -0.53542E-05 3352 0.222E-02 0.352E-02 RMM: 9 -0.351154245070E+03 0.58740E-05 -0.87265E-06 2477 0.864E-03 1503 T= 6871. E= 0.69243334E+03 F= 0.63559015E+03 E0= 0.66563217E+03 EK= 0.56843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351020210385E+03 0.13404E+00 -0.18658E-01 7632 0.245E+01 0.401E-01 RMM: 2 -0.351035521767E+03 -0.15311E-01 -0.77112E-02 5159 0.673E-01 0.132E+00 RMM: 3 -0.351024437462E+03 0.11084E-01 -0.94093E-03 5367 0.224E-01 0.329E-01 RMM: 4 -0.351024916578E+03 -0.47912E-03 -0.24578E-03 5213 0.121E-01 0.447E-01 RMM: 5 -0.351023938803E+03 0.97778E-03 -0.12108E-03 4608 0.955E-02 0.260E-01 RMM: 6 -0.351023543039E+03 0.39576E-03 -0.34175E-04 3949 0.488E-02 0.102E-01 RMM: 7 -0.351023607495E+03 -0.64456E-04 -0.19695E-04 3897 0.400E-02 0.151E-01 RMM: 8 -0.351023459362E+03 0.14813E-03 -0.88770E-05 3641 0.280E-02 0.441E-02 RMM: 9 -0.351023455874E+03 0.34878E-05 -0.17696E-05 2552 0.123E-02 1504 T= 6760. E= 0.69125834E+03 F= 0.63533557E+03 E0= 0.66533990E+03 EK= 0.55923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350942935579E+03 0.80524E-01 -0.18271E-01 7536 0.242E+01 0.367E-01 RMM: 2 -0.350955675096E+03 -0.12740E-01 -0.82707E-02 5027 0.683E-01 0.108E+00 RMM: 3 -0.350947857227E+03 0.78179E-02 -0.90588E-03 5390 0.209E-01 0.230E-01 RMM: 4 -0.350948965459E+03 -0.11082E-02 -0.21696E-03 5158 0.115E-01 0.494E-01 RMM: 5 -0.350947470507E+03 0.14950E-02 -0.97661E-04 4608 0.852E-02 0.159E-01 RMM: 6 -0.350947381901E+03 0.88606E-04 -0.22965E-04 3895 0.388E-02 0.118E-01 RMM: 7 -0.350947361454E+03 0.20447E-04 -0.10929E-04 3813 0.314E-02 0.114E-01 RMM: 8 -0.350947278489E+03 0.82965E-04 -0.40197E-05 3164 0.192E-02 0.345E-02 RMM: 9 -0.350947281150E+03 -0.26605E-05 -0.15326E-05 2507 0.110E-02 1505 T= 6541. E= 0.68913364E+03 F= 0.63501955E+03 E0= 0.66498855E+03 EK= 0.54114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350934676356E+03 0.12602E-01 -0.17756E-01 7572 0.237E+01 0.403E-01 RMM: 2 -0.350948859461E+03 -0.14183E-01 -0.84749E-02 5080 0.691E-01 0.119E+00 RMM: 3 -0.350939394703E+03 0.94648E-02 -0.10095E-02 5379 0.226E-01 0.300E-01 RMM: 4 -0.350940498301E+03 -0.11036E-02 -0.25667E-03 5246 0.124E-01 0.520E-01 RMM: 5 -0.350938976554E+03 0.15217E-02 -0.10428E-03 4599 0.870E-02 0.236E-01 RMM: 6 -0.350938638966E+03 0.33759E-03 -0.29502E-04 3927 0.449E-02 0.855E-02 RMM: 7 -0.350938714625E+03 -0.75659E-04 -0.13637E-04 3877 0.326E-02 0.146E-01 RMM: 8 -0.350938577473E+03 0.13715E-03 -0.62282E-05 3439 0.235E-02 0.375E-02 RMM: 9 -0.350938576371E+03 0.11022E-05 -0.16660E-05 2531 0.118E-02 1506 T= 6302. E= 0.68675774E+03 F= 0.63462668E+03 E0= 0.66456451E+03 EK= 0.52131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351004168935E+03 -0.65591E-01 -0.17604E-01 7620 0.233E+01 0.403E-01 RMM: 2 -0.351015622270E+03 -0.11453E-01 -0.85143E-02 5060 0.685E-01 0.101E+00 RMM: 3 -0.351008986806E+03 0.66355E-02 -0.97804E-03 5392 0.219E-01 0.316E-01 RMM: 4 -0.351010237507E+03 -0.12507E-02 -0.24626E-03 5190 0.122E-01 0.550E-01 RMM: 5 -0.351008348446E+03 0.18891E-02 -0.11160E-03 4608 0.905E-02 0.181E-01 RMM: 6 -0.351008196712E+03 0.15173E-03 -0.25907E-04 3914 0.416E-02 0.111E-01 RMM: 7 -0.351008224995E+03 -0.28283E-04 -0.12741E-04 3869 0.321E-02 0.136E-01 RMM: 8 -0.351008103455E+03 0.12154E-03 -0.60259E-05 3407 0.230E-02 0.406E-02 RMM: 9 -0.351008102573E+03 0.88139E-06 -0.17836E-05 2534 0.120E-02 1507 T= 6124. E= 0.68480468E+03 F= 0.63414601E+03 E0= 0.66405893E+03 EK= 0.50659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351154594179E+03 -0.14649E+00 -0.16662E-01 7860 0.230E+01 0.416E-01 RMM: 2 -0.351171018096E+03 -0.16424E-01 -0.77209E-02 5121 0.662E-01 0.139E+00 RMM: 3 -0.351158387738E+03 0.12630E-01 -0.97683E-03 5374 0.228E-01 0.285E-01 RMM: 4 -0.351159626091E+03 -0.12384E-02 -0.26751E-03 5226 0.125E-01 0.537E-01 RMM: 5 -0.351158015134E+03 0.16110E-02 -0.10909E-03 4608 0.901E-02 0.237E-01 RMM: 6 -0.351157679020E+03 0.33611E-03 -0.30870E-04 3937 0.459E-02 0.903E-02 RMM: 7 -0.351157726859E+03 -0.47839E-04 -0.13863E-04 3874 0.338E-02 0.133E-01 RMM: 8 -0.351157611946E+03 0.11491E-03 -0.58923E-05 3399 0.231E-02 0.385E-02 RMM: 9 -0.351157611399E+03 0.54672E-06 -0.15220E-05 2528 0.111E-02 1508 T= 6060. E= 0.68371140E+03 F= 0.63357792E+03 E0= 0.66347273E+03 EK= 0.50133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351373538935E+03 -0.21593E+00 -0.16634E-01 7968 0.229E+01 0.402E-01 RMM: 2 -0.351386716679E+03 -0.13178E-01 -0.80660E-02 5105 0.670E-01 0.116E+00 RMM: 3 -0.351377970845E+03 0.87458E-02 -0.99172E-03 5386 0.226E-01 0.319E-01 RMM: 4 -0.351378705234E+03 -0.73439E-03 -0.23562E-03 5086 0.118E-01 0.477E-01 RMM: 5 -0.351377457080E+03 0.12482E-02 -0.10867E-03 4608 0.900E-02 0.240E-01 RMM: 6 -0.351377131911E+03 0.32517E-03 -0.32120E-04 3932 0.470E-02 0.104E-01 RMM: 7 -0.351377187255E+03 -0.55344E-04 -0.15782E-04 3879 0.359E-02 0.144E-01 RMM: 8 -0.351377051466E+03 0.13579E-03 -0.70570E-05 3525 0.250E-02 0.456E-02 RMM: 9 -0.351377045145E+03 0.63202E-05 -0.17493E-05 2536 0.121E-02 1509 T= 6126. E= 0.68361369E+03 F= 0.63293614E+03 E0= 0.66281999E+03 EK= 0.50678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351636628161E+03 -0.25958E+00 -0.16368E-01 7848 0.231E+01 0.388E-01 RMM: 2 -0.351651346352E+03 -0.14718E-01 -0.81345E-02 5156 0.664E-01 0.123E+00 RMM: 3 -0.351641192673E+03 0.10154E-01 -0.94973E-03 5389 0.219E-01 0.277E-01 RMM: 4 -0.351642054775E+03 -0.86210E-03 -0.23340E-03 5035 0.118E-01 0.481E-01 RMM: 5 -0.351640777351E+03 0.12774E-02 -0.11396E-03 4609 0.933E-02 0.223E-01 RMM: 6 -0.351640518019E+03 0.25933E-03 -0.30603E-04 3906 0.454E-02 0.114E-01 RMM: 7 -0.351640518441E+03 -0.42225E-06 -0.16794E-04 3878 0.393E-02 1510 T= 6298. E= 0.68435018E+03 F= 0.63225034E+03 E0= 0.66212967E+03 EK= 0.52100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351907084893E+03 -0.26657E+00 -0.16767E-01 7968 0.234E+01 0.391E-01 RMM: 2 -0.351917064414E+03 -0.99795E-02 -0.77688E-02 5217 0.649E-01 0.931E-01 RMM: 3 -0.351911496813E+03 0.55676E-02 -0.83083E-03 5453 0.198E-01 0.307E-01 RMM: 4 -0.351912536497E+03 -0.10397E-02 -0.24010E-03 4949 0.125E-01 0.534E-01 RMM: 5 -0.351910850436E+03 0.16861E-02 -0.13933E-03 4611 0.103E-01 0.199E-01 RMM: 6 -0.351910751195E+03 0.99240E-04 -0.37869E-04 4061 0.499E-02 0.169E-01 RMM: 7 -0.351910616726E+03 0.13447E-03 -0.25425E-04 3927 0.495E-02 0.118E-01 RMM: 8 -0.351910535834E+03 0.80892E-04 -0.63321E-05 3412 0.239E-02 0.478E-02 RMM: 9 -0.351910549356E+03 -0.13522E-04 -0.32722E-05 2900 0.163E-02 1511 T= 6518. E= 0.68548556E+03 F= 0.63156049E+03 E0= 0.66144039E+03 EK= 0.53925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352141137394E+03 -0.23060E+00 -0.18020E-01 8256 0.237E+01 0.306E-01 RMM: 2 -0.352154646679E+03 -0.13509E-01 -0.95701E-02 5090 0.714E-01 0.978E-01 RMM: 3 -0.352147939914E+03 0.67068E-02 -0.10147E-02 5548 0.207E-01 0.242E-01 RMM: 4 -0.352148070078E+03 -0.13016E-03 -0.16272E-03 4820 0.988E-02 0.327E-01 RMM: 5 -0.352147550395E+03 0.51968E-03 -0.92298E-04 4611 0.854E-02 0.199E-01 RMM: 6 -0.352147363247E+03 0.18715E-03 -0.28434E-04 3921 0.441E-02 0.112E-01 RMM: 7 -0.352147392217E+03 -0.28970E-04 -0.13721E-04 3853 0.353E-02 0.135E-01 RMM: 8 -0.352147271739E+03 0.12048E-03 -0.52496E-05 3347 0.219E-02 0.324E-02 RMM: 9 -0.352147268456E+03 0.32828E-05 -0.85540E-06 2480 0.857E-03 1512 T= 6708. E= 0.68639987E+03 F= 0.63090675E+03 E0= 0.66078998E+03 EK= 0.55493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352312715614E+03 -0.16544E+00 -0.17993E-01 8364 0.239E+01 0.379E-01 RMM: 2 -0.352322403878E+03 -0.96883E-02 -0.85637E-02 5260 0.667E-01 0.835E-01 RMM: 3 -0.352317806449E+03 0.45974E-02 -0.86203E-03 5532 0.197E-01 0.295E-01 RMM: 4 -0.352318818943E+03 -0.10125E-02 -0.23827E-03 5013 0.127E-01 0.519E-01 RMM: 5 -0.352317213564E+03 0.16054E-02 -0.11745E-03 4616 0.927E-02 0.203E-01 RMM: 6 -0.352317068520E+03 0.14504E-03 -0.39520E-04 4119 0.514E-02 0.153E-01 RMM: 7 -0.352317034580E+03 0.33940E-04 -0.20666E-04 3872 0.436E-02 0.146E-01 RMM: 8 -0.352316894474E+03 0.14011E-03 -0.75650E-05 3554 0.259E-02 0.425E-02 RMM: 9 -0.352316901322E+03 -0.68479E-05 -0.25858E-05 2719 0.150E-02 1513 T= 6792. E= 0.68650577E+03 F= 0.63032087E+03 E0= 0.66020910E+03 EK= 0.56185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352396279150E+03 -0.79385E-01 -0.17854E-01 8664 0.239E+01 0.331E-01 RMM: 2 -0.352406291250E+03 -0.10012E-01 -0.89500E-02 5161 0.666E-01 0.754E-01 RMM: 3 -0.352402129356E+03 0.41619E-02 -0.81587E-03 5504 0.191E-01 0.269E-01 RMM: 4 -0.352402850420E+03 -0.72106E-03 -0.20512E-03 4951 0.116E-01 0.454E-01 RMM: 5 -0.352401578903E+03 0.12715E-02 -0.10176E-03 4609 0.869E-02 0.150E-01 RMM: 6 -0.352401566852E+03 0.12051E-04 -0.26553E-04 3893 0.418E-02 0.152E-01 RMM: 7 -0.352401475372E+03 0.91480E-04 -0.14639E-04 3872 0.375E-02 0.108E-01 RMM: 8 -0.352401401533E+03 0.73839E-04 -0.43224E-05 3183 0.199E-02 0.350E-02 RMM: 9 -0.352401406420E+03 -0.48868E-05 -0.15083E-05 2519 0.114E-02 1514 T= 6735. E= 0.68553441E+03 F= 0.62981739E+03 E0= 0.65970889E+03 EK= 0.55717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352401152551E+03 0.24898E-03 -0.17512E-01 8736 0.237E+01 0.398E-01 RMM: 2 -0.352413907630E+03 -0.12755E-01 -0.86158E-02 5269 0.662E-01 0.110E+00 RMM: 3 -0.352405721363E+03 0.81863E-02 -0.82869E-03 5443 0.202E-01 0.270E-01 RMM: 4 -0.352406981505E+03 -0.12601E-02 -0.25292E-03 5116 0.126E-01 0.539E-01 RMM: 5 -0.352405232770E+03 0.17487E-02 -0.11864E-03 4612 0.941E-02 0.193E-01 RMM: 6 -0.352405059674E+03 0.17310E-03 -0.30629E-04 3955 0.451E-02 0.119E-01 RMM: 7 -0.352405089546E+03 -0.29872E-04 -0.14808E-04 3870 0.358E-02 0.146E-01 RMM: 8 -0.352404952581E+03 0.13697E-03 -0.62904E-05 3454 0.237E-02 0.386E-02 RMM: 9 -0.352404953489E+03 -0.90783E-06 -0.16147E-05 2527 0.117E-02 1515 T= 6564. E= 0.68368621E+03 F= 0.62938833E+03 E0= 0.65928114E+03 EK= 0.54298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352347900886E+03 0.57052E-01 -0.17198E-01 8808 0.234E+01 0.410E-01 RMM: 2 -0.352359749200E+03 -0.11848E-01 -0.92651E-02 5206 0.678E-01 0.994E-01 RMM: 3 -0.352352999903E+03 0.67493E-02 -0.87421E-03 5468 0.204E-01 0.298E-01 RMM: 4 -0.352354350512E+03 -0.13506E-02 -0.26644E-03 5141 0.129E-01 0.563E-01 RMM: 5 -0.352352367834E+03 0.19827E-02 -0.12344E-03 4608 0.950E-02 0.177E-01 RMM: 6 -0.352352250476E+03 0.11736E-03 -0.29472E-04 3920 0.442E-02 0.125E-01 RMM: 7 -0.352352258483E+03 -0.80075E-05 -0.12083E-04 3861 0.322E-02 1516 T= 6347. E= 0.68151478E+03 F= 0.62900635E+03 E0= 0.65889796E+03 EK= 0.52508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352275416199E+03 0.76834E-01 -0.17225E-01 8448 0.231E+01 0.467E-01 RMM: 2 -0.352290680096E+03 -0.15264E-01 -0.10466E-01 5120 0.736E-01 0.120E+00 RMM: 3 -0.352281101418E+03 0.95787E-02 -0.11142E-02 5428 0.233E-01 0.335E-01 RMM: 4 -0.352282866292E+03 -0.17649E-02 -0.34492E-03 5159 0.146E-01 0.644E-01 RMM: 5 -0.352280351276E+03 0.25150E-02 -0.15509E-03 4613 0.106E-01 0.216E-01 RMM: 6 -0.352280150890E+03 0.20039E-03 -0.36718E-04 4109 0.488E-02 0.141E-01 RMM: 7 -0.352280143552E+03 0.73375E-05 -0.18649E-04 3889 0.392E-02 1517 T= 6166. E= 0.67964264E+03 F= 0.62863414E+03 E0= 0.65852181E+03 EK= 0.51009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352220460540E+03 0.59690E-01 -0.16779E-01 8652 0.229E+01 0.446E-01 RMM: 2 -0.352235699616E+03 -0.15239E-01 -0.92662E-02 5223 0.695E-01 0.127E+00 RMM: 3 -0.352225018151E+03 0.10681E-01 -0.98575E-03 5432 0.225E-01 0.309E-01 RMM: 4 -0.352226535042E+03 -0.15169E-02 -0.31142E-03 5206 0.138E-01 0.585E-01 RMM: 5 -0.352224499613E+03 0.20354E-02 -0.13245E-03 4610 0.980E-02 0.231E-01 RMM: 6 -0.352224201489E+03 0.29812E-03 -0.36870E-04 4029 0.498E-02 0.104E-01 RMM: 7 -0.352224302852E+03 -0.10136E-03 -0.13254E-04 3866 0.320E-02 0.167E-01 RMM: 8 -0.352224116479E+03 0.18637E-03 -0.67676E-05 3535 0.248E-02 0.383E-02 RMM: 9 -0.352224120184E+03 -0.37045E-05 -0.21181E-05 2609 0.131E-02 1518 T= 6079. E= 0.67853051E+03 F= 0.62823812E+03 E0= 0.65812083E+03 EK= 0.50292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352203612060E+03 0.20504E-01 -0.16613E-01 8688 0.229E+01 0.407E-01 RMM: 2 -0.352218876665E+03 -0.15265E-01 -0.85132E-02 5251 0.656E-01 0.127E+00 RMM: 3 -0.352207935041E+03 0.10942E-01 -0.90940E-03 5387 0.216E-01 0.248E-01 RMM: 4 -0.352209496508E+03 -0.15615E-02 -0.25977E-03 5136 0.125E-01 0.568E-01 RMM: 5 -0.352207516891E+03 0.19796E-02 -0.11079E-03 4609 0.903E-02 0.175E-01 RMM: 6 -0.352207368636E+03 0.14826E-03 -0.24986E-04 3904 0.404E-02 0.105E-01 RMM: 7 -0.352207386128E+03 -0.17492E-04 -0.11053E-04 3813 0.304E-02 1519 T= 6114. E= 0.67837690E+03 F= 0.62779875E+03 E0= 0.65767673E+03 EK= 0.50578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352232705921E+03 -0.25337E-01 -0.16653E-01 8616 0.231E+01 0.450E-01 RMM: 2 -0.352243070072E+03 -0.10364E-01 -0.80903E-02 5283 0.657E-01 0.101E+00 RMM: 3 -0.352236446213E+03 0.66239E-02 -0.82159E-03 5455 0.202E-01 0.332E-01 RMM: 4 -0.352238070723E+03 -0.16245E-02 -0.31951E-03 5052 0.144E-01 0.627E-01 RMM: 5 -0.352235562421E+03 0.25083E-02 -0.16703E-03 4608 0.110E-01 0.158E-01 RMM: 6 -0.352235599395E+03 -0.36974E-04 -0.33614E-04 3933 0.467E-02 0.183E-01 RMM: 7 -0.352235453835E+03 0.14556E-03 -0.16797E-04 3880 0.394E-02 0.126E-01 RMM: 8 -0.352235354993E+03 0.98842E-04 -0.63380E-05 3426 0.233E-02 0.423E-02 RMM: 9 -0.352235378091E+03 -0.23098E-04 -0.27556E-05 2762 0.149E-02 0.800E-02 RMM: 10 -0.352235335762E+03 0.42328E-04 -0.22425E-05 2547 0.149E-02 0.298E-02 RMM: 11 -0.352235329587E+03 0.61753E-05 -0.58818E-06 2437 0.734E-03 1520 T= 6259. E= 0.67909481E+03 F= 0.62731480E+03 E0= 0.65718928E+03 EK= 0.51780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352288091812E+03 -0.52756E-01 -0.17074E-01 8556 0.235E+01 0.352E-01 RMM: 2 -0.352297003928E+03 -0.89121E-02 -0.78257E-02 5249 0.644E-01 0.817E-01 RMM: 3 -0.352292571698E+03 0.44322E-02 -0.73528E-03 5580 0.182E-01 0.254E-01 RMM: 4 -0.352293363400E+03 -0.79170E-03 -0.19334E-03 4832 0.111E-01 0.464E-01 RMM: 5 -0.352292092778E+03 0.12706E-02 -0.10803E-03 4608 0.908E-02 0.185E-01 RMM: 6 -0.352291947550E+03 0.14523E-03 -0.30186E-04 3949 0.451E-02 0.121E-01 RMM: 7 -0.352291936171E+03 0.11380E-04 -0.12216E-04 3846 0.348E-02 1521 T= 6469. E= 0.68032143E+03 F= 0.62680538E+03 E0= 0.65667538E+03 EK= 0.53516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352332649302E+03 -0.40702E-01 -0.18002E-01 8544 0.238E+01 0.424E-01 RMM: 2 -0.352340124932E+03 -0.74756E-02 -0.75015E-02 5336 0.633E-01 0.794E-01 RMM: 3 -0.352336285453E+03 0.38395E-02 -0.69138E-03 5521 0.181E-01 0.331E-01 RMM: 4 -0.352337702883E+03 -0.14174E-02 -0.27514E-03 5028 0.136E-01 0.605E-01 RMM: 5 -0.352335346252E+03 0.23566E-02 -0.15976E-03 4609 0.108E-01 0.131E-01 RMM: 6 -0.352335481238E+03 -0.13499E-03 -0.41921E-04 4206 0.537E-02 0.207E-01 RMM: 7 -0.352335251489E+03 0.22975E-03 -0.18387E-04 3874 0.414E-02 0.106E-01 RMM: 8 -0.352335185016E+03 0.66474E-04 -0.41889E-05 3152 0.193E-02 0.452E-02 RMM: 9 -0.352335200663E+03 -0.15647E-04 -0.35267E-05 2922 0.168E-02 1522 T= 6669. E= 0.68148209E+03 F= 0.62631339E+03 E0= 0.65618066E+03 EK= 0.55169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352301221924E+03 0.33963E-01 -0.18597E-01 8604 0.241E+01 0.302E-01 RMM: 2 -0.352308616387E+03 -0.73945E-02 -0.72388E-02 5285 0.624E-01 0.647E-01 RMM: 3 -0.352305797007E+03 0.28194E-02 -0.63581E-03 5645 0.163E-01 0.237E-01 RMM: 4 -0.352306333410E+03 -0.53640E-03 -0.15393E-03 4704 0.103E-01 0.409E-01 RMM: 5 -0.352305313991E+03 0.10194E-02 -0.95721E-04 4607 0.857E-02 0.149E-01 RMM: 6 -0.352305305911E+03 0.80795E-05 -0.32629E-04 3969 0.469E-02 0.152E-01 RMM: 7 -0.352305188078E+03 0.11783E-03 -0.13971E-04 3857 0.382E-02 0.859E-02 RMM: 8 -0.352305141769E+03 0.46309E-04 -0.19837E-05 2582 0.142E-02 0.275E-02 RMM: 9 -0.352305142084E+03 -0.31548E-06 -0.93610E-06 2463 0.903E-03 1523 T= 6778. E= 0.68196891E+03 F= 0.62589729E+03 E0= 0.65575865E+03 EK= 0.56072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352132499480E+03 0.17264E+00 -0.18453E-01 8592 0.242E+01 0.394E-01 RMM: 2 -0.352138210688E+03 -0.57112E-02 -0.68648E-02 5275 0.597E-01 0.625E-01 RMM: 3 -0.352135916804E+03 0.22939E-02 -0.61832E-03 5400 0.174E-01 0.357E-01 RMM: 4 -0.352136953477E+03 -0.10367E-02 -0.23803E-03 4995 0.129E-01 0.564E-01 RMM: 5 -0.352134922458E+03 0.20310E-02 -0.12043E-03 4604 0.930E-02 0.127E-01 RMM: 6 -0.352135003481E+03 -0.81022E-04 -0.33741E-04 3932 0.480E-02 0.181E-01 RMM: 7 -0.352134822936E+03 0.18054E-03 -0.16283E-04 3872 0.401E-02 0.920E-02 RMM: 8 -0.352134773854E+03 0.49082E-04 -0.30578E-05 2927 0.171E-02 0.410E-02 RMM: 9 -0.352134782603E+03 -0.87495E-05 -0.23190E-05 2603 0.139E-02 1524 T= 6746. E= 0.68142715E+03 F= 0.62562064E+03 E0= 0.65547348E+03 EK= 0.55807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351759543994E+03 0.37523E+00 -0.17860E-01 8376 0.240E+01 0.355E-01 RMM: 2 -0.351765465230E+03 -0.59212E-02 -0.67285E-02 5168 0.595E-01 0.603E-01 RMM: 3 -0.351763147846E+03 0.23174E-02 -0.62332E-03 5446 0.171E-01 0.306E-01 RMM: 4 -0.351764098537E+03 -0.95069E-03 -0.20859E-03 4985 0.121E-01 0.516E-01 RMM: 5 -0.351762400685E+03 0.16979E-02 -0.10845E-03 4604 0.889E-02 0.128E-01 RMM: 6 -0.351762452359E+03 -0.51674E-04 -0.31687E-04 3962 0.466E-02 0.167E-01 RMM: 7 -0.351762318161E+03 0.13420E-03 -0.14435E-04 3864 0.381E-02 0.992E-02 RMM: 8 -0.351762256677E+03 0.61483E-04 -0.32063E-05 2972 0.175E-02 0.351E-02 RMM: 9 -0.351762261595E+03 -0.49176E-05 -0.18821E-05 2520 0.129E-02 1525 T= 6579. E= 0.67997115E+03 F= 0.62554142E+03 E0= 0.65538141E+03 EK= 0.54430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351144009453E+03 0.61825E+00 -0.17392E-01 8196 0.237E+01 0.394E-01 RMM: 2 -0.351149782635E+03 -0.57732E-02 -0.59639E-02 5228 0.552E-01 0.726E-01 RMM: 3 -0.351146437401E+03 0.33452E-02 -0.57398E-03 5353 0.172E-01 0.348E-01 RMM: 4 -0.351147441962E+03 -0.10046E-02 -0.24457E-03 5046 0.132E-01 0.551E-01 RMM: 5 -0.351145563919E+03 0.18780E-02 -0.10370E-03 4607 0.867E-02 0.141E-01 RMM: 6 -0.351145562730E+03 0.11889E-05 -0.26468E-04 3907 0.421E-02 0.150E-01 RMM: 7 -0.351145470546E+03 0.92184E-04 -0.12957E-04 3858 0.351E-02 0.109E-01 RMM: 8 -0.351145394378E+03 0.76168E-04 -0.42670E-05 3198 0.197E-02 0.333E-02 RMM: 9 -0.351145403521E+03 -0.91425E-05 -0.22437E-05 2610 0.138E-02 1526 T= 6339. E= 0.67814002E+03 F= 0.62569896E+03 E0= 0.65552088E+03 EK= 0.52441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350265040263E+03 0.88035E+00 -0.17066E-01 8232 0.234E+01 0.408E-01 RMM: 2 -0.350270522756E+03 -0.54825E-02 -0.59728E-02 5093 0.561E-01 0.734E-01 RMM: 3 -0.350267329758E+03 0.31930E-02 -0.62827E-03 5366 0.179E-01 0.355E-01 RMM: 4 -0.350268565703E+03 -0.12359E-02 -0.24245E-03 5181 0.129E-01 0.585E-01 RMM: 5 -0.350266405867E+03 0.21598E-02 -0.11715E-03 4605 0.924E-02 0.140E-01 RMM: 6 -0.350266395783E+03 0.10084E-04 -0.28833E-04 3916 0.440E-02 0.144E-01 RMM: 7 -0.350266319394E+03 0.76389E-04 -0.11357E-04 3856 0.335E-02 0.108E-01 RMM: 8 -0.350266242833E+03 0.76561E-04 -0.33864E-05 3011 0.177E-02 0.337E-02 RMM: 9 -0.350266252206E+03 -0.93728E-05 -0.20894E-05 2577 0.132E-02 1527 T= 6107. E= 0.67663337E+03 F= 0.62611082E+03 E0= 0.65590965E+03 EK= 0.50523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349124990212E+03 0.11413E+01 -0.16897E-01 8208 0.231E+01 0.421E-01 RMM: 2 -0.349131152004E+03 -0.61618E-02 -0.58846E-02 5112 0.561E-01 0.827E-01 RMM: 3 -0.349127037270E+03 0.41147E-02 -0.66203E-03 5373 0.184E-01 0.359E-01 RMM: 4 -0.349128182413E+03 -0.11451E-02 -0.24263E-03 5187 0.128E-01 0.572E-01 RMM: 5 -0.349126125645E+03 0.20568E-02 -0.10183E-03 4604 0.861E-02 0.144E-01 RMM: 6 -0.349126089283E+03 0.36362E-04 -0.25864E-04 3925 0.414E-02 0.134E-01 RMM: 7 -0.349126049030E+03 0.40254E-04 -0.10816E-04 3823 0.310E-02 0.122E-01 RMM: 8 -0.349125951080E+03 0.97950E-04 -0.49303E-05 3291 0.209E-02 0.312E-02 RMM: 9 -0.349125962689E+03 -0.11609E-04 -0.22168E-05 2635 0.135E-02 1528 T= 5955. E= 0.67604343E+03 F= 0.62677841E+03 E0= 0.65654915E+03 EK= 0.49265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347736708967E+03 0.13892E+01 -0.16791E-01 7716 0.230E+01 0.421E-01 RMM: 2 -0.347743602326E+03 -0.68934E-02 -0.61162E-02 5141 0.570E-01 0.877E-01 RMM: 3 -0.347738866534E+03 0.47358E-02 -0.66627E-03 5404 0.181E-01 0.331E-01 RMM: 4 -0.347740350895E+03 -0.14844E-02 -0.25339E-03 5161 0.130E-01 0.601E-01 RMM: 5 -0.347738059239E+03 0.22917E-02 -0.11977E-03 4608 0.934E-02 0.148E-01 RMM: 6 -0.347738019225E+03 0.40014E-04 -0.27311E-04 3894 0.424E-02 0.136E-01 RMM: 7 -0.347737970762E+03 0.48462E-04 -0.10151E-04 3840 0.312E-02 0.116E-01 RMM: 8 -0.347737881055E+03 0.89708E-04 -0.39850E-05 3167 0.187E-02 0.307E-02 RMM: 9 -0.347737894129E+03 -0.13074E-04 -0.19252E-05 2560 0.124E-02 1529 T= 5926. E= 0.67672133E+03 F= 0.62769351E+03 E0= 0.65743210E+03 EK= 0.49028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346119116015E+03 0.16188E+01 -0.17002E-01 8028 0.231E+01 0.415E-01 RMM: 2 -0.346126969644E+03 -0.78536E-02 -0.61763E-02 5171 0.586E-01 0.946E-01 RMM: 3 -0.346121398813E+03 0.55708E-02 -0.71952E-03 5383 0.191E-01 0.319E-01 RMM: 4 -0.346122863213E+03 -0.14644E-02 -0.25973E-03 5232 0.130E-01 0.586E-01 RMM: 5 -0.346120740026E+03 0.21232E-02 -0.11478E-03 4606 0.916E-02 0.180E-01 RMM: 6 -0.346120580897E+03 0.15913E-03 -0.26600E-04 3900 0.420E-02 0.107E-01 RMM: 7 -0.346120603491E+03 -0.22594E-04 -0.11104E-04 3812 0.307E-02 0.134E-01 RMM: 8 -0.346120486490E+03 0.11700E-03 -0.50836E-05 3316 0.214E-02 0.317E-02 RMM: 9 -0.346120495292E+03 -0.88013E-05 -0.20164E-05 2563 0.128E-02 1530 T= 6032. E= 0.67874580E+03 F= 0.62884398E+03 E0= 0.65854559E+03 EK= 0.49902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344295473851E+03 0.18250E+01 -0.17249E-01 8172 0.234E+01 0.405E-01 RMM: 2 -0.344305118475E+03 -0.96446E-02 -0.62929E-02 5178 0.593E-01 0.106E+00 RMM: 3 -0.344297909847E+03 0.72086E-02 -0.72161E-03 5406 0.191E-01 0.279E-01 RMM: 4 -0.344299436858E+03 -0.15270E-02 -0.25423E-03 5167 0.128E-01 0.576E-01 RMM: 5 -0.344297370386E+03 0.20665E-02 -0.11744E-03 4608 0.927E-02 0.170E-01 RMM: 6 -0.344297258740E+03 0.11165E-03 -0.27322E-04 3896 0.426E-02 0.121E-01 RMM: 7 -0.344297257156E+03 0.15839E-05 -0.11133E-04 3839 0.317E-02 1531 T= 6249. E= 0.68191076E+03 F= 0.63021196E+03 E0= 0.65987215E+03 EK= 0.51699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342295920696E+03 0.20013E+01 -0.17961E-01 8076 0.238E+01 0.410E-01 RMM: 2 -0.342303413211E+03 -0.74925E-02 -0.65293E-02 5205 0.606E-01 0.870E-01 RMM: 3 -0.342298837804E+03 0.45754E-02 -0.69405E-03 5408 0.184E-01 0.335E-01 RMM: 4 -0.342300095485E+03 -0.12577E-02 -0.27610E-03 5146 0.136E-01 0.571E-01 RMM: 5 -0.342298085187E+03 0.20103E-02 -0.12883E-03 4608 0.965E-02 0.179E-01 RMM: 6 -0.342297994261E+03 0.90926E-04 -0.30605E-04 3923 0.452E-02 0.149E-01 RMM: 7 -0.342297916087E+03 0.78174E-04 -0.16788E-04 3884 0.393E-02 0.119E-01 RMM: 8 -0.342297826294E+03 0.89793E-04 -0.63204E-05 3427 0.238E-02 0.423E-02 RMM: 9 -0.342297844833E+03 -0.18539E-04 -0.24780E-05 2666 0.144E-02 1532 T= 6520. E= 0.68571006E+03 F= 0.63177114E+03 E0= 0.66138577E+03 EK= 0.53939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340157290366E+03 0.21405E+01 -0.18768E-01 8148 0.243E+01 0.338E-01 RMM: 2 -0.340168617976E+03 -0.11328E-01 -0.68416E-02 5143 0.628E-01 0.108E+00 RMM: 3 -0.340160996946E+03 0.76210E-02 -0.75826E-03 5391 0.195E-01 0.229E-01 RMM: 4 -0.340161835730E+03 -0.83878E-03 -0.17500E-03 4849 0.104E-01 0.445E-01 RMM: 5 -0.340160668245E+03 0.11675E-02 -0.88734E-04 4606 0.815E-02 0.172E-01 RMM: 6 -0.340160523017E+03 0.14523E-03 -0.28062E-04 3920 0.436E-02 0.963E-02 RMM: 7 -0.340160547381E+03 -0.24364E-04 -0.90273E-05 3748 0.293E-02 0.118E-01 RMM: 8 -0.340160453841E+03 0.93540E-04 -0.33049E-05 3030 0.179E-02 0.268E-02 RMM: 9 -0.340160452417E+03 0.14238E-05 -0.81739E-06 2466 0.841E-03 1533 T= 6758. E= 0.68938894E+03 F= 0.63348355E+03 E0= 0.66304883E+03 EK= 0.55905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337938165013E+03 0.22223E+01 -0.18917E-01 8160 0.246E+01 0.375E-01 RMM: 2 -0.337946490854E+03 -0.83258E-02 -0.69244E-02 5203 0.632E-01 0.868E-01 RMM: 3 -0.337941690505E+03 0.48003E-02 -0.71560E-03 5385 0.188E-01 0.291E-01 RMM: 4 -0.337942577163E+03 -0.88666E-03 -0.22352E-03 5125 0.120E-01 0.494E-01 RMM: 5 -0.337941094560E+03 0.14826E-02 -0.12413E-03 4610 0.966E-02 0.173E-01 RMM: 6 -0.337940996485E+03 0.98075E-04 -0.25790E-04 3898 0.418E-02 0.135E-01 RMM: 7 -0.337940940496E+03 0.55989E-04 -0.16272E-04 3868 0.388E-02 0.118E-01 RMM: 8 -0.337940852513E+03 0.87983E-04 -0.55057E-05 3342 0.222E-02 0.373E-02 RMM: 9 -0.337940861495E+03 -0.89818E-05 -0.21044E-05 2574 0.133E-02 1534 T= 6875. E= 0.69216742E+03 F= 0.63529074E+03 E0= 0.66480377E+03 EK= 0.56877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335714983595E+03 0.22259E+01 -0.19286E-01 7992 0.247E+01 0.344E-01 RMM: 2 -0.335725895506E+03 -0.10912E-01 -0.78755E-02 5099 0.671E-01 0.969E-01 RMM: 3 -0.335719680431E+03 0.62151E-02 -0.80279E-03 5442 0.193E-01 0.252E-01 RMM: 4 -0.335720366802E+03 -0.68637E-03 -0.19697E-03 4997 0.113E-01 0.435E-01 RMM: 5 -0.335719258594E+03 0.11082E-02 -0.10541E-03 4608 0.891E-02 0.186E-01 RMM: 6 -0.335719118181E+03 0.14041E-03 -0.30064E-04 3915 0.449E-02 0.124E-01 RMM: 7 -0.335719102327E+03 0.15853E-04 -0.14109E-04 3844 0.370E-02 1535 T= 6828. E= 0.69359764E+03 F= 0.63710828E+03 E0= 0.66656790E+03 EK= 0.56489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333590772132E+03 0.21283E+01 -0.18642E-01 7752 0.246E+01 0.413E-01 RMM: 2 -0.333600496262E+03 -0.97241E-02 -0.82548E-02 5110 0.688E-01 0.916E-01 RMM: 3 -0.333595256210E+03 0.52401E-02 -0.88321E-03 5410 0.207E-01 0.341E-01 RMM: 4 -0.333596518632E+03 -0.12624E-02 -0.27295E-03 5205 0.134E-01 0.573E-01 RMM: 5 -0.333594474877E+03 0.20438E-02 -0.13892E-03 4619 0.101E-01 0.179E-01 RMM: 6 -0.333594384454E+03 0.90422E-04 -0.32546E-04 3950 0.469E-02 0.151E-01 RMM: 7 -0.333594331833E+03 0.52622E-04 -0.19324E-04 3880 0.419E-02 0.135E-01 RMM: 8 -0.333594216743E+03 0.11509E-03 -0.75451E-05 3536 0.260E-02 0.435E-02 RMM: 9 -0.333594229039E+03 -0.12296E-04 -0.27957E-05 2806 0.154E-02 1536 T= 6644. E= 0.69379944E+03 F= 0.63883254E+03 E0= 0.66824100E+03 EK= 0.54967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331670102393E+03 0.19241E+01 -0.17598E-01 7764 0.242E+01 0.340E-01 RMM: 2 -0.331681185875E+03 -0.11083E-01 -0.79696E-02 5084 0.672E-01 0.957E-01 RMM: 3 -0.331674972116E+03 0.62138E-02 -0.83534E-03 5402 0.201E-01 0.275E-01 RMM: 4 -0.331675489275E+03 -0.51716E-03 -0.18700E-03 4932 0.106E-01 0.402E-01 RMM: 5 -0.331674588355E+03 0.90092E-03 -0.79450E-04 4600 0.766E-02 0.203E-01 RMM: 6 -0.331674336497E+03 0.25186E-03 -0.23461E-04 3896 0.403E-02 0.665E-02 RMM: 7 -0.331674398504E+03 -0.62007E-04 -0.81160E-05 3629 0.263E-02 0.121E-01 RMM: 8 -0.331674300926E+03 0.97578E-04 -0.38132E-05 3124 0.193E-02 0.288E-02 RMM: 9 -0.331674298223E+03 0.27025E-05 -0.83922E-06 2472 0.836E-03 1537 T= 6407. E= 0.69335480E+03 F= 0.64035220E+03 E0= 0.66971366E+03 EK= 0.53003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330058006653E+03 0.16163E+01 -0.16821E-01 7944 0.238E+01 0.412E-01 RMM: 2 -0.330068321544E+03 -0.10315E-01 -0.77558E-02 5214 0.669E-01 0.101E+00 RMM: 3 -0.330061749649E+03 0.65719E-02 -0.81652E-03 5398 0.202E-01 0.294E-01 RMM: 4 -0.330063182252E+03 -0.14326E-02 -0.26382E-03 5272 0.130E-01 0.564E-01 RMM: 5 -0.330061166155E+03 0.20161E-02 -0.11473E-03 4609 0.924E-02 0.176E-01 RMM: 6 -0.330061016561E+03 0.14959E-03 -0.22667E-04 3896 0.384E-02 0.107E-01 RMM: 7 -0.330061020606E+03 -0.40452E-05 -0.12998E-04 3867 0.336E-02 1538 T= 6213. E= 0.69296453E+03 F= 0.64156455E+03 E0= 0.67088587E+03 EK= 0.51400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328826728904E+03 0.12343E+01 -0.16542E-01 7788 0.236E+01 0.413E-01 RMM: 2 -0.328834937670E+03 -0.82088E-02 -0.83783E-02 5143 0.692E-01 0.771E-01 RMM: 3 -0.328831477346E+03 0.34603E-02 -0.89664E-03 5440 0.205E-01 0.345E-01 RMM: 4 -0.328832908602E+03 -0.14313E-02 -0.22232E-03 5107 0.119E-01 0.597E-01 RMM: 5 -0.328830561949E+03 0.23467E-02 -0.11312E-03 4613 0.898E-02 0.133E-01 RMM: 6 -0.328830563040E+03 -0.10905E-05 -0.28091E-04 3895 0.427E-02 0.145E-01 RMM: 7 -0.328830506409E+03 0.56631E-04 -0.12598E-04 3867 0.339E-02 0.122E-01 RMM: 8 -0.328830408154E+03 0.98254E-04 -0.53316E-05 3324 0.214E-02 0.402E-02 RMM: 9 -0.328830417340E+03 -0.91860E-05 -0.23608E-05 2638 0.139E-02 1539 T= 6135. E= 0.69314837E+03 F= 0.64239485E+03 E0= 0.67168430E+03 EK= 0.50754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328019937901E+03 0.81047E+00 -0.16218E-01 8076 0.236E+01 0.352E-01 RMM: 2 -0.328031716342E+03 -0.11778E-01 -0.76946E-02 5265 0.677E-01 0.106E+00 RMM: 3 -0.328024260227E+03 0.74561E-02 -0.82428E-03 5403 0.204E-01 0.237E-01 RMM: 4 -0.328025029925E+03 -0.76970E-03 -0.18519E-03 4810 0.106E-01 0.426E-01 RMM: 5 -0.328023981048E+03 0.10489E-02 -0.73454E-04 4597 0.733E-02 0.192E-01 RMM: 6 -0.328023759670E+03 0.22138E-03 -0.20655E-04 3894 0.375E-02 0.712E-02 RMM: 7 -0.328023816826E+03 -0.57156E-04 -0.90643E-05 3678 0.266E-02 0.119E-01 RMM: 8 -0.328023720672E+03 0.96154E-04 -0.42912E-05 3175 0.207E-02 0.274E-02 RMM: 9 -0.328023717585E+03 0.30862E-05 -0.81339E-06 2475 0.819E-03 1540 T= 6202. E= 0.69410827E+03 F= 0.64280460E+03 E0= 0.67207063E+03 EK= 0.51304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327633241522E+03 0.39048E+00 -0.16348E-01 7848 0.239E+01 0.366E-01 RMM: 2 -0.327642128507E+03 -0.88870E-02 -0.82842E-02 5183 0.690E-01 0.782E-01 RMM: 3 -0.327638241101E+03 0.38874E-02 -0.80967E-03 5499 0.189E-01 0.273E-01 RMM: 4 -0.327639338955E+03 -0.10979E-02 -0.20220E-03 4960 0.115E-01 0.514E-01 RMM: 5 -0.327637625864E+03 0.17131E-02 -0.10127E-03 4614 0.857E-02 0.140E-01 RMM: 6 -0.327637609390E+03 0.16474E-04 -0.27636E-04 3905 0.430E-02 0.141E-01 RMM: 7 -0.327637533504E+03 0.75886E-04 -0.13082E-04 3856 0.358E-02 0.108E-01 RMM: 8 -0.327637459251E+03 0.74253E-04 -0.39875E-05 3132 0.189E-02 0.376E-02 RMM: 9 -0.327637462871E+03 -0.36197E-05 -0.20798E-05 2550 0.134E-02 1541 T= 6394. E= 0.69569267E+03 F= 0.64279993E+03 E0= 0.67205115E+03 EK= 0.52893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327611599917E+03 0.25859E-01 -0.16607E-01 8172 0.244E+01 0.344E-01 RMM: 2 -0.327625137268E+03 -0.13537E-01 -0.80494E-02 5293 0.702E-01 0.116E+00 RMM: 3 -0.327616417738E+03 0.87195E-02 -0.82584E-03 5386 0.205E-01 0.246E-01 RMM: 4 -0.327616711418E+03 -0.29368E-03 -0.16545E-03 4722 0.101E-01 0.348E-01 RMM: 5 -0.327616053067E+03 0.65835E-03 -0.92022E-04 4608 0.844E-02 0.193E-01 RMM: 6 -0.327615895092E+03 0.15798E-03 -0.28154E-04 3904 0.437E-02 0.123E-01 RMM: 7 -0.327615907875E+03 -0.12783E-04 -0.15812E-04 3863 0.376E-02 1542 T= 6644. E= 0.69740322E+03 F= 0.64243783E+03 E0= 0.67168168E+03 EK= 0.54965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327850573656E+03 -0.23468E+00 -0.17552E-01 8028 0.248E+01 0.368E-01 RMM: 2 -0.327862186075E+03 -0.11612E-01 -0.90740E-02 5227 0.744E-01 0.955E-01 RMM: 3 -0.327856333919E+03 0.58522E-02 -0.87945E-03 5467 0.201E-01 0.282E-01 RMM: 4 -0.327856841946E+03 -0.50803E-03 -0.19388E-03 4858 0.113E-01 0.431E-01 RMM: 5 -0.327855670474E+03 0.11715E-02 -0.14095E-03 4621 0.105E-01 0.154E-01 RMM: 6 -0.327855803917E+03 -0.13344E-03 -0.38504E-04 3999 0.515E-02 0.217E-01 RMM: 7 -0.327855538948E+03 0.26497E-03 -0.23824E-04 3890 0.487E-02 0.110E-01 RMM: 8 -0.327855466338E+03 0.72610E-04 -0.61834E-05 3402 0.230E-02 0.464E-02 RMM: 9 -0.327855478133E+03 -0.11795E-04 -0.28888E-05 2672 0.161E-02 1543 T= 6851. E= 0.69850093E+03 F= 0.64182080E+03 E0= 0.67106183E+03 EK= 0.56680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328218843075E+03 -0.36338E+00 -0.17543E-01 8064 0.251E+01 0.306E-01 RMM: 2 -0.328233011460E+03 -0.14168E-01 -0.85798E-02 5297 0.732E-01 0.114E+00 RMM: 3 -0.328224538100E+03 0.84734E-02 -0.85747E-03 5405 0.208E-01 0.225E-01 RMM: 4 -0.328224526029E+03 0.12071E-04 -0.11844E-03 4646 0.824E-02 0.259E-01 RMM: 5 -0.328224230034E+03 0.29600E-03 -0.76467E-04 4605 0.788E-02 0.187E-01 RMM: 6 -0.328224077999E+03 0.15203E-03 -0.31674E-04 3952 0.468E-02 0.115E-01 RMM: 7 -0.328224101413E+03 -0.23414E-04 -0.12667E-04 3849 0.343E-02 0.134E-01 RMM: 8 -0.328223980020E+03 0.12139E-03 -0.46414E-05 3254 0.208E-02 0.279E-02 RMM: 9 -0.328223979148E+03 0.87164E-06 -0.10273E-05 2486 0.939E-03 1544 T= 6918. E= 0.69830713E+03 F= 0.64107770E+03 E0= 0.67031880E+03 EK= 0.57229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328590047746E+03 -0.36607E+00 -0.17252E-01 7644 0.251E+01 0.353E-01 RMM: 2 -0.328600027716E+03 -0.99800E-02 -0.84544E-02 5274 0.706E-01 0.864E-01 RMM: 3 -0.328595298578E+03 0.47291E-02 -0.78909E-03 5553 0.184E-01 0.263E-01 RMM: 4 -0.328595801487E+03 -0.50291E-03 -0.19625E-03 4865 0.115E-01 0.425E-01 RMM: 5 -0.328594723569E+03 0.10779E-02 -0.12283E-03 4609 0.966E-02 0.177E-01 RMM: 6 -0.328594705383E+03 0.18187E-04 -0.38511E-04 4053 0.514E-02 0.177E-01 RMM: 7 -0.328594585874E+03 0.11951E-03 -0.20413E-04 3871 0.445E-02 0.130E-01 RMM: 8 -0.328594477149E+03 0.10873E-03 -0.62250E-05 3412 0.235E-02 0.420E-02 RMM: 9 -0.328594480705E+03 -0.35563E-05 -0.21153E-05 2563 0.137E-02 1545 T= 6803. E= 0.69660662E+03 F= 0.64033079E+03 E0= 0.66957470E+03 EK= 0.56276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328876642813E+03 -0.28217E+00 -0.16708E-01 7548 0.248E+01 0.334E-01 RMM: 2 -0.328887723888E+03 -0.11081E-01 -0.79629E-02 5247 0.682E-01 0.966E-01 RMM: 3 -0.328881506366E+03 0.62175E-02 -0.78679E-03 5451 0.192E-01 0.229E-01 RMM: 4 -0.328882153701E+03 -0.64733E-03 -0.16633E-03 4791 0.104E-01 0.417E-01 RMM: 5 -0.328881109706E+03 0.10440E-02 -0.90132E-04 4602 0.825E-02 0.164E-01 RMM: 6 -0.328881054813E+03 0.54893E-04 -0.29766E-04 3906 0.443E-02 0.144E-01 RMM: 7 -0.328881010604E+03 0.44209E-04 -0.14629E-04 3869 0.372E-02 0.127E-01 RMM: 8 -0.328880904059E+03 0.10655E-03 -0.52227E-05 3297 0.218E-02 0.343E-02 RMM: 9 -0.328880906401E+03 -0.23423E-05 -0.17142E-05 2525 0.122E-02 1546 T= 6547. E= 0.69382663E+03 F= 0.63966169E+03 E0= 0.66890956E+03 EK= 0.54165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329051224817E+03 -0.17032E+00 -0.15949E-01 7356 0.243E+01 0.369E-01 RMM: 2 -0.329060968083E+03 -0.97433E-02 -0.76596E-02 5214 0.654E-01 0.917E-01 RMM: 3 -0.329055388559E+03 0.55795E-02 -0.74312E-03 5486 0.185E-01 0.252E-01 RMM: 4 -0.329056352202E+03 -0.96364E-03 -0.21902E-03 5078 0.120E-01 0.488E-01 RMM: 5 -0.329054930044E+03 0.14222E-02 -0.99156E-04 4598 0.850E-02 0.179E-01 RMM: 6 -0.329054796227E+03 0.13382E-03 -0.27441E-04 3921 0.429E-02 0.121E-01 RMM: 7 -0.329054780057E+03 0.16170E-04 -0.12929E-04 3865 0.348E-02 1547 T= 6251. E= 0.69080680E+03 F= 0.63909613E+03 E0= 0.66834925E+03 EK= 0.51711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329139501077E+03 -0.84705E-01 -0.15426E-01 7392 0.238E+01 0.420E-01 RMM: 2 -0.329146451712E+03 -0.69506E-02 -0.75037E-02 5166 0.644E-01 0.727E-01 RMM: 3 -0.329143432174E+03 0.30195E-02 -0.79448E-03 5410 0.195E-01 0.378E-01 RMM: 4 -0.329144583074E+03 -0.11509E-02 -0.23423E-03 5145 0.123E-01 0.582E-01 RMM: 5 -0.329142323300E+03 0.22598E-02 -0.12630E-03 4598 0.956E-02 0.137E-01 RMM: 6 -0.329142363432E+03 -0.40132E-04 -0.27924E-04 3895 0.424E-02 0.167E-01 RMM: 7 -0.329142240747E+03 0.12269E-03 -0.13732E-04 3880 0.352E-02 0.114E-01 RMM: 8 -0.329142158035E+03 0.82712E-04 -0.55065E-05 3332 0.215E-02 0.386E-02 RMM: 9 -0.329142173378E+03 -0.15343E-04 -0.27668E-05 2742 0.150E-02 1548 T= 6016. E= 0.68837938E+03 F= 0.63860810E+03 E0= 0.66786919E+03 EK= 0.49771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329195494003E+03 -0.53336E-01 -0.15489E-01 7728 0.234E+01 0.357E-01 RMM: 2 -0.329206967619E+03 -0.11474E-01 -0.91610E-02 4976 0.719E-01 0.934E-01 RMM: 3 -0.329201233895E+03 0.57337E-02 -0.10295E-02 5501 0.216E-01 0.252E-01 RMM: 4 -0.329202219301E+03 -0.98541E-03 -0.19074E-03 5050 0.107E-01 0.476E-01 RMM: 5 -0.329200785703E+03 0.14336E-02 -0.77068E-04 4586 0.739E-02 0.158E-01 RMM: 6 -0.329200649829E+03 0.13587E-03 -0.21701E-04 3892 0.382E-02 0.799E-02 RMM: 7 -0.329200690561E+03 -0.40732E-04 -0.70330E-05 3525 0.241E-02 0.117E-01 RMM: 8 -0.329200598656E+03 0.91905E-04 -0.36732E-05 3081 0.189E-02 0.250E-02 RMM: 9 -0.329200598568E+03 0.88292E-07 -0.97748E-06 2477 0.883E-03 1549 T= 5917. E= 0.68709430E+03 F= 0.63814306E+03 E0= 0.66741345E+03 EK= 0.48951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329290651767E+03 -0.90053E-01 -0.14968E-01 7644 0.234E+01 0.409E-01 RMM: 2 -0.329298331458E+03 -0.76797E-02 -0.77444E-02 5162 0.659E-01 0.764E-01 RMM: 3 -0.329294771505E+03 0.35600E-02 -0.83604E-03 5413 0.201E-01 0.362E-01 RMM: 4 -0.329295741650E+03 -0.97015E-03 -0.23722E-03 5209 0.123E-01 0.537E-01 RMM: 5 -0.329293837549E+03 0.19041E-02 -0.11085E-03 4604 0.895E-02 0.158E-01 RMM: 6 -0.329293749758E+03 0.87791E-04 -0.22949E-04 3896 0.386E-02 0.120E-01 RMM: 7 -0.329293756088E+03 -0.63304E-05 -0.12421E-04 3871 0.313E-02 1550 T= 5984. E= 0.68714766E+03 F= 0.63764226E+03 E0= 0.66692434E+03 EK= 0.49505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329460806959E+03 -0.16706E+00 -0.15337E-01 7560 0.236E+01 0.399E-01 RMM: 2 -0.329468884719E+03 -0.80778E-02 -0.75533E-02 5129 0.669E-01 0.810E-01 RMM: 3 -0.329464973642E+03 0.39111E-02 -0.86288E-03 5418 0.205E-01 0.318E-01 RMM: 4 -0.329466017602E+03 -0.10440E-02 -0.19959E-03 4952 0.110E-01 0.529E-01 RMM: 5 -0.329464182254E+03 0.18353E-02 -0.10750E-03 4604 0.879E-02 0.148E-01 RMM: 6 -0.329464189792E+03 -0.75379E-05 -0.27345E-04 3899 0.424E-02 0.159E-01 RMM: 7 -0.329464096357E+03 0.93435E-04 -0.12608E-04 3867 0.337E-02 0.120E-01 RMM: 8 -0.329464001689E+03 0.94668E-04 -0.58240E-05 3384 0.221E-02 0.374E-02 RMM: 9 -0.329464015749E+03 -0.14060E-04 -0.25447E-05 2735 0.143E-02 1551 T= 6203. E= 0.68838727E+03 F= 0.63706849E+03 E0= 0.66636247E+03 EK= 0.51319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329708815620E+03 -0.24481E+00 -0.16566E-01 7752 0.239E+01 0.325E-01 RMM: 2 -0.329720940783E+03 -0.12125E-01 -0.91464E-02 4984 0.727E-01 0.945E-01 RMM: 3 -0.329714902191E+03 0.60386E-02 -0.10106E-02 5462 0.217E-01 0.222E-01 RMM: 4 -0.329715587675E+03 -0.68548E-03 -0.16542E-03 4947 0.101E-01 0.416E-01 RMM: 5 -0.329714548862E+03 0.10388E-02 -0.76044E-04 4593 0.748E-02 0.167E-01 RMM: 6 -0.329714415933E+03 0.13293E-03 -0.28017E-04 3906 0.435E-02 0.967E-02 RMM: 7 -0.329714440950E+03 -0.25017E-04 -0.90009E-05 3701 0.287E-02 0.120E-01 RMM: 8 -0.329714346988E+03 0.93962E-04 -0.33689E-05 3058 0.180E-02 0.280E-02 RMM: 9 -0.329714344323E+03 0.26650E-05 -0.81013E-06 2469 0.811E-03 1552 T= 6512. E= 0.69029723E+03 F= 0.63642225E+03 E0= 0.66572739E+03 EK= 0.53875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329996244835E+03 -0.28190E+00 -0.17255E-01 7956 0.244E+01 0.347E-01 RMM: 2 -0.330006611364E+03 -0.10367E-01 -0.92251E-02 5167 0.724E-01 0.807E-01 RMM: 3 -0.330002314189E+03 0.42972E-02 -0.93306E-03 5615 0.199E-01 0.270E-01 RMM: 4 -0.330002720812E+03 -0.40662E-03 -0.18662E-03 4938 0.111E-01 0.408E-01 RMM: 5 -0.330001665562E+03 0.10552E-02 -0.98353E-04 4615 0.848E-02 0.161E-01 RMM: 6 -0.330001681111E+03 -0.15548E-04 -0.32400E-04 3949 0.466E-02 0.173E-01 RMM: 7 -0.330001586921E+03 0.94189E-04 -0.14920E-04 3869 0.371E-02 0.135E-01 RMM: 8 -0.330001468209E+03 0.11871E-03 -0.62710E-05 3438 0.231E-02 0.381E-02 RMM: 9 -0.330001471337E+03 -0.31284E-05 -0.19312E-05 2551 0.127E-02 1553 T= 6804. E= 0.69203221E+03 F= 0.63574738E+03 E0= 0.66506184E+03 EK= 0.56285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330240851721E+03 -0.23938E+00 -0.18757E-01 8112 0.247E+01 0.319E-01 RMM: 2 -0.330254778558E+03 -0.13927E-01 -0.11234E-01 5113 0.785E-01 0.908E-01 RMM: 3 -0.330249014826E+03 0.57637E-02 -0.11626E-02 5644 0.221E-01 0.245E-01 RMM: 4 -0.330249241240E+03 -0.22641E-03 -0.16184E-03 4912 0.101E-01 0.359E-01 RMM: 5 -0.330248442184E+03 0.79906E-03 -0.84367E-04 4602 0.792E-02 0.162E-01 RMM: 6 -0.330248459443E+03 -0.17259E-04 -0.36475E-04 3966 0.488E-02 0.175E-01 RMM: 7 -0.330248373695E+03 0.85748E-04 -0.15720E-04 3884 0.377E-02 0.140E-01 RMM: 8 -0.330248245974E+03 0.12772E-03 -0.58458E-05 3406 0.224E-02 0.368E-02 RMM: 9 -0.330248246912E+03 -0.93719E-06 -0.18056E-05 2539 0.123E-02 1554 T= 6957. E= 0.69266913E+03 F= 0.63511851E+03 E0= 0.66443667E+03 EK= 0.57551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330370203031E+03 -0.12196E+00 -0.19482E-01 8196 0.247E+01 0.352E-01 RMM: 2 -0.330387622193E+03 -0.17419E-01 -0.12773E-01 5076 0.821E-01 0.108E+00 RMM: 3 -0.330379454869E+03 0.81673E-02 -0.13683E-02 5658 0.236E-01 0.245E-01 RMM: 4 -0.330379722762E+03 -0.26789E-03 -0.20651E-03 5112 0.114E-01 0.382E-01 RMM: 5 -0.330378910708E+03 0.81205E-03 -0.93361E-04 4609 0.830E-02 0.198E-01 RMM: 6 -0.330378779457E+03 0.13125E-03 -0.32807E-04 3945 0.468E-02 0.145E-01 RMM: 7 -0.330378756160E+03 0.23297E-04 -0.15775E-04 3881 0.373E-02 0.141E-01 RMM: 8 -0.330378625215E+03 0.13095E-03 -0.64772E-05 3450 0.238E-02 0.363E-02 RMM: 9 -0.330378629682E+03 -0.44676E-05 -0.17690E-05 2546 0.120E-02 1555 T= 6899. E= 0.69168230E+03 F= 0.63460697E+03 E0= 0.66392257E+03 EK= 0.57075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330341560781E+03 0.37064E-01 -0.19524E-01 8256 0.242E+01 0.361E-01 RMM: 2 -0.330357655105E+03 -0.16094E-01 -0.12280E-01 5007 0.795E-01 0.102E+00 RMM: 3 -0.330350213342E+03 0.74418E-02 -0.12767E-02 5488 0.245E-01 0.286E-01 RMM: 4 -0.330350794464E+03 -0.58112E-03 -0.22292E-03 5205 0.116E-01 0.442E-01 RMM: 5 -0.330349586167E+03 0.12083E-02 -0.10230E-03 4606 0.867E-02 0.175E-01 RMM: 6 -0.330349509239E+03 0.76929E-04 -0.32332E-04 3924 0.462E-02 0.145E-01 RMM: 7 -0.330349491968E+03 0.17270E-04 -0.14668E-04 3884 0.353E-02 1556 T= 6654. E= 0.68929766E+03 F= 0.63425071E+03 E0= 0.66355635E+03 EK= 0.55047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330156222522E+03 0.19329E+00 -0.19423E-01 8340 0.235E+01 0.422E-01 RMM: 2 -0.330169886540E+03 -0.13664E-01 -0.12523E-01 5052 0.799E-01 0.874E-01 RMM: 3 -0.330164492962E+03 0.53936E-02 -0.12622E-02 5515 0.240E-01 0.341E-01 RMM: 4 -0.330165629977E+03 -0.11370E-02 -0.27532E-03 5280 0.131E-01 0.568E-01 RMM: 5 -0.330163551591E+03 0.20784E-02 -0.13392E-03 4612 0.993E-02 0.163E-01 RMM: 6 -0.330163549848E+03 0.17424E-05 -0.34439E-04 4000 0.473E-02 0.171E-01 RMM: 7 -0.330163446219E+03 0.10363E-03 -0.15695E-04 3881 0.370E-02 0.130E-01 RMM: 8 -0.330163337203E+03 0.10902E-03 -0.67887E-05 3464 0.239E-02 0.410E-02 RMM: 9 -0.330163351317E+03 -0.14114E-04 -0.30191E-05 2871 0.154E-02 1557 T= 6324. E= 0.68635848E+03 F= 0.63404350E+03 E0= 0.66333194E+03 EK= 0.52315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329852071522E+03 0.31127E+00 -0.18288E-01 8592 0.228E+01 0.349E-01 RMM: 2 -0.329865405052E+03 -0.13334E-01 -0.11710E-01 5185 0.749E-01 0.828E-01 RMM: 3 -0.329859967491E+03 0.54376E-02 -0.10709E-02 5477 0.224E-01 0.274E-01 RMM: 4 -0.329860800666E+03 -0.83318E-03 -0.20902E-03 5167 0.113E-01 0.466E-01 RMM: 5 -0.329859406844E+03 0.13938E-02 -0.87289E-04 4612 0.804E-02 0.132E-01 RMM: 6 -0.329859337920E+03 0.68924E-04 -0.18404E-04 3880 0.349E-02 0.929E-02 RMM: 7 -0.329859352708E+03 -0.14788E-04 -0.70623E-05 3512 0.242E-02 1558 T= 6031. E= 0.68383856E+03 F= 0.63394535E+03 E0= 0.66321191E+03 EK= 0.49893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329484815366E+03 0.37452E+00 -0.17513E-01 8580 0.223E+01 0.441E-01 RMM: 2 -0.329496035482E+03 -0.11220E-01 -0.11570E-01 5334 0.736E-01 0.775E-01 RMM: 3 -0.329491749820E+03 0.42857E-02 -0.10084E-02 5493 0.216E-01 0.389E-01 RMM: 4 -0.329492929938E+03 -0.11801E-02 -0.26117E-03 5219 0.128E-01 0.601E-01 RMM: 5 -0.329490528292E+03 0.24016E-02 -0.13330E-03 4624 0.990E-02 0.136E-01 RMM: 6 -0.329490574437E+03 -0.46145E-04 -0.28036E-04 3912 0.423E-02 0.168E-01 RMM: 7 -0.329490442681E+03 0.13176E-03 -0.12577E-04 3880 0.333E-02 0.109E-01 RMM: 8 -0.329490365110E+03 0.77571E-04 -0.50639E-05 3298 0.205E-02 0.375E-02 RMM: 9 -0.329490382674E+03 -0.17564E-04 -0.25643E-05 2679 0.144E-02 1559 T= 5868. E= 0.68245405E+03 F= 0.63390592E+03 E0= 0.66314663E+03 EK= 0.48548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329099355492E+03 0.39101E+00 -0.17466E-01 8844 0.221E+01 0.357E-01 RMM: 2 -0.329111255802E+03 -0.11900E-01 -0.10889E-01 5361 0.697E-01 0.785E-01 RMM: 3 -0.329106251612E+03 0.50042E-02 -0.88094E-03 5470 0.205E-01 0.290E-01 RMM: 4 -0.329107119357E+03 -0.86775E-03 -0.19231E-03 5044 0.109E-01 0.474E-01 RMM: 5 -0.329105647610E+03 0.14717E-02 -0.81793E-04 4609 0.776E-02 0.140E-01 RMM: 6 -0.329105560376E+03 0.87235E-04 -0.21173E-04 3893 0.375E-02 0.925E-02 RMM: 7 -0.329105570608E+03 -0.10232E-04 -0.71241E-05 3537 0.251E-02 1560 T= 5882. E= 0.68254150E+03 F= 0.63388126E+03 E0= 0.66309274E+03 EK= 0.48660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328729489158E+03 0.37607E+00 -0.18213E-01 8988 0.223E+01 0.402E-01 RMM: 2 -0.328740054072E+03 -0.10565E-01 -0.10984E-01 5606 0.690E-01 0.695E-01 RMM: 3 -0.328736277162E+03 0.37769E-02 -0.81086E-03 5448 0.195E-01 0.362E-01 RMM: 4 -0.328737268210E+03 -0.99105E-03 -0.22401E-03 5048 0.119E-01 0.545E-01 RMM: 5 -0.328735246147E+03 0.20221E-02 -0.12018E-03 4611 0.938E-02 0.131E-01 RMM: 6 -0.328735292861E+03 -0.46714E-04 -0.31054E-04 3924 0.452E-02 0.164E-01 RMM: 7 -0.328735182794E+03 0.11007E-03 -0.13098E-04 3879 0.348E-02 0.113E-01 RMM: 8 -0.328735098082E+03 0.84712E-04 -0.49084E-05 3257 0.203E-02 0.397E-02 RMM: 9 -0.328735109267E+03 -0.11186E-04 -0.24916E-05 2682 0.144E-02 1561 T= 6071. E= 0.68407334E+03 F= 0.63384721E+03 E0= 0.66302608E+03 EK= 0.50226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328377245434E+03 0.35785E+00 -0.19843E-01 8928 0.228E+01 0.309E-01 RMM: 2 -0.328390334415E+03 -0.13089E-01 -0.12295E-01 5380 0.743E-01 0.700E-01 RMM: 3 -0.328385982231E+03 0.43522E-02 -0.96757E-03 5657 0.200E-01 0.251E-01 RMM: 4 -0.328386419503E+03 -0.43727E-03 -0.16796E-03 4927 0.103E-01 0.390E-01 RMM: 5 -0.328385473523E+03 0.94598E-03 -0.76102E-04 4609 0.753E-02 0.149E-01 RMM: 6 -0.328385384598E+03 0.88925E-04 -0.22012E-04 3905 0.385E-02 0.103E-01 RMM: 7 -0.328385389676E+03 -0.50779E-05 -0.89517E-05 3729 0.284E-02 1562 T= 6388. E= 0.68664731E+03 F= 0.63380214E+03 E0= 0.66294419E+03 EK= 0.52845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328032280576E+03 0.35310E+00 -0.20819E-01 8976 0.235E+01 0.373E-01 RMM: 2 -0.328045180584E+03 -0.12900E-01 -0.12071E-01 5590 0.724E-01 0.787E-01 RMM: 3 -0.328040185695E+03 0.49949E-02 -0.83414E-03 5692 0.189E-01 0.295E-01 RMM: 4 -0.328040918277E+03 -0.73258E-03 -0.21446E-03 4902 0.117E-01 0.480E-01 RMM: 5 -0.328039428842E+03 0.14894E-02 -0.12393E-03 4613 0.961E-02 0.145E-01 RMM: 6 -0.328039501960E+03 -0.73118E-04 -0.30870E-04 3911 0.451E-02 0.186E-01 RMM: 7 -0.328039320280E+03 0.18168E-03 -0.18204E-04 3883 0.421E-02 0.106E-01 RMM: 8 -0.328039249327E+03 0.70953E-04 -0.54204E-05 3332 0.218E-02 0.416E-02 RMM: 9 -0.328039263407E+03 -0.14080E-04 -0.24312E-05 2604 0.143E-02 1563 T= 6733. E= 0.68946505E+03 F= 0.63376507E+03 E0= 0.66286589E+03 EK= 0.55700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327655942619E+03 0.38331E+00 -0.22257E-01 8904 0.241E+01 0.289E-01 RMM: 2 -0.327670911268E+03 -0.14969E-01 -0.13173E-01 5456 0.767E-01 0.797E-01 RMM: 3 -0.327665577028E+03 0.53342E-02 -0.10003E-02 5890 0.197E-01 0.229E-01 RMM: 4 -0.327665672835E+03 -0.95807E-04 -0.13201E-03 4726 0.897E-02 0.309E-01 RMM: 5 -0.327665123545E+03 0.54929E-03 -0.67959E-04 4593 0.718E-02 0.163E-01 RMM: 6 -0.327665021864E+03 0.10168E-03 -0.26801E-04 3910 0.428E-02 0.113E-01 RMM: 7 -0.327665026379E+03 -0.45151E-05 -0.98120E-05 3796 0.303E-02 1564 T= 6976. E= 0.69147672E+03 F= 0.63376611E+03 E0= 0.66282021E+03 EK= 0.57711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327231501236E+03 0.43352E+00 -0.22534E-01 8988 0.245E+01 0.386E-01 RMM: 2 -0.327245046651E+03 -0.13545E-01 -0.12987E-01 5682 0.747E-01 0.783E-01 RMM: 3 -0.327239965260E+03 0.50814E-02 -0.84763E-03 5644 0.191E-01 0.308E-01 RMM: 4 -0.327240795626E+03 -0.83037E-03 -0.22114E-03 4906 0.119E-01 0.504E-01 RMM: 5 -0.327239154551E+03 0.16411E-02 -0.12206E-03 4608 0.941E-02 0.147E-01 RMM: 6 -0.327239223727E+03 -0.69176E-04 -0.33814E-04 3926 0.476E-02 0.184E-01 RMM: 7 -0.327239082034E+03 0.14169E-03 -0.17550E-04 3877 0.405E-02 0.129E-01 RMM: 8 -0.327238976422E+03 0.10561E-03 -0.61803E-05 3403 0.228E-02 0.438E-02 RMM: 9 -0.327238985215E+03 -0.87927E-05 -0.29268E-05 2846 0.156E-02 1565 T= 7012. E= 0.69183026E+03 F= 0.63382457E+03 E0= 0.66282873E+03 EK= 0.58006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326761223290E+03 0.47775E+00 -0.22442E-01 8676 0.245E+01 0.351E-01 RMM: 2 -0.326781661504E+03 -0.20438E-01 -0.14816E-01 5304 0.846E-01 0.115E+00 RMM: 3 -0.326771996509E+03 0.96650E-02 -0.13608E-02 5784 0.235E-01 0.250E-01 RMM: 4 -0.326772243646E+03 -0.24714E-03 -0.19111E-03 4904 0.106E-01 0.362E-01 RMM: 5 -0.326771545909E+03 0.69774E-03 -0.70522E-04 4584 0.697E-02 0.202E-01 RMM: 6 -0.326771306319E+03 0.23959E-03 -0.26369E-04 3910 0.427E-02 0.828E-02 RMM: 7 -0.326771393735E+03 -0.87416E-04 -0.10402E-04 3765 0.284E-02 0.144E-01 RMM: 8 -0.326771253141E+03 0.14059E-03 -0.50002E-05 3301 0.216E-02 0.295E-02 RMM: 9 -0.326771252236E+03 0.90492E-06 -0.11149E-05 2502 0.939E-03 1566 T= 6826. E= 0.69039171E+03 F= 0.63392477E+03 E0= 0.66287814E+03 EK= 0.56467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326305785866E+03 0.46547E+00 -0.21118E-01 8676 0.241E+01 0.414E-01 RMM: 2 -0.326323330504E+03 -0.17545E-01 -0.14050E-01 5476 0.810E-01 0.105E+00 RMM: 3 -0.326315104444E+03 0.82261E-02 -0.11587E-02 5549 0.226E-01 0.280E-01 RMM: 4 -0.326316189017E+03 -0.10846E-02 -0.25568E-03 5223 0.125E-01 0.517E-01 RMM: 5 -0.326314495985E+03 0.16930E-02 -0.10705E-03 4613 0.872E-02 0.172E-01 RMM: 6 -0.326314364256E+03 0.13173E-03 -0.27166E-04 3923 0.425E-02 0.114E-01 RMM: 7 -0.326314408448E+03 -0.44192E-04 -0.12910E-04 3871 0.317E-02 0.148E-01 RMM: 8 -0.326314261524E+03 0.14692E-03 -0.68133E-05 3499 0.242E-02 0.385E-02 RMM: 9 -0.326314263893E+03 -0.23689E-05 -0.20280E-05 2586 0.128E-02 1567 T= 6506. E= 0.68782945E+03 F= 0.63400946E+03 E0= 0.66291542E+03 EK= 0.53820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325938873090E+03 0.37539E+00 -0.18981E-01 8112 0.236E+01 0.448E-01 RMM: 2 -0.325964663822E+03 -0.25791E-01 -0.13686E-01 5305 0.835E-01 0.156E+00 RMM: 3 -0.325947506594E+03 0.17157E-01 -0.15273E-02 5512 0.267E-01 0.303E-01 RMM: 4 -0.325948471768E+03 -0.96517E-03 -0.30544E-03 5309 0.131E-01 0.504E-01 RMM: 5 -0.325947010567E+03 0.14612E-02 -0.98434E-04 4600 0.820E-02 0.235E-01 RMM: 6 -0.325946671159E+03 0.33941E-03 -0.29152E-04 3895 0.443E-02 0.853E-02 RMM: 7 -0.325946762597E+03 -0.91438E-04 -0.14410E-04 3881 0.323E-02 0.148E-01 RMM: 8 -0.325946614838E+03 0.14776E-03 -0.69243E-05 3494 0.248E-02 0.449E-02 RMM: 9 -0.325946607303E+03 0.75358E-05 -0.19561E-05 2559 0.128E-02 1568 T= 6185. E= 0.68516575E+03 F= 0.63399765E+03 E0= 0.66286265E+03 EK= 0.51168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325731272055E+03 0.21534E+00 -0.17026E-01 7788 0.232E+01 0.427E-01 RMM: 2 -0.325749927669E+03 -0.18656E-01 -0.11328E-01 5248 0.763E-01 0.130E+00 RMM: 3 -0.325738148576E+03 0.11779E-01 -0.12484E-02 5434 0.245E-01 0.289E-01 RMM: 4 -0.325739279692E+03 -0.11311E-02 -0.28507E-03 5271 0.129E-01 0.518E-01 RMM: 5 -0.325737672439E+03 0.16073E-02 -0.10355E-03 4611 0.853E-02 0.207E-01 RMM: 6 -0.325737409941E+03 0.26250E-03 -0.27340E-04 3921 0.431E-02 0.870E-02 RMM: 7 -0.325737488385E+03 -0.78444E-04 -0.12743E-04 3871 0.308E-02 0.145E-01 RMM: 8 -0.325737348712E+03 0.13967E-03 -0.65205E-05 3475 0.240E-02 0.432E-02 RMM: 9 -0.325737343361E+03 0.53510E-05 -0.18313E-05 2557 0.124E-02 1569 T= 5976. E= 0.68326039E+03 F= 0.63382108E+03 E0= 0.66265456E+03 EK= 0.49439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325708746473E+03 0.28602E-01 -0.16084E-01 7764 0.231E+01 0.417E-01 RMM: 2 -0.325729872518E+03 -0.21126E-01 -0.92922E-02 5193 0.718E-01 0.151E+00 RMM: 3 -0.325714025928E+03 0.15847E-01 -0.11657E-02 5421 0.247E-01 0.296E-01 RMM: 4 -0.325714796610E+03 -0.77068E-03 -0.26371E-03 5227 0.122E-01 0.465E-01 RMM: 5 -0.325713682865E+03 0.11137E-02 -0.95330E-04 4588 0.827E-02 0.250E-01 RMM: 6 -0.325713277296E+03 0.40557E-03 -0.29907E-04 3889 0.452E-02 0.751E-02 RMM: 7 -0.325713339080E+03 -0.61784E-04 -0.12448E-04 3859 0.317E-02 0.129E-01 RMM: 8 -0.325713226722E+03 0.11236E-03 -0.54563E-05 3362 0.224E-02 0.342E-02 RMM: 9 -0.325713225862E+03 0.85963E-06 -0.16028E-05 2520 0.118E-02 1570 T= 5938. E= 0.68258035E+03 F= 0.63345657E+03 E0= 0.66226943E+03 EK= 0.49124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325838492687E+03 -0.12527E+00 -0.16589E-01 7884 0.234E+01 0.367E-01 RMM: 2 -0.325853396590E+03 -0.14904E-01 -0.92313E-02 5108 0.722E-01 0.115E+00 RMM: 3 -0.325844480627E+03 0.89160E-02 -0.10746E-02 5447 0.226E-01 0.269E-01 RMM: 4 -0.325844908220E+03 -0.42759E-03 -0.20626E-03 4988 0.110E-01 0.396E-01 RMM: 5 -0.325844075261E+03 0.83296E-03 -0.94340E-04 4608 0.834E-02 0.212E-01 RMM: 6 -0.325843826301E+03 0.24896E-03 -0.30429E-04 3898 0.459E-02 0.104E-01 RMM: 7 -0.325843862088E+03 -0.35787E-04 -0.13695E-04 3872 0.347E-02 0.135E-01 RMM: 8 -0.325843741893E+03 0.12020E-03 -0.60912E-05 3453 0.235E-02 0.388E-02 RMM: 9 -0.325843738486E+03 0.34068E-05 -0.14322E-05 2518 0.113E-02 1571 T= 6075. E= 0.68319453E+03 F= 0.63293959E+03 E0= 0.66174352E+03 EK= 0.50255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326038472655E+03 -0.19473E+00 -0.17929E-01 7788 0.239E+01 0.343E-01 RMM: 2 -0.326057136868E+03 -0.18664E-01 -0.11901E-01 5078 0.800E-01 0.119E+00 RMM: 3 -0.326047175089E+03 0.99618E-02 -0.12900E-02 5538 0.234E-01 0.263E-01 RMM: 4 -0.326047332866E+03 -0.15778E-03 -0.18658E-03 4933 0.105E-01 0.354E-01 RMM: 5 -0.326046659185E+03 0.67368E-03 -0.98176E-04 4604 0.861E-02 0.197E-01 RMM: 6 -0.326046514780E+03 0.14441E-03 -0.37460E-04 4026 0.501E-02 0.141E-01 RMM: 7 -0.326046483789E+03 0.30991E-04 -0.16664E-04 3879 0.394E-02 0.134E-01 RMM: 8 -0.326046364944E+03 0.11884E-03 -0.59443E-05 3421 0.232E-02 0.354E-02 RMM: 9 -0.326046367623E+03 -0.26795E-05 -0.17972E-05 2544 0.126E-02 1572 T= 6339. E= 0.68479764E+03 F= 0.63235700E+03 E0= 0.66116330E+03 EK= 0.52441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326199217582E+03 -0.15285E+00 -0.19253E-01 8364 0.245E+01 0.328E-01 RMM: 2 -0.326218574583E+03 -0.19357E-01 -0.12312E-01 5219 0.815E-01 0.120E+00 RMM: 3 -0.326208478212E+03 0.10096E-01 -0.12788E-02 5589 0.232E-01 0.269E-01 RMM: 4 -0.326208201368E+03 0.27684E-03 -0.15717E-03 4793 0.952E-02 0.262E-01 RMM: 5 -0.326207815972E+03 0.38540E-03 -0.94439E-04 4608 0.868E-02 0.176E-01 RMM: 6 -0.326207811403E+03 0.45692E-05 -0.36943E-04 4102 0.501E-02 0.175E-01 RMM: 7 -0.326207705151E+03 0.10625E-03 -0.17191E-04 3875 0.397E-02 0.134E-01 RMM: 8 -0.326207591572E+03 0.11358E-03 -0.57401E-05 3400 0.226E-02 0.393E-02 RMM: 9 -0.326207592293E+03 -0.72131E-06 -0.16338E-05 2530 0.118E-02 1573 T= 6637. E= 0.68672704E+03 F= 0.63182448E+03 E0= 0.66064277E+03 EK= 0.54903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326205815539E+03 0.17760E-02 -0.20711E-01 8568 0.251E+01 0.317E-01 RMM: 2 -0.326223504291E+03 -0.17689E-01 -0.13440E-01 5179 0.836E-01 0.102E+00 RMM: 3 -0.326216074535E+03 0.74298E-02 -0.13174E-02 5683 0.232E-01 0.261E-01 RMM: 4 -0.326215883748E+03 0.19079E-03 -0.14430E-03 4811 0.924E-02 0.281E-01 RMM: 5 -0.326215426303E+03 0.45745E-03 -0.88968E-04 4608 0.833E-02 0.179E-01 RMM: 6 -0.326215433122E+03 -0.68200E-05 -0.42832E-04 4315 0.533E-02 0.185E-01 RMM: 7 -0.326215326503E+03 0.10662E-03 -0.19140E-04 3884 0.411E-02 0.142E-01 RMM: 8 -0.326215192954E+03 0.13355E-03 -0.64100E-05 3462 0.241E-02 0.396E-02 RMM: 9 -0.326215194785E+03 -0.18308E-05 -0.22342E-05 2574 0.139E-02 1574 T= 6849. E= 0.68811100E+03 F= 0.63145356E+03 E0= 0.66029016E+03 EK= 0.56657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325986974591E+03 0.22822E+00 -0.22250E-01 8568 0.253E+01 0.321E-01 RMM: 2 -0.326006773518E+03 -0.19799E-01 -0.14149E-01 5135 0.851E-01 0.109E+00 RMM: 3 -0.325997762102E+03 0.90114E-02 -0.13721E-02 5704 0.237E-01 0.244E-01 RMM: 4 -0.325997668582E+03 0.93520E-04 -0.16418E-03 4942 0.100E-01 0.301E-01 RMM: 5 -0.325997116922E+03 0.55166E-03 -0.91706E-04 4608 0.846E-02 0.157E-01 RMM: 6 -0.325997192070E+03 -0.75147E-04 -0.33641E-04 3924 0.475E-02 0.189E-01 RMM: 7 -0.325997029863E+03 0.16221E-03 -0.16736E-04 3884 0.399E-02 0.122E-01 RMM: 8 -0.325996935315E+03 0.94548E-04 -0.48607E-05 3261 0.207E-02 0.399E-02 RMM: 9 -0.325996936405E+03 -0.10903E-05 -0.17226E-05 2530 0.120E-02 1575 T= 6882. E= 0.68824722E+03 F= 0.63131338E+03 E0= 0.66017064E+03 EK= 0.56934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325538992570E+03 0.45794E+00 -0.22656E-01 8580 0.251E+01 0.331E-01 RMM: 2 -0.325555353890E+03 -0.16361E-01 -0.13833E-01 5170 0.815E-01 0.881E-01 RMM: 3 -0.325549069426E+03 0.62845E-02 -0.12266E-02 5561 0.231E-01 0.255E-01 RMM: 4 -0.325549482251E+03 -0.41283E-03 -0.18799E-03 5054 0.109E-01 0.396E-01 RMM: 5 -0.325548509120E+03 0.97313E-03 -0.84917E-04 4608 0.789E-02 0.159E-01 RMM: 6 -0.325548475434E+03 0.33686E-04 -0.30291E-04 3921 0.450E-02 0.150E-01 RMM: 7 -0.325548428322E+03 0.47112E-04 -0.14290E-04 3880 0.365E-02 0.130E-01 RMM: 8 -0.325548313871E+03 0.11445E-03 -0.52368E-05 3313 0.216E-02 0.349E-02 RMM: 9 -0.325548316487E+03 -0.26162E-05 -0.15988E-05 2531 0.115E-02 1576 T= 6723. E= 0.68702214E+03 F= 0.63140428E+03 E0= 0.66027955E+03 EK= 0.55618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324922859298E+03 0.62545E+00 -0.23370E-01 8256 0.245E+01 0.358E-01 RMM: 2 -0.324941371173E+03 -0.18512E-01 -0.15132E-01 5215 0.851E-01 0.967E-01 RMM: 3 -0.324933922564E+03 0.74486E-02 -0.14655E-02 5630 0.241E-01 0.241E-01 RMM: 4 -0.324934617453E+03 -0.69489E-03 -0.22438E-03 5181 0.119E-01 0.450E-01 RMM: 5 -0.324933355446E+03 0.12620E-02 -0.93758E-04 4610 0.829E-02 0.154E-01 RMM: 6 -0.324933287368E+03 0.68077E-04 -0.23960E-04 3891 0.401E-02 0.123E-01 RMM: 7 -0.324933263736E+03 0.23632E-04 -0.10122E-04 3824 0.302E-02 0.116E-01 RMM: 8 -0.324933173661E+03 0.90075E-04 -0.40069E-05 3154 0.192E-02 0.333E-02 RMM: 9 -0.324933175250E+03 -0.15889E-05 -0.14311E-05 2512 0.107E-02 1577 T= 6446. E= 0.68498215E+03 F= 0.63165894E+03 E0= 0.66054642E+03 EK= 0.53323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324247483769E+03 0.68569E+00 -0.22812E-01 8604 0.239E+01 0.382E-01 RMM: 2 -0.324264224269E+03 -0.16741E-01 -0.13472E-01 5333 0.787E-01 0.991E-01 RMM: 3 -0.324256301077E+03 0.79232E-02 -0.11502E-02 5422 0.239E-01 0.277E-01 RMM: 4 -0.324257365319E+03 -0.10642E-02 -0.23153E-03 5217 0.119E-01 0.498E-01 RMM: 5 -0.324255761799E+03 0.16035E-02 -0.86678E-04 4613 0.791E-02 0.155E-01 RMM: 6 -0.324255652504E+03 0.10930E-03 -0.22045E-04 3892 0.382E-02 0.102E-01 RMM: 7 -0.324255680072E+03 -0.27568E-04 -0.10581E-04 3848 0.294E-02 0.127E-01 RMM: 8 -0.324255569904E+03 0.11017E-03 -0.49566E-05 3284 0.211E-02 0.299E-02 RMM: 9 -0.324255574097E+03 -0.41925E-05 -0.16124E-05 2528 0.115E-02 1578 T= 6166. E= 0.68298261E+03 F= 0.63197187E+03 E0= 0.66086285E+03 EK= 0.51011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323614282715E+03 0.64129E+00 -0.23817E-01 8448 0.233E+01 0.389E-01 RMM: 2 -0.323632707217E+03 -0.18425E-01 -0.14989E-01 5314 0.837E-01 0.102E+00 RMM: 3 -0.323624511513E+03 0.81957E-02 -0.12729E-02 5595 0.233E-01 0.275E-01 RMM: 4 -0.323625458556E+03 -0.94704E-03 -0.24579E-03 5194 0.121E-01 0.496E-01 RMM: 5 -0.323623909578E+03 0.15490E-02 -0.98114E-04 4601 0.848E-02 0.166E-01 RMM: 6 -0.323623766665E+03 0.14291E-03 -0.20891E-04 3881 0.376E-02 0.902E-02 RMM: 7 -0.323623790206E+03 -0.23541E-04 -0.85593E-05 3706 0.267E-02 0.115E-01 RMM: 8 -0.323623699200E+03 0.91006E-04 -0.40090E-05 3136 0.194E-02 0.307E-02 RMM: 9 -0.323623701757E+03 -0.25576E-05 -0.14290E-05 2511 0.107E-02 1579 T= 5987. E= 0.68176358E+03 F= 0.63223619E+03 E0= 0.66112138E+03 EK= 0.49527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323118091362E+03 0.50561E+00 -0.21811E-01 8724 0.231E+01 0.380E-01 RMM: 2 -0.323133433421E+03 -0.15342E-01 -0.11740E-01 5283 0.743E-01 0.101E+00 RMM: 3 -0.323125528433E+03 0.79050E-02 -0.10510E-02 5401 0.227E-01 0.275E-01 RMM: 4 -0.323126537033E+03 -0.10086E-02 -0.22711E-03 5154 0.117E-01 0.487E-01 RMM: 5 -0.323125020791E+03 0.15162E-02 -0.82572E-04 4599 0.761E-02 0.162E-01 RMM: 6 -0.323124885384E+03 0.13541E-03 -0.20618E-04 3882 0.372E-02 0.926E-02 RMM: 7 -0.323124928537E+03 -0.43154E-04 -0.99819E-05 3779 0.281E-02 0.129E-01 RMM: 8 -0.323124815317E+03 0.11322E-03 -0.48809E-05 3262 0.212E-02 0.287E-02 RMM: 9 -0.323124817429E+03 -0.21119E-05 -0.15853E-05 2519 0.114E-02 1580 T= 5968. E= 0.68173551E+03 F= 0.63236819E+03 E0= 0.66123799E+03 EK= 0.49367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322804987361E+03 0.31983E+00 -0.20860E-01 8880 0.231E+01 0.344E-01 RMM: 2 -0.322817796420E+03 -0.12809E-01 -0.10542E-01 5406 0.696E-01 0.865E-01 RMM: 3 -0.322811835898E+03 0.59605E-02 -0.82176E-03 5493 0.194E-01 0.260E-01 RMM: 4 -0.322812596575E+03 -0.76068E-03 -0.19140E-03 4920 0.109E-01 0.446E-01 RMM: 5 -0.322811295472E+03 0.13011E-02 -0.83439E-04 4594 0.779E-02 0.130E-01 RMM: 6 -0.322811260381E+03 0.35091E-04 -0.19541E-04 3880 0.360E-02 0.114E-01 RMM: 7 -0.322811235592E+03 0.24789E-04 -0.82918E-05 3668 0.274E-02 0.106E-01 RMM: 8 -0.322811160711E+03 0.74881E-04 -0.33922E-05 3070 0.177E-02 0.269E-02 RMM: 9 -0.322811164169E+03 -0.34584E-05 -0.12175E-05 2494 0.985E-03 1581 T= 6119. E= 0.68294167E+03 F= 0.63232013E+03 E0= 0.66116516E+03 EK= 0.50622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322688415504E+03 0.12275E+00 -0.21201E-01 8832 0.234E+01 0.334E-01 RMM: 2 -0.322703092301E+03 -0.14677E-01 -0.11442E-01 5188 0.750E-01 0.940E-01 RMM: 3 -0.322696386704E+03 0.67056E-02 -0.10611E-02 5583 0.217E-01 0.234E-01 RMM: 4 -0.322696867620E+03 -0.48092E-03 -0.17270E-03 4919 0.102E-01 0.388E-01 RMM: 5 -0.322695939189E+03 0.92843E-03 -0.74923E-04 4608 0.740E-02 0.159E-01 RMM: 6 -0.322695833251E+03 0.10594E-03 -0.24083E-04 3896 0.404E-02 0.106E-01 RMM: 7 -0.322695839769E+03 -0.65184E-05 -0.96620E-05 3782 0.298E-02 1582 T= 6402. E= 0.68504666E+03 F= 0.63208257E+03 E0= 0.66089392E+03 EK= 0.52964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322743357188E+03 -0.47524E-01 -0.21740E-01 8772 0.239E+01 0.334E-01 RMM: 2 -0.322755625112E+03 -0.12268E-01 -0.11462E-01 5304 0.742E-01 0.728E-01 RMM: 3 -0.322751470780E+03 0.41543E-02 -0.95862E-03 5810 0.195E-01 0.259E-01 RMM: 4 -0.322751916596E+03 -0.44582E-03 -0.16731E-03 4843 0.104E-01 0.413E-01 RMM: 5 -0.322750775538E+03 0.11411E-02 -0.94229E-04 4601 0.831E-02 0.120E-01 RMM: 6 -0.322750927340E+03 -0.15180E-03 -0.32118E-04 3911 0.469E-02 0.195E-01 RMM: 7 -0.322750722479E+03 0.20486E-03 -0.14055E-04 3876 0.373E-02 0.103E-01 RMM: 8 -0.322750654729E+03 0.67750E-04 -0.41359E-05 3148 0.187E-02 0.375E-02 RMM: 9 -0.322750662865E+03 -0.81357E-05 -0.25925E-05 2636 0.149E-02 1583 T= 6726. E= 0.68732680E+03 F= 0.63168509E+03 E0= 0.66045371E+03 EK= 0.55642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322904640132E+03 -0.15399E+00 -0.22633E-01 8736 0.243E+01 0.263E-01 RMM: 2 -0.322919401183E+03 -0.14761E-01 -0.12066E-01 5154 0.775E-01 0.838E-01 RMM: 3 -0.322914000697E+03 0.54005E-02 -0.11291E-02 5896 0.208E-01 0.189E-01 RMM: 4 -0.322914018282E+03 -0.17585E-04 -0.10808E-03 4733 0.815E-02 0.273E-01 RMM: 5 -0.322913546220E+03 0.47206E-03 -0.54458E-04 4601 0.649E-02 0.125E-01 RMM: 6 -0.322913554532E+03 -0.83115E-05 -0.25124E-04 3902 0.414E-02 0.131E-01 RMM: 7 -0.322913504964E+03 0.49568E-04 -0.90026E-05 3654 0.291E-02 0.105E-01 RMM: 8 -0.322913428878E+03 0.76086E-04 -0.31206E-05 2991 0.172E-02 0.225E-02 RMM: 9 -0.322913429287E+03 -0.40825E-06 -0.92375E-06 2471 0.876E-03 1584 T= 6964. E= 0.68880300E+03 F= 0.63118846E+03 E0= 0.65990568E+03 EK= 0.57615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323095577160E+03 -0.18215E+00 -0.23004E-01 8472 0.246E+01 0.315E-01 RMM: 2 -0.323109216164E+03 -0.13639E-01 -0.13030E-01 5143 0.804E-01 0.698E-01 RMM: 3 -0.323105378525E+03 0.38376E-02 -0.12439E-02 6041 0.209E-01 0.225E-01 RMM: 4 -0.323105601176E+03 -0.22265E-03 -0.15664E-03 4946 0.102E-01 0.370E-01 RMM: 5 -0.323104723754E+03 0.87742E-03 -0.80976E-04 4606 0.766E-02 0.139E-01 RMM: 6 -0.323104786443E+03 -0.62689E-04 -0.31658E-04 3914 0.461E-02 0.173E-01 RMM: 7 -0.323104640967E+03 0.14548E-03 -0.13541E-04 3874 0.365E-02 0.102E-01 RMM: 8 -0.323104571813E+03 0.69154E-04 -0.34244E-05 3039 0.175E-02 0.339E-02 RMM: 9 -0.323104577136E+03 -0.53225E-05 -0.20355E-05 2532 0.131E-02 1585 T= 7010. E= 0.68865824E+03 F= 0.63066842E+03 E0= 0.65932826E+03 EK= 0.57990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323244421569E+03 -0.13985E+00 -0.22520E-01 8208 0.244E+01 0.303E-01 RMM: 2 -0.323261540942E+03 -0.17119E-01 -0.14009E-01 4972 0.848E-01 0.913E-01 RMM: 3 -0.323255311333E+03 0.62296E-02 -0.14734E-02 5956 0.231E-01 0.206E-01 RMM: 4 -0.323255517372E+03 -0.20604E-03 -0.14657E-03 5003 0.966E-02 0.349E-01 RMM: 5 -0.323254722005E+03 0.79537E-03 -0.67248E-04 4599 0.702E-02 0.126E-01 RMM: 6 -0.323254758584E+03 -0.36579E-04 -0.26073E-04 3895 0.416E-02 0.149E-01 RMM: 7 -0.323254675597E+03 0.82987E-04 -0.10355E-04 3771 0.308E-02 0.109E-01 RMM: 8 -0.323254595081E+03 0.80516E-04 -0.39469E-05 3131 0.187E-02 0.279E-02 RMM: 9 -0.323254599090E+03 -0.40094E-05 -0.14743E-05 2507 0.111E-02 1586 T= 6836. E= 0.68674297E+03 F= 0.63018958E+03 E0= 0.65878799E+03 EK= 0.56553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323317489418E+03 -0.62894E-01 -0.21087E-01 8076 0.240E+01 0.328E-01 RMM: 2 -0.323330923725E+03 -0.13434E-01 -0.12750E-01 5066 0.801E-01 0.723E-01 RMM: 3 -0.323326890781E+03 0.40329E-02 -0.12921E-02 5997 0.218E-01 0.228E-01 RMM: 4 -0.323327297584E+03 -0.40680E-03 -0.16527E-03 5019 0.104E-01 0.398E-01 RMM: 5 -0.323326265648E+03 0.10319E-02 -0.72798E-04 4606 0.715E-02 0.129E-01 RMM: 6 -0.323326270526E+03 -0.48773E-05 -0.23812E-04 3910 0.397E-02 0.137E-01 RMM: 7 -0.323326205522E+03 0.65004E-04 -0.92733E-05 3822 0.296E-02 0.104E-01 RMM: 8 -0.323326129104E+03 0.76418E-04 -0.31632E-05 2987 0.170E-02 0.271E-02 RMM: 9 -0.323326135320E+03 -0.62158E-05 -0.16294E-05 2514 0.114E-02 1587 T= 6517. E= 0.68369881E+03 F= 0.62978502E+03 E0= 0.65832264E+03 EK= 0.53914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323306109040E+03 0.20020E-01 -0.20466E-01 7884 0.233E+01 0.344E-01 RMM: 2 -0.323322815971E+03 -0.16707E-01 -0.14810E-01 4905 0.869E-01 0.853E-01 RMM: 3 -0.323317361039E+03 0.54549E-02 -0.15873E-02 5914 0.236E-01 0.239E-01 RMM: 4 -0.323317930691E+03 -0.56965E-03 -0.18873E-03 5147 0.109E-01 0.436E-01 RMM: 5 -0.323316673730E+03 0.12570E-02 -0.77453E-04 4606 0.746E-02 0.132E-01 RMM: 6 -0.323316628675E+03 0.45055E-04 -0.20716E-04 3885 0.368E-02 0.112E-01 RMM: 7 -0.323316611644E+03 0.17032E-04 -0.85959E-05 3639 0.269E-02 1588 T= 6178. E= 0.68056180E+03 F= 0.62945511E+03 E0= 0.65793637E+03 EK= 0.51107E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323239103608E+03 0.77525E-01 -0.18538E-01 7884 0.228E+01 0.372E-01 RMM: 2 -0.323250150064E+03 -0.11046E-01 -0.11827E-01 4988 0.784E-01 0.625E-01 RMM: 3 -0.323247584441E+03 0.25656E-02 -0.12671E-02 5849 0.220E-01 0.314E-01 RMM: 4 -0.323248214345E+03 -0.62990E-03 -0.17196E-03 5021 0.102E-01 0.483E-01 RMM: 5 -0.323246612897E+03 0.16014E-02 -0.89821E-04 4604 0.791E-02 0.103E-01 RMM: 6 -0.323246705066E+03 -0.92169E-04 -0.24187E-04 3900 0.397E-02 0.163E-01 RMM: 7 -0.323246562216E+03 0.14285E-03 -0.10131E-04 3852 0.306E-02 0.875E-02 RMM: 8 -0.323246510014E+03 0.52203E-04 -0.31477E-05 2966 0.164E-02 0.320E-02 RMM: 9 -0.323246519360E+03 -0.93460E-05 -0.21993E-05 2575 0.136E-02 1589 T= 5931. E= 0.67824918E+03 F= 0.62918015E+03 E0= 0.65761241E+03 EK= 0.49069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323137205641E+03 0.10930E+00 -0.17719E-01 8052 0.225E+01 0.316E-01 RMM: 2 -0.323150203603E+03 -0.12998E-01 -0.11458E-01 4907 0.777E-01 0.797E-01 RMM: 3 -0.323145686570E+03 0.45170E-02 -0.12651E-02 5876 0.216E-01 0.217E-01 RMM: 4 -0.323146247127E+03 -0.56056E-03 -0.15875E-03 4968 0.998E-02 0.407E-01 RMM: 5 -0.323145165665E+03 0.10815E-02 -0.66201E-04 4595 0.691E-02 0.126E-01 RMM: 6 -0.323145091575E+03 0.74090E-04 -0.18268E-04 3894 0.350E-02 0.808E-02 RMM: 7 -0.323145103500E+03 -0.11925E-04 -0.56703E-05 3360 0.224E-02 1590 T= 5847. E= 0.67730630E+03 F= 0.62893442E+03 E0= 0.65732804E+03 EK= 0.48372E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323029542893E+03 0.11555E+00 -0.16937E-01 8028 0.225E+01 0.355E-01 RMM: 2 -0.323039087214E+03 -0.95443E-02 -0.10255E-01 5004 0.731E-01 0.604E-01 RMM: 3 -0.323036786580E+03 0.23006E-02 -0.11265E-02 5808 0.208E-01 0.288E-01 RMM: 4 -0.323037463762E+03 -0.67718E-03 -0.15547E-03 4850 0.975E-02 0.472E-01 RMM: 5 -0.323035938861E+03 0.15249E-02 -0.82438E-04 4601 0.756E-02 0.992E-02 RMM: 6 -0.323036039328E+03 -0.10047E-03 -0.26518E-04 3900 0.414E-02 0.165E-01 RMM: 7 -0.323035870057E+03 0.16927E-03 -0.11563E-04 3849 0.332E-02 0.661E-02 RMM: 8 -0.323035844810E+03 0.25246E-04 -0.21819E-05 2647 0.139E-02 0.364E-02 RMM: 9 -0.323035851043E+03 -0.62327E-05 -0.20284E-05 2535 0.131E-02 1591 T= 5946. E= 0.67789144E+03 F= 0.62869956E+03 E0= 0.65706574E+03 EK= 0.49192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322920064984E+03 0.11578E+00 -0.17888E-01 7920 0.229E+01 0.275E-01 RMM: 2 -0.322932812039E+03 -0.12747E-01 -0.11950E-01 4829 0.805E-01 0.675E-01 RMM: 3 -0.322929497913E+03 0.33141E-02 -0.13540E-02 5997 0.214E-01 0.194E-01 RMM: 4 -0.322929634482E+03 -0.13657E-03 -0.12909E-03 4902 0.925E-02 0.325E-01 RMM: 5 -0.322928974001E+03 0.66048E-03 -0.57061E-04 4580 0.648E-02 0.130E-01 RMM: 6 -0.322928921785E+03 0.52217E-04 -0.20099E-04 3903 0.371E-02 0.103E-01 RMM: 7 -0.322928908086E+03 0.13699E-04 -0.72322E-05 3540 0.257E-02 1592 T= 6205. E= 0.67979985E+03 F= 0.62847033E+03 E0= 0.65682176E+03 EK= 0.51330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322808923009E+03 0.12000E+00 -0.17971E-01 7932 0.235E+01 0.324E-01 RMM: 2 -0.322820418850E+03 -0.11496E-01 -0.11285E-01 5018 0.778E-01 0.674E-01 RMM: 3 -0.322817309741E+03 0.31091E-02 -0.12456E-02 5891 0.212E-01 0.227E-01 RMM: 4 -0.322817691020E+03 -0.38128E-03 -0.14383E-03 4866 0.955E-02 0.396E-01 RMM: 5 -0.322816659923E+03 0.10311E-02 -0.85173E-04 4601 0.790E-02 0.127E-01 RMM: 6 -0.322816732664E+03 -0.72741E-04 -0.32208E-04 3950 0.469E-02 0.170E-01 RMM: 7 -0.322816571611E+03 0.16105E-03 -0.14581E-04 3867 0.376E-02 0.869E-02 RMM: 8 -0.322816525757E+03 0.45853E-04 -0.31866E-05 2976 0.172E-02 0.401E-02 RMM: 9 -0.322816530641E+03 -0.48842E-05 -0.20119E-05 2561 0.129E-02 1593 T= 6550. E= 0.68244053E+03 F= 0.62825750E+03 E0= 0.65660589E+03 EK= 0.54183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322670364607E+03 0.14616E+00 -0.19117E-01 8136 0.241E+01 0.232E-01 RMM: 2 -0.322682816708E+03 -0.12452E-01 -0.11874E-01 5044 0.779E-01 0.599E-01 RMM: 3 -0.322680030600E+03 0.27861E-02 -0.12554E-02 6041 0.200E-01 0.150E-01 RMM: 4 -0.322679999637E+03 0.30964E-04 -0.93069E-04 4745 0.793E-02 0.264E-01 RMM: 5 -0.322679550523E+03 0.44911E-03 -0.42192E-04 4470 0.566E-02 0.912E-02 RMM: 6 -0.322679655059E+03 -0.10454E-03 -0.22084E-04 3882 0.385E-02 0.157E-01 RMM: 7 -0.322679501208E+03 0.15385E-03 -0.93894E-05 3656 0.304E-02 0.529E-02 RMM: 8 -0.322679483865E+03 0.17343E-04 -0.13346E-05 2524 0.111E-02 1594 T= 6864. E= 0.68486380E+03 F= 0.62808049E+03 E0= 0.65643671E+03 EK= 0.56783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322495684877E+03 0.18382E+00 -0.20028E-01 8292 0.245E+01 0.310E-01 RMM: 2 -0.322508745311E+03 -0.13060E-01 -0.10808E-01 5115 0.749E-01 0.838E-01 RMM: 3 -0.322503557850E+03 0.51875E-02 -0.10642E-02 5726 0.210E-01 0.244E-01 RMM: 4 -0.322503663436E+03 -0.10559E-03 -0.14506E-03 4884 0.953E-02 0.327E-01 RMM: 5 -0.322503064415E+03 0.59902E-03 -0.88170E-04 4608 0.821E-02 0.175E-01 RMM: 6 -0.322502961089E+03 0.10333E-03 -0.32641E-04 3947 0.470E-02 0.131E-01 RMM: 7 -0.322502909859E+03 0.51230E-04 -0.14904E-04 3872 0.385E-02 0.109E-01 RMM: 8 -0.322502833323E+03 0.76536E-04 -0.34585E-05 3027 0.185E-02 0.390E-02 RMM: 9 -0.322502833001E+03 0.32209E-06 -0.19410E-05 2541 0.129E-02 1595 T= 7022. E= 0.68604363E+03 F= 0.62795172E+03 E0= 0.65632503E+03 EK= 0.58092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322282385919E+03 0.22045E+00 -0.20375E-01 8160 0.246E+01 0.243E-01 RMM: 2 -0.322293851005E+03 -0.11465E-01 -0.98658E-02 5171 0.708E-01 0.717E-01 RMM: 3 -0.322289807773E+03 0.40432E-02 -0.89026E-03 5830 0.189E-01 0.184E-01 RMM: 4 -0.322289858902E+03 -0.51128E-04 -0.98747E-04 4692 0.794E-02 0.261E-01 RMM: 5 -0.322289403729E+03 0.45517E-03 -0.54963E-04 4594 0.658E-02 0.982E-02 RMM: 6 -0.322289497851E+03 -0.94122E-04 -0.19971E-04 3892 0.369E-02 0.154E-01 RMM: 7 -0.322289359748E+03 0.13810E-03 -0.89327E-05 3771 0.305E-02 0.723E-02 RMM: 8 -0.322289325704E+03 0.34044E-04 -0.19831E-05 2648 0.138E-02 0.262E-02 RMM: 9 -0.322289324988E+03 0.71590E-06 -0.10400E-05 2467 0.963E-03 1596 T= 6956. E= 0.68540929E+03 F= 0.62786421E+03 E0= 0.65626018E+03 EK= 0.57545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322061433250E+03 0.22789E+00 -0.20222E-01 8052 0.244E+01 0.301E-01 RMM: 2 -0.322073067488E+03 -0.11634E-01 -0.10140E-01 5157 0.707E-01 0.755E-01 RMM: 3 -0.322068523717E+03 0.45438E-02 -0.94078E-03 5673 0.199E-01 0.230E-01 RMM: 4 -0.322068864658E+03 -0.34094E-03 -0.15360E-03 4941 0.994E-02 0.353E-01 RMM: 5 -0.322068093902E+03 0.77076E-03 -0.68641E-04 4602 0.704E-02 0.150E-01 RMM: 6 -0.322068001249E+03 0.92653E-04 -0.20335E-04 3889 0.372E-02 0.102E-01 RMM: 7 -0.322068009792E+03 -0.85437E-05 -0.98082E-05 3815 0.296E-02 1597 T= 6700. E= 0.68320883E+03 F= 0.62778453E+03 E0= 0.65620566E+03 EK= 0.55424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321878651005E+03 0.18935E+00 -0.19522E-01 8100 0.240E+01 0.343E-01 RMM: 2 -0.321891277739E+03 -0.12627E-01 -0.11841E-01 4991 0.781E-01 0.740E-01 RMM: 3 -0.321887445063E+03 0.38327E-02 -0.12976E-02 5895 0.215E-01 0.262E-01 RMM: 4 -0.321887902163E+03 -0.45710E-03 -0.18844E-03 5079 0.109E-01 0.426E-01 RMM: 5 -0.321886744377E+03 0.11578E-02 -0.84948E-04 4595 0.784E-02 0.139E-01 RMM: 6 -0.321886705028E+03 0.39348E-04 -0.21096E-04 3897 0.379E-02 0.124E-01 RMM: 7 -0.321886686524E+03 0.18504E-04 -0.11860E-04 3880 0.319E-02 1598 T= 6366. E= 0.68032928E+03 F= 0.62766184E+03 E0= 0.65610800E+03 EK= 0.52667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321787598068E+03 0.99107E-01 -0.19542E-01 7968 0.236E+01 0.327E-01 RMM: 2 -0.321802884127E+03 -0.15286E-01 -0.13393E-01 4910 0.827E-01 0.835E-01 RMM: 3 -0.321797929017E+03 0.49551E-02 -0.14894E-02 5848 0.229E-01 0.247E-01 RMM: 4 -0.321798217146E+03 -0.28813E-03 -0.17924E-03 5090 0.105E-01 0.375E-01 RMM: 5 -0.321797360704E+03 0.85644E-03 -0.67003E-04 4598 0.688E-02 0.168E-01 RMM: 6 -0.321797196880E+03 0.16382E-03 -0.20129E-04 3896 0.374E-02 0.757E-02 RMM: 7 -0.321797247101E+03 -0.50221E-04 -0.81099E-05 3632 0.258E-02 0.120E-01 RMM: 8 -0.321797150724E+03 0.96377E-04 -0.35492E-05 3044 0.188E-02 0.337E-02 RMM: 9 -0.321797147173E+03 0.35508E-05 -0.14164E-05 2498 0.107E-02 1599 T= 6083. E= 0.67776507E+03 F= 0.62744368E+03 E0= 0.65591366E+03 EK= 0.50321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321830079276E+03 -0.32929E-01 -0.18466E-01 7860 0.233E+01 0.316E-01 RMM: 2 -0.321844747026E+03 -0.14668E-01 -0.11218E-01 4925 0.776E-01 0.951E-01 RMM: 3 -0.321838404181E+03 0.63428E-02 -0.12584E-02 5706 0.223E-01 0.206E-01 RMM: 4 -0.321839103368E+03 -0.69919E-03 -0.15735E-03 4975 0.959E-02 0.416E-01 RMM: 5 -0.321837940378E+03 0.11630E-02 -0.60257E-04 4591 0.651E-02 0.937E-02 RMM: 6 -0.321837925777E+03 0.14601E-04 -0.14976E-04 3878 0.313E-02 1600 T= 5938. E= 0.67621818E+03 F= 0.62709337E+03 E0= 0.65558552E+03 EK= 0.49125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322015802229E+03 -0.17786E+00 -0.18270E-01 7716 0.233E+01 0.404E-01 RMM: 2 -0.322043905573E+03 -0.28103E-01 -0.99472E-02 5010 0.751E-01 0.177E+00 RMM: 3 -0.322022172902E+03 0.21733E-01 -0.14028E-02 5400 0.276E-01 0.284E-01 RMM: 4 -0.322022370629E+03 -0.19773E-03 -0.25324E-03 5253 0.117E-01 0.356E-01 RMM: 5 -0.322021752663E+03 0.61797E-03 -0.86045E-04 4607 0.765E-02 0.225E-01 RMM: 6 -0.322021462923E+03 0.28974E-03 -0.31042E-04 3907 0.466E-02 0.103E-01 RMM: 7 -0.322021544314E+03 -0.81391E-04 -0.14424E-04 3884 0.333E-02 0.155E-01 RMM: 8 -0.322021379837E+03 0.16448E-03 -0.82672E-05 3652 0.274E-02 0.408E-02 RMM: 9 -0.322021377658E+03 0.21793E-05 -0.19328E-05 2596 0.130E-02 1601 T= 5970. E= 0.67598857E+03 F= 0.62660222E+03 E0= 0.65511281E+03 EK= 0.49386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322321745599E+03 -0.30037E+00 -0.18495E-01 7764 0.236E+01 0.355E-01 RMM: 2 -0.322346368453E+03 -0.24623E-01 -0.79725E-02 5109 0.684E-01 0.167E+00 RMM: 3 -0.322326889652E+03 0.19479E-01 -0.11542E-02 5379 0.256E-01 0.302E-01 RMM: 4 -0.322326510703E+03 0.37895E-03 -0.20067E-03 4946 0.103E-01 0.227E-01 RMM: 5 -0.322326422534E+03 0.88169E-04 -0.57028E-04 4544 0.638E-02 0.224E-01 RMM: 6 -0.322326111613E+03 0.31092E-03 -0.19149E-04 3882 0.373E-02 0.643E-02 RMM: 7 -0.322326161002E+03 -0.49389E-04 -0.99439E-05 3767 0.278E-02 0.108E-01 RMM: 8 -0.322326080967E+03 0.80035E-04 -0.39550E-05 3157 0.201E-02 0.345E-02 RMM: 9 -0.322326073766E+03 0.72015E-05 -0.80043E-06 2477 0.808E-03 1602 T= 6165. E= 0.67699616E+03 F= 0.62599564E+03 E0= 0.65452145E+03 EK= 0.51001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322685834427E+03 -0.35975E+00 -0.19557E-01 7932 0.241E+01 0.323E-01 RMM: 2 -0.322704574411E+03 -0.18740E-01 -0.86305E-02 5099 0.718E-01 0.138E+00 RMM: 3 -0.322691802540E+03 0.12772E-01 -0.10239E-02 5420 0.228E-01 0.251E-01 RMM: 4 -0.322691656126E+03 0.14641E-03 -0.14673E-03 4750 0.885E-02 0.243E-01 RMM: 5 -0.322691415171E+03 0.24095E-03 -0.70956E-04 4603 0.744E-02 0.189E-01 RMM: 6 -0.322691237010E+03 0.17816E-03 -0.25914E-04 3886 0.423E-02 0.104E-01 RMM: 7 -0.322691292623E+03 -0.55613E-04 -0.12493E-04 3835 0.330E-02 0.144E-01 RMM: 8 -0.322691154352E+03 0.13827E-03 -0.58540E-05 3403 0.232E-02 0.329E-02 RMM: 9 -0.322691153422E+03 0.92959E-06 -0.13693E-05 2519 0.109E-02 1603 T= 6461. E= 0.67879016E+03 F= 0.62533736E+03 E0= 0.65387272E+03 EK= 0.53453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323018461840E+03 -0.32731E+00 -0.20059E-01 8112 0.246E+01 0.265E-01 RMM: 2 -0.323030554258E+03 -0.12092E-01 -0.79577E-02 5186 0.689E-01 0.967E-01 RMM: 3 -0.323024340086E+03 0.62142E-02 -0.82331E-03 5524 0.191E-01 0.210E-01 RMM: 4 -0.323024169337E+03 0.17075E-03 -0.97651E-04 4645 0.753E-02 0.203E-01 RMM: 5 -0.323023975130E+03 0.19421E-03 -0.55312E-04 4585 0.671E-02 0.156E-01 RMM: 6 -0.323023907534E+03 0.67597E-04 -0.22068E-04 3888 0.394E-02 0.121E-01 RMM: 7 -0.323023894418E+03 0.13116E-04 -0.11063E-04 3801 0.317E-02 1604 T= 6752. E= 0.68058122E+03 F= 0.62472086E+03 E0= 0.65325928E+03 EK= 0.55860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323212533486E+03 -0.18863E+00 -0.20878E-01 8352 0.249E+01 0.273E-01 RMM: 2 -0.323222771969E+03 -0.10238E-01 -0.88650E-02 5159 0.726E-01 0.741E-01 RMM: 3 -0.323219341141E+03 0.34308E-02 -0.94363E-03 5774 0.187E-01 0.223E-01 RMM: 4 -0.323219222844E+03 0.11830E-03 -0.95643E-04 4677 0.780E-02 0.259E-01 RMM: 5 -0.323218771363E+03 0.45148E-03 -0.76460E-04 4599 0.786E-02 0.123E-01 RMM: 6 -0.323218946740E+03 -0.17538E-03 -0.31340E-04 3895 0.455E-02 0.205E-01 RMM: 7 -0.323218710042E+03 0.23670E-03 -0.15267E-04 3888 0.386E-02 0.957E-02 RMM: 8 -0.323218653160E+03 0.56882E-04 -0.38177E-05 3093 0.182E-02 0.384E-02 RMM: 9 -0.323218659464E+03 -0.63042E-05 -0.24848E-05 2576 0.148E-02 1605 T= 6917. E= 0.68146889E+03 F= 0.62425028E+03 E0= 0.65278265E+03 EK= 0.57219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323184418755E+03 0.34234E-01 -0.21548E-01 8424 0.249E+01 0.234E-01 RMM: 2 -0.323197836840E+03 -0.13418E-01 -0.10169E-01 4977 0.774E-01 0.885E-01 RMM: 3 -0.323192713842E+03 0.51230E-02 -0.11606E-02 5817 0.207E-01 0.185E-01 RMM: 4 -0.323192467064E+03 0.24678E-03 -0.82862E-04 4676 0.691E-02 0.181E-01 RMM: 5 -0.323192267184E+03 0.19988E-03 -0.38489E-04 4488 0.563E-02 0.111E-01 RMM: 6 -0.323192279193E+03 -0.12009E-04 -0.19172E-04 3888 0.368E-02 1606 T= 6877. E= 0.68089359E+03 F= 0.62400579E+03 E0= 0.65252355E+03 EK= 0.56888E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322908311205E+03 0.28396E+00 -0.20953E-01 8064 0.245E+01 0.425E-01 RMM: 2 -0.322944294090E+03 -0.35983E-01 -0.10264E-01 5056 0.775E-01 0.206E+00 RMM: 3 -0.322914912504E+03 0.29382E-01 -0.17335E-02 5379 0.318E-01 0.341E-01 RMM: 4 -0.322914434652E+03 0.47785E-03 -0.22998E-03 5172 0.104E-01 0.260E-01 RMM: 5 -0.322914366925E+03 0.67726E-04 -0.95069E-04 4608 0.834E-02 0.275E-01 RMM: 6 -0.322913911862E+03 0.45506E-03 -0.38720E-04 3983 0.515E-02 0.109E-01 RMM: 7 -0.322914013547E+03 -0.10168E-03 -0.22358E-04 3891 0.411E-02 0.170E-01 RMM: 8 -0.322913824887E+03 0.18866E-03 -0.11937E-04 3857 0.335E-02 0.506E-02 RMM: 9 -0.322913816587E+03 0.83001E-05 -0.16752E-05 2560 0.122E-02 1607 T= 6648. E= 0.67900816E+03 F= 0.62401507E+03 E0= 0.65250838E+03 EK= 0.54993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322409385906E+03 0.50444E+00 -0.19960E-01 8016 0.239E+01 0.356E-01 RMM: 2 -0.322437885145E+03 -0.28499E-01 -0.90259E-02 4971 0.703E-01 0.179E+00 RMM: 3 -0.322415573926E+03 0.22311E-01 -0.13853E-02 5380 0.283E-01 0.312E-01 RMM: 4 -0.322415094942E+03 0.47898E-03 -0.19394E-03 5061 0.970E-02 0.209E-01 RMM: 5 -0.322415089129E+03 0.58121E-05 -0.45426E-04 4466 0.557E-02 0.226E-01 RMM: 6 -0.322414751152E+03 0.33798E-03 -0.20864E-04 3887 0.394E-02 0.607E-02 RMM: 7 -0.322414822879E+03 -0.71727E-04 -0.10238E-04 3752 0.272E-02 0.123E-01 RMM: 8 -0.322414721164E+03 0.10172E-03 -0.48003E-05 3250 0.217E-02 0.327E-02 RMM: 9 -0.322414715758E+03 0.54056E-05 -0.86894E-06 2486 0.834E-03 1608 T= 6327. E= 0.67658736E+03 F= 0.62424445E+03 E0= 0.65270797E+03 EK= 0.52343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321765150765E+03 0.64957E+00 -0.18748E-01 8136 0.232E+01 0.352E-01 RMM: 2 -0.321783723870E+03 -0.18573E-01 -0.90397E-02 4992 0.700E-01 0.134E+00 RMM: 3 -0.321771244165E+03 0.12480E-01 -0.11920E-02 5431 0.244E-01 0.272E-01 RMM: 4 -0.321771362713E+03 -0.11855E-03 -0.18604E-03 4962 0.993E-02 0.327E-01 RMM: 5 -0.321770831330E+03 0.53138E-03 -0.56967E-04 4574 0.626E-02 0.194E-01 RMM: 6 -0.321770596680E+03 0.23465E-03 -0.17724E-04 3880 0.349E-02 0.707E-02 RMM: 7 -0.321770659278E+03 -0.62598E-04 -0.11136E-04 3835 0.284E-02 0.123E-01 RMM: 8 -0.321770554900E+03 0.10438E-03 -0.53401E-05 3321 0.225E-02 0.318E-02 RMM: 9 -0.321770552014E+03 0.28861E-05 -0.11292E-05 2500 0.956E-03 1609 T= 6038. E= 0.67457202E+03 F= 0.62461822E+03 E0= 0.65304752E+03 EK= 0.49954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321063712604E+03 0.70684E+00 -0.17919E-01 8268 0.226E+01 0.293E-01 RMM: 2 -0.321073941910E+03 -0.10229E-01 -0.86926E-02 4966 0.666E-01 0.749E-01 RMM: 3 -0.321069870154E+03 0.40718E-02 -0.94265E-03 5598 0.199E-01 0.220E-01 RMM: 4 -0.321070337504E+03 -0.46735E-03 -0.12504E-03 4761 0.856E-02 0.366E-01 RMM: 5 -0.321069448444E+03 0.88906E-03 -0.47197E-04 4462 0.569E-02 0.112E-01 RMM: 6 -0.321069398117E+03 0.50328E-04 -0.13809E-04 3875 0.311E-02 0.791E-02 RMM: 7 -0.321069417381E+03 -0.19264E-04 -0.53754E-05 3324 0.210E-02 1610 T= 5877. E= 0.67367300E+03 F= 0.62505030E+03 E0= 0.65344416E+03 EK= 0.48623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320379343798E+03 0.69005E+00 -0.17635E-01 8292 0.224E+01 0.283E-01 RMM: 2 -0.320388733486E+03 -0.93897E-02 -0.86959E-02 4945 0.666E-01 0.634E-01 RMM: 3 -0.320385804917E+03 0.29286E-02 -0.93287E-03 5763 0.186E-01 0.215E-01 RMM: 4 -0.320386226169E+03 -0.42125E-03 -0.12584E-03 4806 0.886E-02 0.368E-01 RMM: 5 -0.320385348048E+03 0.87812E-03 -0.52033E-04 4499 0.604E-02 0.105E-01 RMM: 6 -0.320385326067E+03 0.21981E-04 -0.12244E-04 3835 0.286E-02 0.959E-02 RMM: 7 -0.320385300245E+03 0.25822E-04 -0.62476E-05 3453 0.227E-02 0.845E-02 RMM: 8 -0.320385252596E+03 0.47650E-04 -0.31267E-05 2981 0.176E-02 0.251E-02 RMM: 9 -0.320385258658E+03 -0.60622E-05 -0.11944E-05 2495 0.974E-03 1611 T= 5895. E= 0.67423461E+03 F= 0.62547034E+03 E0= 0.65383115E+03 EK= 0.48764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319756905045E+03 0.62835E+00 -0.18717E-01 8196 0.226E+01 0.239E-01 RMM: 2 -0.319767425872E+03 -0.10521E-01 -0.96083E-02 4989 0.702E-01 0.628E-01 RMM: 3 -0.319764403362E+03 0.30225E-02 -0.99072E-03 5894 0.186E-01 0.185E-01 RMM: 4 -0.319764518836E+03 -0.11547E-03 -0.95086E-04 4734 0.773E-02 0.271E-01 RMM: 5 -0.319764033018E+03 0.48582E-03 -0.33221E-04 4028 0.478E-02 0.105E-01 RMM: 6 -0.319763983183E+03 0.49835E-04 -0.12030E-04 3836 0.306E-02 0.652E-02 RMM: 7 -0.319763984308E+03 -0.11258E-05 -0.32436E-05 2964 0.176E-02 1612 T= 6092. E= 0.67623329E+03 F= 0.62583627E+03 E0= 0.65416836E+03 EK= 0.50397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319208317067E+03 0.55567E+00 -0.19311E-01 8604 0.231E+01 0.250E-01 RMM: 2 -0.319218698842E+03 -0.10382E-01 -0.98771E-02 5173 0.706E-01 0.589E-01 RMM: 3 -0.319215979163E+03 0.27197E-02 -0.95757E-03 5992 0.179E-01 0.176E-01 RMM: 4 -0.319216153768E+03 -0.17461E-03 -0.92852E-04 4731 0.766E-02 0.296E-01 RMM: 5 -0.319215563479E+03 0.59029E-03 -0.40933E-04 4226 0.537E-02 0.100E-01 RMM: 6 -0.319215592137E+03 -0.28659E-04 -0.16854E-04 3876 0.347E-02 0.124E-01 RMM: 7 -0.319215530624E+03 0.61514E-04 -0.70835E-05 3567 0.257E-02 0.871E-02 RMM: 8 -0.319215479731E+03 0.50892E-04 -0.24100E-05 2772 0.153E-02 0.260E-02 RMM: 9 -0.319215483822E+03 -0.40904E-05 -0.13997E-05 2493 0.106E-02 1613 T= 6421. E= 0.67925678E+03 F= 0.62614092E+03 E0= 0.65445106E+03 EK= 0.53116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318708754837E+03 0.50672E+00 -0.19764E-01 8700 0.238E+01 0.200E-01 RMM: 2 -0.318720007938E+03 -0.11253E-01 -0.99350E-02 5135 0.727E-01 0.650E-01 RMM: 3 -0.318716965103E+03 0.30428E-02 -0.98516E-03 6043 0.182E-01 0.158E-01 RMM: 4 -0.318716794753E+03 0.17035E-03 -0.66177E-04 4666 0.645E-02 0.173E-01 RMM: 5 -0.318716585825E+03 0.20893E-03 -0.27583E-04 4006 0.465E-02 0.898E-02 RMM: 6 -0.318716604483E+03 -0.18658E-04 -0.14841E-04 3876 0.334E-02 1614 T= 6777. E= 0.68247164E+03 F= 0.62640812E+03 E0= 0.65470576E+03 EK= 0.56064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318219608144E+03 0.49698E+00 -0.20799E-01 8604 0.244E+01 0.314E-01 RMM: 2 -0.318244485416E+03 -0.24877E-01 -0.10844E-01 5278 0.762E-01 0.153E+00 RMM: 3 -0.318227661962E+03 0.16823E-01 -0.12003E-02 5400 0.249E-01 0.257E-01 RMM: 4 -0.318227359102E+03 0.30286E-03 -0.13808E-03 4779 0.811E-02 0.183E-01 RMM: 5 -0.318227190379E+03 0.16872E-03 -0.54413E-04 4598 0.647E-02 0.150E-01 RMM: 6 -0.318227126498E+03 0.63881E-04 -0.21682E-04 3886 0.381E-02 0.121E-01 RMM: 7 -0.318227141526E+03 -0.15028E-04 -0.12930E-04 3879 0.327E-02 1615 T= 7023. E= 0.68477479E+03 F= 0.62667659E+03 E0= 0.65497161E+03 EK= 0.58098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317707494020E+03 0.51963E+00 -0.20968E-01 8712 0.247E+01 0.322E-01 RMM: 2 -0.317733292385E+03 -0.25798E-01 -0.10977E-01 5263 0.800E-01 0.158E+00 RMM: 3 -0.317715671678E+03 0.17621E-01 -0.12460E-02 5418 0.260E-01 0.304E-01 RMM: 4 -0.317715061571E+03 0.61011E-03 -0.15378E-03 4743 0.867E-02 0.142E-01 RMM: 5 -0.317715035245E+03 0.26326E-04 -0.41983E-04 4504 0.566E-02 0.164E-01 RMM: 6 -0.317714888478E+03 0.14677E-03 -0.16303E-04 3876 0.339E-02 0.847E-02 RMM: 7 -0.317714956439E+03 -0.67962E-04 -0.10631E-04 3782 0.281E-02 0.136E-01 RMM: 8 -0.317714832821E+03 0.12362E-03 -0.57026E-05 3373 0.231E-02 0.340E-02 RMM: 9 -0.317714830339E+03 0.24827E-05 -0.12643E-05 2504 0.102E-02 1616 T= 7048. E= 0.68528294E+03 F= 0.62697554E+03 E0= 0.65527681E+03 EK= 0.58307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317175003944E+03 0.53983E+00 -0.20957E-01 8412 0.247E+01 0.225E-01 RMM: 2 -0.317189360572E+03 -0.14357E-01 -0.10091E-01 5387 0.712E-01 0.928E-01 RMM: 3 -0.317182668387E+03 0.66922E-02 -0.78262E-03 5601 0.188E-01 0.154E-01 RMM: 4 -0.317182783502E+03 -0.11511E-03 -0.88295E-04 4678 0.702E-02 0.222E-01 RMM: 5 -0.317182486669E+03 0.29683E-03 -0.25392E-04 3905 0.426E-02 0.102E-01 RMM: 6 -0.317182437155E+03 0.49514E-04 -0.93729E-05 3693 0.271E-02 0.652E-02 RMM: 7 -0.317182453381E+03 -0.16226E-04 -0.49193E-05 3216 0.207E-02 1617 T= 6841. E= 0.68389053E+03 F= 0.62729871E+03 E0= 0.65561275E+03 EK= 0.56592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316665073779E+03 0.51736E+00 -0.20663E-01 8160 0.243E+01 0.292E-01 RMM: 2 -0.316679738303E+03 -0.14665E-01 -0.11130E-01 5136 0.789E-01 0.940E-01 RMM: 3 -0.316673472464E+03 0.62658E-02 -0.11638E-02 5775 0.226E-01 0.218E-01 RMM: 4 -0.316673514368E+03 -0.41905E-04 -0.12162E-03 4829 0.836E-02 0.274E-01 RMM: 5 -0.316673031278E+03 0.48309E-03 -0.38267E-04 4127 0.509E-02 0.120E-01 RMM: 6 -0.316672992367E+03 0.38911E-04 -0.14075E-04 3874 0.321E-02 0.989E-02 RMM: 7 -0.316673008189E+03 -0.15822E-04 -0.86223E-05 3694 0.257E-02 1618 T= 6496. E= 0.68134333E+03 F= 0.62760034E+03 E0= 0.65592777E+03 EK= 0.53743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316244855692E+03 0.42814E+00 -0.20175E-01 8100 0.237E+01 0.256E-01 RMM: 2 -0.316257641803E+03 -0.12786E-01 -0.11667E-01 4979 0.804E-01 0.675E-01 RMM: 3 -0.316254148869E+03 0.34929E-02 -0.12067E-02 5822 0.220E-01 0.191E-01 RMM: 4 -0.316254319479E+03 -0.17061E-03 -0.10521E-03 4842 0.797E-02 0.293E-01 RMM: 5 -0.316253772606E+03 0.54687E-03 -0.34339E-04 4122 0.490E-02 0.108E-01 RMM: 6 -0.316253719395E+03 0.53212E-04 -0.10270E-04 3713 0.281E-02 0.705E-02 RMM: 7 -0.316253746149E+03 -0.26755E-04 -0.61622E-05 3414 0.223E-02 0.101E-01 RMM: 8 -0.316253676708E+03 0.69441E-04 -0.31985E-05 2938 0.183E-02 0.301E-02 RMM: 9 -0.316253673851E+03 0.28567E-05 -0.11622E-05 2481 0.958E-03 1619 T= 6156. E= 0.67873849E+03 F= 0.62781214E+03 E0= 0.65615144E+03 EK= 0.50926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315980687149E+03 0.27299E+00 -0.18868E-01 8100 0.233E+01 0.225E-01 RMM: 2 -0.315990871088E+03 -0.10184E-01 -0.97580E-02 5100 0.726E-01 0.560E-01 RMM: 3 -0.315988323085E+03 0.25480E-02 -0.92377E-03 5768 0.193E-01 0.169E-01 RMM: 4 -0.315988589008E+03 -0.26592E-03 -0.86519E-04 4774 0.729E-02 0.287E-01 RMM: 5 -0.315988036849E+03 0.55216E-03 -0.30655E-04 4006 0.467E-02 0.775E-02 RMM: 6 -0.315988012409E+03 0.24439E-04 -0.69493E-05 3433 0.239E-02 0.561E-02 RMM: 7 -0.315988024438E+03 -0.12029E-04 -0.31891E-05 2790 0.170E-02 1620 T= 5936. E= 0.67697897E+03 F= 0.62787136E+03 E0= 0.65621502E+03 EK= 0.49108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315904673257E+03 0.83339E-01 -0.17938E-01 8088 0.232E+01 0.241E-01 RMM: 2 -0.315913711062E+03 -0.90378E-02 -0.83017E-02 5027 0.682E-01 0.608E-01 RMM: 3 -0.315911041327E+03 0.26697E-02 -0.87625E-03 5729 0.189E-01 0.172E-01 RMM: 4 -0.315911301935E+03 -0.26061E-03 -0.85919E-04 4720 0.716E-02 0.293E-01 RMM: 5 -0.315910736741E+03 0.56519E-03 -0.33183E-04 4102 0.489E-02 0.922E-02 RMM: 6 -0.315910729968E+03 0.67729E-05 -0.11031E-04 3754 0.285E-02 1621 T= 5899. E= 0.67654836E+03 F= 0.62774560E+03 E0= 0.65608624E+03 EK= 0.48803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316007823769E+03 -0.97087E-01 -0.17877E-01 7968 0.234E+01 0.261E-01 RMM: 2 -0.316022975290E+03 -0.15152E-01 -0.71494E-02 5083 0.637E-01 0.118E+00 RMM: 3 -0.316013172238E+03 0.98031E-02 -0.84448E-03 5364 0.210E-01 0.232E-01 RMM: 4 -0.316012957721E+03 0.21452E-03 -0.10282E-03 4671 0.717E-02 0.174E-01 RMM: 5 -0.316012819765E+03 0.13796E-03 -0.33321E-04 4226 0.510E-02 0.131E-01 RMM: 6 -0.316012738890E+03 0.80875E-04 -0.14046E-04 3875 0.331E-02 0.807E-02 RMM: 7 -0.316012772625E+03 -0.33735E-04 -0.75474E-05 3581 0.249E-02 0.111E-01 RMM: 8 -0.316012688769E+03 0.83857E-04 -0.41888E-05 3175 0.205E-02 0.303E-02 RMM: 9 -0.316012686360E+03 0.24088E-05 -0.10749E-05 2487 0.963E-03 1622 T= 6052. E= 0.67751483E+03 F= 0.62744682E+03 E0= 0.65577263E+03 EK= 0.50068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316233584707E+03 -0.22090E+00 -0.18614E-01 8064 0.239E+01 0.274E-01 RMM: 2 -0.316253063593E+03 -0.19479E-01 -0.72611E-02 5159 0.660E-01 0.143E+00 RMM: 3 -0.316238944147E+03 0.14119E-01 -0.90396E-03 5355 0.223E-01 0.256E-01 RMM: 4 -0.316238533904E+03 0.41024E-03 -0.11546E-03 4668 0.757E-02 0.128E-01 RMM: 5 -0.316238504402E+03 0.29502E-04 -0.27563E-04 4056 0.464E-02 0.135E-01 RMM: 6 -0.316238393906E+03 0.11050E-03 -0.10507E-04 3813 0.296E-02 0.532E-02 RMM: 7 -0.316238429217E+03 -0.35311E-04 -0.56340E-05 3326 0.215E-02 0.927E-02 RMM: 8 -0.316238371441E+03 0.57776E-04 -0.30233E-05 2924 0.186E-02 0.223E-02 RMM: 9 -0.316238369458E+03 0.19829E-05 -0.67313E-06 2454 0.742E-03 1623 T= 6348. E= 0.67954930E+03 F= 0.62703272E+03 E0= 0.65533347E+03 EK= 0.52517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316484270349E+03 -0.24590E+00 -0.19273E-01 7764 0.246E+01 0.219E-01 RMM: 2 -0.316497043252E+03 -0.12773E-01 -0.79802E-02 5142 0.687E-01 0.957E-01 RMM: 3 -0.316490570437E+03 0.64728E-02 -0.82583E-03 5528 0.189E-01 0.177E-01 RMM: 4 -0.316490370209E+03 0.20023E-03 -0.67155E-04 4625 0.592E-02 0.134E-01 RMM: 5 -0.316490248996E+03 0.12121E-03 -0.24490E-04 3971 0.457E-02 0.953E-02 RMM: 6 -0.316490274691E+03 -0.25695E-04 -0.14191E-04 3879 0.327E-02 0.118E-01 RMM: 7 -0.316490238510E+03 0.36181E-04 -0.74541E-05 3569 0.256E-02 0.994E-02 RMM: 8 -0.316490171863E+03 0.66647E-04 -0.35402E-05 3048 0.184E-02 0.280E-02 RMM: 9 -0.316490172421E+03 -0.55770E-06 -0.12079E-05 2482 0.997E-03 1624 T= 6687. E= 0.68191720E+03 F= 0.62660170E+03 E0= 0.65486707E+03 EK= 0.55315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316642181473E+03 -0.15201E+00 -0.19391E-01 7848 0.251E+01 0.196E-01 RMM: 2 -0.316653136755E+03 -0.10955E-01 -0.85185E-02 5079 0.711E-01 0.767E-01 RMM: 3 -0.316649192726E+03 0.39440E-02 -0.91900E-03 5764 0.185E-01 0.166E-01 RMM: 4 -0.316648968332E+03 0.22439E-03 -0.55589E-04 4614 0.558E-02 0.134E-01 RMM: 5 -0.316648834615E+03 0.13372E-03 -0.18982E-04 3911 0.408E-02 0.805E-02 RMM: 6 -0.316648869259E+03 -0.34643E-04 -0.13017E-04 3872 0.312E-02 0.113E-01 RMM: 7 -0.316648818463E+03 0.50796E-04 -0.58266E-05 3362 0.232E-02 0.821E-02 RMM: 8 -0.316648772615E+03 0.45848E-04 -0.25022E-05 2681 0.156E-02 0.256E-02 RMM: 9 -0.316648772482E+03 0.13263E-06 -0.12630E-05 2466 0.103E-02 1625 T= 6931. E= 0.68361434E+03 F= 0.62627231E+03 E0= 0.65449335E+03 EK= 0.57342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316606059140E+03 0.42713E-01 -0.19920E-01 7692 0.254E+01 0.202E-01 RMM: 2 -0.316618783690E+03 -0.12725E-01 -0.99655E-02 4941 0.766E-01 0.783E-01 RMM: 3 -0.316614353824E+03 0.44299E-02 -0.11435E-02 5823 0.202E-01 0.156E-01 RMM: 4 -0.316614117107E+03 0.23672E-03 -0.65581E-04 4642 0.623E-02 0.140E-01 RMM: 5 -0.316613975101E+03 0.14201E-03 -0.20225E-04 3933 0.416E-02 0.770E-02 RMM: 6 -0.316614024850E+03 -0.49749E-04 -0.11856E-04 3866 0.295E-02 0.118E-01 RMM: 7 -0.316613967880E+03 0.56970E-04 -0.58493E-05 3348 0.231E-02 0.850E-02 RMM: 8 -0.316613918515E+03 0.49365E-04 -0.27852E-05 2806 0.163E-02 0.239E-02 RMM: 9 -0.316613919610E+03 -0.10952E-05 -0.13589E-05 2471 0.106E-02 1626 T= 6970. E= 0.68380479E+03 F= 0.62614281E+03 E0= 0.65431304E+03 EK= 0.57662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316330904215E+03 0.28301E+00 -0.20253E-01 7788 0.252E+01 0.210E-01 RMM: 2 -0.316343233699E+03 -0.12329E-01 -0.10138E-01 4905 0.770E-01 0.748E-01 RMM: 3 -0.316339252532E+03 0.39812E-02 -0.11656E-02 5851 0.205E-01 0.170E-01 RMM: 4 -0.316339032260E+03 0.22027E-03 -0.70003E-04 4672 0.646E-02 0.157E-01 RMM: 5 -0.316338867224E+03 0.16504E-03 -0.19907E-04 3911 0.397E-02 0.923E-02 RMM: 6 -0.316338852964E+03 0.14260E-04 -0.11179E-04 3828 0.295E-02 1627 T= 6781. E= 0.68235163E+03 F= 0.62625760E+03 E0= 0.65437382E+03 EK= 0.56094E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315836748256E+03 0.50212E+00 -0.18863E-01 7764 0.246E+01 0.333E-01 RMM: 2 -0.315864920195E+03 -0.28172E-01 -0.92984E-02 4989 0.740E-01 0.174E+00 RMM: 3 -0.315843676409E+03 0.21244E-01 -0.14192E-02 5374 0.281E-01 0.277E-01 RMM: 4 -0.315843334788E+03 0.34162E-03 -0.16913E-03 4895 0.879E-02 0.183E-01 RMM: 5 -0.315843182120E+03 0.15267E-03 -0.28997E-04 3910 0.416E-02 0.148E-01 RMM: 6 -0.315843056647E+03 0.12547E-03 -0.12392E-04 3879 0.313E-02 0.733E-02 RMM: 7 -0.315843107728E+03 -0.51082E-04 -0.10056E-04 3819 0.270E-02 0.117E-01 RMM: 8 -0.315843016650E+03 0.91078E-04 -0.53797E-05 3301 0.220E-02 0.417E-02 RMM: 9 -0.315843006957E+03 0.96932E-05 -0.14288E-05 2511 0.113E-02 1628 T= 6447. E= 0.67992693E+03 F= 0.62659543E+03 E0= 0.65465714E+03 EK= 0.53331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315188985807E+03 0.65403E+00 -0.17679E-01 7668 0.240E+01 0.348E-01 RMM: 2 -0.315220044541E+03 -0.31059E-01 -0.10122E-01 4937 0.794E-01 0.186E+00 RMM: 3 -0.315196127161E+03 0.23917E-01 -0.14709E-02 5393 0.291E-01 0.303E-01 RMM: 4 -0.315195518472E+03 0.60869E-03 -0.18767E-03 5009 0.959E-02 0.144E-01 RMM: 5 -0.315195538721E+03 -0.20248E-04 -0.28043E-04 3900 0.409E-02 0.167E-01 RMM: 6 -0.315195344992E+03 0.19373E-03 -0.91945E-05 3657 0.277E-02 0.379E-02 RMM: 7 -0.315195358910E+03 -0.13918E-04 -0.35956E-05 2948 0.170E-02 1629 T= 6103. E= 0.67757679E+03 F= 0.62708673E+03 E0= 0.65509575E+03 EK= 0.50490E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314471706989E+03 0.72364E+00 -0.16984E-01 7620 0.234E+01 0.271E-01 RMM: 2 -0.314486922239E+03 -0.15215E-01 -0.91830E-02 5038 0.737E-01 0.108E+00 RMM: 3 -0.314478780177E+03 0.81421E-02 -0.10699E-02 5494 0.223E-01 0.206E-01 RMM: 4 -0.314478763455E+03 0.16722E-04 -0.12397E-03 4722 0.823E-02 0.222E-01 RMM: 5 -0.314478462737E+03 0.30072E-03 -0.24937E-04 3896 0.381E-02 0.118E-01 RMM: 6 -0.314478377841E+03 0.84896E-04 -0.67597E-05 3457 0.234E-02 0.493E-02 RMM: 7 -0.314478403253E+03 -0.25412E-04 -0.63504E-05 3451 0.211E-02 0.861E-02 RMM: 8 -0.314478352140E+03 0.51113E-04 -0.38469E-05 3028 0.196E-02 0.224E-02 RMM: 9 -0.314478353961E+03 -0.18208E-05 -0.10539E-05 2476 0.938E-03 1630 T= 5868. E= 0.67619813E+03 F= 0.62764993E+03 E0= 0.65560921E+03 EK= 0.48548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313753015273E+03 0.72534E+00 -0.16704E-01 7680 0.231E+01 0.265E-01 RMM: 2 -0.313768331636E+03 -0.15316E-01 -0.10295E-01 4913 0.786E-01 0.103E+00 RMM: 3 -0.313761059966E+03 0.72717E-02 -0.11984E-02 5573 0.229E-01 0.204E-01 RMM: 4 -0.313760906956E+03 0.15301E-03 -0.11341E-03 4738 0.777E-02 0.195E-01 RMM: 5 -0.313760723305E+03 0.18365E-03 -0.24649E-04 3899 0.394E-02 0.132E-01 RMM: 6 -0.313760605802E+03 0.11750E-03 -0.88963E-05 3595 0.271E-02 0.416E-02 RMM: 7 -0.313760625361E+03 -0.19558E-04 -0.38042E-05 2965 0.180E-02 1631 T= 5813. E= 0.67630389E+03 F= 0.62821835E+03 E0= 0.65613160E+03 EK= 0.48086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313079529483E+03 0.68108E+00 -0.17017E-01 7560 0.231E+01 0.230E-01 RMM: 2 -0.313091272153E+03 -0.11743E-01 -0.98302E-02 4958 0.767E-01 0.739E-01 RMM: 3 -0.313087547246E+03 0.37249E-02 -0.11593E-02 5775 0.211E-01 0.141E-01 RMM: 4 -0.313087536577E+03 0.10669E-04 -0.78263E-04 4703 0.634E-02 0.208E-01 RMM: 5 -0.313087232347E+03 0.30423E-03 -0.18389E-04 3888 0.349E-02 0.700E-02 RMM: 6 -0.313087221128E+03 0.11220E-04 -0.66059E-05 3429 0.226E-02 1632 T= 5955. E= 0.67801694E+03 F= 0.62874927E+03 E0= 0.65662083E+03 EK= 0.49268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312470728327E+03 0.61650E+00 -0.18272E-01 7488 0.235E+01 0.317E-01 RMM: 2 -0.312499883520E+03 -0.29155E-01 -0.11153E-01 4999 0.815E-01 0.170E+00 RMM: 3 -0.312479307270E+03 0.20576E-01 -0.14866E-02 5403 0.280E-01 0.244E-01 RMM: 4 -0.312478957867E+03 0.34940E-03 -0.15748E-03 4779 0.811E-02 0.142E-01 RMM: 5 -0.312478878613E+03 0.79254E-04 -0.25110E-04 3896 0.398E-02 0.123E-01 RMM: 6 -0.312478782211E+03 0.96402E-04 -0.86582E-05 3641 0.257E-02 0.562E-02 RMM: 7 -0.312478812092E+03 -0.29881E-04 -0.68099E-05 3499 0.230E-02 0.901E-02 RMM: 8 -0.312478757837E+03 0.54255E-04 -0.37691E-05 3007 0.193E-02 0.379E-02 RMM: 9 -0.312478749250E+03 0.85866E-05 -0.11898E-05 2482 0.102E-02 1633 T= 6268. E= 0.68107323E+03 F= 0.62922391E+03 E0= 0.65705861E+03 EK= 0.51849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311928488092E+03 0.55027E+00 -0.19516E-01 7392 0.241E+01 0.316E-01 RMM: 2 -0.311956476118E+03 -0.27988E-01 -0.13058E-01 4922 0.903E-01 0.158E+00 RMM: 3 -0.311938756905E+03 0.17719E-01 -0.16739E-02 5421 0.295E-01 0.294E-01 RMM: 4 -0.311938131156E+03 0.62575E-03 -0.17437E-03 4969 0.882E-02 0.105E-01 RMM: 5 -0.311938114789E+03 0.16367E-04 -0.26613E-04 3890 0.392E-02 0.129E-01 RMM: 6 -0.311938007161E+03 0.10763E-03 -0.86876E-05 3686 0.263E-02 0.445E-02 RMM: 7 -0.311938038471E+03 -0.31310E-04 -0.49582E-05 3166 0.201E-02 0.864E-02 RMM: 8 -0.311937984316E+03 0.54156E-04 -0.28915E-05 2707 0.174E-02 0.218E-02 RMM: 9 -0.311937982089E+03 0.22267E-05 -0.83434E-06 2461 0.808E-03 1634 T= 6663. E= 0.68475805E+03 F= 0.62964015E+03 E0= 0.65744262E+03 EK= 0.55118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311446846671E+03 0.49114E+00 -0.20857E-01 7416 0.247E+01 0.255E-01 RMM: 2 -0.311468158030E+03 -0.21311E-01 -0.13937E-01 4923 0.926E-01 0.118E+00 RMM: 3 -0.311458668105E+03 0.94899E-02 -0.16544E-02 5669 0.259E-01 0.208E-01 RMM: 4 -0.311458267860E+03 0.40025E-03 -0.11588E-03 4819 0.746E-02 0.133E-01 RMM: 5 -0.311458170043E+03 0.97816E-04 -0.20898E-04 3892 0.386E-02 0.938E-02 RMM: 6 -0.311458124480E+03 0.45563E-04 -0.67263E-05 3461 0.224E-02 0.633E-02 RMM: 7 -0.311458140326E+03 -0.15847E-04 -0.72874E-05 3681 0.239E-02 1635 T= 7003. E= 0.68793554E+03 F= 0.63000412E+03 E0= 0.65777863E+03 EK= 0.57931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311027144364E+03 0.43098E+00 -0.21585E-01 7572 0.250E+01 0.196E-01 RMM: 2 -0.311043006485E+03 -0.15862E-01 -0.14450E-01 4840 0.946E-01 0.679E-01 RMM: 3 -0.311040074976E+03 0.29315E-02 -0.17568E-02 6106 0.237E-01 0.160E-01 RMM: 4 -0.311039683912E+03 0.39106E-03 -0.82253E-04 4777 0.734E-02 0.151E-01 RMM: 5 -0.311039521196E+03 0.16272E-03 -0.17560E-04 3904 0.376E-02 0.688E-02 RMM: 6 -0.311039539748E+03 -0.18552E-04 -0.74366E-05 3503 0.236E-02 1636 T= 7145. E= 0.68942391E+03 F= 0.63031387E+03 E0= 0.65806342E+03 EK= 0.59110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310688492038E+03 0.35103E+00 -0.21975E-01 7620 0.249E+01 0.325E-01 RMM: 2 -0.310722020193E+03 -0.33528E-01 -0.15569E-01 4826 0.978E-01 0.173E+00 RMM: 3 -0.310701324120E+03 0.20696E-01 -0.20717E-02 5450 0.323E-01 0.272E-01 RMM: 4 -0.310700799402E+03 0.52472E-03 -0.18629E-03 5063 0.863E-02 0.124E-01 RMM: 5 -0.310700737750E+03 0.61652E-04 -0.25197E-04 3932 0.399E-02 0.110E-01 RMM: 6 -0.310700664472E+03 0.73278E-04 -0.80361E-05 3576 0.247E-02 0.584E-02 RMM: 7 -0.310700696084E+03 -0.31612E-04 -0.63356E-05 3434 0.223E-02 0.931E-02 RMM: 8 -0.310700635922E+03 0.60162E-04 -0.38431E-05 2981 0.189E-02 0.370E-02 RMM: 9 -0.310700628474E+03 0.74474E-05 -0.14643E-05 2486 0.113E-02 1637 T= 7025. E= 0.68866750E+03 F= 0.63054891E+03 E0= 0.65827551E+03 EK= 0.58119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310470066448E+03 0.23057E+00 -0.21343E-01 7740 0.244E+01 0.280E-01 RMM: 2 -0.310495093858E+03 -0.25027E-01 -0.14462E-01 4678 0.959E-01 0.133E+00 RMM: 3 -0.310482361614E+03 0.12732E-01 -0.19262E-02 5448 0.312E-01 0.273E-01 RMM: 4 -0.310481896400E+03 0.46521E-03 -0.17429E-03 5204 0.906E-02 0.138E-01 RMM: 5 -0.310481799145E+03 0.97255E-04 -0.25657E-04 3904 0.390E-02 0.103E-01 RMM: 6 -0.310481730512E+03 0.68632E-04 -0.67262E-05 3452 0.230E-02 0.423E-02 RMM: 7 -0.310481751519E+03 -0.21007E-04 -0.38463E-05 2936 0.173E-02 0.767E-02 RMM: 8 -0.310481712733E+03 0.38787E-04 -0.33534E-05 2685 0.184E-02 0.211E-02 RMM: 9 -0.310481711396E+03 0.13363E-05 -0.86290E-06 2453 0.814E-03 1638 T= 6703. E= 0.68611920E+03 F= 0.63066719E+03 E0= 0.65836948E+03 EK= 0.55452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310422867992E+03 0.58845E-01 -0.20084E-01 7548 0.237E+01 0.248E-01 RMM: 2 -0.310443213319E+03 -0.20345E-01 -0.13780E-01 4714 0.925E-01 0.112E+00 RMM: 3 -0.310434682564E+03 0.85308E-02 -0.17605E-02 5672 0.274E-01 0.184E-01 RMM: 4 -0.310434451200E+03 0.23136E-03 -0.12026E-03 4862 0.790E-02 0.165E-01 RMM: 5 -0.310434316067E+03 0.13513E-03 -0.20560E-04 3930 0.372E-02 0.106E-01 RMM: 6 -0.310434244109E+03 0.71959E-04 -0.61111E-05 3349 0.223E-02 0.452E-02 RMM: 7 -0.310434270520E+03 -0.26411E-04 -0.53951E-05 3260 0.210E-02 0.839E-02 RMM: 8 -0.310434223271E+03 0.47248E-04 -0.34760E-05 2876 0.180E-02 0.241E-02 RMM: 9 -0.310434222617E+03 0.65383E-06 -0.12039E-05 2469 0.102E-02 1639 T= 6321. E= 0.68290394E+03 F= 0.63061632E+03 E0= 0.65829254E+03 EK= 0.52288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310593190354E+03 -0.15897E+00 -0.18660E-01 7776 0.230E+01 0.205E-01 RMM: 2 -0.310607878917E+03 -0.14689E-01 -0.12329E-01 4707 0.874E-01 0.743E-01 RMM: 3 -0.310603880599E+03 0.39983E-02 -0.15569E-02 5871 0.245E-01 0.154E-01 RMM: 4 -0.310603701747E+03 0.17885E-03 -0.85725E-04 4793 0.707E-02 0.168E-01 RMM: 5 -0.310603520336E+03 0.18141E-03 -0.17447E-04 3900 0.363E-02 0.774E-02 RMM: 6 -0.310603486280E+03 0.34056E-04 -0.42231E-05 3058 0.192E-02 0.395E-02 RMM: 7 -0.310603499951E+03 -0.13672E-04 -0.34165E-05 2683 0.181E-02 1640 T= 6019. E= 0.68014517E+03 F= 0.63035103E+03 E0= 0.65799948E+03 EK= 0.49794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311007491682E+03 -0.40401E+00 -0.17409E-01 7620 0.227E+01 0.185E-01 RMM: 2 -0.311019851590E+03 -0.12360E-01 -0.11044E-01 4735 0.827E-01 0.619E-01 RMM: 3 -0.311017213828E+03 0.26378E-02 -0.14053E-02 5959 0.227E-01 0.144E-01 RMM: 4 -0.311017029936E+03 0.18389E-03 -0.66423E-04 4682 0.626E-02 0.156E-01 RMM: 5 -0.311016866413E+03 0.16352E-03 -0.13617E-04 3859 0.334E-02 0.598E-02 RMM: 6 -0.311016858553E+03 0.78598E-05 -0.38225E-05 2951 0.182E-02 1641 T= 5888. E= 0.67855852E+03 F= 0.62984496E+03 E0= 0.65746451E+03 EK= 0.48714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311665745489E+03 -0.64888E+00 -0.17518E-01 7656 0.227E+01 0.258E-01 RMM: 2 -0.311688132868E+03 -0.22387E-01 -0.12639E-01 4751 0.877E-01 0.127E+00 RMM: 3 -0.311676445621E+03 0.11687E-01 -0.15949E-02 5457 0.275E-01 0.212E-01 RMM: 4 -0.311676119634E+03 0.32599E-03 -0.12715E-03 4870 0.740E-02 0.108E-01 RMM: 5 -0.311676074563E+03 0.45071E-04 -0.18197E-04 3917 0.354E-02 0.948E-02 RMM: 6 -0.311676020829E+03 0.53734E-04 -0.55463E-05 3243 0.212E-02 0.473E-02 RMM: 7 -0.311676043255E+03 -0.22427E-04 -0.42234E-05 3024 0.196E-02 0.766E-02 RMM: 8 -0.311676005245E+03 0.38010E-04 -0.29840E-05 2711 0.169E-02 0.346E-02 RMM: 9 -0.311675998705E+03 0.65398E-05 -0.11739E-05 2470 0.103E-02 1642 T= 5959. E= 0.67839508E+03 F= 0.62909777E+03 E0= 0.65668901E+03 EK= 0.49297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312543900009E+03 -0.86789E+00 -0.17319E-01 7656 0.231E+01 0.266E-01 RMM: 2 -0.312565708268E+03 -0.21808E-01 -0.11642E-01 4781 0.849E-01 0.131E+00 RMM: 3 -0.312553548228E+03 0.12160E-01 -0.14700E-02 5422 0.271E-01 0.255E-01 RMM: 4 -0.312553071960E+03 0.47627E-03 -0.13789E-03 4857 0.798E-02 0.954E-02 RMM: 5 -0.312553057995E+03 0.13965E-04 -0.19337E-04 3898 0.346E-02 1643 T= 6207. E= 0.67949083E+03 F= 0.62813848E+03 E0= 0.65570473E+03 EK= 0.51352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313575806153E+03 -0.10227E+01 -0.17858E-01 7812 0.237E+01 0.193E-01 RMM: 2 -0.313591964497E+03 -0.16158E-01 -0.11107E-01 5001 0.807E-01 0.956E-01 RMM: 3 -0.313585641507E+03 0.63230E-02 -0.12765E-02 5683 0.226E-01 0.212E-01 RMM: 4 -0.313585238684E+03 0.40282E-03 -0.75520E-04 4879 0.586E-02 0.839E-02 RMM: 5 -0.313585171826E+03 0.66858E-04 -0.11795E-04 3909 0.306E-02 0.699E-02 RMM: 6 -0.313585195861E+03 -0.24035E-04 -0.89734E-05 3775 0.252E-02 0.104E-01 RMM: 7 -0.313585147596E+03 0.48266E-04 -0.90016E-05 3881 0.251E-02 0.836E-02 RMM: 8 -0.313585097906E+03 0.49689E-04 -0.33771E-05 2911 0.172E-02 0.255E-02 RMM: 9 -0.313585101130E+03 -0.32238E-05 -0.17342E-05 2488 0.121E-02 1644 T= 6556. E= 0.68126350E+03 F= 0.62703060E+03 E0= 0.65457980E+03 EK= 0.54233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314671297860E+03 -0.10862E+01 -0.19243E-01 7896 0.244E+01 0.227E-01 RMM: 2 -0.314686952525E+03 -0.15655E-01 -0.13045E-01 4815 0.903E-01 0.835E-01 RMM: 3 -0.314682475217E+03 0.44773E-02 -0.15876E-02 5867 0.242E-01 0.187E-01 RMM: 4 -0.314682208874E+03 0.26634E-03 -0.10194E-03 4838 0.764E-02 0.187E-01 RMM: 5 -0.314681968271E+03 0.24060E-03 -0.23953E-04 3897 0.418E-02 0.816E-02 RMM: 6 -0.314681934494E+03 0.33778E-04 -0.65528E-05 3407 0.234E-02 0.435E-02 RMM: 7 -0.314681934124E+03 0.36969E-06 -0.24090E-05 2580 0.152E-02 1645 T= 6877. E= 0.68275145E+03 F= 0.62586419E+03 E0= 0.65340478E+03 EK= 0.56887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315732673734E+03 -0.10507E+01 -0.19870E-01 7824 0.249E+01 0.147E-01 RMM: 2 -0.315746761433E+03 -0.14088E-01 -0.13003E-01 4895 0.882E-01 0.586E-01 RMM: 3 -0.315744555261E+03 0.22062E-02 -0.15260E-02 6073 0.220E-01 0.144E-01 RMM: 4 -0.315744171181E+03 0.38408E-03 -0.56994E-04 4714 0.605E-02 0.912E-02 RMM: 5 -0.315744107468E+03 0.63713E-04 -0.88433E-05 3640 0.295E-02 0.713E-02 RMM: 6 -0.315744110271E+03 -0.28027E-05 -0.58929E-05 3324 0.216E-02 1646 T= 7033. E= 0.68292072E+03 F= 0.62473795E+03 E0= 0.65228072E+03 EK= 0.58183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316678924581E+03 -0.93482E+00 -0.20263E-01 7692 0.251E+01 0.177E-01 RMM: 2 -0.316697723327E+03 -0.18799E-01 -0.13782E-01 4715 0.893E-01 0.932E-01 RMM: 3 -0.316691402343E+03 0.63210E-02 -0.16876E-02 5788 0.253E-01 0.177E-01 RMM: 4 -0.316691019976E+03 0.38237E-03 -0.81501E-04 4824 0.639E-02 0.872E-02 RMM: 5 -0.316690961272E+03 0.58703E-04 -0.12081E-04 4000 0.319E-02 0.649E-02 RMM: 6 -0.316690962397E+03 -0.11243E-05 -0.37662E-05 2793 0.179E-02 1647 T= 6951. E= 0.68123370E+03 F= 0.62373154E+03 E0= 0.65128894E+03 EK= 0.57502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317476227754E+03 -0.78527E+00 -0.19676E-01 7620 0.249E+01 0.317E-01 RMM: 2 -0.317511782639E+03 -0.35555E-01 -0.14198E-01 4770 0.935E-01 0.184E+00 RMM: 3 -0.317487761281E+03 0.24021E-01 -0.19453E-02 5419 0.321E-01 0.266E-01 RMM: 4 -0.317487219383E+03 0.54190E-03 -0.18556E-03 5151 0.854E-02 0.892E-02 RMM: 5 -0.317487173665E+03 0.45719E-04 -0.20493E-04 3913 0.348E-02 0.866E-02 RMM: 6 -0.317487130005E+03 0.43660E-04 -0.52270E-05 3198 0.210E-02 0.480E-02 RMM: 7 -0.317487143323E+03 -0.13318E-04 -0.31070E-05 2624 0.168E-02 1648 T= 6667. E= 0.67803052E+03 F= 0.62287956E+03 E0= 0.65046044E+03 EK= 0.55151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318135485998E+03 -0.64836E+00 -0.19548E-01 7704 0.243E+01 0.298E-01 RMM: 2 -0.318160156666E+03 -0.24671E-01 -0.13874E-01 4677 0.927E-01 0.135E+00 RMM: 3 -0.318147263687E+03 0.12893E-01 -0.18444E-02 5453 0.305E-01 0.318E-01 RMM: 4 -0.318146449125E+03 0.81456E-03 -0.17291E-03 5015 0.873E-02 0.895E-02 RMM: 5 -0.318146450972E+03 -0.18466E-05 -0.23604E-04 3936 0.361E-02 0.105E-01 RMM: 6 -0.318146375094E+03 0.75878E-04 -0.55261E-05 3254 0.212E-02 0.393E-02 RMM: 7 -0.318146381699E+03 -0.66048E-05 -0.25071E-05 2560 0.153E-02 1649 T= 6303. E= 0.67430683E+03 F= 0.62216798E+03 E0= 0.64977786E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318699686725E+03 -0.55331E+00 -0.18510E-01 7656 0.238E+01 0.210E-01 RMM: 2 -0.318717092906E+03 -0.17406E-01 -0.13040E-01 4704 0.876E-01 0.922E-01 RMM: 3 -0.318710980333E+03 0.61126E-02 -0.15909E-02 5734 0.253E-01 0.179E-01 RMM: 4 -0.318710625144E+03 0.35519E-03 -0.94559E-04 4899 0.664E-02 0.953E-02 RMM: 5 -0.318710594076E+03 0.31068E-04 -0.13769E-04 3880 0.327E-02 0.823E-02 RMM: 6 -0.318710547600E+03 0.46476E-04 -0.38067E-05 2961 0.182E-02 0.339E-02 RMM: 7 -0.318710553180E+03 -0.55797E-05 -0.22548E-05 2538 0.152E-02 1650 T= 5993. E= 0.67113038E+03 F= 0.62155522E+03 E0= 0.64919477E+03 EK= 0.49575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319215283436E+03 -0.50474E+00 -0.18289E-01 7860 0.234E+01 0.234E-01 RMM: 2 -0.319236851632E+03 -0.21568E-01 -0.12979E-01 4723 0.876E-01 0.122E+00 RMM: 3 -0.319226419270E+03 0.10432E-01 -0.15999E-02 5649 0.256E-01 0.197E-01 RMM: 4 -0.319226025227E+03 0.39404E-03 -0.11281E-03 4875 0.728E-02 0.986E-02 RMM: 5 -0.319225995668E+03 0.29560E-04 -0.16699E-04 3896 0.320E-02 0.882E-02 RMM: 6 -0.319225942791E+03 0.52877E-04 -0.42646E-05 3066 0.194E-02 0.327E-02 RMM: 7 -0.319225944706E+03 -0.19150E-05 -0.16228E-05 2510 0.126E-02 1651 T= 5831. E= 0.66923005E+03 F= 0.62099568E+03 E0= 0.64866269E+03 EK= 0.48234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319710693815E+03 -0.48475E+00 -0.19092E-01 7776 0.233E+01 0.177E-01 RMM: 2 -0.319727421716E+03 -0.16728E-01 -0.13856E-01 4677 0.897E-01 0.770E-01 RMM: 3 -0.319722943819E+03 0.44779E-02 -0.16526E-02 5895 0.241E-01 0.175E-01 RMM: 4 -0.319722507986E+03 0.43583E-03 -0.80685E-04 5026 0.648E-02 0.812E-02 RMM: 5 -0.319722474990E+03 0.32996E-04 -0.11828E-04 3779 0.298E-02 0.668E-02 RMM: 6 -0.319722446151E+03 0.28839E-04 -0.29646E-05 2685 0.164E-02 0.325E-02 RMM: 7 -0.319722449367E+03 -0.32162E-05 -0.20690E-05 2514 0.144E-02 1652 T= 5857. E= 0.66891527E+03 F= 0.62046030E+03 E0= 0.64815050E+03 EK= 0.48455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320195069774E+03 -0.47262E+00 -0.18331E-01 7836 0.235E+01 0.168E-01 RMM: 2 -0.320208706717E+03 -0.13637E-01 -0.10308E-01 4775 0.773E-01 0.811E-01 RMM: 3 -0.320204002755E+03 0.47040E-02 -0.12239E-02 5878 0.209E-01 0.126E-01 RMM: 4 -0.320203760236E+03 0.24252E-03 -0.59879E-04 4702 0.567E-02 0.986E-02 RMM: 5 -0.320203700704E+03 0.59532E-04 -0.92571E-05 3577 0.277E-02 0.595E-02 RMM: 6 -0.320203681759E+03 0.18945E-04 -0.28183E-05 2633 0.161E-02 1653 T= 6065. E= 0.67011982E+03 F= 0.61994611E+03 E0= 0.64765347E+03 EK= 0.50174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320639556332E+03 -0.43586E+00 -0.18635E-01 7776 0.240E+01 0.208E-01 RMM: 2 -0.320656464689E+03 -0.16908E-01 -0.96098E-02 4880 0.750E-01 0.112E+00 RMM: 3 -0.320647748992E+03 0.87157E-02 -0.11673E-02 5541 0.227E-01 0.205E-01 RMM: 4 -0.320647386680E+03 0.36231E-03 -0.89321E-04 4709 0.640E-02 0.771E-02 RMM: 5 -0.320647352547E+03 0.34133E-04 -0.11571E-04 3901 0.275E-02 0.663E-02 RMM: 6 -0.320647326953E+03 0.25595E-04 -0.25427E-05 2567 0.152E-02 0.439E-02 RMM: 7 -0.320647334569E+03 -0.76159E-05 -0.26156E-05 2565 0.159E-02 1654 T= 6397. E= 0.67239743E+03 F= 0.61947563E+03 E0= 0.64719457E+03 EK= 0.52922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321006732353E+03 -0.35941E+00 -0.19636E-01 7668 0.246E+01 0.223E-01 RMM: 2 -0.321024574369E+03 -0.17842E-01 -0.97077E-02 4908 0.773E-01 0.119E+00 RMM: 3 -0.321014778455E+03 0.97959E-02 -0.12036E-02 5532 0.232E-01 0.192E-01 RMM: 4 -0.321014484600E+03 0.29385E-03 -0.97029E-04 4712 0.680E-02 0.102E-01 RMM: 5 -0.321014439205E+03 0.45396E-04 -0.14443E-04 3854 0.320E-02 0.792E-02 RMM: 6 -0.321014398413E+03 0.40791E-04 -0.33427E-05 2838 0.176E-02 0.335E-02 RMM: 7 -0.321014400444E+03 -0.20303E-05 -0.19895E-05 2508 0.143E-02 1655 T= 6747. E= 0.67490657E+03 F= 0.61908773E+03 E0= 0.64681235E+03 EK= 0.55819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321255783791E+03 -0.24139E+00 -0.21022E-01 7812 0.250E+01 0.184E-01 RMM: 2 -0.321270989929E+03 -0.15206E-01 -0.11321E-01 4865 0.807E-01 0.878E-01 RMM: 3 -0.321265660583E+03 0.53293E-02 -0.13440E-02 5798 0.220E-01 0.152E-01 RMM: 4 -0.321265368006E+03 0.29258E-03 -0.72129E-04 4723 0.613E-02 0.102E-01 RMM: 5 -0.321265294754E+03 0.73252E-04 -0.10823E-04 3731 0.287E-02 0.640E-02 RMM: 6 -0.321265271530E+03 0.23224E-04 -0.27998E-05 2606 0.160E-02 0.388E-02 RMM: 7 -0.321265270220E+03 0.13107E-05 -0.20828E-05 2521 0.138E-02 1656 T= 6982. E= 0.67657846E+03 F= 0.61882165E+03 E0= 0.64654768E+03 EK= 0.57757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321369229834E+03 -0.10396E+00 -0.21586E-01 7740 0.251E+01 0.149E-01 RMM: 2 -0.321384065445E+03 -0.14836E-01 -0.13082E-01 4758 0.864E-01 0.653E-01 RMM: 3 -0.321380891548E+03 0.31739E-02 -0.15067E-02 6104 0.216E-01 0.133E-01 RMM: 4 -0.321380557076E+03 0.33447E-03 -0.69263E-04 4653 0.659E-02 0.906E-02 RMM: 5 -0.321380502865E+03 0.54212E-04 -0.89471E-05 3568 0.287E-02 0.508E-02 RMM: 6 -0.321380493338E+03 0.95269E-05 -0.23145E-05 2532 0.141E-02 1657 T= 6999. E= 0.67659412E+03 F= 0.61869649E+03 E0= 0.64642120E+03 EK= 0.57898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321361942301E+03 0.18561E-01 -0.21754E-01 7488 0.248E+01 0.174E-01 RMM: 2 -0.321381054494E+03 -0.19112E-01 -0.15238E-01 4719 0.924E-01 0.863E-01 RMM: 3 -0.321375495520E+03 0.55590E-02 -0.17940E-02 5898 0.245E-01 0.132E-01 RMM: 4 -0.321375133757E+03 0.36176E-03 -0.80108E-04 4919 0.646E-02 0.979E-02 RMM: 5 -0.321375073192E+03 0.60565E-04 -0.10183E-04 3827 0.288E-02 0.550E-02 RMM: 6 -0.321375060502E+03 0.12690E-04 -0.23582E-05 2539 0.145E-02 1658 T= 6793. E= 0.67489507E+03 F= 0.61869715E+03 E0= 0.64641971E+03 EK= 0.56198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321290263366E+03 0.84810E-01 -0.20151E-01 7584 0.243E+01 0.261E-01 RMM: 2 -0.321314144627E+03 -0.23881E-01 -0.11612E-01 4744 0.846E-01 0.141E+00 RMM: 3 -0.321299986172E+03 0.14158E-01 -0.15161E-02 5421 0.278E-01 0.246E-01 RMM: 4 -0.321299520702E+03 0.46547E-03 -0.13662E-03 4842 0.767E-02 0.790E-02 RMM: 5 -0.321299505325E+03 0.15377E-04 -0.15669E-04 4063 0.300E-02 1659 T= 6460. E= 0.67221430E+03 F= 0.61877323E+03 E0= 0.64649363E+03 EK= 0.53441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321210904968E+03 0.88616E-01 -0.18558E-01 7956 0.236E+01 0.195E-01 RMM: 2 -0.321227047767E+03 -0.16143E-01 -0.11073E-01 4824 0.804E-01 0.938E-01 RMM: 3 -0.321220564190E+03 0.64836E-02 -0.13028E-02 5595 0.235E-01 0.204E-01 RMM: 4 -0.321220180672E+03 0.38352E-03 -0.84999E-04 4800 0.634E-02 0.827E-02 RMM: 5 -0.321220138764E+03 0.41907E-04 -0.10578E-04 3997 0.272E-02 0.684E-02 RMM: 6 -0.321220118698E+03 0.20066E-04 -0.24285E-05 2553 0.144E-02 0.581E-02 RMM: 7 -0.321220135112E+03 -0.16414E-04 -0.72154E-05 3612 0.208E-02 1660 T= 6133. E= 0.66959657E+03 F= 0.61885876E+03 E0= 0.64657862E+03 EK= 0.50738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321189914857E+03 0.30204E-01 -0.17718E-01 7728 0.231E+01 0.237E-01 RMM: 2 -0.321205912813E+03 -0.15998E-01 -0.11007E-01 4732 0.820E-01 0.100E+00 RMM: 3 -0.321199004479E+03 0.69083E-02 -0.13303E-02 5702 0.232E-01 0.174E-01 RMM: 4 -0.321198859340E+03 0.14514E-03 -0.10430E-03 4754 0.743E-02 0.179E-01 RMM: 5 -0.321198695109E+03 0.16423E-03 -0.20036E-04 3872 0.376E-02 0.925E-02 RMM: 6 -0.321198639091E+03 0.56018E-04 -0.50661E-05 3246 0.211E-02 0.248E-02 RMM: 7 -0.321198649468E+03 -0.10377E-04 -0.16405E-05 2514 0.125E-02 1661 T= 5923. E= 0.66789517E+03 F= 0.61889237E+03 E0= 0.64661296E+03 EK= 0.49003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321268854725E+03 -0.70216E-01 -0.16683E-01 7728 0.229E+01 0.165E-01 RMM: 2 -0.321282833909E+03 -0.13979E-01 -0.11924E-01 4851 0.829E-01 0.698E-01 RMM: 3 -0.321279358302E+03 0.34756E-02 -0.13635E-02 6017 0.210E-01 0.138E-01 RMM: 4 -0.321279029929E+03 0.32837E-03 -0.61933E-04 4755 0.595E-02 0.100E-01 RMM: 5 -0.321278955093E+03 0.74835E-04 -0.93242E-05 3633 0.285E-02 0.601E-02 RMM: 6 -0.321278936391E+03 0.18702E-04 -0.28510E-05 2616 0.156E-02 1662 T= 5891. E= 0.66756772E+03 F= 0.61883028E+03 E0= 0.64655373E+03 EK= 0.48737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321466864990E+03 -0.18791E+00 -0.17541E-01 7632 0.231E+01 0.212E-01 RMM: 2 -0.321486726710E+03 -0.19862E-01 -0.12627E-01 4829 0.852E-01 0.111E+00 RMM: 3 -0.321477660040E+03 0.90667E-02 -0.14421E-02 5620 0.240E-01 0.200E-01 RMM: 4 -0.321477268806E+03 0.39123E-03 -0.96736E-04 4841 0.664E-02 0.810E-02 RMM: 5 -0.321477233855E+03 0.34952E-04 -0.13304E-04 4019 0.280E-02 0.746E-02 RMM: 6 -0.321477202816E+03 0.31038E-04 -0.28904E-05 2695 0.159E-02 0.477E-02 RMM: 7 -0.321477226908E+03 -0.24091E-04 -0.58280E-05 3373 0.214E-02 0.840E-02 RMM: 8 -0.321477179777E+03 0.47131E-04 -0.41818E-05 2975 0.183E-02 0.275E-02 RMM: 9 -0.321477177650E+03 0.21270E-05 -0.12418E-05 2474 0.103E-02 1663 T= 6046. E= 0.66867620E+03 F= 0.61865615E+03 E0= 0.64638290E+03 EK= 0.50020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321771613858E+03 -0.29443E+00 -0.17291E-01 7692 0.236E+01 0.277E-01 RMM: 2 -0.321792624871E+03 -0.21011E-01 -0.11288E-01 4917 0.824E-01 0.132E+00 RMM: 3 -0.321780359682E+03 0.12265E-01 -0.13067E-02 5492 0.245E-01 0.200E-01 RMM: 4 -0.321780200348E+03 0.15933E-03 -0.14324E-03 4863 0.853E-02 0.180E-01 RMM: 5 -0.321780067397E+03 0.13295E-03 -0.24523E-04 3878 0.382E-02 0.129E-01 RMM: 6 -0.321779950020E+03 0.11738E-03 -0.70561E-05 3477 0.245E-02 0.268E-02 RMM: 7 -0.321779951304E+03 -0.12841E-05 -0.16483E-05 2516 0.120E-02 1664 T= 6347. E= 0.67089363E+03 F= 0.61838292E+03 E0= 0.64611463E+03 EK= 0.52511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322133715249E+03 -0.35377E+00 -0.17553E-01 7872 0.242E+01 0.192E-01 RMM: 2 -0.322146201634E+03 -0.12486E-01 -0.90701E-02 5095 0.735E-01 0.841E-01 RMM: 3 -0.322141364294E+03 0.48373E-02 -0.97527E-03 5683 0.195E-01 0.173E-01 RMM: 4 -0.322141101573E+03 0.26272E-03 -0.67381E-04 4646 0.595E-02 0.104E-01 RMM: 5 -0.322141028730E+03 0.72843E-04 -0.11303E-04 3792 0.277E-02 0.697E-02 RMM: 6 -0.322141001136E+03 0.27593E-04 -0.25500E-05 2610 0.151E-02 0.423E-02 RMM: 7 -0.322141000832E+03 0.30432E-06 -0.35417E-05 2765 0.175E-02 1665 T= 6700. E= 0.67348009E+03 F= 0.61805640E+03 E0= 0.64579392E+03 EK= 0.55424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322477916611E+03 -0.33692E+00 -0.18598E-01 7968 0.247E+01 0.201E-01 RMM: 2 -0.322491551829E+03 -0.13635E-01 -0.11212E-01 5082 0.811E-01 0.783E-01 RMM: 3 -0.322487464774E+03 0.40871E-02 -0.11903E-02 5868 0.195E-01 0.139E-01 RMM: 4 -0.322487318822E+03 0.14595E-03 -0.83658E-04 4713 0.711E-02 0.164E-01 RMM: 5 -0.322487141008E+03 0.17781E-03 -0.15339E-04 3843 0.323E-02 0.643E-02 RMM: 6 -0.322487117180E+03 0.23828E-04 -0.24358E-05 2652 0.149E-02 0.326E-02 RMM: 7 -0.322487114898E+03 0.22818E-05 -0.15752E-05 2488 0.119E-02 1666 T= 6968. E= 0.67539176E+03 F= 0.61774958E+03 E0= 0.64549322E+03 EK= 0.57642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322727781211E+03 -0.24066E+00 -0.20304E-01 7848 0.250E+01 0.187E-01 RMM: 2 -0.322741696310E+03 -0.13915E-01 -0.12413E-01 5037 0.845E-01 0.676E-01 RMM: 3 -0.322738493459E+03 0.32029E-02 -0.13118E-02 5931 0.204E-01 0.120E-01 RMM: 4 -0.322738308065E+03 0.18539E-03 -0.71186E-04 4681 0.640E-02 0.154E-01 RMM: 5 -0.322738152282E+03 0.15578E-03 -0.13369E-04 3845 0.317E-02 0.664E-02 RMM: 6 -0.322738126873E+03 0.25409E-04 -0.29246E-05 2748 0.162E-02 0.393E-02 RMM: 7 -0.322738122664E+03 0.42088E-05 -0.25809E-05 2556 0.149E-02 1667 T= 7031. E= 0.67570722E+03 F= 0.61754285E+03 E0= 0.64529286E+03 EK= 0.58164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322824394510E+03 -0.86268E-01 -0.20067E-01 7692 0.249E+01 0.193E-01 RMM: 2 -0.322838128001E+03 -0.13733E-01 -0.11628E-01 4878 0.832E-01 0.741E-01 RMM: 3 -0.322834434394E+03 0.36936E-02 -0.13529E-02 5942 0.215E-01 0.142E-01 RMM: 4 -0.322834213761E+03 0.22063E-03 -0.74338E-04 4699 0.667E-02 0.148E-01 RMM: 5 -0.322834071532E+03 0.14223E-03 -0.12522E-04 3743 0.299E-02 0.688E-02 RMM: 6 -0.322834046454E+03 0.25077E-04 -0.27963E-05 2694 0.161E-02 0.349E-02 RMM: 7 -0.322834050836E+03 -0.43814E-05 -0.19513E-05 2535 0.133E-02 1668 T= 6854. E= 0.67419867E+03 F= 0.61749680E+03 E0= 0.64525268E+03 EK= 0.56702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322746669273E+03 0.87377E-01 -0.19333E-01 7752 0.245E+01 0.158E-01 RMM: 2 -0.322757334467E+03 -0.10665E-01 -0.99563E-02 4835 0.759E-01 0.529E-01 RMM: 3 -0.322755395279E+03 0.19392E-02 -0.11605E-02 6030 0.199E-01 0.109E-01 RMM: 4 -0.322755276443E+03 0.11884E-03 -0.51881E-04 4574 0.580E-02 0.152E-01 RMM: 5 -0.322755118494E+03 0.15795E-03 -0.10411E-04 3639 0.296E-02 0.585E-02 RMM: 6 -0.322755103798E+03 0.14696E-04 -0.27886E-05 2658 0.160E-02 1669 T= 6513. E= 0.67151377E+03 F= 0.61763207E+03 E0= 0.64539229E+03 EK= 0.53882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322515167174E+03 0.23995E+00 -0.18546E-01 7680 0.238E+01 0.190E-01 RMM: 2 -0.322530561855E+03 -0.15395E-01 -0.10332E-01 4815 0.762E-01 0.934E-01 RMM: 3 -0.322524133144E+03 0.64287E-02 -0.12382E-02 5613 0.228E-01 0.140E-01 RMM: 4 -0.322523982357E+03 0.15079E-03 -0.75099E-04 4777 0.592E-02 0.113E-01 RMM: 5 -0.322523885234E+03 0.97122E-04 -0.10395E-04 3859 0.276E-02 0.535E-02 RMM: 6 -0.322523888032E+03 -0.27978E-05 -0.33103E-05 2805 0.169E-02 1670 T= 6144. E= 0.66875545E+03 F= 0.61792676E+03 E0= 0.64568870E+03 EK= 0.50829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322177657618E+03 0.34623E+00 -0.17197E-01 7788 0.232E+01 0.265E-01 RMM: 2 -0.322200486140E+03 -0.22829E-01 -0.92216E-02 4872 0.727E-01 0.146E+00 RMM: 3 -0.322185032937E+03 0.15453E-01 -0.12823E-02 5395 0.264E-01 0.234E-01 RMM: 4 -0.322184658361E+03 0.37458E-03 -0.12625E-03 4777 0.741E-02 0.979E-02 RMM: 5 -0.322184649508E+03 0.88532E-05 -0.15798E-04 3915 0.317E-02 1671 T= 5872. E= 0.66691419E+03 F= 0.61833682E+03 E0= 0.64609681E+03 EK= 0.48577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321770743438E+03 0.41391E+00 -0.16974E-01 7716 0.229E+01 0.278E-01 RMM: 2 -0.321795979277E+03 -0.25236E-01 -0.10140E-01 4967 0.746E-01 0.155E+00 RMM: 3 -0.321779110755E+03 0.16869E-01 -0.13499E-02 5408 0.266E-01 0.306E-01 RMM: 4 -0.321778471873E+03 0.63888E-03 -0.14255E-03 4835 0.785E-02 0.944E-02 RMM: 5 -0.321778434545E+03 0.37329E-04 -0.17248E-04 4011 0.327E-02 0.937E-02 RMM: 6 -0.321778389823E+03 0.44722E-04 -0.48713E-05 3111 0.202E-02 0.632E-02 RMM: 7 -0.321778448787E+03 -0.58965E-04 -0.92655E-05 3852 0.240E-02 0.115E-01 RMM: 8 -0.321778366729E+03 0.82059E-04 -0.75424E-05 3721 0.240E-02 0.311E-02 RMM: 9 -0.321778364636E+03 0.20924E-05 -0.13531E-05 2499 0.110E-02 1672 T= 5774. E= 0.66658719E+03 F= 0.61882075E+03 E0= 0.64657526E+03 EK= 0.47766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321320591090E+03 0.45778E+00 -0.18708E-01 7800 0.229E+01 0.209E-01 RMM: 2 -0.321336989151E+03 -0.16398E-01 -0.12362E-01 4718 0.819E-01 0.876E-01 RMM: 3 -0.321331031387E+03 0.59578E-02 -0.14088E-02 5793 0.231E-01 0.149E-01 RMM: 4 -0.321331054919E+03 -0.23532E-04 -0.10067E-03 4848 0.762E-02 0.227E-01 RMM: 5 -0.321330716099E+03 0.33882E-03 -0.22831E-04 3884 0.397E-02 0.720E-02 RMM: 6 -0.321330685217E+03 0.30882E-04 -0.46419E-05 3153 0.207E-02 0.287E-02 RMM: 7 -0.321330696560E+03 -0.11342E-04 -0.17848E-05 2527 0.130E-02 1673 T= 5877. E= 0.66797092E+03 F= 0.61935169E+03 E0= 0.64709675E+03 EK= 0.48619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320833216877E+03 0.49747E+00 -0.18386E-01 8388 0.233E+01 0.176E-01 RMM: 2 -0.320845603505E+03 -0.12387E-01 -0.10870E-01 4964 0.760E-01 0.626E-01 RMM: 3 -0.320842492185E+03 0.31113E-02 -0.11598E-02 6027 0.204E-01 0.147E-01 RMM: 4 -0.320842292851E+03 0.19933E-03 -0.60458E-04 4658 0.599E-02 0.140E-01 RMM: 5 -0.320842151168E+03 0.14168E-03 -0.11622E-04 3756 0.283E-02 0.696E-02 RMM: 6 -0.320842132484E+03 0.18684E-04 -0.33553E-05 2880 0.174E-02 1674 T= 6161. E= 0.67089180E+03 F= 0.61992763E+03 E0= 0.64766019E+03 EK= 0.50964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320281982945E+03 0.56017E+00 -0.20205E-01 8028 0.239E+01 0.300E-01 RMM: 2 -0.320308255882E+03 -0.26273E-01 -0.13751E-01 4877 0.872E-01 0.145E+00 RMM: 3 -0.320293293268E+03 0.14963E-01 -0.17363E-02 5500 0.289E-01 0.259E-01 RMM: 4 -0.320292837685E+03 0.45558E-03 -0.15560E-03 4899 0.825E-02 0.140E-01 RMM: 5 -0.320292780779E+03 0.56906E-04 -0.23294E-04 3908 0.376E-02 0.124E-01 RMM: 6 -0.320292682830E+03 0.97949E-04 -0.75988E-05 3499 0.251E-02 0.489E-02 RMM: 7 -0.320292692851E+03 -0.10021E-04 -0.28989E-05 2664 0.163E-02 1675 T= 6549. E= 0.67474744E+03 F= 0.62056725E+03 E0= 0.64828577E+03 EK= 0.54180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319642200964E+03 0.65048E+00 -0.21829E-01 8352 0.246E+01 0.320E-01 RMM: 2 -0.319671645068E+03 -0.29444E-01 -0.15000E-01 4904 0.913E-01 0.156E+00 RMM: 3 -0.319654242164E+03 0.17403E-01 -0.18281E-02 5468 0.303E-01 0.283E-01 RMM: 4 -0.319653732415E+03 0.50975E-03 -0.18832E-03 5064 0.928E-02 0.172E-01 RMM: 5 -0.319653656216E+03 0.76199E-04 -0.30174E-04 3914 0.426E-02 0.143E-01 RMM: 6 -0.319653514511E+03 0.14170E-03 -0.91082E-05 3643 0.276E-02 0.368E-02 RMM: 7 -0.319653509907E+03 0.46049E-05 -0.16917E-05 2528 0.117E-02 1676 T= 6913. E= 0.67848956E+03 F= 0.62129891E+03 E0= 0.64900409E+03 EK= 0.57191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318892425285E+03 0.76109E+00 -0.22936E-01 8424 0.251E+01 0.266E-01 RMM: 2 -0.318916724965E+03 -0.24300E-01 -0.16527E-01 4894 0.945E-01 0.118E+00 RMM: 3 -0.318906271401E+03 0.10454E-01 -0.18274E-02 5679 0.279E-01 0.224E-01 RMM: 4 -0.318905890713E+03 0.38069E-03 -0.13316E-03 4940 0.807E-02 0.158E-01 RMM: 5 -0.318905769293E+03 0.12142E-03 -0.21833E-04 3894 0.358E-02 0.119E-01 RMM: 6 -0.318905676750E+03 0.92544E-04 -0.79765E-05 3552 0.257E-02 0.458E-02 RMM: 7 -0.318905695959E+03 -0.19209E-04 -0.35489E-05 2813 0.170E-02 1677 T= 7103. E= 0.68090361E+03 F= 0.62214193E+03 E0= 0.64983737E+03 EK= 0.58762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318046378928E+03 0.85930E+00 -0.23106E-01 8292 0.252E+01 0.252E-01 RMM: 2 -0.318067380701E+03 -0.21002E-01 -0.16518E-01 4920 0.934E-01 0.971E-01 RMM: 3 -0.318060159580E+03 0.72211E-02 -0.18308E-02 5921 0.265E-01 0.190E-01 RMM: 4 -0.318059862899E+03 0.29668E-03 -0.11824E-03 4861 0.783E-02 0.183E-01 RMM: 5 -0.318059699019E+03 0.16388E-03 -0.21682E-04 3897 0.376E-02 0.114E-01 RMM: 6 -0.318059615339E+03 0.83680E-04 -0.65677E-05 3394 0.240E-02 0.365E-02 RMM: 7 -0.318059623964E+03 -0.86254E-05 -0.23637E-05 2570 0.147E-02 1678 T= 7031. E= 0.68125230E+03 F= 0.62308726E+03 E0= 0.65077938E+03 EK= 0.58165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317153415351E+03 0.90620E+00 -0.23268E-01 8148 0.249E+01 0.232E-01 RMM: 2 -0.317176958068E+03 -0.23543E-01 -0.18701E-01 4925 0.997E-01 0.979E-01 RMM: 3 -0.317169494263E+03 0.74638E-02 -0.20630E-02 6040 0.267E-01 0.179E-01 RMM: 4 -0.317169066096E+03 0.42817E-03 -0.10686E-03 4878 0.769E-02 0.163E-01 RMM: 5 -0.317168900086E+03 0.16601E-03 -0.18739E-04 3912 0.352E-02 0.948E-02 RMM: 6 -0.317168855571E+03 0.44515E-04 -0.67761E-05 3393 0.234E-02 0.580E-02 RMM: 7 -0.317168887590E+03 -0.32019E-04 -0.62622E-05 3431 0.207E-02 0.968E-02 RMM: 8 -0.317168825157E+03 0.62433E-04 -0.55999E-05 3374 0.212E-02 0.299E-02 RMM: 9 -0.317168823041E+03 0.21157E-05 -0.13778E-05 2486 0.108E-02 1679 T= 6732. E= 0.67977645E+03 F= 0.62408308E+03 E0= 0.65177914E+03 EK= 0.55693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316301431691E+03 0.86739E+00 -0.22900E-01 8256 0.243E+01 0.223E-01 RMM: 2 -0.316323433002E+03 -0.22001E-01 -0.18250E-01 4963 0.973E-01 0.900E-01 RMM: 3 -0.316317018949E+03 0.64141E-02 -0.19213E-02 5987 0.257E-01 0.174E-01 RMM: 4 -0.316316627840E+03 0.39111E-03 -0.99458E-04 4869 0.734E-02 0.165E-01 RMM: 5 -0.316316450418E+03 0.17742E-03 -0.19404E-04 3909 0.377E-02 0.899E-02 RMM: 6 -0.316316413397E+03 0.37021E-04 -0.81218E-05 3573 0.256E-02 0.608E-02 RMM: 7 -0.316316436766E+03 -0.23369E-04 -0.52385E-05 3226 0.205E-02 0.925E-02 RMM: 8 -0.316316380475E+03 0.56290E-04 -0.33731E-05 2768 0.179E-02 0.250E-02 RMM: 9 -0.316316379616E+03 0.85926E-06 -0.11665E-05 2467 0.945E-03 1680 T= 6341. E= 0.67750698E+03 F= 0.62504781E+03 E0= 0.65275558E+03 EK= 0.52459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315577647886E+03 0.73873E+00 -0.20570E-01 8256 0.237E+01 0.214E-01 RMM: 2 -0.315595911179E+03 -0.18263E-01 -0.14998E-01 5002 0.891E-01 0.855E-01 RMM: 3 -0.315590392387E+03 0.55188E-02 -0.15675E-02 6003 0.235E-01 0.190E-01 RMM: 4 -0.315589954701E+03 0.43769E-03 -0.82166E-04 4767 0.680E-02 0.131E-01 RMM: 5 -0.315589843617E+03 0.11108E-03 -0.16338E-04 3899 0.352E-02 0.922E-02 RMM: 6 -0.315589819900E+03 0.23717E-04 -0.71228E-05 3475 0.243E-02 0.754E-02 RMM: 7 -0.315589847293E+03 -0.27393E-04 -0.73936E-05 3619 0.231E-02 0.106E-01 RMM: 8 -0.315589771158E+03 0.76134E-04 -0.50186E-05 3218 0.210E-02 0.292E-02 RMM: 9 -0.315589770425E+03 0.73369E-06 -0.14957E-05 2486 0.110E-02 1681 T= 6009. E= 0.67560805E+03 F= 0.62589467E+03 E0= 0.65362074E+03 EK= 0.49713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315050147703E+03 0.53962E+00 -0.18935E-01 8448 0.233E+01 0.215E-01 RMM: 2 -0.315064221141E+03 -0.14073E-01 -0.10988E-01 5257 0.766E-01 0.844E-01 RMM: 3 -0.315059001724E+03 0.52194E-02 -0.10388E-02 5933 0.196E-01 0.181E-01 RMM: 4 -0.315058711331E+03 0.29039E-03 -0.69213E-04 4667 0.616E-02 0.141E-01 RMM: 5 -0.315058573707E+03 0.13762E-03 -0.16234E-04 3880 0.349E-02 0.836E-02 RMM: 6 -0.315058568698E+03 0.50090E-05 -0.81258E-05 3576 0.255E-02 1682 T= 5843. E= 0.67489236E+03 F= 0.62655361E+03 E0= 0.65430355E+03 EK= 0.48339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314750454965E+03 0.30812E+00 -0.18789E-01 8172 0.233E+01 0.308E-01 RMM: 2 -0.314774835840E+03 -0.24381E-01 -0.10558E-01 5185 0.754E-01 0.150E+00 RMM: 3 -0.314758558624E+03 0.16277E-01 -0.12752E-02 5398 0.257E-01 0.261E-01 RMM: 4 -0.314758177588E+03 0.38104E-03 -0.14189E-03 4738 0.788E-02 0.152E-01 RMM: 5 -0.314758067929E+03 0.10966E-03 -0.26436E-04 3912 0.425E-02 0.127E-01 RMM: 6 -0.314757992382E+03 0.75547E-04 -0.12420E-04 3880 0.309E-02 0.852E-02 RMM: 7 -0.314758061163E+03 -0.68781E-04 -0.12924E-04 3892 0.311E-02 0.130E-01 RMM: 8 -0.314757951959E+03 0.10920E-03 -0.73754E-05 3535 0.251E-02 0.411E-02 RMM: 9 -0.314757946202E+03 0.57577E-05 -0.15430E-05 2535 0.115E-02 1683 T= 5890. E= 0.67571192E+03 F= 0.62698791E+03 E0= 0.65476538E+03 EK= 0.48724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314674609020E+03 0.83343E-01 -0.18566E-01 8004 0.236E+01 0.350E-01 RMM: 2 -0.314705514792E+03 -0.30906E-01 -0.99212E-02 5112 0.767E-01 0.182E+00 RMM: 3 -0.314681669710E+03 0.23845E-01 -0.14575E-02 5375 0.290E-01 0.316E-01 RMM: 4 -0.314681024632E+03 0.64508E-03 -0.19225E-03 4934 0.958E-02 0.138E-01 RMM: 5 -0.314681090175E+03 -0.65543E-04 -0.28777E-04 3912 0.403E-02 0.181E-01 RMM: 6 -0.314680861251E+03 0.22892E-03 -0.11180E-04 3827 0.308E-02 0.356E-02 RMM: 7 -0.314680874732E+03 -0.13482E-04 -0.33970E-05 2940 0.167E-02 1684 T= 6140. E= 0.67799282E+03 F= 0.62720252E+03 E0= 0.65501102E+03 EK= 0.50790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314764727262E+03 -0.83866E-01 -0.19340E-01 8088 0.243E+01 0.259E-01 RMM: 2 -0.314778721791E+03 -0.13995E-01 -0.90678E-02 5129 0.714E-01 0.985E-01 RMM: 3 -0.314771882406E+03 0.68394E-02 -0.99170E-03 5545 0.206E-01 0.207E-01 RMM: 4 -0.314771827362E+03 0.55044E-04 -0.11231E-03 4704 0.779E-02 0.216E-01 RMM: 5 -0.314771548615E+03 0.27875E-03 -0.24427E-04 3893 0.393E-02 0.114E-01 RMM: 6 -0.314771465873E+03 0.82742E-04 -0.64173E-05 3415 0.229E-02 0.491E-02 RMM: 7 -0.314771495863E+03 -0.29989E-04 -0.74894E-05 3705 0.230E-02 0.883E-02 RMM: 8 -0.314771444575E+03 0.51287E-04 -0.35180E-05 3016 0.186E-02 0.222E-02 RMM: 9 -0.314771446464E+03 -0.18882E-05 -0.94800E-06 2470 0.866E-03 1685 T= 6522. E= 0.68120766E+03 F= 0.62725159E+03 E0= 0.65509328E+03 EK= 0.53956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314921660506E+03 -0.15022E+00 -0.21160E-01 8004 0.251E+01 0.282E-01 RMM: 2 -0.314938594445E+03 -0.16934E-01 -0.11089E-01 5022 0.813E-01 0.109E+00 RMM: 3 -0.314930284884E+03 0.83096E-02 -0.12454E-02 5582 0.232E-01 0.212E-01 RMM: 4 -0.314930227855E+03 0.57028E-04 -0.13679E-03 4803 0.873E-02 0.234E-01 RMM: 5 -0.314929911545E+03 0.31631E-03 -0.28190E-04 3887 0.415E-02 0.120E-01 RMM: 6 -0.314929817371E+03 0.94174E-04 -0.75706E-05 3509 0.253E-02 0.396E-02 RMM: 7 -0.314929824587E+03 -0.72164E-05 -0.25638E-05 2598 0.147E-02 1686 T= 6903. E= 0.68434279E+03 F= 0.62723430E+03 E0= 0.65511005E+03 EK= 0.57108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315028409041E+03 -0.98592E-01 -0.21854E-01 8172 0.256E+01 0.264E-01 RMM: 2 -0.315041899597E+03 -0.13491E-01 -0.11242E-01 5155 0.788E-01 0.794E-01 RMM: 3 -0.315037412714E+03 0.44869E-02 -0.11884E-02 5749 0.213E-01 0.209E-01 RMM: 4 -0.315037427387E+03 -0.14673E-04 -0.11133E-03 4710 0.795E-02 0.266E-01 RMM: 5 -0.315036948331E+03 0.47906E-03 -0.29326E-04 3906 0.438E-02 0.858E-02 RMM: 6 -0.315036911123E+03 0.37208E-04 -0.53227E-05 3283 0.209E-02 0.539E-02 RMM: 7 -0.315036936091E+03 -0.24968E-04 -0.55068E-05 3317 0.199E-02 0.866E-02 RMM: 8 -0.315036888746E+03 0.47345E-04 -0.40456E-05 3011 0.195E-02 0.257E-02 RMM: 9 -0.315036893251E+03 -0.45053E-05 -0.14078E-05 2498 0.110E-02 1687 T= 7118. E= 0.68615468E+03 F= 0.62727057E+03 E0= 0.65518015E+03 EK= 0.58884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314992985655E+03 0.43903E-01 -0.23590E-01 8436 0.258E+01 0.256E-01 RMM: 2 -0.315006890873E+03 -0.13905E-01 -0.12762E-01 5111 0.824E-01 0.705E-01 RMM: 3 -0.315003137393E+03 0.37535E-02 -0.12943E-02 5826 0.218E-01 0.186E-01 RMM: 4 -0.315003206217E+03 -0.68824E-04 -0.10501E-03 4773 0.775E-02 0.276E-01 RMM: 5 -0.315002701886E+03 0.50433E-03 -0.30392E-04 3952 0.450E-02 0.975E-02 RMM: 6 -0.315002643459E+03 0.58427E-04 -0.64738E-05 3400 0.230E-02 0.457E-02 RMM: 7 -0.315002663282E+03 -0.19823E-04 -0.43146E-05 2956 0.183E-02 1688 T= 7058. E= 0.68583940E+03 F= 0.62745248E+03 E0= 0.65539368E+03 EK= 0.58387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314798633679E+03 0.20401E+00 -0.23254E-01 8532 0.254E+01 0.242E-01 RMM: 2 -0.314813592739E+03 -0.14959E-01 -0.13050E-01 5067 0.822E-01 0.741E-01 RMM: 3 -0.314809307830E+03 0.42849E-02 -0.13605E-02 5870 0.225E-01 0.195E-01 RMM: 4 -0.314809183685E+03 0.12415E-03 -0.96787E-04 4729 0.741E-02 0.222E-01 RMM: 5 -0.314808862641E+03 0.32104E-03 -0.23102E-04 3903 0.393E-02 0.904E-02 RMM: 6 -0.314808839453E+03 0.23189E-04 -0.73391E-05 3467 0.244E-02 0.729E-02 RMM: 7 -0.314808878530E+03 -0.39077E-04 -0.71927E-05 3597 0.225E-02 0.106E-01 RMM: 8 -0.314808805100E+03 0.73429E-04 -0.42214E-05 3111 0.202E-02 0.231E-02 RMM: 9 -0.314808807499E+03 -0.23989E-05 -0.11399E-05 2480 0.965E-03 1689 T= 6748. E= 0.68362244E+03 F= 0.62780101E+03 E0= 0.65577169E+03 EK= 0.55821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314494165703E+03 0.31464E+00 -0.22694E-01 8340 0.246E+01 0.217E-01 RMM: 2 -0.314509923094E+03 -0.15757E-01 -0.14792E-01 5014 0.867E-01 0.615E-01 RMM: 3 -0.314506581380E+03 0.33417E-02 -0.14943E-02 5929 0.228E-01 0.153E-01 RMM: 4 -0.314506490969E+03 0.90410E-04 -0.87946E-04 4777 0.724E-02 0.225E-01 RMM: 5 -0.314506164885E+03 0.32608E-03 -0.24673E-04 3943 0.424E-02 0.940E-02 RMM: 6 -0.314506131013E+03 0.33872E-04 -0.99883E-05 3723 0.280E-02 0.658E-02 RMM: 7 -0.314506129510E+03 0.15029E-05 -0.41494E-05 3011 0.188E-02 1690 T= 6327. E= 0.68060531E+03 F= 0.62826761E+03 E0= 0.65626506E+03 EK= 0.52338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314169969609E+03 0.33616E+00 -0.20716E-01 8712 0.238E+01 0.219E-01 RMM: 2 -0.314184355595E+03 -0.14386E-01 -0.12989E-01 5102 0.799E-01 0.652E-01 RMM: 3 -0.314180679274E+03 0.36763E-02 -0.12674E-02 5982 0.213E-01 0.180E-01 RMM: 4 -0.314180492753E+03 0.18652E-03 -0.78160E-04 4678 0.684E-02 0.193E-01 RMM: 5 -0.314180251869E+03 0.24088E-03 -0.28098E-04 4020 0.463E-02 0.930E-02 RMM: 6 -0.314180294234E+03 -0.42365E-04 -0.13391E-04 3873 0.315E-02 0.121E-01 RMM: 7 -0.314180257087E+03 0.37146E-04 -0.73037E-05 3569 0.250E-02 0.956E-02 RMM: 8 -0.314180198990E+03 0.58098E-04 -0.35370E-05 3022 0.185E-02 0.273E-02 RMM: 9 -0.314180208901E+03 -0.99113E-05 -0.16145E-05 2507 0.115E-02 1691 T= 5957. E= 0.67804960E+03 F= 0.62876763E+03 E0= 0.65679034E+03 EK= 0.49282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313899513952E+03 0.28069E+00 -0.20207E-01 8688 0.232E+01 0.207E-01 RMM: 2 -0.313914263783E+03 -0.14750E-01 -0.13045E-01 5152 0.785E-01 0.669E-01 RMM: 3 -0.313910083335E+03 0.41804E-02 -0.11309E-02 5949 0.207E-01 0.160E-01 RMM: 4 -0.313909974818E+03 0.10852E-03 -0.77092E-04 4675 0.676E-02 0.193E-01 RMM: 5 -0.313909741788E+03 0.23303E-03 -0.24503E-04 3930 0.432E-02 0.949E-02 RMM: 6 -0.313909717027E+03 0.24760E-04 -0.11588E-04 3848 0.303E-02 0.734E-02 RMM: 7 -0.313909731410E+03 -0.14383E-04 -0.39845E-05 3060 0.194E-02 1692 T= 5756. E= 0.67683860E+03 F= 0.62922147E+03 E0= 0.65726854E+03 EK= 0.47617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313730248941E+03 0.17947E+00 -0.19829E-01 8856 0.230E+01 0.236E-01 RMM: 2 -0.313744105665E+03 -0.13857E-01 -0.13210E-01 5350 0.769E-01 0.575E-01 RMM: 3 -0.313740729234E+03 0.33764E-02 -0.10487E-02 5997 0.194E-01 0.180E-01 RMM: 4 -0.313740774186E+03 -0.44951E-04 -0.85807E-04 4675 0.718E-02 0.261E-01 RMM: 5 -0.313740306211E+03 0.46797E-03 -0.33500E-04 4031 0.481E-02 0.817E-02 RMM: 6 -0.313740371314E+03 -0.65103E-04 -0.13455E-04 3872 0.311E-02 0.127E-01 RMM: 7 -0.313740308632E+03 0.62683E-04 -0.63748E-05 3464 0.231E-02 0.854E-02 RMM: 8 -0.313740263093E+03 0.45539E-04 -0.31395E-05 2953 0.172E-02 0.240E-02 RMM: 9 -0.313740275653E+03 -0.12560E-04 -0.14679E-05 2497 0.109E-02 1693 T= 5777. E= 0.67737055E+03 F= 0.62958092E+03 E0= 0.65765168E+03 EK= 0.47790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313662464255E+03 0.77799E-01 -0.21414E-01 8952 0.233E+01 0.226E-01 RMM: 2 -0.313678058819E+03 -0.15595E-01 -0.14514E-01 5214 0.799E-01 0.614E-01 RMM: 3 -0.313674096214E+03 0.39626E-02 -0.11910E-02 6041 0.205E-01 0.158E-01 RMM: 4 -0.313674130568E+03 -0.34354E-04 -0.91250E-04 4715 0.727E-02 0.245E-01 RMM: 5 -0.313673751544E+03 0.37902E-03 -0.26074E-04 3908 0.419E-02 0.101E-01 RMM: 6 -0.313673694713E+03 0.56831E-04 -0.84644E-05 3578 0.265E-02 0.489E-02 RMM: 7 -0.313673722049E+03 -0.27336E-04 -0.33026E-05 2887 0.171E-02 0.809E-02 RMM: 8 -0.313673679453E+03 0.42596E-04 -0.23345E-05 2590 0.161E-02 0.182E-02 RMM: 9 -0.313673681404E+03 -0.19506E-05 -0.75551E-06 2457 0.776E-03 1694 T= 6018. E= 0.67962411E+03 F= 0.62984068E+03 E0= 0.65793578E+03 EK= 0.49783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313660309040E+03 0.13370E-01 -0.23724E-01 9024 0.238E+01 0.255E-01 RMM: 2 -0.313677236856E+03 -0.16928E-01 -0.16177E-01 5308 0.833E-01 0.617E-01 RMM: 3 -0.313673150807E+03 0.40860E-02 -0.12674E-02 6033 0.210E-01 0.187E-01 RMM: 4 -0.313673266555E+03 -0.11575E-03 -0.10812E-03 4747 0.800E-02 0.292E-01 RMM: 5 -0.313672676398E+03 0.59016E-03 -0.36038E-04 4018 0.484E-02 0.824E-02 RMM: 6 -0.313672657328E+03 0.19070E-04 -0.78435E-05 3536 0.245E-02 1695 T= 6419. E= 0.68313617E+03 F= 0.63003503E+03 E0= 0.65815523E+03 EK= 0.53101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313661035161E+03 0.11641E-01 -0.26225E-01 8832 0.246E+01 0.379E-01 RMM: 2 -0.313695895263E+03 -0.34860E-01 -0.19088E-01 5270 0.931E-01 0.165E+00 RMM: 3 -0.313675443901E+03 0.20451E-01 -0.18696E-02 5457 0.303E-01 0.297E-01 RMM: 4 -0.313675126940E+03 0.31696E-03 -0.22458E-03 5031 0.103E-01 0.251E-01 RMM: 5 -0.313674843804E+03 0.28314E-03 -0.41752E-04 3953 0.474E-02 0.176E-01 RMM: 6 -0.313674649475E+03 0.19433E-03 -0.14927E-04 3875 0.335E-02 0.710E-02 RMM: 7 -0.313674686538E+03 -0.37064E-04 -0.94164E-05 3738 0.260E-02 0.103E-01 RMM: 8 -0.313674630019E+03 0.56520E-04 -0.55806E-05 3321 0.214E-02 0.497E-02 RMM: 9 -0.313674620083E+03 0.99361E-05 -0.21913E-05 2606 0.140E-02 1696 T= 6853. E= 0.68691646E+03 F= 0.63022516E+03 E0= 0.65837105E+03 EK= 0.56691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313604799574E+03 0.69830E-01 -0.29196E-01 8904 0.252E+01 0.356E-01 RMM: 2 -0.313638897203E+03 -0.34098E-01 -0.21249E-01 5239 0.979E-01 0.151E+00 RMM: 3 -0.313621211207E+03 0.17686E-01 -0.18744E-02 5491 0.298E-01 0.324E-01 RMM: 4 -0.313620751279E+03 0.45993E-03 -0.25419E-03 5184 0.115E-01 0.243E-01 RMM: 5 -0.313620546373E+03 0.20491E-03 -0.46357E-04 4056 0.518E-02 0.191E-01 RMM: 6 -0.313620292274E+03 0.25410E-03 -0.13711E-04 3865 0.320E-02 0.405E-02 RMM: 7 -0.313620307057E+03 -0.14782E-04 -0.45583E-05 3135 0.184E-02 1697 T= 7147. E= 0.68959739E+03 F= 0.63047112E+03 E0= 0.65864301E+03 EK= 0.59126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313471758079E+03 0.14853E+00 -0.30619E-01 9000 0.254E+01 0.318E-01 RMM: 2 -0.313498576862E+03 -0.26819E-01 -0.20939E-01 5322 0.976E-01 0.112E+00 RMM: 3 -0.313488288100E+03 0.10289E-01 -0.17379E-02 5777 0.266E-01 0.252E-01 RMM: 4 -0.313488108479E+03 0.17962E-03 -0.16313E-03 4901 0.925E-02 0.264E-01 RMM: 5 -0.313487669623E+03 0.43886E-03 -0.35407E-04 3907 0.447E-02 0.127E-01 RMM: 6 -0.313487585756E+03 0.83867E-04 -0.11348E-04 3800 0.289E-02 0.722E-02 RMM: 7 -0.313487631674E+03 -0.45918E-04 -0.91643E-05 3805 0.248E-02 0.113E-01 RMM: 8 -0.313487548904E+03 0.82770E-04 -0.54318E-05 3326 0.222E-02 0.318E-02 RMM: 9 -0.313487553765E+03 -0.48617E-05 -0.17878E-05 2539 0.124E-02 1698 T= 7166. E= 0.69007599E+03 F= 0.63079780E+03 E0= 0.65899412E+03 EK= 0.59278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313302302774E+03 0.18525E+00 -0.29397E-01 8964 0.251E+01 0.273E-01 RMM: 2 -0.313324572492E+03 -0.22270E-01 -0.20541E-01 5201 0.967E-01 0.781E-01 RMM: 3 -0.313318829056E+03 0.57434E-02 -0.17249E-02 6140 0.249E-01 0.179E-01 RMM: 4 -0.313318847526E+03 -0.18471E-04 -0.12506E-03 4885 0.856E-02 0.284E-01 RMM: 5 -0.313318308649E+03 0.53888E-03 -0.36403E-04 4007 0.477E-02 0.109E-01 RMM: 6 -0.313318266972E+03 0.41677E-04 -0.12942E-04 3871 0.309E-02 0.780E-02 RMM: 7 -0.313318296318E+03 -0.29346E-04 -0.60444E-05 3395 0.214E-02 0.102E-01 RMM: 8 -0.313318226541E+03 0.69777E-04 -0.35251E-05 2967 0.189E-02 0.255E-02 RMM: 9 -0.313318228755E+03 -0.22134E-05 -0.12309E-05 2487 0.985E-03 1699 T= 6902. E= 0.68826409E+03 F= 0.63116705E+03 E0= 0.65938481E+03 EK= 0.57097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313190492590E+03 0.12773E+00 -0.27463E-01 8988 0.244E+01 0.251E-01 RMM: 2 -0.313211653987E+03 -0.21161E-01 -0.19409E-01 5143 0.955E-01 0.748E-01 RMM: 3 -0.313206524467E+03 0.51295E-02 -0.17177E-02 6200 0.244E-01 0.187E-01 RMM: 4 -0.313206311822E+03 0.21264E-03 -0.10724E-03 4824 0.803E-02 0.241E-01 RMM: 5 -0.313205911299E+03 0.40052E-03 -0.33942E-04 4114 0.484E-02 0.944E-02 RMM: 6 -0.313205949498E+03 -0.38199E-04 -0.15899E-04 3878 0.336E-02 0.122E-01 RMM: 7 -0.313205921040E+03 0.28458E-04 -0.80518E-05 3659 0.254E-02 0.105E-01 RMM: 8 -0.313205848552E+03 0.72489E-04 -0.37376E-05 3065 0.187E-02 0.271E-02 RMM: 9 -0.313205851765E+03 -0.32130E-05 -0.13310E-05 2491 0.104E-02 1700 T= 6486. E= 0.68514197E+03 F= 0.63148878E+03 E0= 0.65972379E+03 EK= 0.53653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313249012127E+03 -0.43164E-01 -0.23801E-01 8904 0.236E+01 0.257E-01 RMM: 2 -0.313269508569E+03 -0.20496E-01 -0.17865E-01 5115 0.928E-01 0.843E-01 RMM: 3 -0.313263613008E+03 0.58956E-02 -0.16420E-02 6091 0.242E-01 0.195E-01 RMM: 4 -0.313263322473E+03 0.29053E-03 -0.10574E-03 4818 0.787E-02 0.216E-01 RMM: 5 -0.313263013173E+03 0.30930E-03 -0.35551E-04 4241 0.504E-02 0.112E-01 RMM: 6 -0.313263026566E+03 -0.13393E-04 -0.18454E-04 3883 0.362E-02 1701 T= 6092. E= 0.68204838E+03 F= 0.63165231E+03 E0= 0.65990055E+03 EK= 0.50396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313572585928E+03 -0.30957E+00 -0.21144E-01 8652 0.230E+01 0.439E-01 RMM: 2 -0.313619065687E+03 -0.46480E-01 -0.17006E-01 5040 0.942E-01 0.218E+00 RMM: 3 -0.313585250795E+03 0.33815E-01 -0.23412E-02 5394 0.358E-01 0.350E-01 RMM: 4 -0.313584562294E+03 0.68850E-03 -0.27587E-03 5265 0.109E-01 0.215E-01 RMM: 5 -0.313584452280E+03 0.11001E-03 -0.63669E-04 4563 0.628E-02 0.215E-01 RMM: 6 -0.313584210113E+03 0.24217E-03 -0.32045E-04 3904 0.469E-02 0.114E-01 RMM: 7 -0.313584323248E+03 -0.11314E-03 -0.20663E-04 3892 0.389E-02 0.170E-01 RMM: 8 -0.313584143414E+03 0.17983E-03 -0.10742E-04 3797 0.304E-02 0.545E-02 RMM: 9 -0.313584132380E+03 0.11034E-04 -0.22198E-05 2690 0.137E-02 1702 T= 5855. E= 0.68000049E+03 F= 0.63156289E+03 E0= 0.65982171E+03 EK= 0.48438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314217859523E+03 -0.63372E+00 -0.19440E-01 7992 0.229E+01 0.406E-01 RMM: 2 -0.314265745614E+03 -0.47886E-01 -0.18072E-01 4839 0.979E-01 0.216E+00 RMM: 3 -0.314231836478E+03 0.33909E-01 -0.23960E-02 5389 0.360E-01 0.367E-01 RMM: 4 -0.314230979325E+03 0.85715E-03 -0.30135E-03 5341 0.117E-01 0.186E-01 RMM: 5 -0.314231023503E+03 -0.44178E-04 -0.52058E-04 4437 0.562E-02 0.221E-01 RMM: 6 -0.314230684488E+03 0.33902E-03 -0.19109E-04 3884 0.364E-02 0.552E-02 RMM: 7 -0.314230753975E+03 -0.69487E-04 -0.11675E-04 3831 0.274E-02 0.119E-01 RMM: 8 -0.314230663331E+03 0.90643E-04 -0.57359E-05 3361 0.230E-02 0.334E-02 RMM: 9 -0.314230657468E+03 0.58632E-05 -0.92678E-06 2486 0.867E-03 1703 T= 5842. E= 0.67948412E+03 F= 0.63115651E+03 E0= 0.65942430E+03 EK= 0.48328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315211601015E+03 -0.98094E+00 -0.18865E-01 7656 0.231E+01 0.338E-01 RMM: 2 -0.315236360492E+03 -0.24759E-01 -0.16199E-01 4828 0.939E-01 0.128E+00 RMM: 3 -0.315224739068E+03 0.11621E-01 -0.19311E-02 5610 0.286E-01 0.259E-01 RMM: 4 -0.315224630916E+03 0.10815E-03 -0.19340E-03 5133 0.101E-01 0.290E-01 RMM: 5 -0.315224126503E+03 0.50441E-03 -0.48250E-04 4383 0.538E-02 0.159E-01 RMM: 6 -0.315224000288E+03 0.12621E-03 -0.18705E-04 3884 0.356E-02 0.931E-02 RMM: 7 -0.315224064152E+03 -0.63863E-04 -0.12961E-04 3881 0.306E-02 0.136E-01 RMM: 8 -0.315223938802E+03 0.12535E-03 -0.64320E-05 3433 0.236E-02 0.312E-02 RMM: 9 -0.315223939303E+03 -0.50042E-06 -0.15185E-05 2518 0.111E-02 1704 T= 6056. E= 0.68051094E+03 F= 0.63040814E+03 E0= 0.65868450E+03 EK= 0.50103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316533104655E+03 -0.13092E+01 -0.18996E-01 7836 0.237E+01 0.347E-01 RMM: 2 -0.316557367892E+03 -0.24263E-01 -0.14754E-01 4893 0.925E-01 0.137E+00 RMM: 3 -0.316544584081E+03 0.12784E-01 -0.17524E-02 5642 0.275E-01 0.245E-01 RMM: 4 -0.316544661402E+03 -0.77321E-04 -0.19953E-03 5132 0.105E-01 0.320E-01 RMM: 5 -0.316544047523E+03 0.61388E-03 -0.48546E-04 4399 0.541E-02 0.148E-01 RMM: 6 -0.316543920286E+03 0.12724E-03 -0.16296E-04 3882 0.338E-02 0.641E-02 RMM: 7 -0.316543985018E+03 -0.64731E-04 -0.79854E-05 3615 0.236E-02 0.119E-01 RMM: 8 -0.316543893440E+03 0.91578E-04 -0.44763E-05 3176 0.205E-02 0.319E-02 RMM: 9 -0.316543891160E+03 0.22801E-05 -0.12418E-05 2495 0.100E-02 1705 T= 6442. E= 0.68262650E+03 F= 0.62933452E+03 E0= 0.65761951E+03 EK= 0.53292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318117608911E+03 -0.15737E+01 -0.19542E-01 7560 0.245E+01 0.331E-01 RMM: 2 -0.318135454254E+03 -0.17845E-01 -0.14821E-01 4921 0.928E-01 0.938E-01 RMM: 3 -0.318129415604E+03 0.60386E-02 -0.16974E-02 5748 0.256E-01 0.226E-01 RMM: 4 -0.318129807812E+03 -0.39221E-03 -0.17744E-03 5082 0.104E-01 0.381E-01 RMM: 5 -0.318128845141E+03 0.96267E-03 -0.54758E-04 4490 0.587E-02 0.126E-01 RMM: 6 -0.318128766903E+03 0.78238E-04 -0.13995E-04 3884 0.307E-02 0.765E-02 RMM: 7 -0.318128811033E+03 -0.44130E-04 -0.89237E-05 3769 0.252E-02 0.116E-01 RMM: 8 -0.318128721145E+03 0.89888E-04 -0.46122E-05 3189 0.202E-02 0.302E-02 RMM: 9 -0.318128722230E+03 -0.10850E-05 -0.15345E-05 2510 0.112E-02 1706 T= 6873. E= 0.68485057E+03 F= 0.62799597E+03 E0= 0.65628936E+03 EK= 0.56855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319866811823E+03 -0.17381E+01 -0.20226E-01 7368 0.252E+01 0.362E-01 RMM: 2 -0.319888422696E+03 -0.21611E-01 -0.15534E-01 4941 0.963E-01 0.120E+00 RMM: 3 -0.319878618030E+03 0.98047E-02 -0.17587E-02 5633 0.272E-01 0.226E-01 RMM: 4 -0.319879148130E+03 -0.53010E-03 -0.21225E-03 5145 0.111E-01 0.402E-01 RMM: 5 -0.319878129414E+03 0.10187E-02 -0.61747E-04 4566 0.637E-02 0.143E-01 RMM: 6 -0.319878003958E+03 0.12546E-03 -0.13156E-04 3841 0.290E-02 0.605E-02 RMM: 7 -0.319878052164E+03 -0.48206E-04 -0.83455E-05 3661 0.244E-02 0.109E-01 RMM: 8 -0.319877973910E+03 0.78254E-04 -0.44514E-05 3160 0.200E-02 0.301E-02 RMM: 9 -0.319877975593E+03 -0.16836E-05 -0.14790E-05 2511 0.110E-02 1707 T= 7173. E= 0.68583485E+03 F= 0.62649417E+03 E0= 0.65479455E+03 EK= 0.59341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321660245308E+03 -0.17823E+01 -0.21047E-01 7680 0.255E+01 0.342E-01 RMM: 2 -0.321678646554E+03 -0.18401E-01 -0.15844E-01 4890 0.960E-01 0.925E-01 RMM: 3 -0.321672744270E+03 0.59023E-02 -0.18132E-02 5731 0.263E-01 0.220E-01 RMM: 4 -0.321673183188E+03 -0.43892E-03 -0.18991E-03 5121 0.108E-01 0.390E-01 RMM: 5 -0.321672183913E+03 0.99928E-03 -0.61655E-04 4590 0.637E-02 0.125E-01 RMM: 6 -0.321672102450E+03 0.81463E-04 -0.13374E-04 3875 0.295E-02 0.713E-02 RMM: 7 -0.321672142427E+03 -0.39977E-04 -0.74659E-05 3593 0.239E-02 0.108E-01 RMM: 8 -0.321672063731E+03 0.78696E-04 -0.37190E-05 3065 0.186E-02 0.269E-02 RMM: 9 -0.321672068668E+03 -0.49374E-05 -0.15314E-05 2505 0.111E-02 1708 T= 7198. E= 0.68450251E+03 F= 0.62495245E+03 E0= 0.65325702E+03 EK= 0.59550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323393952262E+03 -0.17219E+01 -0.21904E-01 7764 0.253E+01 0.328E-01 RMM: 2 -0.323413243405E+03 -0.19291E-01 -0.17589E-01 4738 0.101E+00 0.845E-01 RMM: 3 -0.323408373606E+03 0.48698E-02 -0.20853E-02 5894 0.270E-01 0.225E-01 RMM: 4 -0.323408765039E+03 -0.39143E-03 -0.18687E-03 5231 0.108E-01 0.405E-01 RMM: 5 -0.323407686898E+03 0.10781E-02 -0.64409E-04 4571 0.667E-02 0.117E-01 RMM: 6 -0.323407629292E+03 0.57606E-04 -0.13086E-04 3853 0.291E-02 0.783E-02 RMM: 7 -0.323407654961E+03 -0.25669E-04 -0.71568E-05 3543 0.231E-02 0.103E-01 RMM: 8 -0.323407585562E+03 0.69399E-04 -0.39725E-05 3112 0.195E-02 0.259E-02 RMM: 9 -0.323407592966E+03 -0.74039E-05 -0.13611E-05 2506 0.105E-02 1709 T= 6931. E= 0.68081575E+03 F= 0.62347935E+03 E0= 0.65178466E+03 EK= 0.57336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325011098072E+03 -0.16035E+01 -0.21243E-01 7680 0.246E+01 0.319E-01 RMM: 2 -0.325027451781E+03 -0.16354E-01 -0.14732E-01 4745 0.924E-01 0.803E-01 RMM: 3 -0.325022737417E+03 0.47144E-02 -0.16841E-02 5788 0.256E-01 0.226E-01 RMM: 4 -0.325023169936E+03 -0.43252E-03 -0.17895E-03 5247 0.107E-01 0.391E-01 RMM: 5 -0.325022200692E+03 0.96924E-03 -0.61260E-04 4592 0.651E-02 0.139E-01 RMM: 6 -0.325022113454E+03 0.87237E-04 -0.17663E-04 3899 0.346E-02 0.906E-02 RMM: 7 -0.325022143188E+03 -0.29734E-04 -0.81754E-05 3617 0.258E-02 0.113E-01 RMM: 8 -0.325022059262E+03 0.83926E-04 -0.39770E-05 3140 0.194E-02 0.262E-02 RMM: 9 -0.325022067225E+03 -0.79636E-05 -0.14899E-05 2507 0.109E-02 1710 T= 6492. E= 0.67584656E+03 F= 0.62214223E+03 E0= 0.65044512E+03 EK= 0.53704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326488231406E+03 -0.14662E+01 -0.19537E-01 7896 0.238E+01 0.304E-01 RMM: 2 -0.326501488617E+03 -0.13257E-01 -0.13118E-01 4824 0.847E-01 0.637E-01 RMM: 3 -0.326498430240E+03 0.30584E-02 -0.14277E-02 5823 0.232E-01 0.233E-01 RMM: 4 -0.326498868617E+03 -0.43838E-03 -0.15151E-03 5112 0.991E-02 0.396E-01 RMM: 5 -0.326497824442E+03 0.10442E-02 -0.63766E-04 4595 0.676E-02 0.102E-01 RMM: 6 -0.326497846698E+03 -0.22257E-04 -0.16851E-04 3882 0.336E-02 0.119E-01 RMM: 7 -0.326497803023E+03 0.43676E-04 -0.68616E-05 3524 0.249E-02 0.911E-02 RMM: 8 -0.326497751233E+03 0.51790E-04 -0.29118E-05 2929 0.168E-02 0.276E-02 RMM: 9 -0.326497760663E+03 -0.94298E-05 -0.14005E-05 2498 0.107E-02 1711 T= 6054. E= 0.67104708E+03 F= 0.62096165E+03 E0= 0.64925988E+03 EK= 0.50085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327835204437E+03 -0.13375E+01 -0.17528E-01 8244 0.232E+01 0.318E-01 RMM: 2 -0.327845678283E+03 -0.10474E-01 -0.90645E-02 5057 0.695E-01 0.783E-01 RMM: 3 -0.327841193228E+03 0.44851E-02 -0.89141E-03 5615 0.197E-01 0.214E-01 RMM: 4 -0.327841832121E+03 -0.63889E-03 -0.15652E-03 4919 0.101E-01 0.403E-01 RMM: 5 -0.327840806648E+03 0.10255E-02 -0.65774E-04 4600 0.690E-02 0.138E-01 RMM: 6 -0.327840749014E+03 0.57634E-04 -0.19110E-04 3888 0.359E-02 0.109E-01 RMM: 7 -0.327840750666E+03 -0.16520E-05 -0.90900E-05 3741 0.286E-02 1712 T= 5754. E= 0.66753173E+03 F= 0.61993115E+03 E0= 0.64822401E+03 EK= 0.47601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329052205110E+03 -0.12115E+01 -0.16941E-01 8496 0.228E+01 0.354E-01 RMM: 2 -0.329059724162E+03 -0.75191E-02 -0.80615E-02 5186 0.638E-01 0.615E-01 RMM: 3 -0.329057075418E+03 0.26487E-02 -0.74285E-03 5521 0.187E-01 0.299E-01 RMM: 4 -0.329057951384E+03 -0.87597E-03 -0.15653E-03 4808 0.101E-01 0.483E-01 RMM: 5 -0.329056343288E+03 0.16081E-02 -0.80595E-04 4597 0.749E-02 0.888E-02 RMM: 6 -0.329056477409E+03 -0.13412E-03 -0.23616E-04 3892 0.399E-02 0.169E-01 RMM: 7 -0.329056337716E+03 0.13969E-03 -0.96480E-05 3744 0.298E-02 0.905E-02 RMM: 8 -0.329056288862E+03 0.48854E-04 -0.36463E-05 3038 0.178E-02 0.331E-02 RMM: 9 -0.329056309673E+03 -0.20811E-04 -0.22251E-05 2564 0.138E-02 0.560E-02 RMM: 10 -0.329056295788E+03 0.13884E-04 -0.13499E-05 2500 0.118E-02 1713 T= 5661. E= 0.66586968E+03 F= 0.61904160E+03 E0= 0.64732630E+03 EK= 0.46828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330127114403E+03 -0.10708E+01 -0.17073E-01 8544 0.229E+01 0.298E-01 RMM: 2 -0.330135750937E+03 -0.86365E-02 -0.85119E-02 5066 0.655E-01 0.635E-01 RMM: 3 -0.330132741902E+03 0.30090E-02 -0.82593E-03 5655 0.188E-01 0.210E-01 RMM: 4 -0.330133146115E+03 -0.40421E-03 -0.11832E-03 4705 0.864E-02 0.352E-01 RMM: 5 -0.330132346830E+03 0.79928E-03 -0.45817E-04 4417 0.570E-02 0.115E-01 RMM: 6 -0.330132290505E+03 0.56325E-04 -0.13588E-04 3886 0.306E-02 0.754E-02 RMM: 7 -0.330132276741E+03 0.13765E-04 -0.42814E-05 3164 0.207E-02 1714 T= 5789. E= 0.66618637E+03 F= 0.61829893E+03 E0= 0.64657550E+03 EK= 0.47887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331023954051E+03 -0.89166E+00 -0.17611E-01 8916 0.233E+01 0.386E-01 RMM: 2 -0.331032932773E+03 -0.89787E-02 -0.85868E-02 5196 0.667E-01 0.765E-01 RMM: 3 -0.331028976295E+03 0.39565E-02 -0.83169E-03 5560 0.196E-01 0.296E-01 RMM: 4 -0.331029951326E+03 -0.97503E-03 -0.18929E-03 4906 0.109E-01 0.503E-01 RMM: 5 -0.331028219467E+03 0.17319E-02 -0.88793E-04 4604 0.778E-02 0.985E-02 RMM: 6 -0.331028272358E+03 -0.52891E-04 -0.19939E-04 3884 0.359E-02 0.138E-01 RMM: 7 -0.331028203732E+03 0.68626E-04 -0.81569E-05 3646 0.261E-02 0.985E-02 RMM: 8 -0.331028142127E+03 0.61605E-04 -0.35105E-05 3014 0.175E-02 0.293E-02 RMM: 9 -0.331028160000E+03 -0.17873E-04 -0.19129E-05 2541 0.125E-02 1715 T= 6105. E= 0.66823957E+03 F= 0.61773717E+03 E0= 0.64600195E+03 EK= 0.50502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331677994028E+03 -0.64985E+00 -0.18977E-01 8892 0.239E+01 0.325E-01 RMM: 2 -0.331688502875E+03 -0.10509E-01 -0.99599E-02 5105 0.699E-01 0.712E-01 RMM: 3 -0.331684678103E+03 0.38248E-02 -0.92961E-03 5635 0.200E-01 0.247E-01 RMM: 4 -0.331685375775E+03 -0.69767E-03 -0.14109E-03 4804 0.935E-02 0.425E-01 RMM: 5 -0.331684163346E+03 0.12124E-02 -0.56315E-04 4549 0.616E-02 0.986E-02 RMM: 6 -0.331684131396E+03 0.31950E-04 -0.13210E-04 3866 0.295E-02 0.770E-02 RMM: 7 -0.331684144137E+03 -0.12741E-04 -0.47632E-05 3230 0.201E-02 1716 T= 6522. E= 0.67136256E+03 F= 0.61741150E+03 E0= 0.64566111E+03 EK= 0.53951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332030345902E+03 -0.34621E+00 -0.20945E-01 8880 0.246E+01 0.378E-01 RMM: 2 -0.332043166656E+03 -0.12821E-01 -0.11884E-01 5066 0.778E-01 0.819E-01 RMM: 3 -0.332038414342E+03 0.47523E-02 -0.11780E-02 5748 0.224E-01 0.289E-01 RMM: 4 -0.332039335753E+03 -0.92141E-03 -0.19676E-03 5045 0.109E-01 0.496E-01 RMM: 5 -0.332037653116E+03 0.16826E-02 -0.84269E-04 4603 0.755E-02 0.101E-01 RMM: 6 -0.332037688626E+03 -0.35509E-04 -0.17741E-04 3876 0.338E-02 0.130E-01 RMM: 7 -0.332037642200E+03 0.46425E-04 -0.87059E-05 3714 0.256E-02 0.105E-01 RMM: 8 -0.332037570023E+03 0.72177E-04 -0.49130E-05 3269 0.203E-02 0.270E-02 RMM: 9 -0.332037585942E+03 -0.15919E-04 -0.17154E-05 2545 0.119E-02 1717 T= 6898. E= 0.67444697E+03 F= 0.61738326E+03 E0= 0.64561365E+03 EK= 0.57064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332041026330E+03 -0.34563E-02 -0.24559E-01 8232 0.250E+01 0.334E-01 RMM: 2 -0.332058597536E+03 -0.17571E-01 -0.16567E-01 4873 0.935E-01 0.773E-01 RMM: 3 -0.332053782087E+03 0.48154E-02 -0.16911E-02 5869 0.257E-01 0.232E-01 RMM: 4 -0.332054357867E+03 -0.57578E-03 -0.17411E-03 5204 0.104E-01 0.424E-01 RMM: 5 -0.332053175395E+03 0.11825E-02 -0.63787E-04 4604 0.663E-02 0.123E-01 RMM: 6 -0.332053102960E+03 0.72436E-04 -0.16972E-04 3887 0.338E-02 0.754E-02 RMM: 7 -0.332053126061E+03 -0.23102E-04 -0.57311E-05 3368 0.218E-02 0.992E-02 RMM: 8 -0.332053062708E+03 0.63353E-04 -0.26973E-05 2799 0.164E-02 0.228E-02 RMM: 9 -0.332053069249E+03 -0.65410E-05 -0.11769E-05 2485 0.937E-03 1718 T= 7079. E= 0.67625601E+03 F= 0.61769007E+03 E0= 0.64589749E+03 EK= 0.58566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331744485829E+03 0.30858E+00 -0.24004E-01 8844 0.249E+01 0.332E-01 RMM: 2 -0.331758154663E+03 -0.13669E-01 -0.13026E-01 5185 0.787E-01 0.721E-01 RMM: 3 -0.331753841745E+03 0.43129E-02 -0.10693E-02 5715 0.215E-01 0.246E-01 RMM: 4 -0.331754455357E+03 -0.61361E-03 -0.17151E-03 5080 0.105E-01 0.420E-01 RMM: 5 -0.331753290394E+03 0.11650E-02 -0.72709E-04 4600 0.715E-02 0.117E-01 RMM: 6 -0.331753286375E+03 0.40194E-05 -0.17771E-04 3880 0.343E-02 1719 T= 6985. E= 0.67610146E+03 F= 0.61831387E+03 E0= 0.64649414E+03 EK= 0.57788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331218241288E+03 0.53505E+00 -0.22728E-01 8688 0.245E+01 0.453E-01 RMM: 2 -0.331252289583E+03 -0.34048E-01 -0.13680E-01 5106 0.840E-01 0.189E+00 RMM: 3 -0.331227304073E+03 0.24986E-01 -0.18145E-02 5367 0.321E-01 0.358E-01 RMM: 4 -0.331227061348E+03 0.24273E-03 -0.25275E-03 5274 0.112E-01 0.326E-01 RMM: 5 -0.331226714859E+03 0.34649E-03 -0.98101E-04 4608 0.824E-02 0.271E-01 RMM: 6 -0.331226300178E+03 0.41468E-03 -0.48895E-04 4427 0.583E-02 0.122E-01 RMM: 7 -0.331226425694E+03 -0.12552E-03 -0.21721E-04 3888 0.396E-02 0.183E-01 RMM: 8 -0.331226216553E+03 0.20914E-03 -0.12214E-04 3853 0.338E-02 0.548E-02 RMM: 9 -0.331226211897E+03 0.46557E-05 -0.26304E-05 2873 0.149E-02 1720 T= 6666. E= 0.67431501E+03 F= 0.61917173E+03 E0= 0.64732611E+03 EK= 0.55143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330590594395E+03 0.63562E+00 -0.20725E-01 8544 0.238E+01 0.395E-01 RMM: 2 -0.330620717279E+03 -0.30123E-01 -0.13223E-01 5249 0.793E-01 0.172E+00 RMM: 3 -0.330599658001E+03 0.21059E-01 -0.15397E-02 5370 0.291E-01 0.367E-01 RMM: 4 -0.330599056413E+03 0.60159E-03 -0.24087E-03 5215 0.111E-01 0.267E-01 RMM: 5 -0.330598977109E+03 0.79305E-04 -0.79816E-04 4605 0.778E-02 0.263E-01 RMM: 6 -0.330598527306E+03 0.44980E-03 -0.30514E-04 3888 0.471E-02 0.758E-02 RMM: 7 -0.330598631913E+03 -0.10461E-03 -0.14780E-04 3876 0.327E-02 0.147E-01 RMM: 8 -0.330598493691E+03 0.13822E-03 -0.68225E-05 3492 0.250E-02 0.346E-02 RMM: 9 -0.330598490202E+03 0.34888E-05 -0.11111E-05 2504 0.970E-03 1721 T= 6266. E= 0.67198126E+03 F= 0.62014064E+03 E0= 0.64826716E+03 EK= 0.51841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329988893245E+03 0.60960E+00 -0.18887E-01 8472 0.231E+01 0.377E-01 RMM: 2 -0.330013932670E+03 -0.25039E-01 -0.12542E-01 5342 0.781E-01 0.150E+00 RMM: 3 -0.329997169097E+03 0.16764E-01 -0.12048E-02 5391 0.250E-01 0.285E-01 RMM: 4 -0.329997245917E+03 -0.76820E-04 -0.21387E-03 5053 0.109E-01 0.339E-01 RMM: 5 -0.329996649747E+03 0.59617E-03 -0.10193E-03 4608 0.895E-02 0.205E-01 RMM: 6 -0.329996483588E+03 0.16616E-03 -0.31980E-04 3918 0.465E-02 0.140E-01 RMM: 7 -0.329996459009E+03 0.24579E-04 -0.18593E-04 3879 0.416E-02 0.129E-01 RMM: 8 -0.329996355343E+03 0.10367E-03 -0.59713E-05 3414 0.233E-02 0.423E-02 RMM: 9 -0.329996361629E+03 -0.62861E-05 -0.19142E-05 2552 0.126E-02 1722 T= 5942. E= 0.67024799E+03 F= 0.62109484E+03 E0= 0.64919382E+03 EK= 0.49153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329508106202E+03 0.48825E+00 -0.17725E-01 8688 0.226E+01 0.337E-01 RMM: 2 -0.329523345448E+03 -0.15239E-01 -0.11425E-01 5392 0.726E-01 0.991E-01 RMM: 3 -0.329515691292E+03 0.76542E-02 -0.96960E-03 5533 0.212E-01 0.237E-01 RMM: 4 -0.329516215987E+03 -0.52469E-03 -0.17150E-03 4833 0.102E-01 0.391E-01 RMM: 5 -0.329515315857E+03 0.90013E-03 -0.77077E-04 4607 0.758E-02 0.179E-01 RMM: 6 -0.329515190871E+03 0.12499E-03 -0.29652E-04 3912 0.448E-02 0.119E-01 RMM: 7 -0.329515220626E+03 -0.29755E-04 -0.12133E-04 3855 0.331E-02 0.136E-01 RMM: 8 -0.329515102017E+03 0.11861E-03 -0.55618E-05 3383 0.222E-02 0.353E-02 RMM: 9 -0.329515109398E+03 -0.73805E-05 -0.17428E-05 2531 0.121E-02 1723 T= 5795. E= 0.66987830E+03 F= 0.62193607E+03 E0= 0.65000628E+03 EK= 0.47942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329201419844E+03 0.31368E+00 -0.17939E-01 8856 0.225E+01 0.335E-01 RMM: 2 -0.329215475207E+03 -0.14055E-01 -0.11985E-01 5318 0.724E-01 0.843E-01 RMM: 3 -0.329209547416E+03 0.59278E-02 -0.99151E-03 5502 0.209E-01 0.252E-01 RMM: 4 -0.329210211163E+03 -0.66375E-03 -0.20507E-03 5006 0.114E-01 0.425E-01 RMM: 5 -0.329209050197E+03 0.11610E-02 -0.83486E-04 4603 0.778E-02 0.129E-01 RMM: 6 -0.329209042208E+03 0.79891E-05 -0.19733E-04 3895 0.358E-02 1724 T= 5872. E= 0.67117980E+03 F= 0.62260453E+03 E0= 0.65064370E+03 EK= 0.48575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329085478456E+03 0.12357E+00 -0.19421E-01 9096 0.228E+01 0.466E-01 RMM: 2 -0.329115299771E+03 -0.29821E-01 -0.13449E-01 5317 0.765E-01 0.173E+00 RMM: 3 -0.329093707239E+03 0.21593E-01 -0.15497E-02 5378 0.294E-01 0.377E-01 RMM: 4 -0.329093684817E+03 0.22423E-04 -0.28804E-03 5236 0.121E-01 0.394E-01 RMM: 5 -0.329093053476E+03 0.63134E-03 -0.10102E-03 4616 0.830E-02 0.280E-01 RMM: 6 -0.329092583901E+03 0.46957E-03 -0.42162E-04 4035 0.546E-02 0.109E-01 RMM: 7 -0.329092696357E+03 -0.11246E-03 -0.18870E-04 3893 0.372E-02 0.168E-01 RMM: 8 -0.329092524000E+03 0.17236E-03 -0.10280E-04 3811 0.302E-02 0.596E-02 RMM: 9 -0.329092514670E+03 0.93294E-05 -0.26642E-05 2845 0.150E-02 1725 T= 6160. E= 0.67403911E+03 F= 0.62307981E+03 E0= 0.65108651E+03 EK= 0.50959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329141086100E+03 -0.48562E-01 -0.22387E-01 9072 0.235E+01 0.459E-01 RMM: 2 -0.329179509551E+03 -0.38423E-01 -0.16517E-01 5196 0.853E-01 0.193E+00 RMM: 3 -0.329151902484E+03 0.27607E-01 -0.18403E-02 5378 0.319E-01 0.391E-01 RMM: 4 -0.329151700699E+03 0.20179E-03 -0.35264E-03 5349 0.135E-01 0.373E-01 RMM: 5 -0.329151249936E+03 0.45076E-03 -0.77165E-04 4602 0.703E-02 0.281E-01 RMM: 6 -0.329150711848E+03 0.53809E-03 -0.27913E-04 3897 0.445E-02 0.578E-02 RMM: 7 -0.329150734833E+03 -0.22985E-04 -0.72716E-05 3506 0.228E-02 0.861E-02 RMM: 8 -0.329150690087E+03 0.44746E-04 -0.31741E-05 2910 0.176E-02 0.362E-02 RMM: 9 -0.329150686160E+03 0.39265E-05 -0.13693E-05 2503 0.109E-02 1726 T= 6586. E= 0.67785818E+03 F= 0.62337270E+03 E0= 0.65134442E+03 EK= 0.54485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329329864029E+03 -0.17917E+00 -0.27123E-01 9060 0.242E+01 0.425E-01 RMM: 2 -0.329358641905E+03 -0.28778E-01 -0.20012E-01 5220 0.917E-01 0.137E+00 RMM: 3 -0.329343849763E+03 0.14792E-01 -0.16969E-02 5452 0.286E-01 0.303E-01 RMM: 4 -0.329344723569E+03 -0.87381E-03 -0.30326E-03 5257 0.127E-01 0.490E-01 RMM: 5 -0.329343222533E+03 0.15010E-02 -0.91559E-04 4591 0.779E-02 0.170E-01 RMM: 6 -0.329343060880E+03 0.16165E-03 -0.18433E-04 3880 0.340E-02 0.837E-02 RMM: 7 -0.329343112412E+03 -0.51532E-04 -0.11626E-04 3879 0.282E-02 0.126E-01 RMM: 8 -0.329343009593E+03 0.10282E-03 -0.64516E-05 3441 0.235E-02 0.357E-02 RMM: 9 -0.329343018190E+03 -0.85965E-05 -0.19678E-05 2562 0.127E-02 1727 T= 7007. E= 0.68149300E+03 F= 0.62352309E+03 E0= 0.65146005E+03 EK= 0.57970E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329599860847E+03 -0.25685E+00 -0.31775E-01 9108 0.248E+01 0.393E-01 RMM: 2 -0.329624892381E+03 -0.25032E-01 -0.22260E-01 5441 0.933E-01 0.973E-01 RMM: 3 -0.329616099077E+03 0.87933E-02 -0.15363E-02 5581 0.256E-01 0.290E-01 RMM: 4 -0.329616974262E+03 -0.87518E-03 -0.24655E-03 5183 0.118E-01 0.483E-01 RMM: 5 -0.329615459842E+03 0.15144E-02 -0.84965E-04 4604 0.756E-02 0.145E-01 RMM: 6 -0.329615347975E+03 0.11187E-03 -0.17198E-04 3882 0.328E-02 0.807E-02 RMM: 7 -0.329615394997E+03 -0.47022E-04 -0.93093E-05 3742 0.258E-02 0.118E-01 RMM: 8 -0.329615305585E+03 0.89412E-04 -0.54920E-05 3332 0.217E-02 0.286E-02 RMM: 9 -0.329615320979E+03 -0.15394E-04 -0.20360E-05 2586 0.128E-02 1728 T= 7245. E= 0.68352412E+03 F= 0.62358844E+03 E0= 0.65149450E+03 EK= 0.59936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329900014253E+03 -0.28471E+00 -0.39141E-01 9012 0.249E+01 0.370E-01 RMM: 2 -0.329926283733E+03 -0.26269E-01 -0.26618E-01 5393 0.106E+00 0.651E-01 RMM: 3 -0.329921256535E+03 0.50272E-02 -0.17697E-02 5712 0.263E-01 0.323E-01 RMM: 4 -0.329921701855E+03 -0.44532E-03 -0.20975E-03 5160 0.110E-01 0.461E-01 RMM: 5 -0.329920257784E+03 0.14441E-02 -0.86087E-04 4598 0.762E-02 0.927E-02 RMM: 6 -0.329920291712E+03 -0.33927E-04 -0.17235E-04 3880 0.327E-02 0.122E-01 RMM: 7 -0.329920238356E+03 0.53355E-04 -0.67120E-05 3481 0.235E-02 0.860E-02 RMM: 8 -0.329920193527E+03 0.44829E-04 -0.34147E-05 3005 0.172E-02 0.329E-02 RMM: 9 -0.329920206996E+03 -0.13469E-04 -0.19661E-05 2540 0.127E-02 1729 T= 7181. E= 0.68302628E+03 F= 0.62362223E+03 E0= 0.65150554E+03 EK= 0.59404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330217644133E+03 -0.29745E+00 -0.36784E-01 8976 0.246E+01 0.369E-01 RMM: 2 -0.330242161210E+03 -0.24517E-01 -0.23221E-01 5792 0.946E-01 0.808E-01 RMM: 3 -0.330235314712E+03 0.68465E-02 -0.12937E-02 5568 0.236E-01 0.283E-01 RMM: 4 -0.330236207580E+03 -0.89287E-03 -0.22607E-03 5129 0.115E-01 0.484E-01 RMM: 5 -0.330234661703E+03 0.15459E-02 -0.88119E-04 4610 0.783E-02 0.129E-01 RMM: 6 -0.330234617550E+03 0.44154E-04 -0.19403E-04 3881 0.352E-02 0.108E-01 RMM: 7 -0.330234610343E+03 0.72068E-05 -0.86612E-05 3669 0.265E-02 1730 T= 6842. E= 0.68025687E+03 F= 0.62365454E+03 E0= 0.65152646E+03 EK= 0.56602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330547640080E+03 -0.31302E+00 -0.34271E-01 8964 0.240E+01 0.365E-01 RMM: 2 -0.330566788901E+03 -0.19149E-01 -0.20547E-01 6162 0.884E-01 0.487E-01 RMM: 3 -0.330563868183E+03 0.29207E-02 -0.99829E-03 5507 0.213E-01 0.378E-01 RMM: 4 -0.330564183246E+03 -0.31506E-03 -0.18462E-03 5023 0.106E-01 0.459E-01 RMM: 5 -0.330562765875E+03 0.14174E-02 -0.92270E-04 4617 0.804E-02 0.951E-02 RMM: 6 -0.330562933275E+03 -0.16740E-03 -0.27420E-04 3891 0.428E-02 0.183E-01 RMM: 7 -0.330562746406E+03 0.18687E-03 -0.10741E-04 3819 0.320E-02 0.820E-02 RMM: 8 -0.330562710266E+03 0.36141E-04 -0.36186E-05 3052 0.173E-02 0.399E-02 RMM: 9 -0.330562731038E+03 -0.20772E-04 -0.22496E-05 2598 0.139E-02 0.569E-02 RMM: 10 -0.330562715023E+03 0.16015E-04 -0.14737E-05 2514 0.125E-02 1731 T= 6381. E= 0.67647325E+03 F= 0.62368670E+03 E0= 0.65156088E+03 EK= 0.52787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330909198750E+03 -0.34647E+00 -0.29949E-01 8892 0.233E+01 0.331E-01 RMM: 2 -0.330927914859E+03 -0.18716E-01 -0.18538E-01 5846 0.842E-01 0.652E-01 RMM: 3 -0.330923332164E+03 0.45827E-02 -0.99898E-03 5594 0.208E-01 0.273E-01 RMM: 4 -0.330923944091E+03 -0.61193E-03 -0.18286E-03 5041 0.109E-01 0.436E-01 RMM: 5 -0.330922685188E+03 0.12589E-02 -0.84285E-04 4608 0.778E-02 0.111E-01 RMM: 6 -0.330922724902E+03 -0.39715E-04 -0.26348E-04 3892 0.417E-02 0.136E-01 RMM: 7 -0.330922623188E+03 0.10171E-03 -0.91453E-05 3699 0.303E-02 0.664E-02 RMM: 8 -0.330922596802E+03 0.26387E-04 -0.16687E-05 2555 0.124E-02 0.267E-02 RMM: 9 -0.330922604523E+03 -0.77212E-05 -0.11343E-05 2476 0.966E-03 1732 T= 5971. E= 0.67310023E+03 F= 0.62370276E+03 E0= 0.65159114E+03 EK= 0.49397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331315601978E+03 -0.39301E+00 -0.25563E-01 8856 0.228E+01 0.360E-01 RMM: 2 -0.331328373995E+03 -0.12772E-01 -0.14496E-01 6283 0.725E-01 0.438E-01 RMM: 3 -0.331326250246E+03 0.21237E-02 -0.65327E-03 5416 0.178E-01 0.387E-01 RMM: 4 -0.331326133003E+03 0.11724E-03 -0.15685E-03 4769 0.104E-01 0.394E-01 RMM: 5 -0.331325096927E+03 0.10361E-02 -0.66126E-04 4591 0.674E-02 0.973E-02 RMM: 6 -0.331325233423E+03 -0.13650E-03 -0.25646E-04 3893 0.417E-02 0.173E-01 RMM: 7 -0.331325051193E+03 0.18223E-03 -0.10764E-04 3776 0.322E-02 0.640E-02 RMM: 8 -0.331325033188E+03 0.18005E-04 -0.24296E-05 2705 0.145E-02 1733 T= 5734. E= 0.67112155E+03 F= 0.62368976E+03 E0= 0.65160322E+03 EK= 0.47432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331752070222E+03 -0.42702E+00 -0.23414E-01 8964 0.227E+01 0.392E-01 RMM: 2 -0.331769564245E+03 -0.17494E-01 -0.13823E-01 5687 0.738E-01 0.102E+00 RMM: 3 -0.331761204278E+03 0.83600E-02 -0.94308E-03 5417 0.215E-01 0.306E-01 RMM: 4 -0.331762056378E+03 -0.85210E-03 -0.24098E-03 5125 0.119E-01 0.481E-01 RMM: 5 -0.331760618683E+03 0.14377E-02 -0.10873E-03 4605 0.900E-02 0.186E-01 RMM: 6 -0.331760451867E+03 0.16682E-03 -0.33336E-04 3961 0.478E-02 0.108E-01 RMM: 7 -0.331760485170E+03 -0.33303E-04 -0.10126E-04 3838 0.297E-02 0.128E-01 RMM: 8 -0.331760376726E+03 0.10844E-03 -0.42250E-05 3185 0.196E-02 0.316E-02 RMM: 9 -0.331760395203E+03 -0.18477E-04 -0.21905E-05 2617 0.133E-02 1734 T= 5722. E= 0.67098499E+03 F= 0.62365140E+03 E0= 0.65159862E+03 EK= 0.47334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332184058524E+03 -0.42368E+00 -0.21826E-01 9060 0.230E+01 0.381E-01 RMM: 2 -0.332199315172E+03 -0.15257E-01 -0.12905E-01 5606 0.717E-01 0.918E-01 RMM: 3 -0.332192436065E+03 0.68791E-02 -0.94360E-03 5451 0.208E-01 0.285E-01 RMM: 4 -0.332193465135E+03 -0.10291E-02 -0.21195E-03 4920 0.111E-01 0.501E-01 RMM: 5 -0.332191739272E+03 0.17259E-02 -0.97844E-04 4608 0.840E-02 0.103E-01 RMM: 6 -0.332191806786E+03 -0.67513E-04 -0.22259E-04 3880 0.373E-02 0.148E-01 RMM: 7 -0.332191704593E+03 0.10219E-03 -0.77751E-05 3581 0.266E-02 0.865E-02 RMM: 8 -0.332191657434E+03 0.47159E-04 -0.31405E-05 2977 0.168E-02 0.282E-02 RMM: 9 -0.332191670816E+03 -0.13381E-04 -0.16244E-05 2518 0.115E-02 1735 T= 5934. E= 0.67271026E+03 F= 0.62361709E+03 E0= 0.65160657E+03 EK= 0.49093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332544921258E+03 -0.35326E+00 -0.22421E-01 8844 0.236E+01 0.382E-01 RMM: 2 -0.332559105911E+03 -0.14185E-01 -0.14028E-01 5448 0.774E-01 0.728E-01 RMM: 3 -0.332554630601E+03 0.44753E-02 -0.11082E-02 5546 0.212E-01 0.339E-01 RMM: 4 -0.332555250119E+03 -0.61952E-03 -0.20481E-03 4975 0.112E-01 0.479E-01 RMM: 5 -0.332553713259E+03 0.15369E-02 -0.91293E-04 4601 0.798E-02 0.126E-01 RMM: 6 -0.332553693439E+03 0.19821E-04 -0.20170E-04 3876 0.359E-02 0.118E-01 RMM: 7 -0.332553655526E+03 0.37913E-04 -0.77955E-05 3624 0.258E-02 0.976E-02 RMM: 8 -0.332553595350E+03 0.60176E-04 -0.37975E-05 3089 0.184E-02 0.292E-02 RMM: 9 -0.332553613414E+03 -0.18064E-04 -0.18766E-05 2558 0.121E-02 1736 T= 6317. E= 0.67590349E+03 F= 0.62364551E+03 E0= 0.65168465E+03 EK= 0.52258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332755728672E+03 -0.20213E+00 -0.21804E-01 9084 0.245E+01 0.383E-01 RMM: 2 -0.332768183855E+03 -0.12455E-01 -0.12532E-01 5398 0.738E-01 0.738E-01 RMM: 3 -0.332763858963E+03 0.43249E-02 -0.10074E-02 5686 0.204E-01 0.306E-01 RMM: 4 -0.332764558680E+03 -0.69972E-03 -0.17544E-03 4782 0.101E-01 0.472E-01 RMM: 5 -0.332763049453E+03 0.15092E-02 -0.82238E-04 4601 0.747E-02 0.120E-01 RMM: 6 -0.332763035363E+03 0.14090E-04 -0.20559E-04 3880 0.363E-02 0.117E-01 RMM: 7 -0.332763008494E+03 0.26869E-04 -0.77463E-05 3604 0.259E-02 0.102E-01 RMM: 8 -0.332762940937E+03 0.67557E-04 -0.37527E-05 3080 0.181E-02 0.290E-02 RMM: 9 -0.332762957339E+03 -0.16402E-04 -0.19228E-05 2562 0.123E-02 1737 T= 6752. E= 0.67967362E+03 F= 0.62381671E+03 E0= 0.65191187E+03 EK= 0.55857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332734749072E+03 0.28192E-01 -0.23456E-01 8616 0.252E+01 0.373E-01 RMM: 2 -0.332750978017E+03 -0.16229E-01 -0.16110E-01 5185 0.864E-01 0.732E-01 RMM: 3 -0.332746508408E+03 0.44696E-02 -0.14062E-02 5661 0.235E-01 0.320E-01 RMM: 4 -0.332747068686E+03 -0.56028E-03 -0.19357E-03 5066 0.108E-01 0.469E-01 RMM: 5 -0.332745577739E+03 0.14909E-02 -0.84286E-04 4590 0.757E-02 0.106E-01 RMM: 6 -0.332745620753E+03 -0.43014E-04 -0.19390E-04 3877 0.349E-02 0.135E-01 RMM: 7 -0.332745543128E+03 0.77625E-04 -0.79318E-05 3627 0.260E-02 0.905E-02 RMM: 8 -0.332745491957E+03 0.51171E-04 -0.38180E-05 3101 0.181E-02 0.295E-02 RMM: 9 -0.332745509503E+03 -0.17546E-04 -0.18381E-05 2554 0.121E-02 1738 T= 7073. E= 0.68271798E+03 F= 0.62420593E+03 E0= 0.65236316E+03 EK= 0.58512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332459438847E+03 0.28605E+00 -0.22479E-01 8976 0.255E+01 0.368E-01 RMM: 2 -0.332473221727E+03 -0.13783E-01 -0.13113E-01 5367 0.763E-01 0.794E-01 RMM: 3 -0.332468128691E+03 0.50930E-02 -0.10399E-02 5730 0.206E-01 0.271E-01 RMM: 4 -0.332468950409E+03 -0.82172E-03 -0.18374E-03 4850 0.106E-01 0.472E-01 RMM: 5 -0.332467438551E+03 0.15119E-02 -0.83652E-04 4608 0.760E-02 0.120E-01 RMM: 6 -0.332467477168E+03 -0.38617E-04 -0.23405E-04 3884 0.385E-02 0.146E-01 RMM: 7 -0.332467402681E+03 0.74487E-04 -0.97809E-05 3801 0.295E-02 0.105E-01 RMM: 8 -0.332467330980E+03 0.71701E-04 -0.42046E-05 3168 0.188E-02 0.282E-02 RMM: 9 -0.332467348959E+03 -0.17978E-04 -0.18516E-05 2557 0.120E-02 1739 T= 7134. E= 0.68387322E+03 F= 0.62485184E+03 E0= 0.65307422E+03 EK= 0.59021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331951976984E+03 0.51535E+00 -0.22042E-01 8664 0.254E+01 0.344E-01 RMM: 2 -0.331965620790E+03 -0.13644E-01 -0.12864E-01 5353 0.763E-01 0.746E-01 RMM: 3 -0.331960894677E+03 0.47261E-02 -0.10372E-02 5633 0.206E-01 0.276E-01 RMM: 4 -0.331961489732E+03 -0.59506E-03 -0.18364E-03 4897 0.108E-01 0.438E-01 RMM: 5 -0.331960201898E+03 0.12878E-02 -0.89700E-04 4607 0.800E-02 0.125E-01 RMM: 6 -0.331960281749E+03 -0.79851E-04 -0.28590E-04 3890 0.431E-02 0.167E-01 RMM: 7 -0.331960160758E+03 0.12099E-03 -0.11030E-04 3842 0.319E-02 0.103E-01 RMM: 8 -0.331960092395E+03 0.68363E-04 -0.39163E-05 3124 0.184E-02 0.310E-02 RMM: 9 -0.331960109031E+03 -0.16636E-04 -0.18414E-05 2547 0.122E-02 1740 T= 6907. E= 0.68287258E+03 F= 0.62572930E+03 E0= 0.65401855E+03 EK= 0.57143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331303538370E+03 0.65655E+00 -0.20623E-01 8304 0.248E+01 0.342E-01 RMM: 2 -0.331317773400E+03 -0.14235E-01 -0.11805E-01 5273 0.752E-01 0.896E-01 RMM: 3 -0.331311647715E+03 0.61257E-02 -0.10603E-02 5688 0.207E-01 0.252E-01 RMM: 4 -0.331312053039E+03 -0.40532E-03 -0.18653E-03 4949 0.109E-01 0.395E-01 RMM: 5 -0.331311087088E+03 0.96595E-03 -0.93084E-04 4608 0.827E-02 0.169E-01 RMM: 6 -0.331311072819E+03 0.14268E-04 -0.36195E-04 4016 0.493E-02 0.167E-01 RMM: 7 -0.331310988040E+03 0.84779E-04 -0.16334E-04 3876 0.389E-02 0.127E-01 RMM: 8 -0.331310883358E+03 0.10468E-03 -0.61605E-05 3420 0.232E-02 0.348E-02 RMM: 9 -0.331310896511E+03 -0.13153E-04 -0.18144E-05 2550 0.123E-02 1741 T= 6501. E= 0.68053720E+03 F= 0.62675699E+03 E0= 0.65511176E+03 EK= 0.53780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330611421630E+03 0.69946E+00 -0.19755E-01 8052 0.240E+01 0.333E-01 RMM: 2 -0.330623915449E+03 -0.12494E-01 -0.10709E-01 5141 0.728E-01 0.814E-01 RMM: 3 -0.330618717271E+03 0.51982E-02 -0.98700E-03 5593 0.203E-01 0.250E-01 RMM: 4 -0.330619344177E+03 -0.62691E-03 -0.19841E-03 5047 0.117E-01 0.437E-01 RMM: 5 -0.330618121752E+03 0.12224E-02 -0.10574E-03 4612 0.890E-02 0.131E-01 RMM: 6 -0.330618265033E+03 -0.14328E-03 -0.34003E-04 3889 0.480E-02 0.198E-01 RMM: 7 -0.330618049975E+03 0.21506E-03 -0.15445E-04 3873 0.392E-02 0.918E-02 RMM: 8 -0.330617999403E+03 0.50572E-04 -0.34251E-05 3018 0.176E-02 0.354E-02 RMM: 9 -0.330618018002E+03 -0.18599E-04 -0.19319E-05 2542 0.129E-02 1742 T= 6085. E= 0.67817501E+03 F= 0.62783949E+03 E0= 0.65625727E+03 EK= 0.50336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329938340490E+03 0.67966E+00 -0.18518E-01 8028 0.233E+01 0.344E-01 RMM: 2 -0.329949321518E+03 -0.10981E-01 -0.90301E-02 5200 0.675E-01 0.865E-01 RMM: 3 -0.329943945524E+03 0.53760E-02 -0.86560E-03 5636 0.190E-01 0.238E-01 RMM: 4 -0.329944577337E+03 -0.63181E-03 -0.20128E-03 5036 0.117E-01 0.425E-01 RMM: 5 -0.329943484817E+03 0.10925E-02 -0.98304E-04 4604 0.856E-02 0.170E-01 RMM: 6 -0.329943424320E+03 0.60497E-04 -0.28110E-04 3906 0.437E-02 0.145E-01 RMM: 7 -0.329943334057E+03 0.90264E-04 -0.13925E-04 3860 0.378E-02 0.949E-02 RMM: 8 -0.329943277987E+03 0.56069E-04 -0.34679E-05 3046 0.182E-02 0.322E-02 RMM: 9 -0.329943293095E+03 -0.15108E-04 -0.18803E-05 2539 0.127E-02 1743 T= 5798. E= 0.67687759E+03 F= 0.62891366E+03 E0= 0.65739029E+03 EK= 0.47964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329285134957E+03 0.65814E+00 -0.18448E-01 8400 0.230E+01 0.355E-01 RMM: 2 -0.329294058547E+03 -0.89236E-02 -0.86143E-02 5442 0.611E-01 0.710E-01 RMM: 3 -0.329289864727E+03 0.41938E-02 -0.64319E-03 5476 0.173E-01 0.294E-01 RMM: 4 -0.329290738187E+03 -0.87346E-03 -0.19882E-03 4925 0.115E-01 0.482E-01 RMM: 5 -0.329289178609E+03 0.15596E-02 -0.96216E-04 4608 0.833E-02 0.110E-01 RMM: 6 -0.329289270147E+03 -0.91538E-04 -0.24955E-04 3889 0.405E-02 0.164E-01 RMM: 7 -0.329289147757E+03 0.12239E-03 -0.10412E-04 3789 0.314E-02 0.959E-02 RMM: 8 -0.329289089647E+03 0.58110E-04 -0.35457E-05 3050 0.178E-02 0.311E-02 RMM: 9 -0.329289107181E+03 -0.17534E-04 -0.18887E-05 2567 0.124E-02 1744 T= 5716. E= 0.67725939E+03 F= 0.62997188E+03 E0= 0.65850377E+03 EK= 0.47288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328602543107E+03 0.68655E+00 -0.20191E-01 8748 0.231E+01 0.384E-01 RMM: 2 -0.328614736499E+03 -0.12193E-01 -0.10910E-01 5352 0.698E-01 0.851E-01 RMM: 3 -0.328609073282E+03 0.56632E-02 -0.94073E-03 5559 0.201E-01 0.295E-01 RMM: 4 -0.328609825214E+03 -0.75193E-03 -0.22353E-03 5052 0.117E-01 0.459E-01 RMM: 5 -0.328608458894E+03 0.13663E-02 -0.92608E-04 4608 0.814E-02 0.179E-01 RMM: 6 -0.328608300453E+03 0.15844E-03 -0.23093E-04 3914 0.395E-02 0.998E-02 RMM: 7 -0.328608339599E+03 -0.39145E-04 -0.10805E-04 3844 0.294E-02 0.128E-01 RMM: 8 -0.328608233480E+03 0.10612E-03 -0.56895E-05 3372 0.224E-02 0.309E-02 RMM: 9 -0.328608249159E+03 -0.15679E-04 -0.19311E-05 2574 0.124E-02 1745 T= 5857. E= 0.67950340E+03 F= 0.63105398E+03 E0= 0.65963643E+03 EK= 0.48449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327823786124E+03 0.78445E+00 -0.22411E-01 9072 0.236E+01 0.381E-01 RMM: 2 -0.327837006783E+03 -0.13221E-01 -0.12279E-01 5681 0.693E-01 0.804E-01 RMM: 3 -0.327831251661E+03 0.57551E-02 -0.78682E-03 5408 0.192E-01 0.317E-01 RMM: 4 -0.327832159685E+03 -0.90802E-03 -0.20038E-03 4854 0.111E-01 0.492E-01 RMM: 5 -0.327830507667E+03 0.16520E-02 -0.85295E-04 4606 0.765E-02 0.117E-01 RMM: 6 -0.327830515545E+03 -0.78780E-05 -0.21027E-04 3888 0.365E-02 0.128E-01 RMM: 7 -0.327830492007E+03 0.23538E-04 -0.93140E-05 3745 0.272E-02 0.116E-01 RMM: 8 -0.327830405578E+03 0.86429E-04 -0.50799E-05 3302 0.207E-02 0.315E-02 RMM: 9 -0.327830422945E+03 -0.17367E-04 -0.22325E-05 2632 0.134E-02 1746 T= 6186. E= 0.68339734E+03 F= 0.63222331E+03 E0= 0.66085192E+03 EK= 0.51174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326886427562E+03 0.94398E+00 -0.25444E-01 9060 0.243E+01 0.392E-01 RMM: 2 -0.326903696203E+03 -0.17269E-01 -0.14927E-01 5615 0.766E-01 0.953E-01 RMM: 3 -0.326896019864E+03 0.76763E-02 -0.10040E-02 5513 0.207E-01 0.289E-01 RMM: 4 -0.326896859892E+03 -0.84003E-03 -0.22872E-03 4983 0.116E-01 0.471E-01 RMM: 5 -0.326895409344E+03 0.14505E-02 -0.87156E-04 4607 0.772E-02 0.164E-01 RMM: 6 -0.326895278901E+03 0.13044E-03 -0.18908E-04 3884 0.350E-02 0.949E-02 RMM: 7 -0.326895309901E+03 -0.31000E-04 -0.11051E-04 3869 0.282E-02 0.121E-01 RMM: 8 -0.326895217322E+03 0.92579E-04 -0.61393E-05 3427 0.226E-02 0.315E-02 RMM: 9 -0.326895233248E+03 -0.15926E-04 -0.20774E-05 2580 0.129E-02 1747 T= 6614. E= 0.68825455E+03 F= 0.63353620E+03 E0= 0.66220515E+03 EK= 0.54718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325776772649E+03 0.11184E+01 -0.29327E-01 9084 0.249E+01 0.370E-01 RMM: 2 -0.325796115537E+03 -0.19343E-01 -0.18168E-01 5775 0.810E-01 0.814E-01 RMM: 3 -0.325789108940E+03 0.70066E-02 -0.99766E-03 5422 0.211E-01 0.306E-01 RMM: 4 -0.325789928628E+03 -0.81969E-03 -0.21130E-03 4859 0.111E-01 0.475E-01 RMM: 5 -0.325788406314E+03 0.15223E-02 -0.82952E-04 4594 0.737E-02 0.123E-01 RMM: 6 -0.325788389705E+03 0.16609E-04 -0.20865E-04 3884 0.363E-02 0.119E-01 RMM: 7 -0.325788401933E+03 -0.12227E-04 -0.10148E-04 3822 0.275E-02 1748 T= 6997. E= 0.69288955E+03 F= 0.63500696E+03 E0= 0.66371010E+03 EK= 0.57883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324556252792E+03 0.12321E+01 -0.34116E-01 8916 0.252E+01 0.381E-01 RMM: 2 -0.324580008903E+03 -0.23756E-01 -0.21479E-01 5889 0.866E-01 0.928E-01 RMM: 3 -0.324571088535E+03 0.89204E-02 -0.11132E-02 5465 0.223E-01 0.303E-01 RMM: 4 -0.324571797744E+03 -0.70921E-03 -0.22527E-03 4896 0.111E-01 0.462E-01 RMM: 5 -0.324570426610E+03 0.13711E-02 -0.86289E-04 4604 0.766E-02 0.156E-01 RMM: 6 -0.324570365316E+03 0.61294E-04 -0.23267E-04 3888 0.384E-02 0.130E-01 RMM: 7 -0.324570366607E+03 -0.12908E-05 -0.13132E-04 3884 0.311E-02 1749 T= 7179. E= 0.69596757E+03 F= 0.63657907E+03 E0= 0.66531171E+03 EK= 0.59389E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323365406564E+03 0.12050E+01 -0.40109E-01 8784 0.251E+01 0.365E-01 RMM: 2 -0.323392389978E+03 -0.26983E-01 -0.24661E-01 5997 0.935E-01 0.901E-01 RMM: 3 -0.323383454282E+03 0.89357E-02 -0.13004E-02 5461 0.241E-01 0.270E-01 RMM: 4 -0.323384228795E+03 -0.77451E-03 -0.20798E-03 4942 0.108E-01 0.450E-01 RMM: 5 -0.323382951193E+03 0.12776E-02 -0.73168E-04 4584 0.697E-02 0.168E-01 RMM: 6 -0.323382853157E+03 0.98036E-04 -0.30668E-04 3928 0.446E-02 0.122E-01 RMM: 7 -0.323382872266E+03 -0.19109E-04 -0.12425E-04 3879 0.319E-02 1750 T= 7085. E= 0.69673037E+03 F= 0.63811710E+03 E0= 0.66687268E+03 EK= 0.58613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322396750346E+03 0.98610E+00 -0.43630E-01 8760 0.245E+01 0.388E-01 RMM: 2 -0.322429641321E+03 -0.32891E-01 -0.26992E-01 5843 0.996E-01 0.117E+00 RMM: 3 -0.322417063456E+03 0.12578E-01 -0.15070E-02 5462 0.261E-01 0.300E-01 RMM: 4 -0.322417335641E+03 -0.27219E-03 -0.22946E-03 4993 0.110E-01 0.392E-01 RMM: 5 -0.322416553284E+03 0.78236E-03 -0.91551E-04 4610 0.809E-02 0.225E-01 RMM: 6 -0.322416285896E+03 0.26739E-03 -0.39115E-04 3987 0.509E-02 0.116E-01 RMM: 7 -0.322416392147E+03 -0.10625E-03 -0.17916E-04 3884 0.374E-02 0.168E-01 RMM: 8 -0.322416214916E+03 0.17723E-03 -0.81721E-05 3593 0.267E-02 0.498E-02 RMM: 9 -0.322416210646E+03 0.42697E-05 -0.21517E-05 2630 0.133E-02 1751 T= 6775. E= 0.69548434E+03 F= 0.63943730E+03 E0= 0.66821150E+03 EK= 0.56047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321831533756E+03 0.58468E+00 -0.44861E-01 8868 0.237E+01 0.337E-01 RMM: 2 -0.321859258461E+03 -0.27725E-01 -0.24830E-01 6297 0.945E-01 0.893E-01 RMM: 3 -0.321850944447E+03 0.83140E-02 -0.10544E-02 5420 0.221E-01 0.240E-01 RMM: 4 -0.321851651240E+03 -0.70679E-03 -0.20125E-03 4885 0.108E-01 0.425E-01 RMM: 5 -0.321850492783E+03 0.11585E-02 -0.77347E-04 4584 0.736E-02 0.132E-01 RMM: 6 -0.321850530545E+03 -0.37762E-04 -0.28846E-04 3894 0.432E-02 0.153E-01 RMM: 7 -0.321850476637E+03 0.53909E-04 -0.11387E-04 3845 0.312E-02 0.124E-01 RMM: 8 -0.321850377511E+03 0.99125E-04 -0.48785E-05 3287 0.205E-02 0.307E-02 RMM: 9 -0.321850384432E+03 -0.69208E-05 -0.13513E-05 2508 0.105E-02 1752 T= 6399. E= 0.69330469E+03 F= 0.64036446E+03 E0= 0.66915402E+03 EK= 0.52940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321782959301E+03 0.67418E-01 -0.42249E-01 8856 0.231E+01 0.376E-01 RMM: 2 -0.321809930165E+03 -0.26971E-01 -0.23511E-01 6076 0.927E-01 0.992E-01 RMM: 3 -0.321800757522E+03 0.91726E-02 -0.11218E-02 5453 0.227E-01 0.297E-01 RMM: 4 -0.321801207980E+03 -0.45046E-03 -0.22367E-03 4928 0.112E-01 0.422E-01 RMM: 5 -0.321800177062E+03 0.10309E-02 -0.10147E-03 4612 0.864E-02 0.197E-01 RMM: 6 -0.321800042902E+03 0.13416E-03 -0.33212E-04 3950 0.462E-02 0.140E-01 RMM: 7 -0.321800037489E+03 0.54136E-05 -0.14085E-04 3880 0.347E-02 1753 T= 6109. E= 0.69132331E+03 F= 0.64078556E+03 E0= 0.66958897E+03 EK= 0.50538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322278682491E+03 -0.47864E+00 -0.39154E-01 8940 0.228E+01 0.415E-01 RMM: 2 -0.322302590146E+03 -0.23908E-01 -0.22207E-01 5961 0.909E-01 0.913E-01 RMM: 3 -0.322295031084E+03 0.75591E-02 -0.11492E-02 5548 0.227E-01 0.331E-01 RMM: 4 -0.322295975518E+03 -0.94443E-03 -0.24155E-03 5118 0.119E-01 0.519E-01 RMM: 5 -0.322294208630E+03 0.17669E-02 -0.11150E-03 4608 0.888E-02 0.157E-01 RMM: 6 -0.322294257949E+03 -0.49318E-04 -0.39092E-04 4098 0.504E-02 0.182E-01 RMM: 7 -0.322294186927E+03 0.71021E-04 -0.16723E-04 3888 0.362E-02 0.146E-01 RMM: 8 -0.322294053278E+03 0.13365E-03 -0.84339E-05 3636 0.264E-02 0.433E-02 RMM: 9 -0.322294077762E+03 -0.24484E-04 -0.29765E-05 2867 0.155E-02 0.682E-02 RMM: 10 -0.322294064915E+03 0.12847E-04 -0.19857E-05 2559 0.146E-02 1754 T= 5996. E= 0.69027008E+03 F= 0.64067009E+03 E0= 0.66948452E+03 EK= 0.49600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323265445511E+03 -0.97137E+00 -0.36371E-01 8916 0.229E+01 0.354E-01 RMM: 2 -0.323289054858E+03 -0.23609E-01 -0.21663E-01 5948 0.899E-01 0.869E-01 RMM: 3 -0.323281857196E+03 0.71977E-02 -0.11391E-02 5494 0.227E-01 0.262E-01 RMM: 4 -0.323282594768E+03 -0.73757E-03 -0.20244E-03 4964 0.109E-01 0.446E-01 RMM: 5 -0.323281335574E+03 0.12592E-02 -0.78929E-04 4592 0.742E-02 0.141E-01 RMM: 6 -0.323281254060E+03 0.81513E-04 -0.19698E-04 3885 0.356E-02 0.939E-02 RMM: 7 -0.323281276812E+03 -0.22751E-04 -0.75186E-05 3554 0.239E-02 0.114E-01 RMM: 8 -0.323281193635E+03 0.83177E-04 -0.38761E-05 3107 0.192E-02 0.270E-02 RMM: 9 -0.323281197286E+03 -0.36511E-05 -0.12426E-05 2494 0.977E-03 1755 T= 6083. E= 0.69038773E+03 F= 0.64006548E+03 E0= 0.66889077E+03 EK= 0.50322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324627867960E+03 -0.13467E+01 -0.34311E-01 8940 0.233E+01 0.414E-01 RMM: 2 -0.324648696167E+03 -0.20828E-01 -0.21092E-01 6020 0.886E-01 0.755E-01 RMM: 3 -0.324643216174E+03 0.54800E-02 -0.10921E-02 5506 0.221E-01 0.359E-01 RMM: 4 -0.324644091004E+03 -0.87483E-03 -0.21174E-03 4917 0.110E-01 0.531E-01 RMM: 5 -0.324642177562E+03 0.19134E-02 -0.97641E-04 4604 0.819E-02 0.128E-01 RMM: 6 -0.324642189108E+03 -0.11546E-04 -0.27953E-04 3909 0.420E-02 0.143E-01 RMM: 7 -0.324642139565E+03 0.49543E-04 -0.11292E-04 3875 0.299E-02 0.116E-01 RMM: 8 -0.324642053583E+03 0.85982E-04 -0.42880E-05 3185 0.189E-02 0.351E-02 RMM: 9 -0.324642074414E+03 -0.20831E-04 -0.26878E-05 2776 0.146E-02 0.630E-02 RMM: 10 -0.324642054141E+03 0.20273E-04 -0.18069E-05 2535 0.143E-02 0.159E-02 RMM: 11 -0.324642054541E+03 -0.39950E-06 -0.35259E-06 2435 0.558E-03 1756 T= 6332. E= 0.69147338E+03 F= 0.63908701E+03 E0= 0.66792188E+03 EK= 0.52386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326194999820E+03 -0.15529E+01 -0.34795E-01 8940 0.240E+01 0.409E-01 RMM: 2 -0.326219620558E+03 -0.24621E-01 -0.24345E-01 5514 0.986E-01 0.818E-01 RMM: 3 -0.326213157427E+03 0.64631E-02 -0.16832E-02 5781 0.254E-01 0.338E-01 RMM: 4 -0.326213978097E+03 -0.82067E-03 -0.23418E-03 5073 0.115E-01 0.533E-01 RMM: 5 -0.326212066904E+03 0.19112E-02 -0.10224E-03 4608 0.839E-02 0.115E-01 RMM: 6 -0.326212075593E+03 -0.86883E-05 -0.20444E-04 3888 0.357E-02 0.126E-01 RMM: 7 -0.326212024231E+03 0.51362E-04 -0.93525E-05 3768 0.252E-02 0.992E-02 RMM: 8 -0.326211965332E+03 0.58899E-04 -0.46564E-05 3218 0.197E-02 0.354E-02 RMM: 9 -0.326211982458E+03 -0.17126E-04 -0.22281E-05 2593 0.136E-02 1757 T= 6649. E= 0.69290373E+03 F= 0.63789691E+03 E0= 0.66674100E+03 EK= 0.55007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327797438563E+03 -0.15855E+01 -0.33901E-01 9012 0.246E+01 0.426E-01 RMM: 2 -0.327821587097E+03 -0.24149E-01 -0.23029E-01 5872 0.925E-01 0.897E-01 RMM: 3 -0.327813780298E+03 0.78068E-02 -0.12865E-02 5551 0.234E-01 0.349E-01 RMM: 4 -0.327814843715E+03 -0.10634E-02 -0.25074E-03 5109 0.120E-01 0.550E-01 RMM: 5 -0.327812797697E+03 0.20460E-02 -0.10488E-03 4608 0.850E-02 0.125E-01 RMM: 6 -0.327812794538E+03 0.31588E-05 -0.23608E-04 3898 0.387E-02 0.130E-01 RMM: 7 -0.327812788832E+03 0.57066E-05 -0.11336E-04 3886 0.277E-02 1758 T= 6901. E= 0.69376033E+03 F= 0.63667385E+03 E0= 0.66552761E+03 EK= 0.57086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329281540041E+03 -0.14687E+01 -0.35436E-01 9024 0.250E+01 0.431E-01 RMM: 2 -0.329308703854E+03 -0.27164E-01 -0.26024E-01 5531 0.102E+00 0.902E-01 RMM: 3 -0.329300703440E+03 0.80004E-02 -0.17456E-02 5620 0.268E-01 0.339E-01 RMM: 4 -0.329301750297E+03 -0.10469E-02 -0.27023E-03 5239 0.124E-01 0.559E-01 RMM: 5 -0.329299647906E+03 0.21024E-02 -0.11543E-03 4603 0.891E-02 0.120E-01 RMM: 6 -0.329299732376E+03 -0.84471E-04 -0.23771E-04 3883 0.382E-02 0.168E-01 RMM: 7 -0.329299615269E+03 0.11711E-03 -0.12741E-04 3898 0.296E-02 0.109E-01 RMM: 8 -0.329299545023E+03 0.70246E-04 -0.59121E-05 3373 0.214E-02 0.383E-02 RMM: 9 -0.329299570432E+03 -0.25409E-04 -0.24929E-05 2668 0.145E-02 0.669E-02 RMM: 10 -0.329299547140E+03 0.23292E-04 -0.15978E-05 2520 0.135E-02 0.197E-02 RMM: 11 -0.329299546590E+03 0.55013E-06 -0.37371E-06 2439 0.564E-03 1759 T= 6969. E= 0.69322009E+03 F= 0.63556604E+03 E0= 0.66443337E+03 EK= 0.57654E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330585013210E+03 -0.12855E+01 -0.34683E-01 9084 0.249E+01 0.384E-01 RMM: 2 -0.330609059290E+03 -0.24046E-01 -0.24471E-01 5676 0.963E-01 0.711E-01 RMM: 3 -0.330603239325E+03 0.58200E-02 -0.13765E-02 5520 0.244E-01 0.353E-01 RMM: 4 -0.330603899136E+03 -0.65981E-03 -0.21582E-03 5061 0.113E-01 0.498E-01 RMM: 5 -0.330602212831E+03 0.16863E-02 -0.90918E-04 4611 0.780E-02 0.112E-01 RMM: 6 -0.330602244128E+03 -0.31297E-04 -0.23705E-04 3898 0.383E-02 0.137E-01 RMM: 7 -0.330602188020E+03 0.56108E-04 -0.10031E-04 3831 0.277E-02 0.110E-01 RMM: 8 -0.330602108860E+03 0.79161E-04 -0.43080E-05 3184 0.189E-02 0.277E-02 RMM: 9 -0.330602120936E+03 -0.12076E-04 -0.18683E-05 2531 0.122E-02 1760 T= 6820. E= 0.69106745E+03 F= 0.63464864E+03 E0= 0.66353408E+03 EK= 0.56419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331723194634E+03 -0.11211E+01 -0.32812E-01 8904 0.245E+01 0.400E-01 RMM: 2 -0.331744852995E+03 -0.21658E-01 -0.22360E-01 5995 0.897E-01 0.683E-01 RMM: 3 -0.331739349361E+03 0.55036E-02 -0.11068E-02 5461 0.223E-01 0.355E-01 RMM: 4 -0.331740188981E+03 -0.83962E-03 -0.21566E-03 4977 0.113E-01 0.527E-01 RMM: 5 -0.331738325690E+03 0.18633E-02 -0.10625E-03 4608 0.851E-02 0.126E-01 RMM: 6 -0.331738415661E+03 -0.89971E-04 -0.37041E-04 4013 0.488E-02 0.174E-01 RMM: 7 -0.331738267002E+03 0.14866E-03 -0.14305E-04 3887 0.346E-02 0.950E-02 RMM: 8 -0.331738213988E+03 0.53013E-04 -0.31593E-05 2953 0.166E-02 0.365E-02 RMM: 9 -0.331738235845E+03 -0.21857E-04 -0.23173E-05 2577 0.135E-02 0.628E-02 RMM: 10 -0.331738218112E+03 0.17733E-04 -0.18157E-05 2533 0.135E-02 1761 T= 6522. E= 0.68786133E+03 F= 0.63390871E+03 E0= 0.66281782E+03 EK= 0.53953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332777625839E+03 -0.10394E+01 -0.30894E-01 8844 0.239E+01 0.382E-01 RMM: 2 -0.332797998547E+03 -0.20373E-01 -0.20063E-01 5930 0.857E-01 0.763E-01 RMM: 3 -0.332791966061E+03 0.60325E-02 -0.10242E-02 5516 0.213E-01 0.309E-01 RMM: 4 -0.332792825786E+03 -0.85972E-03 -0.21206E-03 5007 0.113E-01 0.502E-01 RMM: 5 -0.332791141503E+03 0.16843E-02 -0.10105E-03 4609 0.844E-02 0.123E-01 RMM: 6 -0.332791264994E+03 -0.12349E-03 -0.29121E-04 3905 0.429E-02 0.186E-01 RMM: 7 -0.332791113176E+03 0.15182E-03 -0.12939E-04 3886 0.332E-02 0.111E-01 RMM: 8 -0.332791034643E+03 0.78532E-04 -0.44331E-05 3217 0.193E-02 0.322E-02 RMM: 9 -0.332791048102E+03 -0.13459E-04 -0.19658E-05 2553 0.126E-02 1762 T= 6202. E= 0.68456922E+03 F= 0.63326575E+03 E0= 0.66220498E+03 EK= 0.51303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333849353086E+03 -0.10583E+01 -0.27915E-01 8856 0.234E+01 0.394E-01 RMM: 2 -0.333865897514E+03 -0.16544E-01 -0.16986E-01 5909 0.799E-01 0.701E-01 RMM: 3 -0.333861199762E+03 0.46978E-02 -0.89129E-03 5449 0.202E-01 0.339E-01 RMM: 4 -0.333862015013E+03 -0.81525E-03 -0.20603E-03 5007 0.112E-01 0.509E-01 RMM: 5 -0.333860287650E+03 0.17274E-02 -0.10373E-03 4608 0.857E-02 0.131E-01 RMM: 6 -0.333860342246E+03 -0.54596E-04 -0.32716E-04 3947 0.460E-02 0.163E-01 RMM: 7 -0.333860240254E+03 0.10199E-03 -0.12472E-04 3878 0.336E-02 0.110E-01 RMM: 8 -0.333860162015E+03 0.78239E-04 -0.35943E-05 3075 0.176E-02 0.315E-02 RMM: 9 -0.333860180643E+03 -0.18628E-04 -0.21393E-05 2571 0.129E-02 1763 T= 5976. E= 0.68205713E+03 F= 0.63261962E+03 E0= 0.66159368E+03 EK= 0.49438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335011042824E+03 -0.11509E+01 -0.25125E-01 8928 0.232E+01 0.391E-01 RMM: 2 -0.335025945545E+03 -0.14903E-01 -0.14661E-01 5840 0.749E-01 0.755E-01 RMM: 3 -0.335020946684E+03 0.49989E-02 -0.81735E-03 5445 0.193E-01 0.336E-01 RMM: 4 -0.335021710141E+03 -0.76346E-03 -0.22749E-03 5105 0.121E-01 0.500E-01 RMM: 5 -0.335020043015E+03 0.16671E-02 -0.10855E-03 4608 0.883E-02 0.113E-01 RMM: 6 -0.335020166541E+03 -0.12353E-03 -0.25655E-04 3890 0.403E-02 0.179E-01 RMM: 7 -0.335019996401E+03 0.17014E-03 -0.11333E-04 3864 0.317E-02 0.895E-02 RMM: 8 -0.335019947940E+03 0.48460E-04 -0.35139E-05 3068 0.172E-02 0.316E-02 RMM: 9 -0.335019967564E+03 -0.19624E-04 -0.17872E-05 2541 0.120E-02 1764 T= 5915. E= 0.68082446E+03 F= 0.63189216E+03 E0= 0.66090522E+03 EK= 0.48932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336290820832E+03 -0.12709E+01 -0.23229E-01 9048 0.233E+01 0.408E-01 RMM: 2 -0.336303863588E+03 -0.13043E-01 -0.13522E-01 5354 0.749E-01 0.731E-01 RMM: 3 -0.336299638717E+03 0.42249E-02 -0.10181E-02 5476 0.213E-01 0.363E-01 RMM: 4 -0.336300452650E+03 -0.81393E-03 -0.21409E-03 5110 0.113E-01 0.529E-01 RMM: 5 -0.336298623191E+03 0.18295E-02 -0.10332E-03 4607 0.854E-02 0.127E-01 RMM: 6 -0.336298634285E+03 -0.11095E-04 -0.23581E-04 3914 0.387E-02 0.139E-01 RMM: 7 -0.336298592840E+03 0.41446E-04 -0.95289E-05 3806 0.282E-02 0.119E-01 RMM: 8 -0.336298501555E+03 0.91284E-04 -0.45575E-05 3222 0.196E-02 0.298E-02 RMM: 9 -0.336298519314E+03 -0.17758E-04 -0.20799E-05 2595 0.128E-02 1765 T= 6035. E= 0.68097546E+03 F= 0.63104952E+03 E0= 0.66010340E+03 EK= 0.49926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337663749258E+03 -0.13652E+01 -0.22479E-01 8964 0.237E+01 0.413E-01 RMM: 2 -0.337676054181E+03 -0.12305E-01 -0.13309E-01 5315 0.766E-01 0.681E-01 RMM: 3 -0.337672730206E+03 0.33240E-02 -0.10302E-02 5496 0.217E-01 0.422E-01 RMM: 4 -0.337673194085E+03 -0.46388E-03 -0.22563E-03 5179 0.117E-01 0.515E-01 RMM: 5 -0.337671403535E+03 0.17905E-02 -0.10951E-03 4609 0.883E-02 0.104E-01 RMM: 6 -0.337671462204E+03 -0.58669E-04 -0.22277E-04 3908 0.376E-02 0.146E-01 RMM: 7 -0.337671389582E+03 0.72622E-04 -0.86764E-05 3672 0.270E-02 0.107E-01 RMM: 8 -0.337671316456E+03 0.73126E-04 -0.43867E-05 3185 0.193E-02 0.301E-02 RMM: 9 -0.337671334140E+03 -0.17684E-04 -0.19417E-05 2563 0.125E-02 1766 T= 6301. E= 0.68223894E+03 F= 0.63011065E+03 E0= 0.65920634E+03 EK= 0.52128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339065957841E+03 -0.13946E+01 -0.22086E-01 8916 0.243E+01 0.424E-01 RMM: 2 -0.339078710455E+03 -0.12753E-01 -0.13156E-01 5266 0.766E-01 0.764E-01 RMM: 3 -0.339074401507E+03 0.43089E-02 -0.11032E-02 5498 0.219E-01 0.377E-01 RMM: 4 -0.339075055912E+03 -0.65441E-03 -0.21579E-03 5074 0.113E-01 0.521E-01 RMM: 5 -0.339073280637E+03 0.17753E-02 -0.98770E-04 4612 0.832E-02 0.127E-01 RMM: 6 -0.339073264833E+03 0.15804E-04 -0.20760E-04 3903 0.364E-02 0.124E-01 RMM: 7 -0.339073247350E+03 0.17483E-04 -0.96655E-05 3794 0.270E-02 1767 T= 6627. E= 0.68396273E+03 F= 0.62913747E+03 E0= 0.65827366E+03 EK= 0.54825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340414956664E+03 -0.13417E+01 -0.21975E-01 8952 0.248E+01 0.444E-01 RMM: 2 -0.340426527133E+03 -0.11570E-01 -0.12716E-01 5300 0.750E-01 0.726E-01 RMM: 3 -0.340423032640E+03 0.34945E-02 -0.10807E-02 5480 0.220E-01 0.438E-01 RMM: 4 -0.340423909853E+03 -0.87721E-03 -0.23775E-03 5109 0.118E-01 0.591E-01 RMM: 5 -0.340421574794E+03 0.23351E-02 -0.12568E-03 4599 0.935E-02 0.118E-01 RMM: 6 -0.340421650717E+03 -0.75922E-04 -0.25439E-04 3896 0.401E-02 0.165E-01 RMM: 7 -0.340421548213E+03 0.10250E-03 -0.11699E-04 3875 0.302E-02 0.116E-01 RMM: 8 -0.340421464614E+03 0.83600E-04 -0.59101E-05 3402 0.214E-02 0.348E-02 RMM: 9 -0.340421492629E+03 -0.28015E-04 -0.25276E-05 2689 0.145E-02 0.684E-02 RMM: 10 -0.340421468445E+03 0.24183E-04 -0.16820E-05 2540 0.137E-02 0.185E-02 RMM: 11 -0.340421468038E+03 0.40704E-06 -0.32357E-06 2431 0.522E-03 1768 T= 6890. E= 0.68521159E+03 F= 0.62821294E+03 E0= 0.65738602E+03 EK= 0.56999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341644346246E+03 -0.12229E+01 -0.21469E-01 8952 0.251E+01 0.393E-01 RMM: 2 -0.341655505227E+03 -0.11159E-01 -0.11961E-01 5326 0.713E-01 0.702E-01 RMM: 3 -0.341651928689E+03 0.35765E-02 -0.95428E-03 5492 0.203E-01 0.363E-01 RMM: 4 -0.341652541104E+03 -0.61242E-03 -0.18432E-03 4866 0.105E-01 0.504E-01 RMM: 5 -0.341650867967E+03 0.16731E-02 -0.84684E-04 4601 0.765E-02 0.116E-01 RMM: 6 -0.341650871896E+03 -0.39298E-05 -0.21850E-04 3901 0.374E-02 0.125E-01 RMM: 7 -0.341650838025E+03 0.33872E-04 -0.81295E-05 3636 0.256E-02 0.111E-01 RMM: 8 -0.341650756762E+03 0.81263E-04 -0.40368E-05 3109 0.189E-02 0.244E-02 RMM: 9 -0.341650767091E+03 -0.10329E-04 -0.16251E-05 2514 0.111E-02 1769 T= 6977. E= 0.68512382E+03 F= 0.62740582E+03 E0= 0.65661020E+03 EK= 0.57718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342737768017E+03 -0.10870E+01 -0.20150E-01 8964 0.250E+01 0.407E-01 RMM: 2 -0.342747673085E+03 -0.99051E-02 -0.10499E-01 5403 0.668E-01 0.723E-01 RMM: 3 -0.342743880375E+03 0.37927E-02 -0.80137E-03 5485 0.190E-01 0.368E-01 RMM: 4 -0.342744817249E+03 -0.93687E-03 -0.22642E-03 5042 0.120E-01 0.544E-01 RMM: 5 -0.342742844471E+03 0.19728E-02 -0.11390E-03 4608 0.895E-02 0.133E-01 RMM: 6 -0.342742909451E+03 -0.64980E-04 -0.33041E-04 3988 0.468E-02 0.170E-01 RMM: 7 -0.342742811178E+03 0.98273E-04 -0.13270E-04 3879 0.342E-02 0.123E-01 RMM: 8 -0.342742714721E+03 0.96458E-04 -0.50466E-05 3291 0.205E-02 0.348E-02 RMM: 9 -0.342742736408E+03 -0.21687E-04 -0.23844E-05 2637 0.137E-02 0.631E-02 RMM: 10 -0.342742721301E+03 0.15107E-04 -0.17578E-05 2519 0.133E-02 1770 T= 6850. E= 0.68340755E+03 F= 0.62673997E+03 E0= 0.65596857E+03 EK= 0.56668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343720960572E+03 -0.97822E+00 -0.19046E-01 8088 0.245E+01 0.379E-01 RMM: 2 -0.343733108318E+03 -0.12148E-01 -0.11898E-01 5022 0.754E-01 0.782E-01 RMM: 3 -0.343728749056E+03 0.43593E-02 -0.11911E-02 5800 0.215E-01 0.290E-01 RMM: 4 -0.343729577129E+03 -0.82807E-03 -0.21975E-03 5089 0.118E-01 0.506E-01 RMM: 5 -0.343727897209E+03 0.16799E-02 -0.12179E-03 4610 0.953E-02 0.132E-01 RMM: 6 -0.343728032007E+03 -0.13480E-03 -0.30972E-04 3922 0.453E-02 0.196E-01 RMM: 7 -0.343727832778E+03 0.19923E-03 -0.15690E-04 3877 0.389E-02 0.100E-01 RMM: 8 -0.343727772581E+03 0.60197E-04 -0.41266E-05 3159 0.189E-02 0.360E-02 RMM: 9 -0.343727787107E+03 -0.14527E-04 -0.22384E-05 2555 0.137E-02 1771 T= 6569. E= 0.68053576E+03 F= 0.62619026E+03 E0= 0.65543641E+03 EK= 0.54346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344659367763E+03 -0.93160E+00 -0.17048E-01 8028 0.239E+01 0.382E-01 RMM: 2 -0.344668053469E+03 -0.86857E-02 -0.92479E-02 5230 0.670E-01 0.696E-01 RMM: 3 -0.344664693937E+03 0.33595E-02 -0.83993E-03 5682 0.187E-01 0.315E-01 RMM: 4 -0.344665639234E+03 -0.94530E-03 -0.22596E-03 5045 0.125E-01 0.526E-01 RMM: 5 -0.344663856660E+03 0.17826E-02 -0.11253E-03 4600 0.900E-02 0.140E-01 RMM: 6 -0.344663931690E+03 -0.75030E-04 -0.37932E-04 4101 0.505E-02 0.181E-01 RMM: 7 -0.344663758691E+03 0.17300E-03 -0.17888E-04 3878 0.415E-02 0.918E-02 RMM: 8 -0.344663711602E+03 0.47089E-04 -0.27563E-05 2839 0.165E-02 0.390E-02 RMM: 9 -0.344663727731E+03 -0.16129E-04 -0.23963E-05 2584 0.139E-02 1772 T= 6253. E= 0.67743259E+03 F= 0.62570212E+03 E0= 0.65495937E+03 EK= 0.51730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345601515243E+03 -0.93780E+00 -0.16826E-01 7776 0.233E+01 0.378E-01 RMM: 2 -0.345612369939E+03 -0.10855E-01 -0.10631E-01 5005 0.727E-01 0.764E-01 RMM: 3 -0.345608286867E+03 0.40831E-02 -0.10645E-02 5747 0.201E-01 0.288E-01 RMM: 4 -0.345609208647E+03 -0.92178E-03 -0.26964E-03 5165 0.139E-01 0.523E-01 RMM: 5 -0.345607497014E+03 0.17116E-02 -0.12927E-03 4611 0.973E-02 0.147E-01 RMM: 6 -0.345607563889E+03 -0.66875E-04 -0.33096E-04 3953 0.472E-02 0.186E-01 RMM: 7 -0.345607375541E+03 0.18835E-03 -0.20511E-04 3873 0.454E-02 0.882E-02 RMM: 8 -0.345607331904E+03 0.43637E-04 -0.34347E-05 3005 0.183E-02 0.392E-02 RMM: 9 -0.345607347290E+03 -0.15385E-04 -0.25369E-05 2551 0.151E-02 1773 T= 6015. E= 0.67497704E+03 F= 0.62521849E+03 E0= 0.65448184E+03 EK= 0.49759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346588264006E+03 -0.98093E+00 -0.15574E-01 8256 0.230E+01 0.406E-01 RMM: 2 -0.346597767040E+03 -0.95030E-02 -0.86244E-02 5244 0.643E-01 0.860E-01 RMM: 3 -0.346592720476E+03 0.50466E-02 -0.83836E-03 5559 0.192E-01 0.311E-01 RMM: 4 -0.346594003337E+03 -0.12829E-02 -0.26779E-03 5146 0.134E-01 0.564E-01 RMM: 5 -0.346591977583E+03 0.20258E-02 -0.12452E-03 4609 0.950E-02 0.159E-01 RMM: 6 -0.346591938678E+03 0.38905E-04 -0.32855E-04 3938 0.468E-02 0.149E-01 RMM: 7 -0.346591883573E+03 0.55105E-04 -0.16324E-04 3875 0.396E-02 0.123E-01 RMM: 8 -0.346591790575E+03 0.92998E-04 -0.45340E-05 3209 0.205E-02 0.365E-02 RMM: 9 -0.346591806660E+03 -0.16085E-04 -0.23534E-05 2587 0.142E-02 1774 T= 5925. E= 0.67371883E+03 F= 0.62470244E+03 E0= 0.65396980E+03 EK= 0.49016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347617220352E+03 -0.10254E+01 -0.16322E-01 8568 0.230E+01 0.421E-01 RMM: 2 -0.347629610572E+03 -0.12390E-01 -0.10305E-01 5345 0.672E-01 0.973E-01 RMM: 3 -0.347622981489E+03 0.66291E-02 -0.95030E-03 5515 0.196E-01 0.307E-01 RMM: 4 -0.347624343114E+03 -0.13616E-02 -0.28045E-03 5098 0.134E-01 0.574E-01 RMM: 5 -0.347622251709E+03 0.20914E-02 -0.12560E-03 4611 0.951E-02 0.160E-01 RMM: 6 -0.347622178084E+03 0.73625E-04 -0.28449E-04 3944 0.431E-02 0.131E-01 RMM: 7 -0.347622171906E+03 0.61779E-05 -0.13072E-04 3880 0.346E-02 1775 T= 6006. E= 0.67383076E+03 F= 0.62414287E+03 E0= 0.65341250E+03 EK= 0.49688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348674359767E+03 -0.10522E+01 -0.17679E-01 9036 0.233E+01 0.490E-01 RMM: 2 -0.348685506197E+03 -0.11146E-01 -0.10479E-01 5333 0.688E-01 0.951E-01 RMM: 3 -0.348679627231E+03 0.58790E-02 -0.10290E-02 5421 0.220E-01 0.412E-01 RMM: 4 -0.348681415652E+03 -0.17884E-02 -0.33451E-03 5129 0.144E-01 0.679E-01 RMM: 5 -0.348678383871E+03 0.30318E-02 -0.16316E-03 4608 0.108E-01 0.154E-01 RMM: 6 -0.348678383585E+03 0.28616E-06 -0.29066E-04 3897 0.428E-02 0.161E-01 RMM: 7 -0.348678309134E+03 0.74451E-04 -0.15616E-04 3892 0.363E-02 0.125E-01 RMM: 8 -0.348678216021E+03 0.93113E-04 -0.68791E-05 3482 0.238E-02 0.407E-02 RMM: 9 -0.348678251142E+03 -0.35121E-04 -0.30045E-05 2834 0.157E-02 0.766E-02 RMM: 10 -0.348678222710E+03 0.28433E-04 -0.19338E-05 2546 0.144E-02 0.242E-02 RMM: 11 -0.348678220744E+03 0.19655E-05 -0.44371E-06 2435 0.621E-03 1776 T= 6234. E= 0.67512991E+03 F= 0.62355388E+03 E0= 0.65282520E+03 EK= 0.51576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349717021447E+03 -0.10388E+01 -0.19737E-01 9072 0.237E+01 0.399E-01 RMM: 2 -0.349730190473E+03 -0.13169E-01 -0.11933E-01 5366 0.712E-01 0.897E-01 RMM: 3 -0.349724393410E+03 0.57971E-02 -0.10064E-02 5466 0.209E-01 0.323E-01 RMM: 4 -0.349725679131E+03 -0.12857E-02 -0.22702E-03 4921 0.116E-01 0.563E-01 RMM: 5 -0.349723682254E+03 0.19969E-02 -0.99563E-04 4605 0.836E-02 0.164E-01 RMM: 6 -0.349723518954E+03 0.16330E-03 -0.22906E-04 3901 0.387E-02 0.697E-02 RMM: 7 -0.349723520660E+03 -0.17059E-05 -0.59764E-05 3411 0.230E-02 1777 T= 6540. E= 0.67707307E+03 F= 0.62296783E+03 E0= 0.65224199E+03 EK= 0.54105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350704109863E+03 -0.98059E+00 -0.22278E-01 9180 0.242E+01 0.487E-01 RMM: 2 -0.350717139998E+03 -0.13030E-01 -0.12790E-01 5440 0.726E-01 0.924E-01 RMM: 3 -0.350711289488E+03 0.58505E-02 -0.10651E-02 5418 0.221E-01 0.428E-01 RMM: 4 -0.350712860909E+03 -0.15714E-02 -0.32130E-03 5196 0.139E-01 0.660E-01 RMM: 5 -0.350709927141E+03 0.29338E-02 -0.15825E-03 4607 0.106E-01 0.132E-01 RMM: 6 -0.350709938983E+03 -0.11841E-04 -0.26684E-04 3898 0.410E-02 0.147E-01 RMM: 7 -0.350709913830E+03 0.25153E-04 -0.13658E-04 3893 0.321E-02 0.138E-01 RMM: 8 -0.350709795162E+03 0.11867E-03 -0.72770E-05 3538 0.240E-02 0.383E-02 RMM: 9 -0.350709820742E+03 -0.25580E-04 -0.28828E-05 2864 0.153E-02 0.687E-02 RMM: 10 -0.350709799357E+03 0.21386E-04 -0.16101E-05 2529 0.135E-02 0.257E-02 RMM: 11 -0.350709796745E+03 0.26122E-05 -0.40353E-06 2431 0.603E-03 1778 T= 6816. E= 0.67881557E+03 F= 0.62243235E+03 E0= 0.65171008E+03 EK= 0.56383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351580610356E+03 -0.87081E+00 -0.25460E-01 9132 0.245E+01 0.413E-01 RMM: 2 -0.351594831043E+03 -0.14221E-01 -0.14869E-01 5555 0.749E-01 0.750E-01 RMM: 3 -0.351590134492E+03 0.46966E-02 -0.97236E-03 5417 0.209E-01 0.385E-01 RMM: 4 -0.351591169182E+03 -0.10347E-02 -0.21908E-03 4889 0.114E-01 0.566E-01 RMM: 5 -0.351589099992E+03 0.20692E-02 -0.98361E-04 4607 0.821E-02 0.133E-01 RMM: 6 -0.351589024915E+03 0.75078E-04 -0.20965E-04 3878 0.363E-02 0.902E-02 RMM: 7 -0.351589019421E+03 0.54937E-05 -0.65510E-05 3497 0.236E-02 1779 T= 6948. E= 0.67947803E+03 F= 0.62199833E+03 E0= 0.65128061E+03 EK= 0.57480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352323093883E+03 -0.73407E+00 -0.27780E-01 9084 0.245E+01 0.470E-01 RMM: 2 -0.352337638533E+03 -0.14545E-01 -0.15525E-01 5930 0.746E-01 0.766E-01 RMM: 3 -0.352332895697E+03 0.47428E-02 -0.85792E-03 5348 0.210E-01 0.451E-01 RMM: 4 -0.352334341236E+03 -0.14455E-02 -0.27805E-03 5113 0.129E-01 0.658E-01 RMM: 5 -0.352331512916E+03 0.28283E-02 -0.13867E-03 4609 0.991E-02 0.148E-01 RMM: 6 -0.352331485861E+03 0.27055E-04 -0.27150E-04 3908 0.414E-02 0.142E-01 RMM: 7 -0.352331479471E+03 0.63899E-05 -0.14411E-04 3892 0.337E-02 1780 T= 6878. E= 0.67860248E+03 F= 0.62170061E+03 E0= 0.65098870E+03 EK= 0.56902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352930792750E+03 -0.59931E+00 -0.29826E-01 8976 0.242E+01 0.435E-01 RMM: 2 -0.352946058862E+03 -0.15266E-01 -0.16491E-01 6084 0.761E-01 0.696E-01 RMM: 3 -0.352942030832E+03 0.40280E-02 -0.81047E-03 5347 0.206E-01 0.426E-01 RMM: 4 -0.352943089372E+03 -0.10585E-02 -0.23250E-03 5010 0.119E-01 0.593E-01 RMM: 5 -0.352940817140E+03 0.22722E-02 -0.11409E-03 4610 0.902E-02 0.148E-01 RMM: 6 -0.352940787425E+03 0.29715E-04 -0.29313E-04 3911 0.434E-02 0.138E-01 RMM: 7 -0.352940721888E+03 0.65538E-04 -0.11761E-04 3884 0.330E-02 0.935E-02 RMM: 8 -0.352940675230E+03 0.46658E-04 -0.32777E-05 3010 0.173E-02 0.407E-02 RMM: 9 -0.352940697662E+03 -0.22432E-04 -0.24851E-05 2679 0.140E-02 0.639E-02 RMM: 10 -0.352940679802E+03 0.17860E-04 -0.18798E-05 2529 0.142E-02 1781 T= 6637. E= 0.67644843E+03 F= 0.62154113E+03 E0= 0.65083700E+03 EK= 0.54907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353437074837E+03 -0.49638E+00 -0.30441E-01 8892 0.237E+01 0.400E-01 RMM: 2 -0.353453578684E+03 -0.16504E-01 -0.16521E-01 6060 0.760E-01 0.768E-01 RMM: 3 -0.353448376104E+03 0.52026E-02 -0.80858E-03 5360 0.204E-01 0.342E-01 RMM: 4 -0.353449544070E+03 -0.11680E-02 -0.21731E-03 5028 0.118E-01 0.551E-01 RMM: 5 -0.353447547479E+03 0.19966E-02 -0.88618E-04 4603 0.795E-02 0.127E-01 RMM: 6 -0.353447548230E+03 -0.75062E-06 -0.28519E-04 3913 0.427E-02 0.134E-01 RMM: 7 -0.353447468837E+03 0.79393E-04 -0.10355E-04 3840 0.314E-02 0.824E-02 RMM: 8 -0.353447428675E+03 0.40162E-04 -0.23474E-05 2733 0.148E-02 0.317E-02 RMM: 9 -0.353447439865E+03 -0.11191E-04 -0.14599E-05 2504 0.108E-02 1782 T= 6326. E= 0.67382541E+03 F= 0.62149278E+03 E0= 0.65079777E+03 EK= 0.52333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353880802708E+03 -0.43337E+00 -0.29573E-01 8940 0.232E+01 0.422E-01 RMM: 2 -0.353893510151E+03 -0.12707E-01 -0.14994E-01 6389 0.714E-01 0.529E-01 RMM: 3 -0.353891322594E+03 0.21876E-02 -0.58742E-03 5360 0.176E-01 0.468E-01 RMM: 4 -0.353891377726E+03 -0.55132E-04 -0.21435E-03 4875 0.119E-01 0.501E-01 RMM: 5 -0.353889754279E+03 0.16234E-02 -0.10153E-03 4610 0.846E-02 0.122E-01 RMM: 6 -0.353889875819E+03 -0.12154E-03 -0.33043E-04 3965 0.466E-02 0.186E-01 RMM: 7 -0.353889699060E+03 0.17676E-03 -0.13961E-04 3878 0.366E-02 0.938E-02 RMM: 8 -0.353889650529E+03 0.48531E-04 -0.38722E-05 3087 0.180E-02 0.419E-02 RMM: 9 -0.353889678113E+03 -0.27584E-04 -0.24130E-05 2596 0.143E-02 0.678E-02 RMM: 10 -0.353889655511E+03 0.22602E-04 -0.15961E-05 2523 0.126E-02 0.188E-02 RMM: 11 -0.353889655527E+03 -0.16098E-07 -0.37595E-06 2431 0.565E-03 1783 T= 6058. E= 0.67163774E+03 F= 0.62151806E+03 E0= 0.65083319E+03 EK= 0.50120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354282652296E+03 -0.39300E+00 -0.28192E-01 9012 0.229E+01 0.409E-01 RMM: 2 -0.354296785649E+03 -0.14133E-01 -0.15252E-01 5829 0.749E-01 0.664E-01 RMM: 3 -0.354292942647E+03 0.38430E-02 -0.81239E-03 5396 0.199E-01 0.376E-01 RMM: 4 -0.354293772445E+03 -0.82980E-03 -0.23989E-03 5024 0.125E-01 0.541E-01 RMM: 5 -0.354291889992E+03 0.18825E-02 -0.10600E-03 4609 0.871E-02 0.126E-01 RMM: 6 -0.354291996511E+03 -0.10652E-03 -0.31115E-04 3908 0.447E-02 0.184E-01 RMM: 7 -0.354291811658E+03 0.18485E-03 -0.13905E-04 3884 0.367E-02 0.822E-02 RMM: 8 -0.354291775051E+03 0.36607E-04 -0.26477E-05 2803 0.155E-02 0.378E-02 RMM: 9 -0.354291795575E+03 -0.20524E-04 -0.23027E-05 2577 0.136E-02 0.610E-02 RMM: 10 -0.354291778783E+03 0.16793E-04 -0.16522E-05 2509 0.128E-02 1784 T= 5917. E= 0.67053924E+03 F= 0.62158930E+03 E0= 0.65091518E+03 EK= 0.48950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354647153726E+03 -0.35536E+00 -0.25412E-01 9012 0.228E+01 0.397E-01 RMM: 2 -0.354658904878E+03 -0.11751E-01 -0.13941E-01 5964 0.714E-01 0.490E-01 RMM: 3 -0.354657017087E+03 0.18878E-02 -0.72630E-03 5403 0.187E-01 0.452E-01 RMM: 4 -0.354657144790E+03 -0.12770E-03 -0.18629E-03 4831 0.111E-01 0.496E-01 RMM: 5 -0.354655512730E+03 0.16321E-02 -0.88789E-04 4609 0.783E-02 0.987E-02 RMM: 6 -0.354655674162E+03 -0.16143E-03 -0.30325E-04 3910 0.446E-02 0.188E-01 RMM: 7 -0.354655475277E+03 0.19889E-03 -0.12706E-04 3869 0.346E-02 0.731E-02 RMM: 8 -0.354655448643E+03 0.26634E-04 -0.24453E-05 2684 0.145E-02 0.393E-02 RMM: 9 -0.354655469434E+03 -0.20791E-04 -0.23091E-05 2569 0.139E-02 0.603E-02 RMM: 10 -0.354655452736E+03 0.16697E-04 -0.15467E-05 2509 0.123E-02 1785 T= 5939. E= 0.67082972E+03 F= 0.62169898E+03 E0= 0.65103530E+03 EK= 0.49131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354953711182E+03 -0.29824E+00 -0.24131E-01 9000 0.231E+01 0.404E-01 RMM: 2 -0.354966710586E+03 -0.12999E-01 -0.13952E-01 5732 0.733E-01 0.670E-01 RMM: 3 -0.354963065200E+03 0.36454E-02 -0.86556E-03 5440 0.195E-01 0.372E-01 RMM: 4 -0.354963933383E+03 -0.86818E-03 -0.22311E-03 4947 0.117E-01 0.546E-01 RMM: 5 -0.354961955993E+03 0.19774E-02 -0.11590E-03 4608 0.912E-02 0.118E-01 RMM: 6 -0.354962054503E+03 -0.98511E-04 -0.29596E-04 3895 0.436E-02 0.174E-01 RMM: 7 -0.354961905279E+03 0.14922E-03 -0.11251E-04 3856 0.327E-02 0.890E-02 RMM: 8 -0.354961857991E+03 0.47288E-04 -0.28892E-05 2906 0.159E-02 0.351E-02 RMM: 9 -0.354961877564E+03 -0.19573E-04 -0.21631E-05 2561 0.131E-02 1786 T= 6117. E= 0.67246569E+03 F= 0.62185940E+03 E0= 0.65120452E+03 EK= 0.50606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355171309293E+03 -0.20945E+00 -0.22834E-01 9060 0.235E+01 0.404E-01 RMM: 2 -0.355184620130E+03 -0.13311E-01 -0.14324E-01 5552 0.759E-01 0.664E-01 RMM: 3 -0.355181296292E+03 0.33238E-02 -0.10452E-02 5491 0.210E-01 0.391E-01 RMM: 4 -0.355182081933E+03 -0.78564E-03 -0.20360E-03 4950 0.111E-01 0.544E-01 RMM: 5 -0.355180131976E+03 0.19500E-02 -0.99097E-04 4608 0.831E-02 0.126E-01 RMM: 6 -0.355180167677E+03 -0.35701E-04 -0.29646E-04 3908 0.435E-02 0.150E-01 RMM: 7 -0.355180093508E+03 0.74169E-04 -0.10570E-04 3826 0.308E-02 0.110E-01 RMM: 8 -0.355180020596E+03 0.72911E-04 -0.34924E-05 3051 0.174E-02 0.328E-02 RMM: 9 -0.355180041984E+03 -0.21387E-04 -0.21578E-05 2594 0.130E-02 0.607E-02 RMM: 10 -0.355180026534E+03 0.15449E-04 -0.15495E-05 2510 0.127E-02 1787 T= 6402. E= 0.67505818E+03 F= 0.62209662E+03 E0= 0.65144704E+03 EK= 0.52962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355269677632E+03 -0.89636E-01 -0.22875E-01 9012 0.240E+01 0.398E-01 RMM: 2 -0.355284520484E+03 -0.14843E-01 -0.15047E-01 5409 0.804E-01 0.745E-01 RMM: 3 -0.355280412619E+03 0.41079E-02 -0.11599E-02 5537 0.220E-01 0.356E-01 RMM: 4 -0.355281376407E+03 -0.96379E-03 -0.22170E-03 5081 0.115E-01 0.552E-01 RMM: 5 -0.355279364690E+03 0.20117E-02 -0.11217E-03 4608 0.891E-02 0.121E-01 RMM: 6 -0.355279444327E+03 -0.79636E-04 -0.25625E-04 3891 0.402E-02 0.167E-01 RMM: 7 -0.355279320664E+03 0.12366E-03 -0.10317E-04 3816 0.301E-02 0.983E-02 RMM: 8 -0.355279261967E+03 0.58698E-04 -0.38754E-05 3144 0.180E-02 0.318E-02 RMM: 9 -0.355279281929E+03 -0.19962E-04 -0.19309E-05 2545 0.124E-02 1788 T= 6701. E= 0.67787685E+03 F= 0.62243947E+03 E0= 0.65179150E+03 EK= 0.55437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355226305827E+03 0.52956E-01 -0.21891E-01 9036 0.244E+01 0.400E-01 RMM: 2 -0.355239701620E+03 -0.13396E-01 -0.13417E-01 5510 0.755E-01 0.767E-01 RMM: 3 -0.355235331199E+03 0.43704E-02 -0.10142E-02 5451 0.216E-01 0.349E-01 RMM: 4 -0.355236270825E+03 -0.93963E-03 -0.20070E-03 4964 0.108E-01 0.534E-01 RMM: 5 -0.355234420476E+03 0.18503E-02 -0.92522E-04 4608 0.802E-02 0.143E-01 RMM: 6 -0.355234392558E+03 0.27918E-04 -0.30332E-04 3940 0.442E-02 0.133E-01 RMM: 7 -0.355234350442E+03 0.42116E-04 -0.92875E-05 3727 0.285E-02 0.108E-01 RMM: 8 -0.355234276756E+03 0.73686E-04 -0.33691E-05 3021 0.173E-02 0.316E-02 RMM: 9 -0.355234297854E+03 -0.21098E-04 -0.21436E-05 2584 0.129E-02 0.609E-02 RMM: 10 -0.355234281885E+03 0.15970E-04 -0.15460E-05 2506 0.127E-02 1789 T= 6902. E= 0.68001134E+03 F= 0.62291505E+03 E0= 0.65226392E+03 EK= 0.57096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355020610276E+03 0.21369E+00 -0.21155E-01 8844 0.246E+01 0.387E-01 RMM: 2 -0.355031722981E+03 -0.11113E-01 -0.12852E-01 5374 0.743E-01 0.566E-01 RMM: 3 -0.355029341518E+03 0.23815E-02 -0.96129E-03 5486 0.211E-01 0.403E-01 RMM: 4 -0.355029814310E+03 -0.47279E-03 -0.17849E-03 4898 0.102E-01 0.514E-01 RMM: 5 -0.355028060985E+03 0.17533E-02 -0.94493E-04 4604 0.805E-02 0.972E-02 RMM: 6 -0.355028232167E+03 -0.17118E-03 -0.25759E-04 3892 0.405E-02 0.191E-01 RMM: 7 -0.355028030728E+03 0.20144E-03 -0.98111E-05 3733 0.295E-02 0.798E-02 RMM: 8 -0.355027993628E+03 0.37100E-04 -0.30819E-05 2940 0.161E-02 0.333E-02 RMM: 9 -0.355028013593E+03 -0.19965E-04 -0.20010E-05 2551 0.127E-02 1790 T= 6917. E= 0.68076446E+03 F= 0.62354481E+03 E0= 0.65288648E+03 EK= 0.57220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354652398405E+03 0.37560E+00 -0.20315E-01 8688 0.244E+01 0.388E-01 RMM: 2 -0.354662995106E+03 -0.10597E-01 -0.11487E-01 5382 0.703E-01 0.659E-01 RMM: 3 -0.354659418842E+03 0.35763E-02 -0.85219E-03 5542 0.195E-01 0.349E-01 RMM: 4 -0.354660129769E+03 -0.71093E-03 -0.19320E-03 4890 0.110E-01 0.507E-01 RMM: 5 -0.354658445712E+03 0.16841E-02 -0.89834E-04 4599 0.785E-02 0.121E-01 RMM: 6 -0.354658503533E+03 -0.57821E-04 -0.28514E-04 3902 0.424E-02 0.157E-01 RMM: 7 -0.354658402493E+03 0.10104E-03 -0.10296E-04 3762 0.304E-02 0.988E-02 RMM: 8 -0.354658342270E+03 0.60223E-04 -0.29732E-05 2936 0.162E-02 0.299E-02 RMM: 9 -0.354658366104E+03 -0.23834E-04 -0.20712E-05 2553 0.127E-02 0.628E-02 RMM: 10 -0.354658348004E+03 0.18100E-04 -0.14139E-05 2503 0.123E-02 1791 T= 6736. E= 0.68006408E+03 F= 0.62433632E+03 E0= 0.65366853E+03 EK= 0.55728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354136081548E+03 0.52228E+00 -0.19177E-01 8472 0.240E+01 0.380E-01 RMM: 2 -0.354145768538E+03 -0.96870E-02 -0.11179E-01 5200 0.708E-01 0.573E-01 RMM: 3 -0.354143339910E+03 0.24286E-02 -0.92305E-03 5602 0.198E-01 0.388E-01 RMM: 4 -0.354143915116E+03 -0.57521E-03 -0.19703E-03 5028 0.112E-01 0.514E-01 RMM: 5 -0.354142134220E+03 0.17809E-02 -0.10493E-03 4600 0.853E-02 0.956E-02 RMM: 6 -0.354142287069E+03 -0.15285E-03 -0.25445E-04 3887 0.404E-02 0.181E-01 RMM: 7 -0.354142106117E+03 0.18095E-03 -0.93492E-05 3721 0.293E-02 0.825E-02 RMM: 8 -0.354142067240E+03 0.38877E-04 -0.29778E-05 2933 0.158E-02 0.333E-02 RMM: 9 -0.354142087707E+03 -0.20466E-04 -0.20827E-05 2545 0.132E-02 0.596E-02 RMM: 10 -0.354142070845E+03 0.16862E-04 -0.13624E-05 2499 0.119E-02 1792 T= 6436. E= 0.67851754E+03 F= 0.62527716E+03 E0= 0.65459885E+03 EK= 0.53240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353513038625E+03 0.62905E+00 -0.17673E-01 8544 0.234E+01 0.379E-01 RMM: 2 -0.353521680565E+03 -0.86419E-02 -0.97884E-02 5280 0.666E-01 0.614E-01 RMM: 3 -0.353518915708E+03 0.27649E-02 -0.79750E-03 5666 0.184E-01 0.351E-01 RMM: 4 -0.353519607149E+03 -0.69144E-03 -0.19784E-03 4970 0.113E-01 0.502E-01 RMM: 5 -0.353517924278E+03 0.16829E-02 -0.10008E-03 4605 0.837E-02 0.117E-01 RMM: 6 -0.353517999109E+03 -0.74831E-04 -0.26808E-04 3887 0.415E-02 0.162E-01 RMM: 7 -0.353517870228E+03 0.12888E-03 -0.99092E-05 3752 0.306E-02 0.874E-02 RMM: 8 -0.353517825439E+03 0.44789E-04 -0.26049E-05 2808 0.152E-02 0.330E-02 RMM: 9 -0.353517847255E+03 -0.21815E-04 -0.21611E-05 2550 0.132E-02 0.609E-02 RMM: 10 -0.353517830060E+03 0.17195E-04 -0.14613E-05 2501 0.123E-02 1793 T= 6130. E= 0.67704459E+03 F= 0.62633035E+03 E0= 0.65564255E+03 EK= 0.50714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352830965170E+03 0.68688E+00 -0.16355E-01 8508 0.229E+01 0.374E-01 RMM: 2 -0.352839216552E+03 -0.82514E-02 -0.94513E-02 5269 0.652E-01 0.595E-01 RMM: 3 -0.352836665925E+03 0.25506E-02 -0.77516E-03 5615 0.182E-01 0.354E-01 RMM: 4 -0.352837363605E+03 -0.69768E-03 -0.19329E-03 4948 0.112E-01 0.503E-01 RMM: 5 -0.352835675946E+03 0.16877E-02 -0.98147E-04 4598 0.825E-02 0.118E-01 RMM: 6 -0.352835745463E+03 -0.69517E-04 -0.26140E-04 3885 0.411E-02 0.160E-01 RMM: 7 -0.352835616517E+03 0.12895E-03 -0.10029E-04 3763 0.306E-02 0.839E-02 RMM: 8 -0.352835577423E+03 0.39094E-04 -0.27227E-05 2876 0.155E-02 0.339E-02 RMM: 9 -0.352835599640E+03 -0.22217E-04 -0.20422E-05 2540 0.128E-02 0.613E-02 RMM: 10 -0.352835581921E+03 0.17719E-04 -0.13965E-05 2499 0.121E-02 1794 T= 5923. E= 0.67644731E+03 F= 0.62744416E+03 E0= 0.65674975E+03 EK= 0.49003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352136796727E+03 0.69880E+00 -0.15943E-01 8364 0.226E+01 0.363E-01 RMM: 2 -0.352144494182E+03 -0.76975E-02 -0.96229E-02 5254 0.655E-01 0.477E-01 RMM: 3 -0.352143071972E+03 0.14222E-02 -0.77509E-03 5605 0.182E-01 0.393E-01 RMM: 4 -0.352143270689E+03 -0.19872E-03 -0.16457E-03 4804 0.103E-01 0.460E-01 RMM: 5 -0.352141857308E+03 0.14134E-02 -0.84091E-04 4608 0.755E-02 0.949E-02 RMM: 6 -0.352141973569E+03 -0.11626E-03 -0.23389E-04 3881 0.388E-02 0.166E-01 RMM: 7 -0.352141811172E+03 0.16240E-03 -0.98924E-05 3756 0.304E-02 0.637E-02 RMM: 8 -0.352141793595E+03 0.17577E-04 -0.20773E-05 2596 0.133E-02 1795 T= 5879. E= 0.67720069E+03 F= 0.62856739E+03 E0= 0.65787084E+03 EK= 0.48633E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351465968176E+03 0.67584E+00 -0.16197E-01 8460 0.226E+01 0.404E-01 RMM: 2 -0.351478697239E+03 -0.12729E-01 -0.98168E-02 5239 0.671E-01 0.101E+00 RMM: 3 -0.351471649827E+03 0.70474E-02 -0.96437E-03 5393 0.219E-01 0.333E-01 RMM: 4 -0.351472708146E+03 -0.10583E-02 -0.24278E-03 5105 0.119E-01 0.526E-01 RMM: 5 -0.351471070559E+03 0.16376E-02 -0.10103E-03 4608 0.843E-02 0.212E-01 RMM: 6 -0.351470809538E+03 0.26102E-03 -0.31642E-04 3943 0.461E-02 0.902E-02 RMM: 7 -0.351470852775E+03 -0.43237E-04 -0.89715E-05 3727 0.273E-02 0.122E-01 RMM: 8 -0.351470759793E+03 0.92983E-04 -0.38884E-05 3131 0.189E-02 0.338E-02 RMM: 9 -0.351470779673E+03 -0.19880E-04 -0.23335E-05 2640 0.136E-02 1796 T= 6015. E= 0.67942230E+03 F= 0.62965977E+03 E0= 0.65896549E+03 EK= 0.49763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350836371739E+03 0.63439E+00 -0.17339E-01 8652 0.229E+01 0.398E-01 RMM: 2 -0.350852647870E+03 -0.16276E-01 -0.10913E-01 5220 0.717E-01 0.119E+00 RMM: 3 -0.350842911514E+03 0.97364E-02 -0.10778E-02 5422 0.230E-01 0.294E-01 RMM: 4 -0.350843882838E+03 -0.97132E-03 -0.24345E-03 5019 0.116E-01 0.500E-01 RMM: 5 -0.350842326920E+03 0.15559E-02 -0.89755E-04 4602 0.791E-02 0.156E-01 RMM: 6 -0.350842212166E+03 0.11475E-03 -0.19352E-04 3878 0.351E-02 0.942E-02 RMM: 7 -0.350842226126E+03 -0.13960E-04 -0.79631E-05 3625 0.251E-02 1797 T= 6306. E= 0.68285999E+03 F= 0.63069649E+03 E0= 0.66000967E+03 EK= 0.52163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350258481171E+03 0.58373E+00 -0.18888E-01 8724 0.234E+01 0.409E-01 RMM: 2 -0.350275474285E+03 -0.16993E-01 -0.13805E-01 5137 0.796E-01 0.103E+00 RMM: 3 -0.350267933070E+03 0.75412E-02 -0.13252E-02 5519 0.238E-01 0.335E-01 RMM: 4 -0.350269006174E+03 -0.10731E-02 -0.27041E-03 5161 0.125E-01 0.539E-01 RMM: 5 -0.350267209825E+03 0.17963E-02 -0.10426E-03 4596 0.840E-02 0.184E-01 RMM: 6 -0.350267028748E+03 0.18108E-03 -0.24059E-04 3889 0.391E-02 0.945E-02 RMM: 7 -0.350267084604E+03 -0.55856E-04 -0.10792E-04 3855 0.278E-02 0.134E-01 RMM: 8 -0.350266973058E+03 0.11155E-03 -0.52621E-05 3328 0.212E-02 0.365E-02 RMM: 9 -0.350266992716E+03 -0.19658E-04 -0.25261E-05 2706 0.141E-02 1798 T= 6669. E= 0.68683717E+03 F= 0.63166436E+03 E0= 0.66099140E+03 EK= 0.55173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349745151181E+03 0.52182E+00 -0.21691E-01 8748 0.240E+01 0.366E-01 RMM: 2 -0.349763079875E+03 -0.17929E-01 -0.16042E-01 5100 0.865E-01 0.915E-01 RMM: 3 -0.349756652635E+03 0.64272E-02 -0.13890E-02 5636 0.238E-01 0.254E-01 RMM: 4 -0.349757677644E+03 -0.10250E-02 -0.20923E-03 5074 0.110E-01 0.495E-01 RMM: 5 -0.349756135655E+03 0.15420E-02 -0.76058E-04 4583 0.717E-02 0.140E-01 RMM: 6 -0.349756029448E+03 0.10621E-03 -0.16747E-04 3882 0.321E-02 0.716E-02 RMM: 7 -0.349756056029E+03 -0.26581E-04 -0.57888E-05 3361 0.214E-02 0.980E-02 RMM: 8 -0.349755994093E+03 0.61936E-04 -0.35635E-05 3041 0.186E-02 0.223E-02 RMM: 9 -0.349756006250E+03 -0.12157E-04 -0.13929E-05 2508 0.103E-02 1799 T= 6980. E= 0.69029685E+03 F= 0.63255373E+03 E0= 0.66189922E+03 EK= 0.57743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349318598763E+03 0.43740E+00 -0.23205E-01 8976 0.243E+01 0.383E-01 RMM: 2 -0.349336215984E+03 -0.17617E-01 -0.16689E-01 5164 0.884E-01 0.835E-01 RMM: 3 -0.349330684144E+03 0.55318E-02 -0.13950E-02 5627 0.241E-01 0.308E-01 RMM: 4 -0.349331696035E+03 -0.10119E-02 -0.22412E-03 5079 0.114E-01 0.523E-01 RMM: 5 -0.349329909031E+03 0.17870E-02 -0.91441E-04 4595 0.778E-02 0.127E-01 RMM: 6 -0.349329861413E+03 0.47617E-04 -0.18234E-04 3875 0.335E-02 0.104E-01 RMM: 7 -0.349329854145E+03 0.72680E-05 -0.81236E-05 3631 0.247E-02 1800 T= 7109. E= 0.69215557E+03 F= 0.63334846E+03 E0= 0.66271553E+03 EK= 0.58807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349011929316E+03 0.31793E+00 -0.23216E-01 8952 0.243E+01 0.387E-01 RMM: 2 -0.349029621617E+03 -0.17692E-01 -0.16226E-01 5374 0.849E-01 0.880E-01 RMM: 3 -0.349023415021E+03 0.62066E-02 -0.12146E-02 5615 0.227E-01 0.304E-01 RMM: 4 -0.349024374958E+03 -0.95994E-03 -0.21852E-03 4974 0.113E-01 0.513E-01 RMM: 5 -0.349022691529E+03 0.16834E-02 -0.94384E-04 4597 0.801E-02 0.136E-01 RMM: 6 -0.349022680056E+03 0.11473E-04 -0.22809E-04 3886 0.378E-02 0.133E-01 RMM: 7 -0.349022673748E+03 0.63079E-05 -0.11268E-04 3877 0.298E-02 1801 T= 6997. E= 0.69190322E+03 F= 0.63402067E+03 E0= 0.66341284E+03 EK= 0.57883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348865604006E+03 0.15708E+00 -0.23776E-01 9012 0.239E+01 0.370E-01 RMM: 2 -0.348885028638E+03 -0.19425E-01 -0.16571E-01 5259 0.857E-01 0.963E-01 RMM: 3 -0.348877360983E+03 0.76677E-02 -0.12614E-02 5477 0.242E-01 0.274E-01 RMM: 4 -0.348878506575E+03 -0.11456E-02 -0.21562E-03 5126 0.112E-01 0.513E-01 RMM: 5 -0.348876858905E+03 0.16477E-02 -0.87577E-04 4601 0.776E-02 0.157E-01 RMM: 6 -0.348876774819E+03 0.84086E-04 -0.29571E-04 3922 0.438E-02 0.114E-01 RMM: 7 -0.348876782078E+03 -0.72597E-05 -0.98731E-05 3775 0.294E-02 1802 T= 6698. E= 0.68994154E+03 F= 0.63453413E+03 E0= 0.66395008E+03 EK= 0.55407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348917509928E+03 -0.40735E-01 -0.22767E-01 8928 0.234E+01 0.367E-01 RMM: 2 -0.348934931018E+03 -0.17421E-01 -0.14897E-01 5414 0.811E-01 0.938E-01 RMM: 3 -0.348927732109E+03 0.71989E-02 -0.10724E-02 5495 0.225E-01 0.292E-01 RMM: 4 -0.348928505886E+03 -0.77378E-03 -0.20987E-03 4995 0.111E-01 0.470E-01 RMM: 5 -0.348927188460E+03 0.13174E-02 -0.99536E-04 4604 0.850E-02 0.182E-01 RMM: 6 -0.348927060677E+03 0.12778E-03 -0.34614E-04 3970 0.476E-02 0.124E-01 RMM: 7 -0.348927083288E+03 -0.22611E-04 -0.13251E-04 3871 0.335E-02 0.136E-01 RMM: 8 -0.348926969570E+03 0.11372E-03 -0.50535E-05 3314 0.211E-02 0.400E-02 RMM: 9 -0.348926977003E+03 -0.74330E-05 -0.20361E-05 2571 0.127E-02 1803 T= 6339. E= 0.68729678E+03 F= 0.63485815E+03 E0= 0.66429728E+03 EK= 0.52439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349178353398E+03 -0.25138E+00 -0.21462E-01 8964 0.229E+01 0.327E-01 RMM: 2 -0.349193622964E+03 -0.15270E-01 -0.13748E-01 5470 0.771E-01 0.799E-01 RMM: 3 -0.349187882076E+03 0.57409E-02 -0.95221E-03 5455 0.211E-01 0.236E-01 RMM: 4 -0.349188756250E+03 -0.87417E-03 -0.16406E-03 4913 0.100E-01 0.462E-01 RMM: 5 -0.349187389233E+03 0.13670E-02 -0.72445E-04 4605 0.718E-02 0.101E-01 RMM: 6 -0.349187484600E+03 -0.95367E-04 -0.23548E-04 3903 0.390E-02 0.157E-01 RMM: 7 -0.349187362317E+03 0.12228E-03 -0.90380E-05 3701 0.290E-02 0.856E-02 RMM: 8 -0.349187316874E+03 0.45443E-04 -0.26618E-05 2879 0.154E-02 0.256E-02 RMM: 9 -0.349187329384E+03 -0.12510E-04 -0.12983E-05 2492 0.101E-02 1804 T= 6050. E= 0.68502629E+03 F= 0.63497955E+03 E0= 0.66443888E+03 EK= 0.50047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349639821915E+03 -0.45251E+00 -0.19691E-01 8988 0.226E+01 0.365E-01 RMM: 2 -0.349653248627E+03 -0.13427E-01 -0.12506E-01 5379 0.745E-01 0.791E-01 RMM: 3 -0.349648080045E+03 0.51686E-02 -0.93124E-03 5550 0.205E-01 0.289E-01 RMM: 4 -0.349648925522E+03 -0.84548E-03 -0.20387E-03 4976 0.112E-01 0.484E-01 RMM: 5 -0.349647435830E+03 0.14897E-02 -0.99375E-04 4608 0.844E-02 0.151E-01 RMM: 6 -0.349647417024E+03 0.18806E-04 -0.25962E-04 3894 0.407E-02 0.145E-01 RMM: 7 -0.349647356036E+03 0.60988E-04 -0.10812E-04 3850 0.312E-02 0.110E-01 RMM: 8 -0.349647281995E+03 0.74041E-04 -0.41001E-05 3171 0.189E-02 0.352E-02 RMM: 9 -0.349647298962E+03 -0.16967E-04 -0.20557E-05 2564 0.126E-02 1805 T= 5915. E= 0.68383574E+03 F= 0.63490645E+03 E0= 0.66438400E+03 EK= 0.48929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350266531838E+03 -0.61925E+00 -0.18461E-01 9036 0.227E+01 0.370E-01 RMM: 2 -0.350281034352E+03 -0.14503E-01 -0.11545E-01 5335 0.715E-01 0.964E-01 RMM: 3 -0.350273710410E+03 0.73239E-02 -0.91695E-03 5437 0.208E-01 0.270E-01 RMM: 4 -0.350274774490E+03 -0.10641E-02 -0.20387E-03 4946 0.111E-01 0.499E-01 RMM: 5 -0.350273205636E+03 0.15689E-02 -0.87895E-04 4605 0.788E-02 0.153E-01 RMM: 6 -0.350273129717E+03 0.75919E-04 -0.23460E-04 3902 0.388E-02 0.116E-01 RMM: 7 -0.350273141447E+03 -0.11730E-04 -0.10142E-04 3816 0.285E-02 1806 T= 5964. E= 0.68400521E+03 F= 0.63466792E+03 E0= 0.66416148E+03 EK= 0.49337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351006929445E+03 -0.73380E+00 -0.17667E-01 8880 0.230E+01 0.395E-01 RMM: 2 -0.351018339011E+03 -0.11410E-01 -0.10622E-01 5420 0.680E-01 0.820E-01 RMM: 3 -0.351013343493E+03 0.49955E-02 -0.79773E-03 5437 0.193E-01 0.339E-01 RMM: 4 -0.351014406327E+03 -0.10628E-02 -0.21740E-03 4885 0.114E-01 0.541E-01 RMM: 5 -0.351012511448E+03 0.18949E-02 -0.10619E-03 4604 0.857E-02 0.134E-01 RMM: 6 -0.351012527528E+03 -0.16080E-04 -0.23970E-04 3907 0.387E-02 0.148E-01 RMM: 7 -0.351012459165E+03 0.68363E-04 -0.10852E-04 3874 0.297E-02 0.109E-01 RMM: 8 -0.351012386933E+03 0.72232E-04 -0.48580E-05 3262 0.200E-02 0.370E-02 RMM: 9 -0.351012406705E+03 -0.19772E-04 -0.23702E-05 2663 0.138E-02 1807 T= 6179. E= 0.68542665E+03 F= 0.63431132E+03 E0= 0.66382036E+03 EK= 0.51115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351800161053E+03 -0.78777E+00 -0.17401E-01 8700 0.236E+01 0.354E-01 RMM: 2 -0.351812318827E+03 -0.12158E-01 -0.10333E-01 5417 0.666E-01 0.875E-01 RMM: 3 -0.351806284710E+03 0.60341E-02 -0.75964E-03 5428 0.190E-01 0.269E-01 RMM: 4 -0.351807211241E+03 -0.92653E-03 -0.16556E-03 4716 0.976E-02 0.472E-01 RMM: 5 -0.351805768097E+03 0.14431E-02 -0.71003E-04 4595 0.701E-02 0.119E-01 RMM: 6 -0.351805711130E+03 0.56967E-04 -0.15307E-04 3879 0.308E-02 0.836E-02 RMM: 7 -0.351805726767E+03 -0.15637E-04 -0.59690E-05 3403 0.217E-02 1808 T= 6493. E= 0.68760626E+03 F= 0.63389248E+03 E0= 0.66341691E+03 EK= 0.53714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352592104074E+03 -0.78639E+00 -0.17487E-01 8304 0.242E+01 0.400E-01 RMM: 2 -0.352603088464E+03 -0.10984E-01 -0.10740E-01 5378 0.702E-01 0.791E-01 RMM: 3 -0.352598663744E+03 0.44247E-02 -0.87695E-03 5532 0.199E-01 0.352E-01 RMM: 4 -0.352599635749E+03 -0.97201E-03 -0.20071E-03 4806 0.109E-01 0.536E-01 RMM: 5 -0.352597723453E+03 0.19123E-02 -0.95585E-04 4612 0.798E-02 0.128E-01 RMM: 6 -0.352597715177E+03 0.82760E-05 -0.20068E-04 3894 0.357E-02 0.130E-01 RMM: 7 -0.352597677791E+03 0.37386E-04 -0.10656E-04 3886 0.282E-02 0.112E-01 RMM: 8 -0.352597599236E+03 0.78555E-04 -0.51587E-05 3326 0.203E-02 0.376E-02 RMM: 9 -0.352597610622E+03 -0.11386E-04 -0.21481E-05 2603 0.131E-02 1809 T= 6797. E= 0.68969846E+03 F= 0.63346617E+03 E0= 0.66300702E+03 EK= 0.56232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353354052112E+03 -0.75645E+00 -0.17643E-01 8124 0.246E+01 0.374E-01 RMM: 2 -0.353368680772E+03 -0.14629E-01 -0.10976E-01 5268 0.715E-01 0.102E+00 RMM: 3 -0.353360707582E+03 0.79732E-02 -0.93064E-03 5459 0.208E-01 0.263E-01 RMM: 4 -0.353361828689E+03 -0.11211E-02 -0.19823E-03 4886 0.107E-01 0.496E-01 RMM: 5 -0.353360241139E+03 0.15876E-02 -0.78192E-04 4608 0.737E-02 0.142E-01 RMM: 6 -0.353360137765E+03 0.10337E-03 -0.17077E-04 3892 0.327E-02 0.811E-02 RMM: 7 -0.353360180389E+03 -0.42623E-04 -0.82519E-05 3671 0.249E-02 0.114E-01 RMM: 8 -0.353360097465E+03 0.82924E-04 -0.43299E-05 3174 0.198E-02 0.296E-02 RMM: 9 -0.353360101228E+03 -0.37628E-05 -0.13064E-05 2496 0.101E-02 1810 T= 6972. E= 0.69074046E+03 F= 0.63306267E+03 E0= 0.66262117E+03 EK= 0.57678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354101859810E+03 -0.74176E+00 -0.17712E-01 8112 0.246E+01 0.369E-01 RMM: 2 -0.354115322224E+03 -0.13462E-01 -0.10907E-01 5316 0.713E-01 0.947E-01 RMM: 3 -0.354108767496E+03 0.65547E-02 -0.90471E-03 5529 0.199E-01 0.284E-01 RMM: 4 -0.354109720408E+03 -0.95291E-03 -0.21049E-03 4869 0.113E-01 0.485E-01 RMM: 5 -0.354108203809E+03 0.15166E-02 -0.84150E-04 4607 0.762E-02 0.156E-01 RMM: 6 -0.354108093855E+03 0.10995E-03 -0.19739E-04 3898 0.357E-02 0.975E-02 RMM: 7 -0.354108110706E+03 -0.16852E-04 -0.89491E-05 3813 0.262E-02 1811 T= 6944. E= 0.69012072E+03 F= 0.63267152E+03 E0= 0.66225025E+03 EK= 0.57449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354889261814E+03 -0.78117E+00 -0.16959E-01 8148 0.243E+01 0.384E-01 RMM: 2 -0.354902022467E+03 -0.12761E-01 -0.99455E-02 5261 0.704E-01 0.955E-01 RMM: 3 -0.354895478464E+03 0.65440E-02 -0.94206E-03 5507 0.205E-01 0.315E-01 RMM: 4 -0.354896082776E+03 -0.60431E-03 -0.20076E-03 4836 0.109E-01 0.452E-01 RMM: 5 -0.354894784035E+03 0.12987E-02 -0.87688E-04 4607 0.787E-02 0.163E-01 RMM: 6 -0.354894698213E+03 0.85823E-04 -0.22913E-04 3903 0.386E-02 0.124E-01 RMM: 7 -0.354894720704E+03 -0.22491E-04 -0.14383E-04 3900 0.334E-02 0.136E-01 RMM: 8 -0.354894606565E+03 0.11414E-03 -0.72489E-05 3514 0.247E-02 0.401E-02 RMM: 9 -0.354894611769E+03 -0.52040E-05 -0.18834E-05 2564 0.125E-02 1812 T= 6734. E= 0.68795087E+03 F= 0.63224475E+03 E0= 0.66184540E+03 EK= 0.55706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355775718294E+03 -0.88111E+00 -0.16438E-01 8136 0.238E+01 0.344E-01 RMM: 2 -0.355791332439E+03 -0.15614E-01 -0.97247E-02 5158 0.702E-01 0.115E+00 RMM: 3 -0.355782090609E+03 0.92418E-02 -0.96418E-03 5493 0.210E-01 0.258E-01 RMM: 4 -0.355782536348E+03 -0.44574E-03 -0.18889E-03 4825 0.105E-01 0.389E-01 RMM: 5 -0.355781700427E+03 0.83592E-03 -0.81541E-04 4606 0.766E-02 0.194E-01 RMM: 6 -0.355781493824E+03 0.20660E-03 -0.28439E-04 3918 0.445E-02 0.925E-02 RMM: 7 -0.355781560997E+03 -0.67173E-04 -0.11167E-04 3869 0.298E-02 0.135E-01 RMM: 8 -0.355781447189E+03 0.11381E-03 -0.55469E-05 3364 0.221E-02 0.458E-02 RMM: 9 -0.355781437082E+03 0.10107E-04 -0.12355E-05 2494 0.105E-02 1813 T= 6436. E= 0.68497016E+03 F= 0.63172445E+03 E0= 0.66135009E+03 EK= 0.53246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356799181017E+03 -0.10177E+01 -0.15352E-01 8412 0.233E+01 0.349E-01 RMM: 2 -0.356809226197E+03 -0.10045E-01 -0.79980E-02 5395 0.600E-01 0.857E-01 RMM: 3 -0.356803744963E+03 0.54812E-02 -0.60465E-03 5375 0.172E-01 0.268E-01 RMM: 4 -0.356804678639E+03 -0.93368E-03 -0.19874E-03 4764 0.113E-01 0.478E-01 RMM: 5 -0.356803296992E+03 0.13816E-02 -0.90899E-04 4606 0.815E-02 0.172E-01 RMM: 6 -0.356803182709E+03 0.11428E-03 -0.25231E-04 3904 0.404E-02 0.118E-01 RMM: 7 -0.356803168977E+03 0.13732E-04 -0.13919E-04 3886 0.356E-02 1814 T= 6167. E= 0.68209243E+03 F= 0.63107756E+03 E0= 0.66073030E+03 EK= 0.51015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357945591727E+03 -0.11424E+01 -0.14747E-01 8328 0.230E+01 0.390E-01 RMM: 2 -0.357956370703E+03 -0.10779E-01 -0.77730E-02 5383 0.612E-01 0.998E-01 RMM: 3 -0.357949530754E+03 0.68399E-02 -0.67469E-03 5445 0.182E-01 0.285E-01 RMM: 4 -0.357950566957E+03 -0.10362E-02 -0.23837E-03 4954 0.122E-01 0.506E-01 RMM: 5 -0.357949091694E+03 0.14753E-02 -0.11158E-03 4612 0.906E-02 0.205E-01 RMM: 6 -0.357948889323E+03 0.20237E-03 -0.29412E-04 3922 0.445E-02 0.119E-01 RMM: 7 -0.357948944662E+03 -0.55339E-04 -0.17340E-04 3895 0.381E-02 0.148E-01 RMM: 8 -0.357948808939E+03 0.13572E-03 -0.80914E-05 3612 0.265E-02 0.471E-02 RMM: 9 -0.357948810324E+03 -0.13856E-05 -0.21409E-05 2625 0.136E-02 1815 T= 6008. E= 0.68001699E+03 F= 0.63031374E+03 E0= 0.65999619E+03 EK= 0.49703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359159694934E+03 -0.12109E+01 -0.14681E-01 8376 0.229E+01 0.343E-01 RMM: 2 -0.359171986624E+03 -0.12292E-01 -0.74401E-02 5387 0.586E-01 0.107E+00 RMM: 3 -0.359163843174E+03 0.81435E-02 -0.71757E-03 5385 0.186E-01 0.250E-01 RMM: 4 -0.359164623626E+03 -0.78045E-03 -0.18700E-03 4671 0.104E-01 0.430E-01 RMM: 5 -0.359163494616E+03 0.11290E-02 -0.75056E-04 4601 0.735E-02 0.163E-01 RMM: 6 -0.359163338798E+03 0.15582E-03 -0.18649E-04 3901 0.354E-02 0.699E-02 RMM: 7 -0.359163388051E+03 -0.49253E-04 -0.65585E-05 3501 0.229E-02 0.111E-01 RMM: 8 -0.359163312197E+03 0.75854E-04 -0.33305E-05 2999 0.181E-02 0.370E-02 RMM: 9 -0.359163306241E+03 0.59568E-05 -0.10027E-05 2471 0.930E-03 1816 T= 5996. E= 0.67909061E+03 F= 0.62948444E+03 E0= 0.65919769E+03 EK= 0.49606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360357237643E+03 -0.11939E+01 -0.15536E-01 8280 0.231E+01 0.416E-01 RMM: 2 -0.360372457964E+03 -0.15220E-01 -0.83571E-02 5331 0.639E-01 0.129E+00 RMM: 3 -0.360361275445E+03 0.11183E-01 -0.94247E-03 5401 0.217E-01 0.270E-01 RMM: 4 -0.360362689973E+03 -0.14145E-02 -0.27947E-03 4982 0.130E-01 0.547E-01 RMM: 5 -0.360360902342E+03 0.17876E-02 -0.98199E-04 4615 0.823E-02 0.198E-01 RMM: 6 -0.360360672801E+03 0.22954E-03 -0.23224E-04 3894 0.388E-02 0.857E-02 RMM: 7 -0.360360724521E+03 -0.51721E-04 -0.11320E-04 3875 0.297E-02 0.126E-01 RMM: 8 -0.360360623944E+03 0.10058E-03 -0.51807E-05 3342 0.214E-02 0.300E-02 RMM: 9 -0.360360633251E+03 -0.93068E-05 -0.14752E-05 2514 0.107E-02 1817 T= 6122. E= 0.67932032E+03 F= 0.62867115E+03 E0= 0.65841536E+03 EK= 0.50649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361436972001E+03 -0.10763E+01 -0.17172E-01 8556 0.235E+01 0.383E-01 RMM: 2 -0.361448500476E+03 -0.11528E-01 -0.96287E-02 5286 0.667E-01 0.916E-01 RMM: 3 -0.361442856779E+03 0.56437E-02 -0.97900E-03 5410 0.211E-01 0.326E-01 RMM: 4 -0.361443898921E+03 -0.10421E-02 -0.21775E-03 4839 0.113E-01 0.508E-01 RMM: 5 -0.361442243714E+03 0.16552E-02 -0.84007E-04 4600 0.755E-02 0.169E-01 RMM: 6 -0.361442073819E+03 0.16989E-03 -0.17664E-04 3898 0.335E-02 0.672E-02 RMM: 7 -0.361442136996E+03 -0.63177E-04 -0.76520E-05 3641 0.236E-02 0.118E-01 RMM: 8 -0.361442047182E+03 0.89814E-04 -0.40136E-05 3122 0.194E-02 0.279E-02 RMM: 9 -0.361442055373E+03 -0.81911E-05 -0.15782E-05 2507 0.111E-02 1818 T= 6339. E= 0.68040703E+03 F= 0.62796874E+03 E0= 0.65774215E+03 EK= 0.52438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362309563526E+03 -0.86752E+00 -0.18271E-01 8616 0.239E+01 0.405E-01 RMM: 2 -0.362323718015E+03 -0.14154E-01 -0.10440E-01 5405 0.696E-01 0.109E+00 RMM: 3 -0.362315444405E+03 0.82736E-02 -0.96655E-03 5446 0.209E-01 0.275E-01 RMM: 4 -0.362316777865E+03 -0.13335E-02 -0.25466E-03 4892 0.122E-01 0.535E-01 RMM: 5 -0.362314964101E+03 0.18138E-02 -0.94162E-04 4612 0.797E-02 0.157E-01 RMM: 6 -0.362314831343E+03 0.13276E-03 -0.17868E-04 3896 0.335E-02 0.835E-02 RMM: 7 -0.362314874711E+03 -0.43369E-04 -0.92990E-05 3785 0.255E-02 0.118E-01 RMM: 8 -0.362314787012E+03 0.87699E-04 -0.50018E-05 3268 0.208E-02 0.356E-02 RMM: 9 -0.362314788854E+03 -0.18420E-05 -0.14929E-05 2509 0.109E-02 1819 T= 6567. E= 0.68179544E+03 F= 0.62746801E+03 E0= 0.65726723E+03 EK= 0.54327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362905459926E+03 -0.59067E+00 -0.19926E-01 8916 0.243E+01 0.387E-01 RMM: 2 -0.362918197312E+03 -0.12737E-01 -0.11200E-01 5453 0.696E-01 0.911E-01 RMM: 3 -0.362912276755E+03 0.59206E-02 -0.90619E-03 5384 0.203E-01 0.316E-01 RMM: 4 -0.362913483793E+03 -0.12070E-02 -0.21249E-03 4789 0.110E-01 0.534E-01 RMM: 5 -0.362911631966E+03 0.18518E-02 -0.85944E-04 4604 0.758E-02 0.138E-01 RMM: 6 -0.362911532973E+03 0.98992E-04 -0.17277E-04 3895 0.327E-02 0.789E-02 RMM: 7 -0.362911582850E+03 -0.49877E-04 -0.76888E-05 3633 0.235E-02 0.121E-01 RMM: 8 -0.362911491023E+03 0.91827E-04 -0.44247E-05 3186 0.199E-02 0.300E-02 RMM: 9 -0.362911501468E+03 -0.10445E-04 -0.17514E-05 2524 0.117E-02 1820 T= 6720. E= 0.68282501E+03 F= 0.62723662E+03 E0= 0.65705601E+03 EK= 0.55588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363202904273E+03 -0.29141E+00 -0.20524E-01 9000 0.243E+01 0.379E-01 RMM: 2 -0.363217192494E+03 -0.14288E-01 -0.11552E-01 5512 0.697E-01 0.988E-01 RMM: 3 -0.363209705021E+03 0.74875E-02 -0.79990E-03 5376 0.193E-01 0.261E-01 RMM: 4 -0.363210853502E+03 -0.11485E-02 -0.22336E-03 4826 0.114E-01 0.503E-01 RMM: 5 -0.363209283942E+03 0.15696E-02 -0.81774E-04 4601 0.740E-02 0.158E-01 RMM: 6 -0.363209146428E+03 0.13751E-03 -0.17175E-04 3882 0.329E-02 0.806E-02 RMM: 7 -0.363209166551E+03 -0.20123E-04 -0.86065E-05 3708 0.253E-02 0.102E-01 RMM: 8 -0.363209102509E+03 0.64042E-04 -0.40761E-05 3153 0.192E-02 0.261E-02 RMM: 9 -0.363209114496E+03 -0.11987E-04 -0.15051E-05 2504 0.108E-02 1821 T= 6734. E= 0.68301090E+03 F= 0.62729979E+03 E0= 0.65713255E+03 EK= 0.55711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363230538457E+03 -0.21436E-01 -0.21403E-01 8808 0.241E+01 0.351E-01 RMM: 2 -0.363243335970E+03 -0.12798E-01 -0.12064E-01 5504 0.702E-01 0.782E-01 RMM: 3 -0.363238224639E+03 0.51113E-02 -0.78454E-03 5395 0.193E-01 0.294E-01 RMM: 4 -0.363239135730E+03 -0.91109E-03 -0.18432E-03 4801 0.105E-01 0.483E-01 RMM: 5 -0.363237624466E+03 0.15113E-02 -0.77709E-04 4601 0.723E-02 0.122E-01 RMM: 6 -0.363237588484E+03 0.35981E-04 -0.16737E-04 3878 0.323E-02 0.104E-01 RMM: 7 -0.363237595196E+03 -0.67116E-05 -0.81201E-05 3679 0.253E-02 1822 T= 6609. E= 0.68230299E+03 F= 0.62763039E+03 E0= 0.65746960E+03 EK= 0.54673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363064172095E+03 0.17342E+00 -0.21678E-01 8820 0.238E+01 0.354E-01 RMM: 2 -0.363076212328E+03 -0.12040E-01 -0.11729E-01 5601 0.689E-01 0.720E-01 RMM: 3 -0.363071663215E+03 0.45491E-02 -0.66659E-03 5374 0.179E-01 0.301E-01 RMM: 4 -0.363072593457E+03 -0.93024E-03 -0.19113E-03 4809 0.108E-01 0.498E-01 RMM: 5 -0.363070981744E+03 0.16117E-02 -0.92536E-04 4603 0.800E-02 0.108E-01 RMM: 6 -0.363071076125E+03 -0.94381E-04 -0.24426E-04 3895 0.390E-02 0.165E-01 RMM: 7 -0.363070950189E+03 0.12594E-03 -0.10954E-04 3871 0.314E-02 0.907E-02 RMM: 8 -0.363070902016E+03 0.48172E-04 -0.30756E-05 2954 0.164E-02 0.339E-02 RMM: 9 -0.363070921954E+03 -0.19938E-04 -0.21916E-05 2561 0.131E-02 1823 T= 6400. E= 0.68110313E+03 F= 0.62815669E+03 E0= 0.65799782E+03 EK= 0.52946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362794902631E+03 0.27600E+00 -0.21299E-01 8796 0.233E+01 0.288E-01 RMM: 2 -0.362806535937E+03 -0.11633E-01 -0.11556E-01 5461 0.691E-01 0.612E-01 RMM: 3 -0.362802758155E+03 0.37778E-02 -0.70478E-03 5454 0.184E-01 0.245E-01 RMM: 4 -0.362803307448E+03 -0.54929E-03 -0.14019E-03 4776 0.932E-02 0.395E-01 RMM: 5 -0.362802329991E+03 0.97746E-03 -0.61815E-04 4581 0.665E-02 0.124E-01 RMM: 6 -0.362802293106E+03 0.36885E-04 -0.18049E-04 3881 0.343E-02 0.103E-01 RMM: 7 -0.362802281680E+03 0.11426E-04 -0.66312E-05 3525 0.246E-02 1824 T= 6194. E= 0.68002780E+03 F= 0.62878610E+03 E0= 0.65862683E+03 EK= 0.51242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362508449452E+03 0.29384E+00 -0.20555E-01 8808 0.230E+01 0.359E-01 RMM: 2 -0.362519238786E+03 -0.10789E-01 -0.11289E-01 5460 0.698E-01 0.623E-01 RMM: 3 -0.362515912838E+03 0.33259E-02 -0.72992E-03 5424 0.187E-01 0.322E-01 RMM: 4 -0.362516690930E+03 -0.77809E-03 -0.18612E-03 4935 0.108E-01 0.493E-01 RMM: 5 -0.362515089286E+03 0.16016E-02 -0.10319E-03 4599 0.849E-02 0.107E-01 RMM: 6 -0.362515227400E+03 -0.13811E-03 -0.25725E-04 3902 0.407E-02 0.181E-01 RMM: 7 -0.362515061610E+03 0.16579E-03 -0.11597E-04 3878 0.327E-02 0.943E-02 RMM: 8 -0.362515010834E+03 0.50776E-04 -0.39229E-05 3125 0.180E-02 0.376E-02 RMM: 9 -0.362515033115E+03 -0.22281E-04 -0.21541E-05 2560 0.132E-02 0.631E-02 RMM: 10 -0.362515016573E+03 0.16542E-04 -0.16220E-05 2507 0.126E-02 1825 T= 6067. E= 0.67962280E+03 F= 0.62943395E+03 E0= 0.65927480E+03 EK= 0.50189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362257651397E+03 0.25738E+00 -0.19914E-01 8448 0.229E+01 0.266E-01 RMM: 2 -0.362267940456E+03 -0.10289E-01 -0.11138E-01 5277 0.696E-01 0.432E-01 RMM: 3 -0.362265693783E+03 0.22467E-02 -0.76629E-03 5557 0.188E-01 0.254E-01 RMM: 4 -0.362265954464E+03 -0.26068E-03 -0.10861E-03 4729 0.833E-02 0.343E-01 RMM: 5 -0.362265184105E+03 0.77036E-03 -0.49441E-04 4527 0.590E-02 0.947E-02 RMM: 6 -0.362265209532E+03 -0.25427E-04 -0.15599E-04 3878 0.320E-02 0.116E-01 RMM: 7 -0.362265148453E+03 0.61079E-04 -0.59017E-05 3428 0.237E-02 0.649E-02 RMM: 8 -0.362265123843E+03 0.24611E-04 -0.14924E-05 2526 0.120E-02 0.221E-02 RMM: 9 -0.362265128962E+03 -0.51197E-05 -0.82806E-06 2450 0.804E-03 1826 T= 6063. E= 0.68019752E+03 F= 0.63004128E+03 E0= 0.65988645E+03 EK= 0.50156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362068629915E+03 0.19649E+00 -0.19685E-01 8556 0.231E+01 0.330E-01 RMM: 2 -0.362078056379E+03 -0.94265E-02 -0.10340E-01 5473 0.675E-01 0.528E-01 RMM: 3 -0.362075611325E+03 0.24451E-02 -0.65998E-03 5431 0.178E-01 0.314E-01 RMM: 4 -0.362076103775E+03 -0.49245E-03 -0.12824E-03 4732 0.880E-02 0.441E-01 RMM: 5 -0.362074842327E+03 0.12614E-02 -0.68911E-04 4577 0.690E-02 0.957E-02 RMM: 6 -0.362074887603E+03 -0.45277E-04 -0.19353E-04 3889 0.351E-02 0.130E-01 RMM: 7 -0.362074810982E+03 0.76621E-04 -0.72628E-05 3553 0.255E-02 0.775E-02 RMM: 8 -0.362074775466E+03 0.35517E-04 -0.20456E-05 2563 0.136E-02 0.278E-02 RMM: 9 -0.362074790435E+03 -0.14969E-04 -0.15855E-05 2505 0.111E-02 1827 T= 6188. E= 0.68177160E+03 F= 0.63058254E+03 E0= 0.66043742E+03 EK= 0.51189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361927003299E+03 0.14777E+00 -0.19882E-01 8628 0.235E+01 0.319E-01 RMM: 2 -0.361937663261E+03 -0.10660E-01 -0.10936E-01 5198 0.713E-01 0.604E-01 RMM: 3 -0.361934642552E+03 0.30207E-02 -0.81720E-03 5607 0.191E-01 0.267E-01 RMM: 4 -0.361935152322E+03 -0.50977E-03 -0.14346E-03 4819 0.930E-02 0.412E-01 RMM: 5 -0.361934047536E+03 0.11048E-02 -0.68307E-04 4599 0.689E-02 0.102E-01 RMM: 6 -0.361934052294E+03 -0.47578E-05 -0.14396E-04 3879 0.303E-02 1828 T= 6406. E= 0.68406103E+03 F= 0.63106506E+03 E0= 0.66093690E+03 EK= 0.52996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361808340515E+03 0.12571E+00 -0.20763E-01 8772 0.240E+01 0.430E-01 RMM: 2 -0.361834082026E+03 -0.25742E-01 -0.11612E-01 5206 0.769E-01 0.164E+00 RMM: 3 -0.361815470557E+03 0.18611E-01 -0.13777E-02 5358 0.277E-01 0.306E-01 RMM: 4 -0.361816105691E+03 -0.63513E-03 -0.24729E-03 5185 0.113E-01 0.449E-01 RMM: 5 -0.361814942652E+03 0.11630E-02 -0.71426E-04 4603 0.690E-02 0.199E-01 RMM: 6 -0.361814729129E+03 0.21352E-03 -0.24381E-04 3889 0.399E-02 0.976E-02 RMM: 7 -0.361814834425E+03 -0.10530E-03 -0.13759E-04 3880 0.309E-02 0.158E-01 RMM: 8 -0.361814680525E+03 0.15390E-03 -0.73006E-05 3546 0.247E-02 0.453E-02 RMM: 9 -0.361814679516E+03 0.10086E-05 -0.20947E-05 2582 0.130E-02 1829 T= 6646. E= 0.68649703E+03 F= 0.63151621E+03 E0= 0.66141114E+03 EK= 0.54981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361683682205E+03 0.13100E+00 -0.21172E-01 8508 0.244E+01 0.394E-01 RMM: 2 -0.361713120775E+03 -0.29439E-01 -0.11966E-01 5172 0.778E-01 0.176E+00 RMM: 3 -0.361691381410E+03 0.21739E-01 -0.13586E-02 5357 0.275E-01 0.290E-01 RMM: 4 -0.361691691618E+03 -0.31021E-03 -0.24715E-03 5199 0.113E-01 0.389E-01 RMM: 5 -0.361690995275E+03 0.69634E-03 -0.64913E-04 4601 0.678E-02 0.230E-01 RMM: 6 -0.361690656614E+03 0.33866E-03 -0.20717E-04 3889 0.380E-02 0.559E-02 RMM: 7 -0.361690718780E+03 -0.62166E-04 -0.94866E-05 3709 0.252E-02 0.115E-01 RMM: 8 -0.361690638108E+03 0.80672E-04 -0.48617E-05 3251 0.213E-02 0.373E-02 RMM: 9 -0.361690633042E+03 0.50657E-05 -0.11088E-05 2488 0.958E-03 1830 T= 6817. E= 0.68836124E+03 F= 0.63196326E+03 E0= 0.66188796E+03 EK= 0.56398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361555024937E+03 0.13561E+00 -0.21611E-01 8688 0.246E+01 0.375E-01 RMM: 2 -0.361574769690E+03 -0.19745E-01 -0.11625E-01 5161 0.773E-01 0.132E+00 RMM: 3 -0.361562843442E+03 0.11926E-01 -0.11936E-02 5367 0.250E-01 0.309E-01 RMM: 4 -0.361563021010E+03 -0.17757E-03 -0.20658E-03 5039 0.106E-01 0.369E-01 RMM: 5 -0.361562274369E+03 0.74664E-03 -0.61186E-04 4584 0.642E-02 0.187E-01 RMM: 6 -0.361562075828E+03 0.19854E-03 -0.18882E-04 3884 0.354E-02 0.862E-02 RMM: 7 -0.361562151350E+03 -0.75522E-04 -0.13267E-04 3885 0.302E-02 0.140E-01 RMM: 8 -0.361562029359E+03 0.12199E-03 -0.71707E-05 3525 0.248E-02 0.381E-02 RMM: 9 -0.361562030834E+03 -0.14743E-05 -0.15814E-05 2532 0.112E-02 1831 T= 6850. E= 0.68908030E+03 F= 0.63240894E+03 E0= 0.66236652E+03 EK= 0.56671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361463281890E+03 0.98747E-01 -0.21333E-01 8796 0.245E+01 0.348E-01 RMM: 2 -0.361483073406E+03 -0.19792E-01 -0.11349E-01 5205 0.768E-01 0.132E+00 RMM: 3 -0.361471021449E+03 0.12052E-01 -0.11026E-02 5439 0.234E-01 0.243E-01 RMM: 4 -0.361471371229E+03 -0.34978E-03 -0.17416E-03 4900 0.984E-02 0.364E-01 RMM: 5 -0.361470690695E+03 0.68053E-03 -0.61322E-04 4597 0.659E-02 0.194E-01 RMM: 6 -0.361470492823E+03 0.19787E-03 -0.23029E-04 3888 0.393E-02 0.951E-02 RMM: 7 -0.361470582447E+03 -0.89624E-04 -0.12688E-04 3883 0.300E-02 0.148E-01 RMM: 8 -0.361470442365E+03 0.14008E-03 -0.64697E-05 3471 0.239E-02 0.356E-02 RMM: 9 -0.361470444850E+03 -0.24849E-05 -0.15057E-05 2513 0.110E-02 1832 T= 6735. E= 0.68852994E+03 F= 0.63281519E+03 E0= 0.66280697E+03 EK= 0.55715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361479771337E+03 -0.93290E-02 -0.20182E-01 8496 0.241E+01 0.322E-01 RMM: 2 -0.361497532347E+03 -0.17761E-01 -0.12326E-01 5111 0.806E-01 0.110E+00 RMM: 3 -0.361489042776E+03 0.84896E-02 -0.11712E-02 5433 0.236E-01 0.284E-01 RMM: 4 -0.361489009636E+03 0.33139E-04 -0.16967E-03 4962 0.977E-02 0.301E-01 RMM: 5 -0.361488523670E+03 0.48597E-03 -0.62063E-04 4592 0.661E-02 0.173E-01 RMM: 6 -0.361488405606E+03 0.11806E-03 -0.22575E-04 3893 0.392E-02 0.114E-01 RMM: 7 -0.361488461549E+03 -0.55943E-04 -0.13549E-04 3882 0.319E-02 0.148E-01 RMM: 8 -0.361488328102E+03 0.13345E-03 -0.67806E-05 3490 0.243E-02 0.408E-02 RMM: 9 -0.361488326557E+03 0.15448E-05 -0.14995E-05 2518 0.109E-02 1833 T= 6525. E= 0.68709460E+03 F= 0.63311260E+03 E0= 0.66313700E+03 EK= 0.53982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361677268039E+03 -0.18894E+00 -0.18047E-01 8064 0.237E+01 0.333E-01 RMM: 2 -0.361696112783E+03 -0.18845E-01 -0.10423E-01 5164 0.757E-01 0.131E+00 RMM: 3 -0.361684481981E+03 0.11631E-01 -0.10712E-02 5422 0.231E-01 0.240E-01 RMM: 4 -0.361684729738E+03 -0.24776E-03 -0.16179E-03 4866 0.947E-02 0.336E-01 RMM: 5 -0.361684156098E+03 0.57364E-03 -0.61898E-04 4600 0.669E-02 0.193E-01 RMM: 6 -0.361683973762E+03 0.18234E-03 -0.23197E-04 3886 0.393E-02 0.102E-01 RMM: 7 -0.361684017539E+03 -0.43777E-04 -0.11758E-04 3865 0.304E-02 0.131E-01 RMM: 8 -0.361683910747E+03 0.10679E-03 -0.52692E-05 3346 0.216E-02 0.311E-02 RMM: 9 -0.361683919335E+03 -0.85876E-05 -0.14913E-05 2506 0.109E-02 1834 T= 6309. E= 0.68542830E+03 F= 0.63323450E+03 E0= 0.66328830E+03 EK= 0.52194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362081258883E+03 -0.39735E+00 -0.16505E-01 7872 0.234E+01 0.321E-01 RMM: 2 -0.362094702901E+03 -0.13444E-01 -0.83883E-02 5126 0.686E-01 0.109E+00 RMM: 3 -0.362086828688E+03 0.78742E-02 -0.86986E-03 5389 0.208E-01 0.267E-01 RMM: 4 -0.362086952401E+03 -0.12371E-03 -0.16337E-03 4853 0.972E-02 0.318E-01 RMM: 5 -0.362086447307E+03 0.50509E-03 -0.59687E-04 4579 0.647E-02 0.190E-01 RMM: 6 -0.362086253656E+03 0.19365E-03 -0.20146E-04 3882 0.371E-02 0.874E-02 RMM: 7 -0.362086316080E+03 -0.62425E-04 -0.10504E-04 3823 0.286E-02 0.131E-01 RMM: 8 -0.362086208719E+03 0.10736E-03 -0.48301E-05 3279 0.211E-02 0.336E-02 RMM: 9 -0.362086210211E+03 -0.14921E-05 -0.12433E-05 2489 0.979E-03 1835 T= 6163. E= 0.68413574E+03 F= 0.63315170E+03 E0= 0.66323079E+03 EK= 0.50984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362667716687E+03 -0.58151E+00 -0.15600E-01 7860 0.232E+01 0.333E-01 RMM: 2 -0.362679371133E+03 -0.11654E-01 -0.74344E-02 5077 0.653E-01 0.104E+00 RMM: 3 -0.362672267156E+03 0.71040E-02 -0.79620E-03 5394 0.199E-01 0.250E-01 RMM: 4 -0.362672880376E+03 -0.61322E-03 -0.17030E-03 4893 0.100E-01 0.405E-01 RMM: 5 -0.362671973780E+03 0.90660E-03 -0.61784E-04 4593 0.655E-02 0.190E-01 RMM: 6 -0.362671757890E+03 0.21589E-03 -0.19262E-04 3892 0.363E-02 0.741E-02 RMM: 7 -0.362671822034E+03 -0.64143E-04 -0.10144E-04 3771 0.270E-02 0.124E-01 RMM: 8 -0.362671727127E+03 0.94907E-04 -0.48326E-05 3274 0.212E-02 0.353E-02 RMM: 9 -0.362671726995E+03 0.13162E-06 -0.13605E-05 2496 0.104E-02 1836 T= 6128. E= 0.68358423E+03 F= 0.63288588E+03 E0= 0.66298580E+03 EK= 0.50698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363375199430E+03 -0.70347E+00 -0.15394E-01 8004 0.233E+01 0.346E-01 RMM: 2 -0.363387490421E+03 -0.12291E-01 -0.74964E-02 5177 0.652E-01 0.110E+00 RMM: 3 -0.363379609662E+03 0.78808E-02 -0.78450E-03 5392 0.198E-01 0.255E-01 RMM: 4 -0.363380338243E+03 -0.72858E-03 -0.19493E-03 4905 0.107E-01 0.429E-01 RMM: 5 -0.363379250905E+03 0.10873E-02 -0.66659E-04 4591 0.672E-02 0.165E-01 RMM: 6 -0.363379094261E+03 0.15664E-03 -0.15166E-04 3875 0.315E-02 0.698E-02 RMM: 7 -0.363379144493E+03 -0.50232E-04 -0.79297E-05 3589 0.238E-02 0.114E-01 RMM: 8 -0.363379065749E+03 0.78744E-04 -0.42453E-05 3163 0.202E-02 0.343E-02 RMM: 9 -0.363379067488E+03 -0.17386E-05 -0.13484E-05 2488 0.102E-02 1837 T= 6208. E= 0.68385162E+03 F= 0.63249590E+03 E0= 0.66261273E+03 EK= 0.51356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364122655063E+03 -0.74359E+00 -0.15426E-01 8136 0.235E+01 0.362E-01 RMM: 2 -0.364135134249E+03 -0.12479E-01 -0.82608E-02 5250 0.678E-01 0.108E+00 RMM: 3 -0.364127571003E+03 0.75632E-02 -0.87329E-03 5408 0.210E-01 0.297E-01 RMM: 4 -0.364128239156E+03 -0.66815E-03 -0.19545E-03 4882 0.106E-01 0.439E-01 RMM: 5 -0.364127124037E+03 0.11151E-02 -0.63841E-04 4606 0.655E-02 0.189E-01 RMM: 6 -0.364126899648E+03 0.22439E-03 -0.16150E-04 3881 0.329E-02 0.613E-02 RMM: 7 -0.364126952432E+03 -0.52784E-04 -0.82370E-05 3609 0.239E-02 0.113E-01 RMM: 8 -0.364126874950E+03 0.77482E-04 -0.46021E-05 3203 0.204E-02 0.346E-02 RMM: 9 -0.364126878375E+03 -0.34253E-05 -0.19427E-05 2530 0.125E-02 1838 T= 6368. E= 0.68474209E+03 F= 0.63206084E+03 E0= 0.66219101E+03 EK= 0.52681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364832956789E+03 -0.70608E+00 -0.15552E-01 8124 0.238E+01 0.346E-01 RMM: 2 -0.364843564496E+03 -0.10608E-01 -0.86881E-02 5260 0.683E-01 0.903E-01 RMM: 3 -0.364838446800E+03 0.51177E-02 -0.83381E-03 5502 0.193E-01 0.274E-01 RMM: 4 -0.364839229562E+03 -0.78276E-03 -0.18211E-03 4763 0.103E-01 0.456E-01 RMM: 5 -0.364837898407E+03 0.13312E-02 -0.72074E-04 4586 0.694E-02 0.114E-01 RMM: 6 -0.364837838405E+03 0.60002E-04 -0.10656E-04 3764 0.258E-02 0.736E-02 RMM: 7 -0.364837859432E+03 -0.21027E-04 -0.62939E-05 3449 0.211E-02 0.993E-02 RMM: 8 -0.364837800336E+03 0.59096E-04 -0.41123E-05 3100 0.195E-02 0.303E-02 RMM: 9 -0.364837811165E+03 -0.10830E-04 -0.16053E-05 2513 0.111E-02 1839 T= 6549. E= 0.68583411E+03 F= 0.63165688E+03 E0= 0.66179798E+03 EK= 0.54177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365447626817E+03 -0.60983E+00 -0.15847E-01 8148 0.241E+01 0.343E-01 RMM: 2 -0.365458013007E+03 -0.10386E-01 -0.88317E-02 5266 0.689E-01 0.872E-01 RMM: 3 -0.365453290421E+03 0.47226E-02 -0.90329E-03 5562 0.201E-01 0.270E-01 RMM: 4 -0.365454058995E+03 -0.76857E-03 -0.16423E-03 4735 0.976E-02 0.447E-01 RMM: 5 -0.365452801699E+03 0.12573E-02 -0.62786E-04 4598 0.646E-02 0.144E-01 RMM: 6 -0.365452681866E+03 0.11983E-03 -0.13044E-04 3873 0.289E-02 0.645E-02 RMM: 7 -0.365452729001E+03 -0.47136E-04 -0.68813E-05 3511 0.220E-02 0.112E-01 RMM: 8 -0.365452651888E+03 0.77114E-04 -0.40865E-05 3103 0.193E-02 0.302E-02 RMM: 9 -0.365452660265E+03 -0.83776E-05 -0.17942E-05 2523 0.117E-02 1840 T= 6680. E= 0.68660623E+03 F= 0.63134352E+03 E0= 0.66149378E+03 EK= 0.55263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365932625893E+03 -0.47997E+00 -0.16239E-01 8340 0.241E+01 0.323E-01 RMM: 2 -0.365943144897E+03 -0.10519E-01 -0.82880E-02 5236 0.660E-01 0.893E-01 RMM: 3 -0.365937958459E+03 0.51864E-02 -0.77973E-03 5581 0.185E-01 0.236E-01 RMM: 4 -0.365938709452E+03 -0.75099E-03 -0.16640E-03 4748 0.998E-02 0.428E-01 RMM: 5 -0.365937547424E+03 0.11620E-02 -0.65648E-04 4574 0.662E-02 0.116E-01 RMM: 6 -0.365937489497E+03 0.57926E-04 -0.11586E-04 3837 0.272E-02 0.768E-02 RMM: 7 -0.365937516113E+03 -0.26615E-04 -0.63818E-05 3470 0.216E-02 0.104E-01 RMM: 8 -0.365937450386E+03 0.65727E-04 -0.37581E-05 3032 0.190E-02 0.291E-02 RMM: 9 -0.365937456085E+03 -0.56995E-05 -0.13215E-05 2485 0.992E-03 1841 T= 6708. E= 0.68665061E+03 F= 0.63115622E+03 E0= 0.66131442E+03 EK= 0.55494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366279854252E+03 -0.34240E+00 -0.16411E-01 8184 0.240E+01 0.316E-01 RMM: 2 -0.366291769187E+03 -0.11915E-01 -0.86712E-02 5123 0.675E-01 0.956E-01 RMM: 3 -0.366285609938E+03 0.61592E-02 -0.86578E-03 5545 0.198E-01 0.227E-01 RMM: 4 -0.366286256640E+03 -0.64670E-03 -0.16046E-03 4838 0.979E-02 0.401E-01 RMM: 5 -0.366285295444E+03 0.96120E-03 -0.56421E-04 4555 0.618E-02 0.154E-01 RMM: 6 -0.366285161374E+03 0.13407E-03 -0.13842E-04 3880 0.301E-02 0.695E-02 RMM: 7 -0.366285214747E+03 -0.53373E-04 -0.83732E-05 3651 0.245E-02 0.116E-01 RMM: 8 -0.366285130885E+03 0.83863E-04 -0.44564E-05 3171 0.206E-02 0.269E-02 RMM: 9 -0.366285134909E+03 -0.40245E-05 -0.11296E-05 2481 0.923E-03 1842 T= 6621. E= 0.68588019E+03 F= 0.63110408E+03 E0= 0.66126969E+03 EK= 0.54776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366506264332E+03 -0.22113E+00 -0.17028E-01 8160 0.237E+01 0.297E-01 RMM: 2 -0.366518207677E+03 -0.11943E-01 -0.90549E-02 5054 0.685E-01 0.907E-01 RMM: 3 -0.366512576286E+03 0.56314E-02 -0.86301E-03 5619 0.192E-01 0.210E-01 RMM: 4 -0.366513073786E+03 -0.49750E-03 -0.14708E-03 4825 0.943E-02 0.372E-01 RMM: 5 -0.366512243569E+03 0.83022E-03 -0.58696E-04 4591 0.647E-02 0.139E-01 RMM: 6 -0.366512154290E+03 0.89279E-04 -0.15070E-04 3881 0.316E-02 0.807E-02 RMM: 7 -0.366512197602E+03 -0.43311E-04 -0.69877E-05 3518 0.236E-02 0.116E-01 RMM: 8 -0.366512114940E+03 0.82662E-04 -0.37663E-05 3084 0.192E-02 0.285E-02 RMM: 9 -0.366512117413E+03 -0.24733E-05 -0.10329E-05 2469 0.878E-03 1843 T= 6456. E= 0.68457677E+03 F= 0.63117240E+03 E0= 0.66134457E+03 EK= 0.53404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366640129188E+03 -0.12801E+00 -0.16853E-01 7932 0.234E+01 0.291E-01 RMM: 2 -0.366652925103E+03 -0.12796E-01 -0.94647E-02 5005 0.696E-01 0.927E-01 RMM: 3 -0.366646850302E+03 0.60748E-02 -0.93009E-03 5563 0.201E-01 0.203E-01 RMM: 4 -0.366647318910E+03 -0.46861E-03 -0.14245E-03 4846 0.928E-02 0.359E-01 RMM: 5 -0.366646574063E+03 0.74485E-03 -0.53899E-04 4585 0.616E-02 0.154E-01 RMM: 6 -0.366646454793E+03 0.11927E-03 -0.15737E-04 3876 0.322E-02 0.818E-02 RMM: 7 -0.366646492192E+03 -0.37398E-04 -0.82113E-05 3622 0.258E-02 0.112E-01 RMM: 8 -0.366646414658E+03 0.77533E-04 -0.37807E-05 3096 0.192E-02 0.255E-02 RMM: 9 -0.366646419407E+03 -0.47483E-05 -0.10477E-05 2469 0.898E-03 1844 T= 6275. E= 0.68324213E+03 F= 0.63133387E+03 E0= 0.66151256E+03 EK= 0.51908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366709527401E+03 -0.63113E-01 -0.16507E-01 8052 0.231E+01 0.290E-01 RMM: 2 -0.366721992696E+03 -0.12465E-01 -0.88506E-02 5010 0.681E-01 0.954E-01 RMM: 3 -0.366715796713E+03 0.61960E-02 -0.87227E-03 5612 0.196E-01 0.216E-01 RMM: 4 -0.366716061198E+03 -0.26449E-03 -0.13786E-03 4776 0.908E-02 0.325E-01 RMM: 5 -0.366715457378E+03 0.60382E-03 -0.56427E-04 4605 0.642E-02 0.147E-01 RMM: 6 -0.366715362254E+03 0.95124E-04 -0.16097E-04 3876 0.329E-02 0.870E-02 RMM: 7 -0.366715400096E+03 -0.37842E-04 -0.75639E-05 3582 0.250E-02 0.115E-01 RMM: 8 -0.366715317405E+03 0.82691E-04 -0.37761E-05 3102 0.191E-02 0.284E-02 RMM: 9 -0.366715319628E+03 -0.22231E-05 -0.96462E-06 2468 0.859E-03 1845 T= 6142. E= 0.68237316E+03 F= 0.63156051E+03 E0= 0.66174543E+03 EK= 0.50813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366730013385E+03 -0.14696E-01 -0.16069E-01 8064 0.230E+01 0.291E-01 RMM: 2 -0.366741516028E+03 -0.11503E-01 -0.82326E-02 5063 0.655E-01 0.917E-01 RMM: 3 -0.366735585270E+03 0.59308E-02 -0.79101E-03 5492 0.194E-01 0.212E-01 RMM: 4 -0.366736063293E+03 -0.47802E-03 -0.13741E-03 4754 0.910E-02 0.356E-01 RMM: 5 -0.366735328605E+03 0.73469E-03 -0.49617E-04 4554 0.584E-02 0.156E-01 RMM: 6 -0.366735201795E+03 0.12681E-03 -0.15202E-04 3871 0.319E-02 0.769E-02 RMM: 7 -0.366735245233E+03 -0.43438E-04 -0.78570E-05 3575 0.248E-02 0.113E-01 RMM: 8 -0.366735166806E+03 0.78426E-04 -0.39365E-05 3123 0.196E-02 0.250E-02 RMM: 9 -0.366735171523E+03 -0.47167E-05 -0.10662E-05 2464 0.913E-03 1846 T= 6101. E= 0.68230263E+03 F= 0.63183409E+03 E0= 0.66202534E+03 EK= 0.50469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366701751480E+03 0.33415E-01 -0.16053E-01 8160 0.230E+01 0.291E-01 RMM: 2 -0.366713007004E+03 -0.11256E-01 -0.82259E-02 5141 0.651E-01 0.907E-01 RMM: 3 -0.366707321346E+03 0.56857E-02 -0.75288E-03 5568 0.185E-01 0.211E-01 RMM: 4 -0.366707740932E+03 -0.41959E-03 -0.13860E-03 4719 0.905E-02 0.349E-01 RMM: 5 -0.366707016953E+03 0.72398E-03 -0.52190E-04 4589 0.608E-02 0.137E-01 RMM: 6 -0.366706925501E+03 0.91453E-04 -0.12445E-04 3859 0.288E-02 0.738E-02 RMM: 7 -0.366706968035E+03 -0.42534E-04 -0.65076E-05 3471 0.225E-02 0.110E-01 RMM: 8 -0.366706893249E+03 0.74785E-04 -0.35153E-05 3050 0.188E-02 0.262E-02 RMM: 9 -0.366706895163E+03 -0.19135E-05 -0.91382E-06 2462 0.828E-03 1847 T= 6162. E= 0.68313163E+03 F= 0.63215121E+03 E0= 0.66234861E+03 EK= 0.50980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366609379265E+03 0.97514E-01 -0.17019E-01 8400 0.233E+01 0.296E-01 RMM: 2 -0.366620971625E+03 -0.11592E-01 -0.87703E-02 5134 0.672E-01 0.897E-01 RMM: 3 -0.366615321956E+03 0.56497E-02 -0.81279E-03 5513 0.195E-01 0.215E-01 RMM: 4 -0.366615876629E+03 -0.55467E-03 -0.13966E-03 4735 0.910E-02 0.371E-01 RMM: 5 -0.366615034159E+03 0.84247E-03 -0.46892E-04 4452 0.554E-02 0.141E-01 RMM: 6 -0.366614927944E+03 0.10622E-03 -0.12197E-04 3839 0.287E-02 0.660E-02 RMM: 7 -0.366614975647E+03 -0.47703E-04 -0.67479E-05 3463 0.223E-02 0.110E-01 RMM: 8 -0.366614902262E+03 0.73385E-04 -0.36079E-05 3064 0.190E-02 0.246E-02 RMM: 9 -0.366614904995E+03 -0.27334E-05 -0.10098E-05 2461 0.881E-03 1848 T= 6309. E= 0.68471727E+03 F= 0.63252525E+03 E0= 0.66272931E+03 EK= 0.52192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366426470056E+03 0.18843E+00 -0.17699E-01 8436 0.236E+01 0.292E-01 RMM: 2 -0.366437487115E+03 -0.11017E-01 -0.89954E-02 5243 0.668E-01 0.821E-01 RMM: 3 -0.366432565444E+03 0.49217E-02 -0.73345E-03 5537 0.183E-01 0.217E-01 RMM: 4 -0.366433097088E+03 -0.53164E-03 -0.13679E-03 4703 0.898E-02 0.372E-01 RMM: 5 -0.366432244416E+03 0.85267E-03 -0.49516E-04 4464 0.577E-02 0.131E-01 RMM: 6 -0.366432153298E+03 0.91118E-04 -0.11005E-04 3808 0.272E-02 0.653E-02 RMM: 7 -0.366432194320E+03 -0.41022E-04 -0.64242E-05 3458 0.221E-02 0.104E-01 RMM: 8 -0.366432127302E+03 0.67019E-04 -0.32274E-05 2989 0.179E-02 0.245E-02 RMM: 9 -0.366432130941E+03 -0.36392E-05 -0.10197E-05 2464 0.865E-03 1849 T= 6492. E= 0.68669062E+03 F= 0.63298201E+03 E0= 0.66319331E+03 EK= 0.53709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366122544731E+03 0.30958E+00 -0.18198E-01 8520 0.239E+01 0.300E-01 RMM: 2 -0.366135197740E+03 -0.12653E-01 -0.99883E-02 5211 0.705E-01 0.894E-01 RMM: 3 -0.366129393041E+03 0.58047E-02 -0.85712E-03 5575 0.198E-01 0.220E-01 RMM: 4 -0.366129941155E+03 -0.54811E-03 -0.14015E-03 4711 0.906E-02 0.374E-01 RMM: 5 -0.366129063442E+03 0.87771E-03 -0.45251E-04 4306 0.536E-02 0.133E-01 RMM: 6 -0.366128967982E+03 0.95460E-04 -0.11098E-04 3791 0.278E-02 0.629E-02 RMM: 7 -0.366129011989E+03 -0.44007E-04 -0.64469E-05 3433 0.216E-02 0.106E-01 RMM: 8 -0.366128943738E+03 0.68251E-04 -0.36130E-05 3028 0.190E-02 0.263E-02 RMM: 9 -0.366128947110E+03 -0.33721E-05 -0.11850E-05 2471 0.959E-03 1850 T= 6647. E= 0.68853687E+03 F= 0.63355117E+03 E0= 0.66377138E+03 EK= 0.54986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365677017025E+03 0.45193E+00 -0.18474E-01 8532 0.241E+01 0.293E-01 RMM: 2 -0.365690372290E+03 -0.13355E-01 -0.10835E-01 5208 0.728E-01 0.872E-01 RMM: 3 -0.365684680612E+03 0.56917E-02 -0.89659E-03 5623 0.199E-01 0.216E-01 RMM: 4 -0.365685162364E+03 -0.48175E-03 -0.14224E-03 4751 0.911E-02 0.367E-01 RMM: 5 -0.365684345738E+03 0.81663E-03 -0.47077E-04 4369 0.552E-02 0.131E-01 RMM: 6 -0.365684255436E+03 0.90302E-04 -0.10851E-04 3756 0.273E-02 0.656E-02 RMM: 7 -0.365684298838E+03 -0.43403E-04 -0.69024E-05 3539 0.228E-02 0.106E-01 RMM: 8 -0.365684228664E+03 0.70175E-04 -0.34842E-05 3015 0.184E-02 0.255E-02 RMM: 9 -0.365684232942E+03 -0.42782E-05 -0.11145E-05 2475 0.913E-03 1851 T= 6711. E= 0.68977634E+03 F= 0.63425509E+03 E0= 0.66448578E+03 EK= 0.55521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365091281664E+03 0.59295E+00 -0.18663E-01 8568 0.240E+01 0.286E-01 RMM: 2 -0.365104873762E+03 -0.13592E-01 -0.11199E-01 5219 0.740E-01 0.862E-01 RMM: 3 -0.365099228917E+03 0.56448E-02 -0.91347E-03 5688 0.202E-01 0.213E-01 RMM: 4 -0.365099646582E+03 -0.41766E-03 -0.12931E-03 4734 0.871E-02 0.347E-01 RMM: 5 -0.365098886740E+03 0.75984E-03 -0.42008E-04 4232 0.513E-02 0.124E-01 RMM: 6 -0.365098817361E+03 0.69379E-04 -0.11545E-04 3807 0.285E-02 0.746E-02 RMM: 7 -0.365098860006E+03 -0.42645E-04 -0.72208E-05 3529 0.230E-02 0.112E-01 RMM: 8 -0.365098783728E+03 0.76278E-04 -0.37122E-05 3056 0.191E-02 0.261E-02 RMM: 9 -0.365098786843E+03 -0.31154E-05 -0.11640E-05 2470 0.936E-03 1852 T= 6660. E= 0.69018744E+03 F= 0.63509486E+03 E0= 0.66533846E+03 EK= 0.55093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364393491158E+03 0.70529E+00 -0.18742E-01 8520 0.238E+01 0.280E-01 RMM: 2 -0.364407598768E+03 -0.14108E-01 -0.10739E-01 5237 0.729E-01 0.931E-01 RMM: 3 -0.364401087916E+03 0.65109E-02 -0.87516E-03 5698 0.198E-01 0.199E-01 RMM: 4 -0.364401373375E+03 -0.28546E-03 -0.12385E-03 4713 0.852E-02 0.315E-01 RMM: 5 -0.364400776740E+03 0.59663E-03 -0.39808E-04 4262 0.513E-02 0.131E-01 RMM: 6 -0.364400703466E+03 0.73274E-04 -0.12456E-04 3861 0.295E-02 0.826E-02 RMM: 7 -0.364400748008E+03 -0.44542E-04 -0.81364E-05 3671 0.247E-02 0.116E-01 RMM: 8 -0.364400662342E+03 0.85666E-04 -0.40404E-05 3145 0.195E-02 0.260E-02 RMM: 9 -0.364400665210E+03 -0.28683E-05 -0.10412E-05 2473 0.880E-03 1853 T= 6513. E= 0.68992526E+03 F= 0.63604419E+03 E0= 0.66630183E+03 EK= 0.53881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363634935561E+03 0.76573E+00 -0.18361E-01 8472 0.235E+01 0.263E-01 RMM: 2 -0.363648376677E+03 -0.13441E-01 -0.10615E-01 5207 0.725E-01 0.867E-01 RMM: 3 -0.363642634800E+03 0.57419E-02 -0.86828E-03 5651 0.197E-01 0.207E-01 RMM: 4 -0.363642790150E+03 -0.15535E-03 -0.10890E-03 4696 0.796E-02 0.281E-01 RMM: 5 -0.363642312931E+03 0.47722E-03 -0.36435E-04 4184 0.491E-02 0.134E-01 RMM: 6 -0.363642245152E+03 0.67779E-04 -0.14215E-04 3875 0.318E-02 0.897E-02 RMM: 7 -0.363642290381E+03 -0.45229E-04 -0.85025E-05 3640 0.251E-02 0.123E-01 RMM: 8 -0.363642197433E+03 0.92948E-04 -0.43569E-05 3183 0.203E-02 0.270E-02 RMM: 9 -0.363642199566E+03 -0.21327E-05 -0.10947E-05 2474 0.914E-03 1854 T= 6332. E= 0.68943324E+03 F= 0.63705182E+03 E0= 0.66732373E+03 EK= 0.52381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362880054086E+03 0.76214E+00 -0.17664E-01 8532 0.231E+01 0.262E-01 RMM: 2 -0.362894658601E+03 -0.14605E-01 -0.10399E-01 5166 0.725E-01 0.979E-01 RMM: 3 -0.362887683049E+03 0.69756E-02 -0.91107E-03 5686 0.201E-01 0.192E-01 RMM: 4 -0.362887758770E+03 -0.75721E-04 -0.10694E-03 4697 0.792E-02 0.260E-01 RMM: 5 -0.362887368100E+03 0.39067E-03 -0.36356E-04 4297 0.504E-02 0.129E-01 RMM: 6 -0.362887319380E+03 0.48720E-04 -0.14413E-04 3874 0.315E-02 0.101E-01 RMM: 7 -0.362887346664E+03 -0.27284E-04 -0.84985E-05 3666 0.255E-02 0.119E-01 RMM: 8 -0.362887258358E+03 0.88306E-04 -0.42816E-05 3184 0.199E-02 0.275E-02 RMM: 9 -0.362887260568E+03 -0.22100E-05 -0.10154E-05 2471 0.878E-03 1855 T= 6185. E= 0.68922358E+03 F= 0.63805379E+03 E0= 0.66833744E+03 EK= 0.51170E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362188973423E+03 0.69828E+00 -0.17204E-01 8484 0.229E+01 0.252E-01 RMM: 2 -0.362202933054E+03 -0.13960E-01 -0.10312E-01 5086 0.727E-01 0.920E-01 RMM: 3 -0.362196710377E+03 0.62227E-02 -0.92748E-03 5611 0.205E-01 0.210E-01 RMM: 4 -0.362196713244E+03 -0.28668E-05 -0.10304E-03 4709 0.764E-02 0.241E-01 RMM: 5 -0.362196395573E+03 0.31767E-03 -0.34630E-04 4240 0.491E-02 0.141E-01 RMM: 6 -0.362196312201E+03 0.83373E-04 -0.14742E-04 3876 0.322E-02 0.890E-02 RMM: 7 -0.362196365059E+03 -0.52858E-04 -0.91458E-05 3702 0.258E-02 0.127E-01 RMM: 8 -0.362196265087E+03 0.99971E-04 -0.46739E-05 3225 0.210E-02 0.273E-02 RMM: 9 -0.362196267103E+03 -0.20152E-05 -0.11040E-05 2473 0.925E-03 1856 T= 6128. E= 0.68967985E+03 F= 0.63898857E+03 E0= 0.66927990E+03 EK= 0.50691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361606414694E+03 0.58985E+00 -0.16659E-01 8184 0.229E+01 0.255E-01 RMM: 2 -0.361621122131E+03 -0.14707E-01 -0.10343E-01 5065 0.729E-01 0.982E-01 RMM: 3 -0.361614232503E+03 0.68896E-02 -0.96251E-03 5648 0.205E-01 0.183E-01 RMM: 4 -0.361614319093E+03 -0.86590E-04 -0.10717E-03 4703 0.790E-02 0.258E-01 RMM: 5 -0.361613933553E+03 0.38554E-03 -0.34877E-04 4250 0.493E-02 0.122E-01 RMM: 6 -0.361613888796E+03 0.44757E-04 -0.12777E-04 3861 0.299E-02 0.938E-02 RMM: 7 -0.361613911724E+03 -0.22927E-04 -0.74604E-05 3564 0.238E-02 0.111E-01 RMM: 8 -0.361613835250E+03 0.76474E-04 -0.38716E-05 3102 0.193E-02 0.266E-02 RMM: 9 -0.361613837714E+03 -0.24641E-05 -0.99591E-06 2462 0.872E-03 1857 T= 6182. E= 0.69095359E+03 F= 0.63980982E+03 E0= 0.67010235E+03 EK= 0.51144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361153446237E+03 0.46039E+00 -0.16436E-01 8124 0.231E+01 0.256E-01 RMM: 2 -0.361166995756E+03 -0.13550E-01 -0.98109E-02 5028 0.713E-01 0.922E-01 RMM: 3 -0.361160787624E+03 0.62081E-02 -0.92568E-03 5557 0.206E-01 0.209E-01 RMM: 4 -0.361160862751E+03 -0.75127E-04 -0.10940E-03 4725 0.785E-02 0.258E-01 RMM: 5 -0.361160498660E+03 0.36409E-03 -0.32133E-04 4080 0.466E-02 0.141E-01 RMM: 6 -0.361160395097E+03 0.10356E-03 -0.11953E-04 3834 0.299E-02 0.682E-02 RMM: 7 -0.361160451223E+03 -0.56126E-04 -0.76286E-05 3551 0.233E-02 0.117E-01 RMM: 8 -0.361160366576E+03 0.84647E-04 -0.42638E-05 3141 0.206E-02 0.249E-02 RMM: 9 -0.361160368971E+03 -0.23949E-05 -0.11133E-05 2471 0.941E-03 1858 T= 6338. E= 0.69292578E+03 F= 0.64049559E+03 E0= 0.67078218E+03 EK= 0.52430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360820175994E+03 0.34019E+00 -0.16838E-01 8076 0.235E+01 0.256E-01 RMM: 2 -0.360832585594E+03 -0.12410E-01 -0.90865E-02 5098 0.688E-01 0.903E-01 RMM: 3 -0.360826804570E+03 0.57810E-02 -0.81951E-03 5574 0.193E-01 0.185E-01 RMM: 4 -0.360827057990E+03 -0.25342E-03 -0.11441E-03 4722 0.814E-02 0.294E-01 RMM: 5 -0.360826537453E+03 0.52054E-03 -0.36092E-04 4186 0.491E-02 0.108E-01 RMM: 6 -0.360826488957E+03 0.48496E-04 -0.83572E-05 3593 0.249E-02 0.703E-02 RMM: 7 -0.360826513861E+03 -0.24904E-04 -0.54335E-05 3300 0.201E-02 0.954E-02 RMM: 8 -0.360826457768E+03 0.56093E-04 -0.33074E-05 2955 0.183E-02 0.246E-02 RMM: 9 -0.360826460858E+03 -0.30903E-05 -0.98146E-06 2462 0.860E-03 1859 T= 6546. E= 0.69520500E+03 F= 0.64105449E+03 E0= 0.67132749E+03 EK= 0.54151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360565033129E+03 0.26142E+00 -0.17500E-01 8292 0.239E+01 0.267E-01 RMM: 2 -0.360577003682E+03 -0.11971E-01 -0.86496E-02 5159 0.680E-01 0.908E-01 RMM: 3 -0.360571228021E+03 0.57757E-02 -0.77691E-03 5532 0.191E-01 0.205E-01 RMM: 4 -0.360571481664E+03 -0.25364E-03 -0.11400E-03 4710 0.806E-02 0.300E-01 RMM: 5 -0.360570958404E+03 0.52326E-03 -0.33467E-04 4009 0.472E-02 0.127E-01 RMM: 6 -0.360570864261E+03 0.94144E-04 -0.86167E-05 3615 0.261E-02 0.533E-02 RMM: 7 -0.360570905207E+03 -0.40946E-04 -0.54501E-05 3276 0.200E-02 0.988E-02 RMM: 8 -0.360570846555E+03 0.58652E-04 -0.34708E-05 2953 0.188E-02 0.267E-02 RMM: 9 -0.360570848836E+03 -0.22809E-05 -0.11062E-05 2470 0.934E-03 1860 T= 6730. E= 0.69719998E+03 F= 0.64152817E+03 E0= 0.67178158E+03 EK= 0.55672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360326183840E+03 0.24466E+00 -0.17707E-01 8124 0.242E+01 0.259E-01 RMM: 2 -0.360337338794E+03 -0.11155E-01 -0.90401E-02 5152 0.688E-01 0.799E-01 RMM: 3 -0.360332751946E+03 0.45868E-02 -0.77035E-03 5571 0.186E-01 0.194E-01 RMM: 4 -0.360333081742E+03 -0.32980E-03 -0.11306E-03 4716 0.812E-02 0.316E-01 RMM: 5 -0.360332475341E+03 0.60640E-03 -0.37408E-04 4175 0.499E-02 0.108E-01 RMM: 6 -0.360332414156E+03 0.61186E-04 -0.71119E-05 3506 0.233E-02 0.563E-02 RMM: 7 -0.360332441838E+03 -0.27683E-04 -0.46971E-05 3147 0.189E-02 0.892E-02 RMM: 8 -0.360332393682E+03 0.48156E-04 -0.31820E-05 2865 0.180E-02 0.254E-02 RMM: 9 -0.360332398136E+03 -0.44532E-05 -0.11303E-05 2468 0.922E-03 1861 T= 6811. E= 0.69832531E+03 F= 0.64197919E+03 E0= 0.67220935E+03 EK= 0.56346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360048491645E+03 0.28390E+00 -0.17479E-01 8304 0.242E+01 0.266E-01 RMM: 2 -0.360060863296E+03 -0.12372E-01 -0.97020E-02 5153 0.706E-01 0.848E-01 RMM: 3 -0.360055567144E+03 0.52962E-02 -0.86931E-03 5590 0.198E-01 0.197E-01 RMM: 4 -0.360055864932E+03 -0.29779E-03 -0.11120E-03 4706 0.790E-02 0.305E-01 RMM: 5 -0.360055290977E+03 0.57396E-03 -0.33009E-04 4037 0.467E-02 0.115E-01 RMM: 6 -0.360055216069E+03 0.74908E-04 -0.73926E-05 3511 0.242E-02 0.538E-02 RMM: 7 -0.360055250455E+03 -0.34386E-04 -0.52716E-05 3253 0.199E-02 0.933E-02 RMM: 8 -0.360055197644E+03 0.52810E-04 -0.34277E-05 2934 0.186E-02 0.256E-02 RMM: 9 -0.360055201842E+03 -0.41979E-05 -0.12263E-05 2475 0.977E-03 1862 T= 6749. E= 0.69829839E+03 F= 0.64246552E+03 E0= 0.67267272E+03 EK= 0.55833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359702336579E+03 0.35286E+00 -0.17342E-01 7944 0.240E+01 0.254E-01 RMM: 2 -0.359715796495E+03 -0.13460E-01 -0.11117E-01 5072 0.747E-01 0.812E-01 RMM: 3 -0.359710846212E+03 0.49503E-02 -0.10166E-02 5733 0.205E-01 0.198E-01 RMM: 4 -0.359711026752E+03 -0.18054E-03 -0.10976E-03 4742 0.795E-02 0.289E-01 RMM: 5 -0.359710521322E+03 0.50543E-03 -0.32440E-04 4035 0.462E-02 0.115E-01 RMM: 6 -0.359710455611E+03 0.65711E-04 -0.86880E-05 3594 0.261E-02 0.628E-02 RMM: 7 -0.359710496948E+03 -0.41337E-04 -0.58437E-05 3370 0.208E-02 0.102E-01 RMM: 8 -0.359710431257E+03 0.65691E-04 -0.35735E-05 2966 0.189E-02 0.266E-02 RMM: 9 -0.359710434155E+03 -0.28971E-05 -0.12153E-05 2470 0.961E-03 1863 T= 6564. E= 0.69732149E+03 F= 0.64301797E+03 E0= 0.67320614E+03 EK= 0.54304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359297320449E+03 0.41311E+00 -0.16693E-01 8028 0.237E+01 0.246E-01 RMM: 2 -0.359309943870E+03 -0.12623E-01 -0.10315E-01 5270 0.699E-01 0.794E-01 RMM: 3 -0.359304963976E+03 0.49799E-02 -0.84390E-03 5702 0.192E-01 0.181E-01 RMM: 4 -0.359305169215E+03 -0.20524E-03 -0.95854E-04 4656 0.737E-02 0.272E-01 RMM: 5 -0.359304713236E+03 0.45598E-03 -0.28087E-04 3916 0.428E-02 0.114E-01 RMM: 6 -0.359304655237E+03 0.58000E-04 -0.93106E-05 3683 0.269E-02 0.702E-02 RMM: 7 -0.359304699657E+03 -0.44421E-04 -0.67989E-05 3536 0.226E-02 0.109E-01 RMM: 8 -0.359304624368E+03 0.75290E-04 -0.36560E-05 3026 0.189E-02 0.249E-02 RMM: 9 -0.359304626947E+03 -0.25788E-05 -0.12103E-05 2471 0.962E-03 1864 T= 6328. E= 0.69598148E+03 F= 0.64363119E+03 E0= 0.67380723E+03 EK= 0.52350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358866433225E+03 0.43819E+00 -0.16716E-01 7860 0.233E+01 0.238E-01 RMM: 2 -0.358880958138E+03 -0.14525E-01 -0.12095E-01 5109 0.756E-01 0.797E-01 RMM: 3 -0.358875977166E+03 0.49810E-02 -0.11090E-02 5843 0.203E-01 0.186E-01 RMM: 4 -0.358876020529E+03 -0.43363E-04 -0.95913E-04 4708 0.746E-02 0.255E-01 RMM: 5 -0.358875618675E+03 0.40185E-03 -0.28048E-04 3960 0.431E-02 0.107E-01 RMM: 6 -0.358875580648E+03 0.38027E-04 -0.94490E-05 3653 0.270E-02 0.785E-02 RMM: 7 -0.358875612721E+03 -0.32073E-04 -0.68503E-05 3514 0.227E-02 0.105E-01 RMM: 8 -0.358875542475E+03 0.70246E-04 -0.36511E-05 3032 0.190E-02 0.254E-02 RMM: 9 -0.358875544004E+03 -0.15292E-05 -0.10484E-05 2460 0.884E-03 1865 T= 6127. E= 0.69495567E+03 F= 0.64426744E+03 E0= 0.67443980E+03 EK= 0.50688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358466750945E+03 0.40879E+00 -0.15958E-01 8208 0.230E+01 0.244E-01 RMM: 2 -0.358479885910E+03 -0.13135E-01 -0.10179E-01 5206 0.700E-01 0.858E-01 RMM: 3 -0.358474386330E+03 0.54996E-02 -0.90263E-03 5801 0.192E-01 0.168E-01 RMM: 4 -0.358474481934E+03 -0.95604E-04 -0.89389E-04 4652 0.706E-02 0.249E-01 RMM: 5 -0.358474114394E+03 0.36754E-03 -0.25641E-04 3903 0.413E-02 0.116E-01 RMM: 6 -0.358474055102E+03 0.59292E-04 -0.10874E-04 3811 0.289E-02 0.724E-02 RMM: 7 -0.358474105911E+03 -0.50810E-04 -0.68924E-05 3556 0.229E-02 0.114E-01 RMM: 8 -0.358474022045E+03 0.83866E-04 -0.35667E-05 3005 0.187E-02 0.267E-02 RMM: 9 -0.358474022573E+03 -0.52799E-06 -0.10887E-05 2469 0.904E-03 1866 T= 6030. E= 0.69475725E+03 F= 0.64487467E+03 E0= 0.67505245E+03 EK= 0.49883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358142939830E+03 0.33108E+00 -0.16056E-01 8352 0.230E+01 0.247E-01 RMM: 2 -0.358158669671E+03 -0.15730E-01 -0.10338E-01 5236 0.697E-01 0.104E+00 RMM: 3 -0.358150734266E+03 0.79354E-02 -0.88635E-03 5660 0.193E-01 0.183E-01 RMM: 4 -0.358150822684E+03 -0.88418E-04 -0.10231E-03 4667 0.756E-02 0.247E-01 RMM: 5 -0.358150455463E+03 0.36722E-03 -0.26654E-04 3902 0.412E-02 0.113E-01 RMM: 6 -0.358150399288E+03 0.56174E-04 -0.90482E-05 3631 0.264E-02 0.697E-02 RMM: 7 -0.358150440281E+03 -0.40993E-04 -0.71055E-05 3540 0.229E-02 0.105E-01 RMM: 8 -0.358150370722E+03 0.69559E-04 -0.36847E-05 3022 0.191E-02 0.299E-02 RMM: 9 -0.358150368690E+03 0.20321E-05 -0.97606E-06 2463 0.857E-03 1867 T= 6070. E= 0.69561822E+03 F= 0.64540065E+03 E0= 0.67559286E+03 EK= 0.50218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357937119988E+03 0.21325E+00 -0.16244E-01 8484 0.231E+01 0.252E-01 RMM: 2 -0.357950827912E+03 -0.13708E-01 -0.97870E-02 5311 0.684E-01 0.947E-01 RMM: 3 -0.357944368563E+03 0.64593E-02 -0.83987E-03 5685 0.190E-01 0.184E-01 RMM: 4 -0.357944465676E+03 -0.97114E-04 -0.93757E-04 4659 0.712E-02 0.248E-01 RMM: 5 -0.357944106521E+03 0.35916E-03 -0.22965E-04 3894 0.373E-02 0.127E-01 RMM: 6 -0.357944015502E+03 0.91019E-04 -0.96536E-05 3725 0.276E-02 0.581E-02 RMM: 7 -0.357944067098E+03 -0.51596E-04 -0.68128E-05 3513 0.224E-02 0.107E-01 RMM: 8 -0.357943994025E+03 0.73073E-04 -0.38268E-05 3041 0.188E-02 0.278E-02 RMM: 9 -0.357943992765E+03 0.12597E-05 -0.11294E-05 2465 0.938E-03 1868 T= 6244. E= 0.69745866E+03 F= 0.64580402E+03 E0= 0.67601928E+03 EK= 0.51655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357875064530E+03 0.68929E-01 -0.16732E-01 8676 0.235E+01 0.240E-01 RMM: 2 -0.357887747750E+03 -0.12683E-01 -0.94868E-02 5410 0.664E-01 0.870E-01 RMM: 3 -0.357882009365E+03 0.57384E-02 -0.69335E-03 5679 0.171E-01 0.182E-01 RMM: 4 -0.357882195485E+03 -0.18612E-03 -0.96688E-04 4647 0.736E-02 0.272E-01 RMM: 5 -0.357881730266E+03 0.46522E-03 -0.26967E-04 3901 0.415E-02 0.946E-02 RMM: 6 -0.357881685580E+03 0.44687E-04 -0.61786E-05 3401 0.222E-02 0.558E-02 RMM: 7 -0.357881715516E+03 -0.29936E-04 -0.63227E-05 3492 0.211E-02 0.907E-02 RMM: 8 -0.357881664149E+03 0.51367E-04 -0.33188E-05 2898 0.177E-02 0.250E-02 RMM: 9 -0.357881663878E+03 0.27068E-06 -0.94841E-06 2454 0.845E-03 1869 T= 6505. E= 0.69986782E+03 F= 0.64605680E+03 E0= 0.67630288E+03 EK= 0.53811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357967893687E+03 -0.86230E-01 -0.17475E-01 8844 0.239E+01 0.263E-01 RMM: 2 -0.357982311328E+03 -0.14418E-01 -0.98351E-02 5380 0.691E-01 0.100E+00 RMM: 3 -0.357975083903E+03 0.72274E-02 -0.79965E-03 5680 0.184E-01 0.192E-01 RMM: 4 -0.357975236664E+03 -0.15276E-03 -0.10676E-03 4657 0.771E-02 0.272E-01 RMM: 5 -0.357974792355E+03 0.44431E-03 -0.25854E-04 3896 0.397E-02 0.119E-01 RMM: 6 -0.357974709126E+03 0.83229E-04 -0.80769E-05 3560 0.255E-02 0.504E-02 RMM: 7 -0.357974746568E+03 -0.37442E-04 -0.51211E-05 3228 0.193E-02 0.952E-02 RMM: 8 -0.357974691573E+03 0.54995E-04 -0.40564E-05 2940 0.187E-02 0.320E-02 RMM: 9 -0.357974688654E+03 0.29195E-05 -0.12515E-05 2471 0.100E-02 1870 T= 6768. E= 0.70213400E+03 F= 0.64614768E+03 E0= 0.67643144E+03 EK= 0.55986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358216714735E+03 -0.24202E+00 -0.18708E-01 8604 0.243E+01 0.247E-01 RMM: 2 -0.358231072204E+03 -0.14357E-01 -0.11000E-01 5338 0.724E-01 0.892E-01 RMM: 3 -0.358225010952E+03 0.60613E-02 -0.84480E-03 5596 0.188E-01 0.179E-01 RMM: 4 -0.358225240306E+03 -0.22935E-03 -0.10728E-03 4675 0.776E-02 0.281E-01 RMM: 5 -0.358224747351E+03 0.49295E-03 -0.28177E-04 3905 0.419E-02 0.107E-01 RMM: 6 -0.358224683303E+03 0.64048E-04 -0.66207E-05 3436 0.229E-02 0.500E-02 RMM: 7 -0.358224714949E+03 -0.31647E-04 -0.57710E-05 3349 0.206E-02 0.900E-02 RMM: 8 -0.358224666846E+03 0.48103E-04 -0.36342E-05 2880 0.179E-02 0.319E-02 RMM: 9 -0.358224664018E+03 0.28283E-05 -0.11779E-05 2462 0.966E-03 1871 T= 6933. E= 0.70342908E+03 F= 0.64607631E+03 E0= 0.67640358E+03 EK= 0.57353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358622471754E+03 -0.39780E+00 -0.18383E-01 8580 0.244E+01 0.269E-01 RMM: 2 -0.358638299529E+03 -0.15828E-01 -0.10126E-01 5364 0.708E-01 0.109E+00 RMM: 3 -0.358629852893E+03 0.84466E-02 -0.85795E-03 5637 0.194E-01 0.192E-01 RMM: 4 -0.358629996389E+03 -0.14350E-03 -0.10890E-03 4662 0.771E-02 0.270E-01 RMM: 5 -0.358629577461E+03 0.41893E-03 -0.25871E-04 3894 0.407E-02 0.127E-01 RMM: 6 -0.358629479964E+03 0.97496E-04 -0.76156E-05 3518 0.250E-02 0.486E-02 RMM: 7 -0.358629516750E+03 -0.36785E-04 -0.61485E-05 3398 0.210E-02 0.936E-02 RMM: 8 -0.358629463726E+03 0.53024E-04 -0.40412E-05 3005 0.187E-02 0.302E-02 RMM: 9 -0.358629461471E+03 0.22542E-05 -0.12329E-05 2468 0.100E-02 1872 T= 6930. E= 0.70317983E+03 F= 0.64584694E+03 E0= 0.67622189E+03 EK= 0.57333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359181040220E+03 -0.55158E+00 -0.18198E-01 8424 0.242E+01 0.248E-01 RMM: 2 -0.359194672005E+03 -0.13632E-01 -0.96821E-02 5342 0.691E-01 0.941E-01 RMM: 3 -0.359188178061E+03 0.64939E-02 -0.77376E-03 5670 0.183E-01 0.187E-01 RMM: 4 -0.359188273234E+03 -0.95173E-04 -0.99091E-04 4634 0.742E-02 0.250E-01 RMM: 5 -0.359187900422E+03 0.37281E-03 -0.25455E-04 3898 0.408E-02 0.108E-01 RMM: 6 -0.359187838349E+03 0.62073E-04 -0.69682E-05 3460 0.239E-02 0.555E-02 RMM: 7 -0.359187879367E+03 -0.41017E-04 -0.65967E-05 3515 0.216E-02 0.994E-02 RMM: 8 -0.359187819928E+03 0.59439E-04 -0.38110E-05 3009 0.186E-02 0.302E-02 RMM: 9 -0.359187816755E+03 0.31730E-05 -0.99909E-06 2458 0.883E-03 1873 T= 6762. E= 0.70140168E+03 F= 0.64546316E+03 E0= 0.67588812E+03 EK= 0.55939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359891640985E+03 -0.70382E+00 -0.17782E-01 8220 0.238E+01 0.253E-01 RMM: 2 -0.359906423406E+03 -0.14782E-01 -0.95855E-02 5298 0.697E-01 0.104E+00 RMM: 3 -0.359898774430E+03 0.76490E-02 -0.83871E-03 5630 0.191E-01 0.197E-01 RMM: 4 -0.359898789871E+03 -0.15440E-04 -0.95042E-04 4653 0.717E-02 0.232E-01 RMM: 5 -0.359898493559E+03 0.29631E-03 -0.23031E-04 3900 0.391E-02 0.123E-01 RMM: 6 -0.359898407710E+03 0.85850E-04 -0.81410E-05 3568 0.257E-02 0.549E-02 RMM: 7 -0.359898453538E+03 -0.45828E-04 -0.69729E-05 3523 0.223E-02 0.101E-01 RMM: 8 -0.359898390956E+03 0.62582E-04 -0.38928E-05 3062 0.192E-02 0.293E-02 RMM: 9 -0.359898387930E+03 0.30258E-05 -0.96858E-06 2459 0.882E-03 1874 T= 6499. E= 0.69868988E+03 F= 0.64492811E+03 E0= 0.67540320E+03 EK= 0.53762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360748798106E+03 -0.85041E+00 -0.16309E-01 8136 0.233E+01 0.227E-01 RMM: 2 -0.360759500845E+03 -0.10703E-01 -0.79191E-02 5296 0.631E-01 0.819E-01 RMM: 3 -0.360754561083E+03 0.49398E-02 -0.62229E-03 5538 0.169E-01 0.185E-01 RMM: 4 -0.360754607522E+03 -0.46440E-04 -0.82329E-04 4632 0.676E-02 0.216E-01 RMM: 5 -0.360754325251E+03 0.28227E-03 -0.20968E-04 3880 0.366E-02 0.107E-01 RMM: 6 -0.360754271877E+03 0.53373E-04 -0.75864E-05 3532 0.249E-02 0.607E-02 RMM: 7 -0.360754314175E+03 -0.42297E-04 -0.58602E-05 3361 0.207E-02 0.102E-01 RMM: 8 -0.360754249838E+03 0.64337E-04 -0.36600E-05 2988 0.189E-02 0.268E-02 RMM: 9 -0.360754247969E+03 0.18682E-05 -0.82729E-06 2450 0.792E-03 1875 T= 6240. E= 0.69587500E+03 F= 0.64424946E+03 E0= 0.67477284E+03 EK= 0.51626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361730928177E+03 -0.97668E+00 -0.15990E-01 8280 0.230E+01 0.245E-01 RMM: 2 -0.361742806490E+03 -0.11878E-01 -0.72163E-02 5311 0.615E-01 0.101E+00 RMM: 3 -0.361736014905E+03 0.67916E-02 -0.62621E-03 5503 0.171E-01 0.199E-01 RMM: 4 -0.361736007938E+03 0.69662E-05 -0.88809E-04 4640 0.697E-02 0.218E-01 RMM: 5 -0.361735769786E+03 0.23815E-03 -0.22712E-04 3899 0.392E-02 0.126E-01 RMM: 6 -0.361735676439E+03 0.93347E-04 -0.82430E-05 3594 0.263E-02 0.515E-02 RMM: 7 -0.361735718354E+03 -0.41915E-04 -0.57961E-05 3322 0.207E-02 0.958E-02 RMM: 8 -0.361735663993E+03 0.54361E-04 -0.33584E-05 2915 0.184E-02 0.311E-02 RMM: 9 -0.361735659840E+03 0.41530E-05 -0.88593E-06 2451 0.842E-03 1876 T= 6069. E= 0.69365751E+03 F= 0.64344643E+03 E0= 0.67401432E+03 EK= 0.50211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362798356208E+03 -0.10627E+01 -0.16084E-01 8388 0.228E+01 0.227E-01 RMM: 2 -0.362807740706E+03 -0.93845E-02 -0.68089E-02 5270 0.592E-01 0.807E-01 RMM: 3 -0.362803181513E+03 0.45592E-02 -0.55867E-03 5433 0.162E-01 0.184E-01 RMM: 4 -0.362803314270E+03 -0.13276E-03 -0.85142E-04 4632 0.692E-02 0.239E-01 RMM: 5 -0.362802982390E+03 0.33188E-03 -0.21533E-04 3881 0.366E-02 0.114E-01 RMM: 6 -0.362802910112E+03 0.72278E-04 -0.65865E-05 3442 0.234E-02 0.496E-02 RMM: 7 -0.362802946349E+03 -0.36236E-04 -0.52553E-05 3251 0.197E-02 0.919E-02 RMM: 8 -0.362802895855E+03 0.50494E-04 -0.32835E-05 2887 0.180E-02 0.263E-02 RMM: 9 -0.362802893888E+03 0.19667E-05 -0.81750E-06 2449 0.794E-03 1877 T= 6029. E= 0.69243322E+03 F= 0.64255721E+03 E0= 0.67316431E+03 EK= 0.49876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363890570790E+03 -0.10877E+01 -0.16156E-01 8460 0.229E+01 0.245E-01 RMM: 2 -0.363900904222E+03 -0.10333E-01 -0.71050E-02 5284 0.611E-01 0.905E-01 RMM: 3 -0.363895522574E+03 0.53816E-02 -0.63147E-03 5462 0.172E-01 0.197E-01 RMM: 4 -0.363895622200E+03 -0.99626E-04 -0.94047E-04 4646 0.719E-02 0.247E-01 RMM: 5 -0.363895286115E+03 0.33609E-03 -0.23372E-04 3890 0.386E-02 0.122E-01 RMM: 6 -0.363895194190E+03 0.91925E-04 -0.66018E-05 3446 0.237E-02 0.434E-02 RMM: 7 -0.363895220516E+03 -0.26326E-04 -0.42751E-05 3059 0.182E-02 0.804E-02 RMM: 8 -0.363895183942E+03 0.36574E-04 -0.31487E-05 2761 0.170E-02 0.300E-02 RMM: 9 -0.363895180660E+03 0.32825E-05 -0.10006E-05 2452 0.911E-03 1878 T= 6121. E= 0.69227486E+03 F= 0.64164054E+03 E0= 0.67228027E+03 EK= 0.50634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364931657484E+03 -0.10365E+01 -0.16967E-01 8556 0.232E+01 0.235E-01 RMM: 2 -0.364941166565E+03 -0.95091E-02 -0.74974E-02 5290 0.622E-01 0.770E-01 RMM: 3 -0.364937096872E+03 0.40697E-02 -0.67259E-03 5492 0.172E-01 0.186E-01 RMM: 4 -0.364937320828E+03 -0.22396E-03 -0.96204E-04 4636 0.739E-02 0.271E-01 RMM: 5 -0.364936855666E+03 0.46516E-03 -0.26537E-04 3885 0.398E-02 0.973E-02 RMM: 6 -0.364936803795E+03 0.51871E-04 -0.49489E-05 3206 0.203E-02 0.444E-02 RMM: 7 -0.364936825056E+03 -0.21261E-04 -0.37387E-05 2901 0.169E-02 0.782E-02 RMM: 8 -0.364936789064E+03 0.35993E-04 -0.33328E-05 2756 0.173E-02 0.258E-02 RMM: 9 -0.364936790067E+03 -0.10029E-05 -0.10753E-05 2459 0.931E-03 1879 T= 6308. E= 0.69295718E+03 F= 0.64077040E+03 E0= 0.67143522E+03 EK= 0.52187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365838071145E+03 -0.90128E+00 -0.18031E-01 8604 0.236E+01 0.251E-01 RMM: 2 -0.365849209905E+03 -0.11139E-01 -0.87867E-02 5177 0.682E-01 0.846E-01 RMM: 3 -0.365844560590E+03 0.46493E-02 -0.85461E-03 5657 0.189E-01 0.189E-01 RMM: 4 -0.365844728936E+03 -0.16835E-03 -0.10151E-03 4676 0.749E-02 0.279E-01 RMM: 5 -0.365844270644E+03 0.45829E-03 -0.27636E-04 3906 0.420E-02 0.111E-01 RMM: 6 -0.365844194446E+03 0.76198E-04 -0.56882E-05 3309 0.217E-02 0.419E-02 RMM: 7 -0.365844212685E+03 -0.18240E-04 -0.35458E-05 2872 0.169E-02 1880 T= 6524. E= 0.69400029E+03 F= 0.64002931E+03 E0= 0.67071100E+03 EK= 0.53971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366532499759E+03 -0.68831E+00 -0.19101E-01 8424 0.239E+01 0.251E-01 RMM: 2 -0.366544970042E+03 -0.12470E-01 -0.97100E-02 5168 0.711E-01 0.867E-01 RMM: 3 -0.366539865558E+03 0.51045E-02 -0.94308E-03 5620 0.201E-01 0.208E-01 RMM: 4 -0.366539915504E+03 -0.49946E-04 -0.99370E-04 4673 0.723E-02 0.256E-01 RMM: 5 -0.366539503243E+03 0.41226E-03 -0.23651E-04 3890 0.381E-02 0.793E-02 RMM: 6 -0.366539475844E+03 0.27399E-04 -0.44219E-05 3141 0.191E-02 0.525E-02 RMM: 7 -0.366539501247E+03 -0.25402E-04 -0.42611E-05 3003 0.178E-02 0.863E-02 RMM: 8 -0.366539458520E+03 0.42726E-04 -0.35554E-05 2910 0.181E-02 0.250E-02 RMM: 9 -0.366539463225E+03 -0.47050E-05 -0.12649E-05 2465 0.103E-02 1881 T= 6684. E= 0.69479386E+03 F= 0.63949528E+03 E0= 0.67018565E+03 EK= 0.55299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366961163731E+03 -0.42171E+00 -0.19668E-01 8580 0.240E+01 0.237E-01 RMM: 2 -0.366973374078E+03 -0.12210E-01 -0.99377E-02 5163 0.709E-01 0.824E-01 RMM: 3 -0.366968612488E+03 0.47616E-02 -0.88275E-03 5690 0.193E-01 0.166E-01 RMM: 4 -0.366968819611E+03 -0.20712E-03 -0.91318E-04 4664 0.702E-02 0.278E-01 RMM: 5 -0.366968377981E+03 0.44163E-03 -0.24524E-04 3890 0.398E-02 0.112E-01 RMM: 6 -0.366968298976E+03 0.79005E-04 -0.68651E-05 3447 0.236E-02 0.392E-02 RMM: 7 -0.366968321298E+03 -0.22322E-04 -0.34422E-05 2843 0.166E-02 0.766E-02 RMM: 8 -0.366968286147E+03 0.35151E-04 -0.29930E-05 2622 0.162E-02 0.265E-02 RMM: 9 -0.366968286508E+03 -0.36161E-06 -0.11555E-05 2456 0.954E-03 1882 T= 6723. E= 0.69484143E+03 F= 0.63922337E+03 E0= 0.66991493E+03 EK= 0.55618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367110469441E+03 -0.14218E+00 -0.19317E-01 8556 0.239E+01 0.211E-01 RMM: 2 -0.367121322319E+03 -0.10853E-01 -0.92395E-02 5251 0.671E-01 0.720E-01 RMM: 3 -0.367117403496E+03 0.39188E-02 -0.74317E-03 5888 0.172E-01 0.158E-01 RMM: 4 -0.367117451942E+03 -0.48446E-04 -0.70525E-04 4662 0.625E-02 0.224E-01 RMM: 5 -0.367117157284E+03 0.29466E-03 -0.19059E-04 3883 0.347E-02 0.945E-02 RMM: 6 -0.367117115453E+03 0.41831E-04 -0.57028E-05 3305 0.219E-02 0.541E-02 RMM: 7 -0.367117149514E+03 -0.34061E-04 -0.45277E-05 3079 0.188E-02 0.927E-02 RMM: 8 -0.367117096909E+03 0.52604E-04 -0.31388E-05 2731 0.174E-02 0.267E-02 RMM: 9 -0.367117096712E+03 0.19699E-06 -0.10198E-05 2453 0.887E-03 1883 T= 6623. E= 0.69402089E+03 F= 0.63922828E+03 E0= 0.66991512E+03 EK= 0.54793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367009208830E+03 0.10789E+00 -0.19151E-01 8436 0.236E+01 0.224E-01 RMM: 2 -0.367023076256E+03 -0.13867E-01 -0.92646E-02 5161 0.684E-01 0.992E-01 RMM: 3 -0.367016124131E+03 0.69521E-02 -0.82952E-03 5712 0.190E-01 0.166E-01 RMM: 4 -0.367016085457E+03 0.38673E-04 -0.77839E-04 4665 0.641E-02 0.190E-01 RMM: 5 -0.367015895888E+03 0.18957E-03 -0.17545E-04 3883 0.344E-02 0.106E-01 RMM: 6 -0.367015838532E+03 0.57356E-04 -0.62738E-05 3380 0.227E-02 0.563E-02 RMM: 7 -0.367015880570E+03 -0.42038E-04 -0.57522E-05 3344 0.210E-02 0.996E-02 RMM: 8 -0.367015821136E+03 0.59434E-04 -0.33735E-05 2952 0.183E-02 0.255E-02 RMM: 9 -0.367015821508E+03 -0.37149E-06 -0.94813E-06 2454 0.855E-03 1884 T= 6428. E= 0.69265754E+03 F= 0.63948101E+03 E0= 0.67015924E+03 EK= 0.53177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366719409822E+03 0.29641E+00 -0.17957E-01 8520 0.231E+01 0.195E-01 RMM: 2 -0.366731195817E+03 -0.11786E-01 -0.85462E-02 5250 0.646E-01 0.848E-01 RMM: 3 -0.366725903645E+03 0.52922E-02 -0.66350E-03 5607 0.172E-01 0.166E-01 RMM: 4 -0.366725833511E+03 0.70134E-04 -0.62319E-04 4650 0.573E-02 0.161E-01 RMM: 5 -0.366725699951E+03 0.13356E-03 -0.15818E-04 3877 0.332E-02 0.104E-01 RMM: 6 -0.366725652819E+03 0.47132E-04 -0.78830E-05 3597 0.251E-02 0.643E-02 RMM: 7 -0.366725698518E+03 -0.45699E-04 -0.54360E-05 3284 0.207E-02 0.106E-01 RMM: 8 -0.366725628719E+03 0.69799E-04 -0.34639E-05 2940 0.184E-02 0.268E-02 RMM: 9 -0.366725628606E+03 0.11296E-06 -0.99181E-06 2456 0.869E-03 1885 T= 6215. E= 0.69133872E+03 F= 0.63992063E+03 E0= 0.67058800E+03 EK= 0.51418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366313573104E+03 0.41206E+00 -0.17258E-01 8340 0.228E+01 0.193E-01 RMM: 2 -0.366326405863E+03 -0.12833E-01 -0.86674E-02 5115 0.669E-01 0.912E-01 RMM: 3 -0.366320403076E+03 0.60028E-02 -0.78183E-03 5587 0.185E-01 0.142E-01 RMM: 4 -0.366320376307E+03 0.26769E-04 -0.61799E-04 4649 0.573E-02 0.166E-01 RMM: 5 -0.366320214985E+03 0.16132E-03 -0.14445E-04 3879 0.329E-02 0.870E-02 RMM: 6 -0.366320196179E+03 0.18806E-04 -0.61756E-05 3369 0.219E-02 1886 T= 6064. E= 0.69063719E+03 F= 0.64047291E+03 E0= 0.67112874E+03 EK= 0.50164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365863258818E+03 0.45696E+00 -0.16830E-01 8220 0.226E+01 0.310E-01 RMM: 2 -0.365887954857E+03 -0.24696E-01 -0.89879E-02 5160 0.693E-01 0.167E+00 RMM: 3 -0.365869879536E+03 0.18075E-01 -0.12338E-02 5339 0.263E-01 0.269E-01 RMM: 4 -0.365869491451E+03 0.38808E-03 -0.12618E-03 4706 0.716E-02 0.142E-01 RMM: 5 -0.365869466182E+03 0.25269E-04 -0.22565E-04 3923 0.394E-02 0.152E-01 RMM: 6 -0.365869341313E+03 0.12487E-03 -0.13805E-04 3878 0.329E-02 0.728E-02 RMM: 7 -0.365869408799E+03 -0.67486E-04 -0.86157E-05 3671 0.253E-02 0.124E-01 RMM: 8 -0.365869328002E+03 0.80797E-04 -0.48595E-05 3208 0.205E-02 0.532E-02 RMM: 9 -0.365869314929E+03 0.13073E-04 -0.16491E-05 2514 0.122E-02 1887 T= 6026. E= 0.69092123E+03 F= 0.64106688E+03 E0= 0.67171029E+03 EK= 0.49854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365419773127E+03 0.44955E+00 -0.17033E-01 7944 0.227E+01 0.332E-01 RMM: 2 -0.365447295464E+03 -0.27522E-01 -0.81363E-02 4909 0.688E-01 0.182E+00 RMM: 3 -0.365425906385E+03 0.21389E-01 -0.13508E-02 5339 0.283E-01 0.384E-01 RMM: 4 -0.365424969409E+03 0.93698E-03 -0.16830E-03 4927 0.882E-02 0.127E-01 RMM: 5 -0.365425052129E+03 -0.82720E-04 -0.27796E-04 3977 0.425E-02 0.178E-01 RMM: 6 -0.365424844601E+03 0.20753E-03 -0.92368E-05 3662 0.278E-02 0.421E-02 RMM: 7 -0.365424854617E+03 -0.10016E-04 -0.33898E-05 2944 0.165E-02 1888 T= 6121. E= 0.69228374E+03 F= 0.64164927E+03 E0= 0.67228003E+03 EK= 0.50634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365003237945E+03 0.42161E+00 -0.17345E-01 8052 0.230E+01 0.232E-01 RMM: 2 -0.365017486829E+03 -0.14249E-01 -0.75024E-02 5127 0.641E-01 0.113E+00 RMM: 3 -0.365008936965E+03 0.85499E-02 -0.81617E-03 5370 0.203E-01 0.204E-01 RMM: 4 -0.365008793575E+03 0.14339E-03 -0.82659E-04 4663 0.630E-02 0.160E-01 RMM: 5 -0.365008696808E+03 0.96767E-04 -0.16092E-04 3884 0.323E-02 0.124E-01 RMM: 6 -0.365008608824E+03 0.87984E-04 -0.74953E-05 3499 0.249E-02 0.524E-02 RMM: 7 -0.365008643625E+03 -0.34800E-04 -0.44277E-05 3110 0.190E-02 0.927E-02 RMM: 8 -0.365008599947E+03 0.43678E-04 -0.36607E-05 2839 0.181E-02 0.453E-02 RMM: 9 -0.365008590090E+03 0.98568E-05 -0.14596E-05 2487 0.115E-02 1889 T= 6325. E= 0.69452005E+03 F= 0.64219725E+03 E0= 0.67281497E+03 EK= 0.52323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364604740196E+03 0.40386E+00 -0.18235E-01 8088 0.234E+01 0.186E-01 RMM: 2 -0.364613874474E+03 -0.91343E-02 -0.72351E-02 4844 0.648E-01 0.707E-01 RMM: 3 -0.364610537869E+03 0.33366E-02 -0.76683E-03 5486 0.183E-01 0.146E-01 RMM: 4 -0.364610622449E+03 -0.84579E-04 -0.69076E-04 4659 0.634E-02 0.210E-01 RMM: 5 -0.364610378577E+03 0.24387E-03 -0.17307E-04 3881 0.354E-02 0.973E-02 RMM: 6 -0.364610320011E+03 0.58566E-04 -0.37383E-05 2970 0.188E-02 0.326E-02 RMM: 7 -0.364610329479E+03 -0.94682E-05 -0.24382E-05 2539 0.147E-02 1890 T= 6576. E= 0.69712328E+03 F= 0.64272064E+03 E0= 0.67332450E+03 EK= 0.54403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364189082518E+03 0.42124E+00 -0.18321E-01 7992 0.239E+01 0.197E-01 RMM: 2 -0.364197455294E+03 -0.83728E-02 -0.69646E-02 4978 0.648E-01 0.661E-01 RMM: 3 -0.364194585015E+03 0.28703E-02 -0.71164E-03 5452 0.176E-01 0.156E-01 RMM: 4 -0.364194658650E+03 -0.73636E-04 -0.67135E-04 4638 0.628E-02 0.208E-01 RMM: 5 -0.364194387165E+03 0.27149E-03 -0.17283E-04 3878 0.345E-02 0.775E-02 RMM: 6 -0.364194358187E+03 0.28978E-04 -0.30455E-05 2826 0.168E-02 0.454E-02 RMM: 7 -0.364194368703E+03 -0.10517E-04 -0.32515E-05 2741 0.166E-02 1891 T= 6783. E= 0.69937123E+03 F= 0.64325562E+03 E0= 0.67384472E+03 EK= 0.56116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363711763808E+03 0.48259E+00 -0.18625E-01 8376 0.242E+01 0.213E-01 RMM: 2 -0.363721656571E+03 -0.98928E-02 -0.72564E-02 4918 0.666E-01 0.827E-01 RMM: 3 -0.363717437114E+03 0.42195E-02 -0.79890E-03 5480 0.191E-01 0.202E-01 RMM: 4 -0.363717369366E+03 0.67748E-04 -0.79094E-04 4645 0.677E-02 0.189E-01 RMM: 5 -0.363717180550E+03 0.18882E-03 -0.17319E-04 3869 0.343E-02 0.108E-01 RMM: 6 -0.363717110213E+03 0.70336E-04 -0.44568E-05 3135 0.207E-02 0.368E-02 RMM: 7 -0.363717113321E+03 -0.31082E-05 -0.18476E-05 2500 0.128E-02 1892 T= 6859. E= 0.70058595E+03 F= 0.64384690E+03 E0= 0.67442072E+03 EK= 0.56739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363146667145E+03 0.57044E+00 -0.18348E-01 8064 0.242E+01 0.201E-01 RMM: 2 -0.363156585337E+03 -0.99182E-02 -0.75431E-02 5045 0.659E-01 0.772E-01 RMM: 3 -0.363152563354E+03 0.40220E-02 -0.75477E-03 5469 0.185E-01 0.179E-01 RMM: 4 -0.363152563978E+03 -0.62411E-06 -0.68883E-04 4633 0.623E-02 0.192E-01 RMM: 5 -0.363152354155E+03 0.20982E-03 -0.14718E-04 3862 0.311E-02 0.992E-02 RMM: 6 -0.363152299252E+03 0.54904E-04 -0.42997E-05 3090 0.200E-02 0.416E-02 RMM: 7 -0.363152312236E+03 -0.12984E-04 -0.28673E-05 2621 0.155E-02 1893 T= 6766. E= 0.70049352E+03 F= 0.64452210E+03 E0= 0.67508141E+03 EK= 0.55971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362505218783E+03 0.64708E+00 -0.17775E-01 7980 0.239E+01 0.227E-01 RMM: 2 -0.362517051341E+03 -0.11833E-01 -0.75732E-02 5110 0.663E-01 0.973E-01 RMM: 3 -0.362510923924E+03 0.61274E-02 -0.80455E-03 5498 0.195E-01 0.202E-01 RMM: 4 -0.362510790262E+03 0.13366E-03 -0.75398E-04 4623 0.629E-02 0.165E-01 RMM: 5 -0.362510703659E+03 0.86604E-04 -0.15588E-04 3874 0.324E-02 0.130E-01 RMM: 6 -0.362510597596E+03 0.10606E-03 -0.66728E-05 3419 0.244E-02 0.374E-02 RMM: 7 -0.362510608944E+03 -0.11347E-04 -0.23238E-05 2561 0.143E-02 1894 T= 6543. E= 0.69939967E+03 F= 0.64527173E+03 E0= 0.67581733E+03 EK= 0.54128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361832361977E+03 0.67824E+00 -0.16505E-01 7680 0.234E+01 0.239E-01 RMM: 2 -0.361846082069E+03 -0.13720E-01 -0.77252E-02 5220 0.667E-01 0.111E+00 RMM: 3 -0.361838040747E+03 0.80413E-02 -0.83227E-03 5450 0.203E-01 0.204E-01 RMM: 4 -0.361837836106E+03 0.20464E-03 -0.79197E-04 4635 0.621E-02 0.140E-01 RMM: 5 -0.361837765494E+03 0.70613E-04 -0.14125E-04 3878 0.305E-02 0.118E-01 RMM: 6 -0.361837685650E+03 0.79844E-04 -0.60804E-05 3355 0.231E-02 0.440E-02 RMM: 7 -0.361837710628E+03 -0.24978E-04 -0.32513E-05 2789 0.163E-02 0.829E-02 RMM: 8 -0.361837677656E+03 0.32971E-04 -0.41606E-05 2789 0.190E-02 0.437E-02 RMM: 9 -0.361837668180E+03 0.94760E-05 -0.14855E-05 2470 0.113E-02 1895 T= 6281. E= 0.69800762E+03 F= 0.64605075E+03 E0= 0.67658436E+03 EK= 0.51957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361191375784E+03 0.64630E+00 -0.15713E-01 7644 0.229E+01 0.213E-01 RMM: 2 -0.361203654652E+03 -0.12279E-01 -0.75209E-02 5160 0.650E-01 0.101E+00 RMM: 3 -0.361197075945E+03 0.65787E-02 -0.76468E-03 5482 0.190E-01 0.160E-01 RMM: 4 -0.361197059533E+03 0.16412E-04 -0.69773E-04 4641 0.591E-02 0.172E-01 RMM: 5 -0.361196907087E+03 0.15245E-03 -0.14048E-04 3881 0.311E-02 0.105E-01 RMM: 6 -0.361196840567E+03 0.66520E-04 -0.63638E-05 3395 0.231E-02 0.409E-02 RMM: 7 -0.361196863015E+03 -0.22448E-04 -0.31494E-05 2682 0.169E-02 0.744E-02 RMM: 8 -0.361196828345E+03 0.34670E-04 -0.22017E-05 2555 0.139E-02 0.246E-02 RMM: 9 -0.361196826271E+03 0.20739E-05 -0.75074E-06 2437 0.790E-03 1896 T= 6075. E= 0.69705632E+03 F= 0.64679566E+03 E0= 0.67731865E+03 EK= 0.50261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360642765886E+03 0.55406E+00 -0.15467E-01 7668 0.226E+01 0.226E-01 RMM: 2 -0.360656087496E+03 -0.13322E-01 -0.72000E-02 5218 0.650E-01 0.110E+00 RMM: 3 -0.360648109746E+03 0.79778E-02 -0.75210E-03 5495 0.191E-01 0.194E-01 RMM: 4 -0.360647891582E+03 0.21816E-03 -0.73706E-04 4627 0.604E-02 0.119E-01 RMM: 5 -0.360647830890E+03 0.60692E-04 -0.12010E-04 3874 0.284E-02 0.951E-02 RMM: 6 -0.360647783362E+03 0.47529E-04 -0.38415E-05 3031 0.188E-02 0.438E-02 RMM: 7 -0.360647803868E+03 -0.20507E-04 -0.31621E-05 2781 0.162E-02 0.759E-02 RMM: 8 -0.360647772066E+03 0.31802E-04 -0.29032E-05 2599 0.163E-02 0.325E-02 RMM: 9 -0.360647767010E+03 0.50564E-05 -0.94549E-06 2441 0.889E-03 1897 T= 5997. E= 0.69705541E+03 F= 0.64744604E+03 E0= 0.67795953E+03 EK= 0.49609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360224937122E+03 0.42283E+00 -0.15379E-01 7572 0.226E+01 0.204E-01 RMM: 2 -0.360235541288E+03 -0.10604E-01 -0.65904E-02 5273 0.617E-01 0.938E-01 RMM: 3 -0.360229786178E+03 0.57551E-02 -0.63179E-03 5535 0.173E-01 0.173E-01 RMM: 4 -0.360229636065E+03 0.15011E-03 -0.59844E-04 4628 0.547E-02 0.126E-01 RMM: 5 -0.360229573482E+03 0.62583E-04 -0.11357E-04 3853 0.271E-02 0.104E-01 RMM: 6 -0.360229509457E+03 0.64025E-04 -0.43351E-05 3103 0.199E-02 0.415E-02 RMM: 7 -0.360229525883E+03 -0.16425E-04 -0.27962E-05 2615 0.154E-02 1898 T= 6072. E= 0.69819159E+03 F= 0.64796182E+03 E0= 0.67846594E+03 EK= 0.50230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359946809997E+03 0.28270E+00 -0.15617E-01 7740 0.228E+01 0.200E-01 RMM: 2 -0.359956903203E+03 -0.10093E-01 -0.64858E-02 5252 0.607E-01 0.891E-01 RMM: 3 -0.359951692700E+03 0.52105E-02 -0.62011E-03 5559 0.170E-01 0.184E-01 RMM: 4 -0.359951524188E+03 0.16851E-03 -0.59242E-04 4606 0.547E-02 0.127E-01 RMM: 5 -0.359951444255E+03 0.79933E-04 -0.10017E-04 3749 0.252E-02 0.871E-02 RMM: 6 -0.359951403039E+03 0.41216E-04 -0.29562E-05 2799 0.168E-02 0.392E-02 RMM: 7 -0.359951418853E+03 -0.15814E-04 -0.29735E-05 2714 0.153E-02 1899 T= 6283. E= 0.70031079E+03 F= 0.64833280E+03 E0= 0.67882934E+03 EK= 0.51978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359785598160E+03 0.16580E+00 -0.16001E-01 7872 0.233E+01 0.213E-01 RMM: 2 -0.359796476739E+03 -0.10879E-01 -0.69283E-02 5211 0.630E-01 0.935E-01 RMM: 3 -0.359790735221E+03 0.57415E-02 -0.69202E-03 5533 0.182E-01 0.180E-01 RMM: 4 -0.359790604318E+03 0.13090E-03 -0.67514E-04 4635 0.582E-02 0.144E-01 RMM: 5 -0.359790538998E+03 0.65320E-04 -0.13291E-04 3830 0.290E-02 0.122E-01 RMM: 6 -0.359790445411E+03 0.93587E-04 -0.55638E-05 3287 0.223E-02 0.305E-02 RMM: 7 -0.359790448056E+03 -0.26446E-05 -0.15530E-05 2497 0.115E-02 1900 T= 6567. E= 0.70290435E+03 F= 0.64858164E+03 E0= 0.67907012E+03 EK= 0.54323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359687403891E+03 0.10304E+00 -0.16318E-01 8124 0.239E+01 0.208E-01 RMM: 2 -0.359697723666E+03 -0.10320E-01 -0.68666E-02 5248 0.636E-01 0.895E-01 RMM: 3 -0.359692569309E+03 0.51544E-02 -0.65582E-03 5542 0.176E-01 0.198E-01 RMM: 4 -0.359692382216E+03 0.18709E-03 -0.64521E-04 4611 0.580E-02 0.141E-01 RMM: 5 -0.359692273255E+03 0.10896E-03 -0.12882E-04 3877 0.297E-02 0.922E-02 RMM: 6 -0.359692220991E+03 0.52264E-04 -0.35314E-05 3000 0.181E-02 0.375E-02 RMM: 7 -0.359692226478E+03 -0.54867E-05 -0.24523E-05 2552 0.140E-02 1901 T= 6819. E= 0.70517257E+03 F= 0.64876299E+03 E0= 0.67924509E+03 EK= 0.56410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359581890973E+03 0.11033E+00 -0.16786E-01 7716 0.243E+01 0.190E-01 RMM: 2 -0.359591163751E+03 -0.92728E-02 -0.72008E-02 5178 0.639E-01 0.745E-01 RMM: 3 -0.359587409077E+03 0.37547E-02 -0.66290E-03 5563 0.172E-01 0.155E-01 RMM: 4 -0.359587395506E+03 0.13571E-04 -0.57987E-04 4632 0.562E-02 0.168E-01 RMM: 5 -0.359587239461E+03 0.15605E-03 -0.12141E-04 3784 0.283E-02 0.960E-02 RMM: 6 -0.359587183412E+03 0.56048E-04 -0.38588E-05 3045 0.189E-02 0.322E-02 RMM: 7 -0.359587184657E+03 -0.12451E-05 -0.17597E-05 2490 0.124E-02 1902 T= 6932. E= 0.70629217E+03 F= 0.64894725E+03 E0= 0.67942419E+03 EK= 0.57345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359407681805E+03 0.17950E+00 -0.17438E-01 7560 0.244E+01 0.204E-01 RMM: 2 -0.359419069323E+03 -0.11388E-01 -0.72730E-02 5123 0.646E-01 0.932E-01 RMM: 3 -0.359413201134E+03 0.58682E-02 -0.72033E-03 5542 0.185E-01 0.183E-01 RMM: 4 -0.359413057726E+03 0.14341E-03 -0.63014E-04 4617 0.575E-02 0.137E-01 RMM: 5 -0.359412965979E+03 0.91747E-04 -0.11995E-04 3836 0.291E-02 0.981E-02 RMM: 6 -0.359412905028E+03 0.60952E-04 -0.39797E-05 3060 0.192E-02 0.371E-02 RMM: 7 -0.359412914909E+03 -0.98812E-05 -0.26101E-05 2563 0.146E-02 1903 T= 6849. E= 0.70585834E+03 F= 0.64919788E+03 E0= 0.67967283E+03 EK= 0.56660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359134095797E+03 0.27881E+00 -0.16924E-01 7248 0.242E+01 0.186E-01 RMM: 2 -0.359143075643E+03 -0.89798E-02 -0.67481E-02 5112 0.618E-01 0.746E-01 RMM: 3 -0.359139223390E+03 0.38523E-02 -0.67001E-03 5613 0.174E-01 0.140E-01 RMM: 4 -0.359139196216E+03 0.27173E-04 -0.49893E-04 4616 0.514E-02 0.145E-01 RMM: 5 -0.359139074526E+03 0.12169E-03 -0.84631E-05 3584 0.242E-02 0.859E-02 RMM: 6 -0.359139033049E+03 0.41477E-04 -0.33258E-05 2886 0.180E-02 0.343E-02 RMM: 7 -0.359139041957E+03 -0.89077E-05 -0.25085E-05 2549 0.148E-02 1904 T= 6602. E= 0.70416120E+03 F= 0.64954616E+03 E0= 0.68002184E+03 EK= 0.54615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358769522179E+03 0.36951E+00 -0.16444E-01 7452 0.238E+01 0.188E-01 RMM: 2 -0.358780132566E+03 -0.10610E-01 -0.71877E-02 5125 0.635E-01 0.857E-01 RMM: 3 -0.358775138872E+03 0.49937E-02 -0.70769E-03 5602 0.178E-01 0.170E-01 RMM: 4 -0.358774976498E+03 0.16237E-03 -0.55276E-04 4619 0.536E-02 0.110E-01 RMM: 5 -0.358774921170E+03 0.55329E-04 -0.94278E-05 3709 0.259E-02 0.917E-02 RMM: 6 -0.358774871959E+03 0.49210E-04 -0.35272E-05 2909 0.185E-02 0.412E-02 RMM: 7 -0.358774890758E+03 -0.18799E-04 -0.33385E-05 2669 0.168E-02 1905 T= 6290. E= 0.70201624E+03 F= 0.64998323E+03 E0= 0.68046411E+03 EK= 0.52033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358350337091E+03 0.42453E+00 -0.15389E-01 7308 0.234E+01 0.194E-01 RMM: 2 -0.358360066973E+03 -0.97299E-02 -0.66089E-02 5176 0.623E-01 0.832E-01 RMM: 3 -0.358355444827E+03 0.46221E-02 -0.68572E-03 5528 0.176E-01 0.153E-01 RMM: 4 -0.358355315978E+03 0.12885E-03 -0.51819E-04 4613 0.503E-02 0.113E-01 RMM: 5 -0.358355252319E+03 0.63659E-04 -0.84248E-05 3683 0.248E-02 0.860E-02 RMM: 6 -0.358355212903E+03 0.39416E-04 -0.35342E-05 2937 0.182E-02 0.413E-02 RMM: 7 -0.358355229142E+03 -0.16239E-04 -0.33551E-05 2758 0.169E-02 1906 T= 6026. E= 0.70032259E+03 F= 0.65047421E+03 E0= 0.68096440E+03 EK= 0.49848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357919915790E+03 0.43530E+00 -0.14692E-01 7500 0.231E+01 0.171E-01 RMM: 2 -0.357928286393E+03 -0.83706E-02 -0.59926E-02 5166 0.589E-01 0.749E-01 RMM: 3 -0.357924639735E+03 0.36467E-02 -0.57914E-03 5532 0.159E-01 0.167E-01 RMM: 4 -0.357924466393E+03 0.17334E-03 -0.45916E-04 4528 0.488E-02 0.932E-02 RMM: 5 -0.357924428299E+03 0.38094E-04 -0.79249E-05 3592 0.235E-02 0.852E-02 RMM: 6 -0.357924389657E+03 0.38642E-04 -0.32141E-05 2830 0.178E-02 0.399E-02 RMM: 7 -0.357924407533E+03 -0.17875E-04 -0.29045E-05 2578 0.156E-02 1907 T= 5893. E= 0.69972543E+03 F= 0.65097409E+03 E0= 0.68147665E+03 EK= 0.48751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357518022291E+03 0.40637E+00 -0.14598E-01 7380 0.230E+01 0.188E-01 RMM: 2 -0.357527184358E+03 -0.91621E-02 -0.56417E-02 5110 0.579E-01 0.856E-01 RMM: 3 -0.357522395901E+03 0.47885E-02 -0.58953E-03 5421 0.165E-01 0.174E-01 RMM: 4 -0.357522230912E+03 0.16499E-03 -0.53004E-04 4600 0.514E-02 0.103E-01 RMM: 5 -0.357522194745E+03 0.36167E-04 -0.90996E-05 3699 0.245E-02 0.912E-02 RMM: 6 -0.357522145639E+03 0.49106E-04 -0.33729E-05 2932 0.181E-02 0.333E-02 RMM: 7 -0.357522154646E+03 -0.90071E-05 -0.20016E-05 2511 0.131E-02 1908 T= 5932. E= 0.70051404E+03 F= 0.65144221E+03 E0= 0.68196099E+03 EK= 0.49072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357171259688E+03 0.35089E+00 -0.14979E-01 7488 0.233E+01 0.172E-01 RMM: 2 -0.357180159614E+03 -0.88999E-02 -0.60444E-02 5041 0.591E-01 0.797E-01 RMM: 3 -0.357176063801E+03 0.40958E-02 -0.61441E-03 5429 0.163E-01 0.151E-01 RMM: 4 -0.357175951589E+03 0.11221E-03 -0.52398E-04 4579 0.524E-02 0.108E-01 RMM: 5 -0.357175895184E+03 0.56404E-04 -0.85774E-05 3589 0.237E-02 0.789E-02 RMM: 6 -0.357175859337E+03 0.35847E-04 -0.27739E-05 2708 0.167E-02 0.288E-02 RMM: 7 -0.357175864487E+03 -0.51497E-05 -0.14731E-05 2486 0.112E-02 1909 T= 6137. E= 0.70262251E+03 F= 0.65185039E+03 E0= 0.68238962E+03 EK= 0.50772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356898295649E+03 0.27756E+00 -0.15287E-01 7476 0.238E+01 0.188E-01 RMM: 2 -0.356907277934E+03 -0.89823E-02 -0.57160E-02 5134 0.580E-01 0.832E-01 RMM: 3 -0.356902735882E+03 0.45421E-02 -0.58436E-03 5393 0.163E-01 0.167E-01 RMM: 4 -0.356902625631E+03 0.11025E-03 -0.55868E-04 4569 0.532E-02 0.129E-01 RMM: 5 -0.356902549606E+03 0.76025E-04 -0.10519E-04 3804 0.264E-02 0.912E-02 RMM: 6 -0.356902497191E+03 0.52415E-04 -0.34504E-05 2974 0.182E-02 0.281E-02 RMM: 7 -0.356902496597E+03 0.59466E-06 -0.13355E-05 2465 0.108E-02 1910 T= 6458. E= 0.70560540E+03 F= 0.65218126E+03 E0= 0.68274514E+03 EK= 0.53424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356711854261E+03 0.19064E+00 -0.15905E-01 7536 0.243E+01 0.184E-01 RMM: 2 -0.356721528885E+03 -0.96746E-02 -0.61634E-02 5179 0.597E-01 0.865E-01 RMM: 3 -0.356716680316E+03 0.48486E-02 -0.59525E-03 5426 0.163E-01 0.151E-01 RMM: 4 -0.356716602753E+03 0.77564E-04 -0.57854E-04 4602 0.553E-02 0.133E-01 RMM: 5 -0.356716495387E+03 0.10737E-03 -0.10694E-04 3778 0.264E-02 0.754E-02 RMM: 6 -0.356716463240E+03 0.32147E-04 -0.24995E-05 2644 0.157E-02 0.326E-02 RMM: 7 -0.356716462819E+03 0.42080E-06 -0.13433E-05 2480 0.105E-02 1911 T= 6794. E= 0.70862352E+03 F= 0.65242053E+03 E0= 0.68301256E+03 EK= 0.56203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356631759688E+03 0.84704E-01 -0.16607E-01 7488 0.247E+01 0.185E-01 RMM: 2 -0.356641416245E+03 -0.96566E-02 -0.65471E-02 5191 0.614E-01 0.823E-01 RMM: 3 -0.356636976265E+03 0.44400E-02 -0.63467E-03 5508 0.164E-01 0.167E-01 RMM: 4 -0.356636870761E+03 0.10550E-03 -0.57627E-04 4600 0.560E-02 0.145E-01 RMM: 5 -0.356636749180E+03 0.12158E-03 -0.11255E-04 3822 0.280E-02 0.788E-02 RMM: 6 -0.356636713014E+03 0.36166E-04 -0.26145E-05 2721 0.160E-02 0.342E-02 RMM: 7 -0.356636710696E+03 0.23182E-05 -0.12007E-05 2465 0.102E-02 1912 T= 7019. E= 0.71061925E+03 F= 0.65254985E+03 E0= 0.68317352E+03 EK= 0.58069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356687032578E+03 -0.50320E-01 -0.17026E-01 7488 0.248E+01 0.171E-01 RMM: 2 -0.356696387194E+03 -0.93546E-02 -0.67067E-02 5204 0.616E-01 0.773E-01 RMM: 3 -0.356692428575E+03 0.39586E-02 -0.61751E-03 5559 0.160E-01 0.149E-01 RMM: 4 -0.356692316118E+03 0.11246E-03 -0.50030E-04 4581 0.523E-02 0.125E-01 RMM: 5 -0.356692215537E+03 0.10058E-03 -0.89780E-05 3651 0.251E-02 0.671E-02 RMM: 6 -0.356692192892E+03 0.22645E-04 -0.21262E-05 2541 0.143E-02 0.364E-02 RMM: 7 -0.356692191916E+03 0.97622E-06 -0.17799E-05 2501 0.119E-02 1913 T= 7040. E= 0.71078133E+03 F= 0.65254106E+03 E0= 0.68319816E+03 EK= 0.58240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356912485306E+03 -0.22029E+00 -0.16664E-01 7608 0.245E+01 0.180E-01 RMM: 2 -0.356922371648E+03 -0.98863E-02 -0.66911E-02 5185 0.614E-01 0.824E-01 RMM: 3 -0.356917799467E+03 0.45722E-02 -0.62644E-03 5539 0.164E-01 0.171E-01 RMM: 4 -0.356917646145E+03 0.15332E-03 -0.54528E-04 4595 0.536E-02 0.122E-01 RMM: 5 -0.356917585017E+03 0.61128E-04 -0.10007E-04 3713 0.259E-02 0.890E-02 RMM: 6 -0.356917537467E+03 0.47549E-04 -0.31491E-05 2903 0.177E-02 0.323E-02 RMM: 7 -0.356917536535E+03 0.93235E-06 -0.11118E-05 2470 0.990E-03 1914 T= 6850. E= 0.70903184E+03 F= 0.65236032E+03 E0= 0.68305163E+03 EK= 0.56672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357335308233E+03 -0.41777E+00 -0.15882E-01 7692 0.240E+01 0.181E-01 RMM: 2 -0.357345664234E+03 -0.10356E-01 -0.67456E-02 5206 0.611E-01 0.865E-01 RMM: 3 -0.357340610728E+03 0.50535E-02 -0.63062E-03 5480 0.169E-01 0.171E-01 RMM: 4 -0.357340414527E+03 0.19620E-03 -0.51227E-04 4616 0.495E-02 0.876E-02 RMM: 5 -0.357340376753E+03 0.37774E-04 -0.76090E-05 3565 0.229E-02 0.757E-02 RMM: 6 -0.357340345127E+03 0.31626E-04 -0.25146E-05 2593 0.156E-02 0.360E-02 RMM: 7 -0.357340348693E+03 -0.35664E-05 -0.16165E-05 2495 0.118E-02 1915 T= 6538. E= 0.70606394E+03 F= 0.65198054E+03 E0= 0.68270445E+03 EK= 0.54083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357964227136E+03 -0.62388E+00 -0.14969E-01 7740 0.234E+01 0.185E-01 RMM: 2 -0.357974858973E+03 -0.10632E-01 -0.63105E-02 5233 0.594E-01 0.927E-01 RMM: 3 -0.357969153221E+03 0.57058E-02 -0.60958E-03 5444 0.170E-01 0.196E-01 RMM: 4 -0.357968904568E+03 0.24865E-03 -0.55477E-04 4638 0.511E-02 0.864E-02 RMM: 5 -0.357968887479E+03 0.17089E-04 -0.95135E-05 3746 0.257E-02 1916 T= 6225. E= 0.70289475E+03 F= 0.65139357E+03 E0= 0.68214817E+03 EK= 0.51501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358782485723E+03 -0.81358E+00 -0.14701E-01 7944 0.229E+01 0.146E-01 RMM: 2 -0.358791131574E+03 -0.86459E-02 -0.60060E-02 5286 0.556E-01 0.730E-01 RMM: 3 -0.358787358233E+03 0.37733E-02 -0.49902E-03 5457 0.148E-01 0.153E-01 RMM: 4 -0.358787205739E+03 0.15249E-03 -0.38049E-04 4224 0.411E-02 0.797E-02 RMM: 5 -0.358787166003E+03 0.39736E-04 -0.47978E-05 3079 0.195E-02 0.713E-02 RMM: 6 -0.358787144074E+03 0.21929E-04 -0.28492E-05 2538 0.164E-02 0.513E-02 RMM: 7 -0.358787177344E+03 -0.33271E-04 -0.58668E-05 3421 0.189E-02 0.102E-01 RMM: 8 -0.358787112957E+03 0.64387E-04 -0.73123E-05 3835 0.204E-02 0.244E-02 RMM: 9 -0.358787114286E+03 -0.13283E-05 -0.11588E-05 2466 0.964E-03 1917 T= 6015. E= 0.70037688E+03 F= 0.65061513E+03 E0= 0.68139622E+03 EK= 0.49762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359751960041E+03 -0.96485E+00 -0.14461E-01 7752 0.227E+01 0.198E-01 RMM: 2 -0.359760189451E+03 -0.82294E-02 -0.62201E-02 5150 0.585E-01 0.756E-01 RMM: 3 -0.359756494868E+03 0.36946E-02 -0.60478E-03 5653 0.158E-01 0.153E-01 RMM: 4 -0.359756538600E+03 -0.43732E-04 -0.60388E-04 4603 0.567E-02 0.199E-01 RMM: 5 -0.359756317098E+03 0.22150E-03 -0.14461E-04 3810 0.309E-02 0.831E-02 RMM: 6 -0.359756274996E+03 0.42102E-04 -0.31422E-05 2946 0.175E-02 0.227E-02 RMM: 7 -0.359756281941E+03 -0.69453E-05 -0.13327E-05 2476 0.108E-02 1918 T= 5960. E= 0.69898521E+03 F= 0.64968339E+03 E0= 0.68048744E+03 EK= 0.49302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360808942552E+03 -0.10527E+01 -0.14631E-01 8052 0.228E+01 0.146E-01 RMM: 2 -0.360816880201E+03 -0.79376E-02 -0.60406E-02 5255 0.564E-01 0.684E-01 RMM: 3 -0.360813776974E+03 0.31032E-02 -0.55573E-03 5804 0.143E-01 0.136E-01 RMM: 4 -0.360813627736E+03 0.14924E-03 -0.36345E-04 4134 0.434E-02 0.880E-02 RMM: 5 -0.360813578484E+03 0.49252E-04 -0.57388E-05 3307 0.211E-02 0.630E-02 RMM: 6 -0.360813559482E+03 0.19002E-04 -0.20257E-05 2523 0.135E-02 1919 T= 6063. E= 0.69881734E+03 F= 0.64866060E+03 E0= 0.67948333E+03 EK= 0.50157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361874907615E+03 -0.10613E+01 -0.15120E-01 8076 0.231E+01 0.187E-01 RMM: 2 -0.361885287482E+03 -0.10380E-01 -0.63337E-02 5217 0.575E-01 0.914E-01 RMM: 3 -0.361879804951E+03 0.54825E-02 -0.66240E-03 5443 0.174E-01 0.135E-01 RMM: 4 -0.361879698924E+03 0.10603E-03 -0.54831E-04 4650 0.459E-02 0.101E-01 RMM: 5 -0.361879638058E+03 0.60866E-04 -0.65071E-05 3442 0.219E-02 0.685E-02 RMM: 6 -0.361879615999E+03 0.22059E-04 -0.25416E-05 2562 0.152E-02 0.463E-02 RMM: 7 -0.361879628192E+03 -0.12194E-04 -0.36394E-05 2842 0.173E-02 1920 T= 6286. E= 0.69962525E+03 F= 0.64762563E+03 E0= 0.67846235E+03 EK= 0.52000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362859935272E+03 -0.98032E+00 -0.15648E-01 8124 0.236E+01 0.238E-01 RMM: 2 -0.362870868877E+03 -0.10934E-01 -0.61359E-02 5288 0.595E-01 0.103E+00 RMM: 3 -0.362864337300E+03 0.65316E-02 -0.66607E-03 5471 0.183E-01 0.266E-01 RMM: 4 -0.362863938788E+03 0.39851E-03 -0.91332E-04 4612 0.678E-02 0.135E-01 RMM: 5 -0.362863910825E+03 0.27963E-04 -0.17956E-04 3868 0.344E-02 0.123E-01 RMM: 6 -0.362863815360E+03 0.95465E-04 -0.53623E-05 3290 0.221E-02 0.283E-02 RMM: 7 -0.362863814982E+03 0.37800E-06 -0.13016E-05 2492 0.104E-02 1921 T= 6550. E= 0.70085225E+03 F= 0.64666902E+03 E0= 0.67751510E+03 EK= 0.54183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363674193838E+03 -0.81038E+00 -0.16522E-01 8268 0.240E+01 0.209E-01 RMM: 2 -0.363688217249E+03 -0.14023E-01 -0.70812E-02 5278 0.621E-01 0.116E+00 RMM: 3 -0.363679590758E+03 0.86265E-02 -0.72172E-03 5459 0.185E-01 0.185E-01 RMM: 4 -0.363679399259E+03 0.19150E-03 -0.67651E-04 4640 0.547E-02 0.113E-01 RMM: 5 -0.363679316214E+03 0.83045E-04 -0.10655E-04 3816 0.264E-02 0.784E-02 RMM: 6 -0.363679280318E+03 0.35897E-04 -0.27645E-05 2711 0.158E-02 0.412E-02 RMM: 7 -0.363679276819E+03 0.34987E-05 -0.17534E-05 2500 0.120E-02 1922 T= 6754. E= 0.70175027E+03 F= 0.64587773E+03 E0= 0.67672678E+03 EK= 0.55873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364261080294E+03 -0.58180E+00 -0.16886E-01 8100 0.242E+01 0.166E-01 RMM: 2 -0.364269822125E+03 -0.87418E-02 -0.62264E-02 5263 0.579E-01 0.767E-01 RMM: 3 -0.364265885315E+03 0.39368E-02 -0.56851E-03 5558 0.156E-01 0.157E-01 RMM: 4 -0.364265714754E+03 0.17056E-03 -0.44612E-04 4395 0.457E-02 0.869E-02 RMM: 5 -0.364265684753E+03 0.30002E-04 -0.73998E-05 3553 0.236E-02 0.730E-02 RMM: 6 -0.364265654442E+03 0.30311E-04 -0.23387E-05 2614 0.150E-02 0.336E-02 RMM: 7 -0.364265657572E+03 -0.31304E-05 -0.12863E-05 2473 0.107E-02 1923 T= 6813. E= 0.70167419E+03 F= 0.64531232E+03 E0= 0.67615844E+03 EK= 0.56362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364601734000E+03 -0.33608E+00 -0.17100E-01 8088 0.241E+01 0.183E-01 RMM: 2 -0.364612302165E+03 -0.10568E-01 -0.66343E-02 5245 0.594E-01 0.917E-01 RMM: 3 -0.364606780126E+03 0.55220E-02 -0.61666E-03 5525 0.164E-01 0.161E-01 RMM: 4 -0.364606662720E+03 0.11741E-03 -0.55030E-04 4630 0.513E-02 0.126E-01 RMM: 5 -0.364606580839E+03 0.81881E-04 -0.95487E-05 3711 0.252E-02 0.787E-02 RMM: 6 -0.364606543212E+03 0.37627E-04 -0.27159E-05 2771 0.161E-02 0.292E-02 RMM: 7 -0.364606543840E+03 -0.62855E-06 -0.12762E-05 2474 0.102E-02 1924 T= 6702. E= 0.70043543E+03 F= 0.64498941E+03 E0= 0.67582600E+03 EK= 0.55446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364727438711E+03 -0.12090E+00 -0.16534E-01 7968 0.237E+01 0.145E-01 RMM: 2 -0.364735872378E+03 -0.84337E-02 -0.63815E-02 5262 0.568E-01 0.694E-01 RMM: 3 -0.364732465183E+03 0.34072E-02 -0.53237E-03 5597 0.146E-01 0.124E-01 RMM: 4 -0.364732367004E+03 0.98179E-04 -0.35664E-04 4220 0.410E-02 0.904E-02 RMM: 5 -0.364732318972E+03 0.48032E-04 -0.53084E-05 3180 0.211E-02 0.645E-02 RMM: 6 -0.364732298128E+03 0.20844E-04 -0.26067E-05 2557 0.157E-02 0.380E-02 RMM: 7 -0.364732304050E+03 -0.59219E-05 -0.25368E-05 2561 0.139E-02 1925 T= 6472. E= 0.69841659E+03 F= 0.64487869E+03 E0= 0.67570023E+03 EK= 0.53538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364702781328E+03 0.29517E-01 -0.15964E-01 7644 0.232E+01 0.169E-01 RMM: 2 -0.364712415097E+03 -0.96338E-02 -0.66228E-02 5139 0.590E-01 0.819E-01 RMM: 3 -0.364707925324E+03 0.44898E-02 -0.61778E-03 5625 0.159E-01 0.166E-01 RMM: 4 -0.364707753257E+03 0.17207E-03 -0.49404E-04 4610 0.501E-02 0.996E-02 RMM: 5 -0.364707714671E+03 0.38587E-04 -0.76240E-05 3520 0.229E-02 0.772E-02 RMM: 6 -0.364707680399E+03 0.34271E-04 -0.23942E-05 2598 0.155E-02 0.263E-02 RMM: 7 -0.364707684210E+03 -0.38107E-05 -0.11295E-05 2467 0.976E-03 1926 T= 6216. E= 0.69633799E+03 F= 0.64491528E+03 E0= 0.67571735E+03 EK= 0.51423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364604909259E+03 0.10277E+00 -0.15587E-01 7488 0.228E+01 0.138E-01 RMM: 2 -0.364612660336E+03 -0.77511E-02 -0.64556E-02 5108 0.575E-01 0.589E-01 RMM: 3 -0.364610113306E+03 0.25470E-02 -0.57992E-03 5665 0.147E-01 0.109E-01 RMM: 4 -0.364610057586E+03 0.55720E-04 -0.33816E-04 4244 0.425E-02 0.116E-01 RMM: 5 -0.364609968222E+03 0.89364E-04 -0.60068E-05 3311 0.226E-02 0.569E-02 RMM: 6 -0.364609952351E+03 0.15871E-04 -0.22525E-05 2520 0.142E-02 1927 T= 6029. E= 0.69489578E+03 F= 0.64502168E+03 E0= 0.67580221E+03 EK= 0.49874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364502366847E+03 0.10760E+00 -0.14814E-01 7416 0.226E+01 0.182E-01 RMM: 2 -0.364512986967E+03 -0.10620E-01 -0.57137E-02 5178 0.553E-01 0.964E-01 RMM: 3 -0.364506780959E+03 0.62060E-02 -0.60077E-03 5396 0.170E-01 0.177E-01 RMM: 4 -0.364506588154E+03 0.19280E-03 -0.52042E-04 4657 0.465E-02 0.725E-02 RMM: 5 -0.364506562252E+03 0.25902E-04 -0.62855E-05 3385 0.215E-02 0.686E-02 RMM: 6 -0.364506538833E+03 0.23418E-04 -0.24658E-05 2551 0.151E-02 0.434E-02 RMM: 7 -0.364506548289E+03 -0.94561E-05 -0.21536E-05 2525 0.135E-02 1928 T= 5972. E= 0.69453267E+03 F= 0.64513024E+03 E0= 0.67588868E+03 EK= 0.49402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364437675873E+03 0.68863E-01 -0.14805E-01 7500 0.226E+01 0.239E-01 RMM: 2 -0.364452275228E+03 -0.14599E-01 -0.60587E-02 5062 0.597E-01 0.126E+00 RMM: 3 -0.364442096856E+03 0.10178E-01 -0.74976E-03 5394 0.198E-01 0.250E-01 RMM: 4 -0.364441721837E+03 0.37502E-03 -0.94431E-04 4611 0.676E-02 0.112E-01 RMM: 5 -0.364441765048E+03 -0.43211E-04 -0.16555E-04 3869 0.324E-02 0.139E-01 RMM: 6 -0.364441641670E+03 0.12338E-03 -0.57028E-05 3329 0.227E-02 0.294E-02 RMM: 7 -0.364441638413E+03 0.32573E-05 -0.11633E-05 2480 0.101E-02 1929 T= 6065. E= 0.69537428E+03 F= 0.64519670E+03 E0= 0.67593445E+03 EK= 0.50178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364425847661E+03 0.15794E-01 -0.15429E-01 7500 0.230E+01 0.205E-01 RMM: 2 -0.364438479398E+03 -0.12632E-01 -0.59631E-02 5231 0.583E-01 0.112E+00 RMM: 3 -0.364430406294E+03 0.80731E-02 -0.64366E-03 5379 0.180E-01 0.205E-01 RMM: 4 -0.364430130982E+03 0.27531E-03 -0.63911E-04 4626 0.537E-02 0.846E-02 RMM: 5 -0.364430095781E+03 0.35201E-04 -0.96253E-05 3756 0.254E-02 0.792E-02 RMM: 6 -0.364430055383E+03 0.40398E-04 -0.27036E-05 2703 0.160E-02 0.365E-02 RMM: 7 -0.364430056735E+03 -0.13529E-05 -0.15493E-05 2491 0.114E-02 1930 T= 6287. E= 0.69721688E+03 F= 0.64520632E+03 E0= 0.67592639E+03 EK= 0.52011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364450601703E+03 -0.20546E-01 -0.16016E-01 7896 0.235E+01 0.181E-01 RMM: 2 -0.364460575280E+03 -0.99736E-02 -0.57874E-02 5203 0.576E-01 0.914E-01 RMM: 3 -0.364455071813E+03 0.55035E-02 -0.58659E-03 5403 0.167E-01 0.178E-01 RMM: 4 -0.364454865215E+03 0.20660E-03 -0.50967E-04 4613 0.473E-02 0.761E-02 RMM: 5 -0.364454848631E+03 0.16584E-04 -0.79622E-05 3625 0.244E-02 1931 T= 6569. E= 0.69952128E+03 F= 0.64517628E+03 E0= 0.67588302E+03 EK= 0.54345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364465986520E+03 -0.11121E-01 -0.16662E-01 8232 0.240E+01 0.138E-01 RMM: 2 -0.364474370798E+03 -0.83843E-02 -0.64080E-02 5228 0.588E-01 0.668E-01 RMM: 3 -0.364471336570E+03 0.30342E-02 -0.53468E-03 5478 0.148E-01 0.147E-01 RMM: 4 -0.364471190024E+03 0.14655E-03 -0.37442E-04 4162 0.421E-02 0.892E-02 RMM: 5 -0.364471138982E+03 0.51042E-04 -0.53729E-05 3215 0.211E-02 0.701E-02 RMM: 6 -0.364471120738E+03 0.18244E-04 -0.22382E-05 2507 0.140E-02 1932 T= 6810. E= 0.70148650E+03 F= 0.64515169E+03 E0= 0.67584905E+03 EK= 0.56335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364418267011E+03 0.52872E-01 -0.17298E-01 7812 0.244E+01 0.279E-01 RMM: 2 -0.364443029272E+03 -0.24762E-01 -0.70684E-02 5094 0.647E-01 0.172E+00 RMM: 3 -0.364423346518E+03 0.19683E-01 -0.10504E-02 5335 0.248E-01 0.253E-01 RMM: 4 -0.364422924761E+03 0.42176E-03 -0.10663E-03 4695 0.645E-02 0.937E-02 RMM: 5 -0.364422904611E+03 0.20151E-04 -0.14516E-04 3865 0.331E-02 0.925E-02 RMM: 6 -0.364422853529E+03 0.51081E-04 -0.37253E-05 2986 0.180E-02 0.456E-02 RMM: 7 -0.364422854130E+03 -0.60018E-06 -0.19669E-05 2508 0.138E-02 1933 T= 6907. E= 0.70232880E+03 F= 0.64518871E+03 E0= 0.67588145E+03 EK= 0.57140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364259750320E+03 0.16310E+00 -0.17276E-01 7668 0.245E+01 0.308E-01 RMM: 2 -0.364286387970E+03 -0.26638E-01 -0.80253E-02 5122 0.689E-01 0.178E+00 RMM: 3 -0.364265532338E+03 0.20856E-01 -0.11778E-02 5342 0.262E-01 0.314E-01 RMM: 4 -0.364264912733E+03 0.61961E-03 -0.14156E-03 4694 0.788E-02 0.122E-01 RMM: 5 -0.364264923096E+03 -0.10364E-04 -0.22665E-04 3900 0.382E-02 0.138E-01 RMM: 6 -0.364264803524E+03 0.11957E-03 -0.76730E-05 3530 0.254E-02 0.441E-02 RMM: 7 -0.364264799777E+03 0.37475E-05 -0.19904E-05 2535 0.135E-02 1934 T= 6814. E= 0.70170595E+03 F= 0.64533255E+03 E0= 0.67602337E+03 EK= 0.56373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363978768240E+03 0.28604E+00 -0.16734E-01 7620 0.242E+01 0.231E-01 RMM: 2 -0.363995989637E+03 -0.17221E-01 -0.75255E-02 5056 0.643E-01 0.130E+00 RMM: 3 -0.363984625078E+03 0.11365E-01 -0.91139E-03 5358 0.218E-01 0.236E-01 RMM: 4 -0.363984276413E+03 0.34867E-03 -0.90226E-04 4680 0.610E-02 0.935E-02 RMM: 5 -0.363984260908E+03 0.15506E-04 -0.13882E-04 3849 0.309E-02 1935 T= 6569. E= 0.69994226E+03 F= 0.64559568E+03 E0= 0.67628445E+03 EK= 0.54347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363595949583E+03 0.38833E+00 -0.15994E-01 7680 0.238E+01 0.156E-01 RMM: 2 -0.363605097021E+03 -0.91474E-02 -0.67563E-02 5200 0.593E-01 0.721E-01 RMM: 3 -0.363601399851E+03 0.36972E-02 -0.57537E-03 5517 0.158E-01 0.154E-01 RMM: 4 -0.363601257634E+03 0.14222E-03 -0.39591E-04 4350 0.423E-02 0.878E-02 RMM: 5 -0.363601209373E+03 0.48260E-04 -0.57796E-05 3272 0.209E-02 0.753E-02 RMM: 6 -0.363601186469E+03 0.22905E-04 -0.32527E-05 2694 0.172E-02 0.584E-02 RMM: 7 -0.363601224584E+03 -0.38116E-04 -0.94479E-05 3882 0.232E-02 0.109E-01 RMM: 8 -0.363601152502E+03 0.72083E-04 -0.76325E-05 3844 0.203E-02 0.337E-02 RMM: 9 -0.363601146846E+03 0.56558E-05 -0.12350E-05 2472 0.101E-02 1936 T= 6271. E= 0.69783366E+03 F= 0.64595792E+03 E0= 0.67664323E+03 EK= 0.51876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363149764571E+03 0.45139E+00 -0.15699E-01 7716 0.233E+01 0.237E-01 RMM: 2 -0.363162019239E+03 -0.12255E-01 -0.79412E-02 4889 0.666E-01 0.985E-01 RMM: 3 -0.363155624672E+03 0.63946E-02 -0.87673E-03 5520 0.199E-01 0.167E-01 RMM: 4 -0.363155739631E+03 -0.11496E-03 -0.87913E-04 4621 0.669E-02 0.237E-01 RMM: 5 -0.363155455972E+03 0.28366E-03 -0.20503E-04 3893 0.367E-02 0.117E-01 RMM: 6 -0.363155370879E+03 0.85093E-04 -0.62019E-05 3379 0.232E-02 0.308E-02 RMM: 7 -0.363155376335E+03 -0.54557E-05 -0.18876E-05 2507 0.129E-02 1937 T= 6026. E= 0.69622737E+03 F= 0.64637913E+03 E0= 0.67705677E+03 EK= 0.49848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362685253693E+03 0.47012E+00 -0.15154E-01 7860 0.230E+01 0.144E-01 RMM: 2 -0.362693555643E+03 -0.83019E-02 -0.68606E-02 5254 0.590E-01 0.617E-01 RMM: 3 -0.362690723226E+03 0.28324E-02 -0.53848E-03 5594 0.149E-01 0.134E-01 RMM: 4 -0.362690628123E+03 0.95103E-04 -0.38546E-04 4237 0.434E-02 0.101E-01 RMM: 5 -0.362690565887E+03 0.62236E-04 -0.66039E-05 3411 0.223E-02 0.666E-02 RMM: 6 -0.362690543139E+03 0.22748E-04 -0.23434E-05 2550 0.147E-02 0.395E-02 RMM: 7 -0.362690548585E+03 -0.54456E-05 -0.30742E-05 2655 0.154E-02 1938 T= 5911. E= 0.69571854E+03 F= 0.64681573E+03 E0= 0.67747982E+03 EK= 0.48903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362235896668E+03 0.45465E+00 -0.15132E-01 7836 0.230E+01 0.183E-01 RMM: 2 -0.362246561016E+03 -0.10664E-01 -0.72911E-02 5091 0.615E-01 0.858E-01 RMM: 3 -0.362241612537E+03 0.49485E-02 -0.69126E-03 5561 0.173E-01 0.174E-01 RMM: 4 -0.362241438710E+03 0.17383E-03 -0.57789E-04 4635 0.524E-02 0.109E-01 RMM: 5 -0.362241397512E+03 0.41199E-04 -0.10314E-04 3702 0.258E-02 0.923E-02 RMM: 6 -0.362241346225E+03 0.51287E-04 -0.34942E-05 2996 0.181E-02 0.336E-02 RMM: 7 -0.362241349604E+03 -0.33788E-05 -0.14987E-05 2488 0.114E-02 1939 T= 5962. E= 0.69655859E+03 F= 0.64723335E+03 E0= 0.67787675E+03 EK= 0.49325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361824416567E+03 0.41693E+00 -0.15493E-01 7836 0.232E+01 0.192E-01 RMM: 2 -0.361836513725E+03 -0.12097E-01 -0.78457E-02 5208 0.630E-01 0.926E-01 RMM: 3 -0.361830532211E+03 0.59815E-02 -0.74417E-03 5540 0.180E-01 0.167E-01 RMM: 4 -0.361830358178E+03 0.17403E-03 -0.59188E-04 4663 0.514E-02 0.100E-01 RMM: 5 -0.361830306066E+03 0.52111E-04 -0.89154E-05 3670 0.238E-02 0.845E-02 RMM: 6 -0.361830263344E+03 0.42723E-04 -0.31142E-05 2849 0.168E-02 0.409E-02 RMM: 7 -0.361830264906E+03 -0.15624E-05 -0.22698E-05 2543 0.136E-02 1940 T= 6170. E= 0.69865315E+03 F= 0.64761003E+03 E0= 0.67822495E+03 EK= 0.51043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361467491554E+03 0.36277E+00 -0.15522E-01 7716 0.236E+01 0.204E-01 RMM: 2 -0.361480585071E+03 -0.13094E-01 -0.79166E-02 5230 0.638E-01 0.102E+00 RMM: 3 -0.361473723369E+03 0.68617E-02 -0.75087E-03 5561 0.183E-01 0.221E-01 RMM: 4 -0.361473389583E+03 0.33379E-03 -0.71076E-04 4628 0.578E-02 0.936E-02 RMM: 5 -0.361473364960E+03 0.24623E-04 -0.11773E-04 3823 0.272E-02 0.920E-02 RMM: 6 -0.361473312797E+03 0.52163E-04 -0.33938E-05 2956 0.177E-02 0.404E-02 RMM: 7 -0.361473320493E+03 -0.76957E-05 -0.22702E-05 2529 0.140E-02 1941 T= 6480. E= 0.70154051E+03 F= 0.64793031E+03 E0= 0.67850960E+03 EK= 0.53610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361184889760E+03 0.28842E+00 -0.15743E-01 7740 0.241E+01 0.240E-01 RMM: 2 -0.361201844680E+03 -0.16955E-01 -0.92250E-02 5201 0.697E-01 0.120E+00 RMM: 3 -0.361192045260E+03 0.97994E-02 -0.98584E-03 5470 0.216E-01 0.230E-01 RMM: 4 -0.361191710832E+03 0.33443E-03 -0.89117E-04 4658 0.619E-02 0.985E-02 RMM: 5 -0.361191675859E+03 0.34972E-04 -0.13261E-04 3877 0.289E-02 0.991E-02 RMM: 6 -0.361191616915E+03 0.58944E-04 -0.39165E-05 3030 0.183E-02 0.464E-02 RMM: 7 -0.361191623453E+03 -0.65378E-05 -0.26373E-05 2589 0.150E-02 1942 T= 6796. E= 0.70439399E+03 F= 0.64817347E+03 E0= 0.67871185E+03 EK= 0.56221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361010801889E+03 0.18082E+00 -0.15821E-01 7752 0.244E+01 0.243E-01 RMM: 2 -0.361028380803E+03 -0.17579E-01 -0.88562E-02 5299 0.680E-01 0.128E+00 RMM: 3 -0.361017594034E+03 0.10787E-01 -0.88109E-03 5438 0.209E-01 0.271E-01 RMM: 4 -0.361017102881E+03 0.49115E-03 -0.95488E-04 4640 0.657E-02 0.950E-02 RMM: 5 -0.361017079460E+03 0.23421E-04 -0.15019E-04 3885 0.308E-02 0.994E-02 RMM: 6 -0.361017018045E+03 0.61415E-04 -0.42230E-05 3086 0.193E-02 0.457E-02 RMM: 7 -0.361017026534E+03 -0.84888E-05 -0.26770E-05 2573 0.153E-02 1943 T= 7000. E= 0.70621313E+03 F= 0.64830769E+03 E0= 0.67880248E+03 EK= 0.57905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360985428418E+03 0.31590E-01 -0.16333E-01 7836 0.244E+01 0.266E-01 RMM: 2 -0.361004145770E+03 -0.18717E-01 -0.91039E-02 5225 0.703E-01 0.133E+00 RMM: 3 -0.360992302215E+03 0.11844E-01 -0.10299E-02 5412 0.231E-01 0.264E-01 RMM: 4 -0.360991864570E+03 0.43764E-03 -0.10088E-03 4645 0.659E-02 0.969E-02 RMM: 5 -0.360991854123E+03 0.10446E-04 -0.15679E-04 3884 0.319E-02 1944 T= 7008. E= 0.70626753E+03 F= 0.64829028E+03 E0= 0.67874349E+03 EK= 0.57977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361149637551E+03 -0.15777E+00 -0.16324E-01 8076 0.242E+01 0.159E-01 RMM: 2 -0.361161201845E+03 -0.11564E-01 -0.87736E-02 5441 0.629E-01 0.757E-01 RMM: 3 -0.361156545048E+03 0.46568E-02 -0.55314E-03 5395 0.163E-01 0.177E-01 RMM: 4 -0.361156369859E+03 0.17519E-03 -0.53945E-04 4526 0.478E-02 0.105E-01 RMM: 5 -0.361156306489E+03 0.63371E-04 -0.82188E-05 3663 0.229E-02 0.851E-02 RMM: 6 -0.361156276216E+03 0.30273E-04 -0.45833E-05 3103 0.196E-02 0.677E-02 RMM: 7 -0.361156304523E+03 -0.28308E-04 -0.14460E-04 3909 0.266E-02 0.109E-01 RMM: 8 -0.361156231351E+03 0.73172E-04 -0.52241E-05 3275 0.199E-02 0.296E-02 RMM: 9 -0.361156230679E+03 0.67196E-06 -0.13623E-05 2470 0.107E-02 1945 T= 6823. E= 0.70452274E+03 F= 0.64808049E+03 E0= 0.67849656E+03 EK= 0.56442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361528412950E+03 -0.37218E+00 -0.16329E-01 8376 0.237E+01 0.249E-01 RMM: 2 -0.361541830512E+03 -0.13418E-01 -0.93252E-02 5060 0.693E-01 0.972E-01 RMM: 3 -0.361535255879E+03 0.65746E-02 -0.89368E-03 5549 0.204E-01 0.187E-01 RMM: 4 -0.361535256017E+03 -0.13757E-06 -0.89858E-04 4645 0.668E-02 0.216E-01 RMM: 5 -0.361535004915E+03 0.25110E-03 -0.19138E-04 3883 0.362E-02 0.103E-01 RMM: 6 -0.361534941122E+03 0.63793E-04 -0.55081E-05 3307 0.222E-02 0.321E-02 RMM: 7 -0.361534959867E+03 -0.18745E-04 -0.23864E-05 2582 0.143E-02 1946 T= 6527. E= 0.70164718E+03 F= 0.64765276E+03 E0= 0.67803882E+03 EK= 0.53994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362120761606E+03 -0.58582E+00 -0.16306E-01 8724 0.232E+01 0.178E-01 RMM: 2 -0.362133421148E+03 -0.12660E-01 -0.92652E-02 5419 0.650E-01 0.842E-01 RMM: 3 -0.362127947250E+03 0.54739E-02 -0.63958E-03 5531 0.169E-01 0.167E-01 RMM: 4 -0.362127790993E+03 0.15626E-03 -0.58107E-04 4655 0.517E-02 0.106E-01 RMM: 5 -0.362127729570E+03 0.61423E-04 -0.89726E-05 3765 0.236E-02 0.788E-02 RMM: 6 -0.362127698507E+03 0.31062E-04 -0.27607E-05 2740 0.159E-02 0.490E-02 RMM: 7 -0.362127724010E+03 -0.25502E-04 -0.39664E-05 2987 0.167E-02 0.887E-02 RMM: 8 -0.362127679432E+03 0.44577E-04 -0.59123E-05 3515 0.202E-02 0.346E-02 RMM: 9 -0.362127673873E+03 0.55598E-05 -0.12427E-05 2464 0.102E-02 1947 T= 6236. E= 0.69859401E+03 F= 0.64700687E+03 E0= 0.67737175E+03 EK= 0.51587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362907596730E+03 -0.77992E+00 -0.16434E-01 8736 0.228E+01 0.179E-01 RMM: 2 -0.362920675618E+03 -0.13079E-01 -0.10080E-01 5219 0.674E-01 0.800E-01 RMM: 3 -0.362915572479E+03 0.51031E-02 -0.76689E-03 5674 0.174E-01 0.138E-01 RMM: 4 -0.362915519134E+03 0.53345E-04 -0.62826E-04 4629 0.569E-02 0.160E-01 RMM: 5 -0.362915371416E+03 0.14772E-03 -0.12353E-04 3843 0.288E-02 0.775E-02 RMM: 6 -0.362915336820E+03 0.34597E-04 -0.32438E-05 2915 0.173E-02 0.393E-02 RMM: 7 -0.362915345768E+03 -0.89477E-05 -0.23391E-05 2553 0.138E-02 1948 T= 6043. E= 0.69615625E+03 F= 0.64616156E+03 E0= 0.67651308E+03 EK= 0.49995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363856307551E+03 -0.94097E+00 -0.17033E-01 8772 0.227E+01 0.198E-01 RMM: 2 -0.363871449111E+03 -0.15142E-01 -0.10600E-01 5315 0.688E-01 0.943E-01 RMM: 3 -0.363864668650E+03 0.67805E-02 -0.82927E-03 5705 0.185E-01 0.188E-01 RMM: 4 -0.363864407944E+03 0.26071E-03 -0.66766E-04 4712 0.557E-02 0.102E-01 RMM: 5 -0.363864359633E+03 0.48311E-04 -0.95502E-05 3785 0.241E-02 0.795E-02 RMM: 6 -0.363864330467E+03 0.29166E-04 -0.25682E-05 2627 0.154E-02 0.488E-02 RMM: 7 -0.363864357113E+03 -0.26645E-04 -0.49294E-05 3214 0.184E-02 0.879E-02 RMM: 8 -0.363864312060E+03 0.45053E-04 -0.38364E-05 2910 0.182E-02 0.283E-02 RMM: 9 -0.363864309796E+03 0.22638E-05 -0.10697E-05 2453 0.899E-03 1949 T= 5999. E= 0.69477439E+03 F= 0.64515064E+03 E0= 0.67549559E+03 EK= 0.49624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364923807714E+03 -0.10595E+01 -0.18312E-01 8808 0.229E+01 0.200E-01 RMM: 2 -0.364939561837E+03 -0.15754E-01 -0.11886E-01 5192 0.725E-01 0.895E-01 RMM: 3 -0.364933343501E+03 0.62183E-02 -0.97100E-03 5849 0.188E-01 0.155E-01 RMM: 4 -0.364933194866E+03 0.14864E-03 -0.72726E-04 4673 0.614E-02 0.163E-01 RMM: 5 -0.364933049317E+03 0.14555E-03 -0.14744E-04 3867 0.313E-02 0.864E-02 RMM: 6 -0.364933007306E+03 0.42011E-04 -0.43235E-05 3108 0.196E-02 0.406E-02 RMM: 7 -0.364933021223E+03 -0.13917E-04 -0.24173E-05 2565 0.140E-02 1950 T= 6105. E= 0.69452307E+03 F= 0.64401610E+03 E0= 0.67435813E+03 EK= 0.50507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366062810343E+03 -0.11298E+01 -0.19800E-01 8856 0.233E+01 0.188E-01 RMM: 2 -0.366078300281E+03 -0.15490E-01 -0.11873E-01 5396 0.715E-01 0.871E-01 RMM: 3 -0.366072333614E+03 0.59667E-02 -0.88401E-03 5853 0.182E-01 0.182E-01 RMM: 4 -0.366072047722E+03 0.28589E-03 -0.62023E-04 4724 0.531E-02 0.995E-02 RMM: 5 -0.366071989082E+03 0.58640E-04 -0.97953E-05 3834 0.251E-02 0.746E-02 RMM: 6 -0.366071977855E+03 0.11226E-04 -0.33260E-05 2876 0.169E-02 1951 T= 6326. E= 0.69514126E+03 F= 0.64280805E+03 E0= 0.67314842E+03 EK= 0.52333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367214414457E+03 -0.11424E+01 -0.21909E-01 8796 0.237E+01 0.313E-01 RMM: 2 -0.367244718386E+03 -0.30304E-01 -0.14037E-01 5155 0.807E-01 0.168E+00 RMM: 3 -0.367225449840E+03 0.19269E-01 -0.15210E-02 5405 0.278E-01 0.329E-01 RMM: 4 -0.367224723066E+03 0.72677E-03 -0.15923E-03 4760 0.793E-02 0.109E-01 RMM: 5 -0.367224690167E+03 0.32899E-04 -0.21274E-04 3908 0.364E-02 0.109E-01 RMM: 6 -0.367224624097E+03 0.66069E-04 -0.66294E-05 3453 0.229E-02 0.593E-02 RMM: 7 -0.367224653255E+03 -0.29158E-04 -0.48543E-05 3147 0.200E-02 0.910E-02 RMM: 8 -0.367224609082E+03 0.44173E-04 -0.41571E-05 2890 0.180E-02 0.541E-02 RMM: 9 -0.367224594313E+03 0.14769E-04 -0.20846E-05 2522 0.132E-02 1952 T= 6586. E= 0.69606355E+03 F= 0.64158346E+03 E0= 0.67192099E+03 EK= 0.54480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368324421804E+03 -0.10998E+01 -0.22211E-01 8844 0.242E+01 0.356E-01 RMM: 2 -0.368361752417E+03 -0.37331E-01 -0.12977E-01 5377 0.791E-01 0.204E+00 RMM: 3 -0.368334074346E+03 0.27678E-01 -0.14638E-02 5374 0.282E-01 0.363E-01 RMM: 4 -0.368333223240E+03 0.85111E-03 -0.20480E-03 4735 0.949E-02 0.142E-01 RMM: 5 -0.368333240423E+03 -0.17183E-04 -0.30578E-04 3902 0.436E-02 0.159E-01 RMM: 6 -0.368333073899E+03 0.16652E-03 -0.99926E-05 3812 0.281E-02 0.400E-02 RMM: 7 -0.368333096131E+03 -0.22232E-04 -0.36919E-05 2965 0.172E-02 0.753E-02 RMM: 8 -0.368333064634E+03 0.31497E-04 -0.27546E-05 2586 0.170E-02 0.301E-02 RMM: 9 -0.368333061262E+03 0.33723E-05 -0.90147E-06 2451 0.865E-03 1953 T= 6787. E= 0.69654319E+03 F= 0.64040016E+03 E0= 0.67072975E+03 EK= 0.56143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369340359445E+03 -0.10073E+01 -0.22317E-01 8628 0.244E+01 0.216E-01 RMM: 2 -0.369359963407E+03 -0.19604E-01 -0.12393E-01 5412 0.736E-01 0.115E+00 RMM: 3 -0.369350185868E+03 0.97775E-02 -0.93956E-03 5456 0.206E-01 0.210E-01 RMM: 4 -0.369349914058E+03 0.27181E-03 -0.91304E-04 4769 0.614E-02 0.110E-01 RMM: 5 -0.369349844041E+03 0.70017E-04 -0.13205E-04 3882 0.291E-02 0.887E-02 RMM: 6 -0.369349804050E+03 0.39991E-04 -0.41508E-05 3047 0.187E-02 0.544E-02 RMM: 7 -0.369349822732E+03 -0.18682E-04 -0.59108E-05 3420 0.208E-02 1954 T= 6846. E= 0.69594379E+03 F= 0.63930519E+03 E0= 0.66962098E+03 EK= 0.56639E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370237129534E+03 -0.88733E+00 -0.21204E-01 8772 0.244E+01 0.193E-01 RMM: 2 -0.370250795375E+03 -0.13666E-01 -0.10761E-01 5440 0.697E-01 0.826E-01 RMM: 3 -0.370245542641E+03 0.52527E-02 -0.73953E-03 5797 0.174E-01 0.187E-01 RMM: 4 -0.370245291141E+03 0.25150E-03 -0.61495E-04 4684 0.541E-02 0.115E-01 RMM: 5 -0.370245225232E+03 0.65909E-04 -0.12115E-04 3876 0.285E-02 0.892E-02 RMM: 6 -0.370245189996E+03 0.35237E-04 -0.48948E-05 3209 0.200E-02 0.646E-02 RMM: 7 -0.370245227742E+03 -0.37746E-04 -0.72226E-05 3656 0.225E-02 0.105E-01 RMM: 8 -0.370245154765E+03 0.72977E-04 -0.39360E-05 3037 0.184E-02 0.325E-02 RMM: 9 -0.370245151973E+03 0.27915E-05 -0.13580E-05 2474 0.101E-02 1955 T= 6740. E= 0.69408442E+03 F= 0.63832735E+03 E0= 0.66862544E+03 EK= 0.55757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371007430166E+03 -0.76228E+00 -0.19774E-01 8844 0.241E+01 0.193E-01 RMM: 2 -0.371021310131E+03 -0.13880E-01 -0.10316E-01 5309 0.681E-01 0.870E-01 RMM: 3 -0.371015367919E+03 0.59422E-02 -0.74162E-03 5621 0.179E-01 0.143E-01 RMM: 4 -0.371015370996E+03 -0.30774E-05 -0.69587E-04 4674 0.589E-02 0.174E-01 RMM: 5 -0.371015187756E+03 0.18324E-03 -0.14202E-04 3872 0.307E-02 0.778E-02 RMM: 6 -0.371015155833E+03 0.31923E-04 -0.41001E-05 3072 0.192E-02 0.418E-02 RMM: 7 -0.371015170135E+03 -0.14302E-04 -0.26346E-05 2583 0.149E-02 1956 T= 6513. E= 0.69135229E+03 F= 0.63746946E+03 E0= 0.66774624E+03 EK= 0.53883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371667175397E+03 -0.65202E+00 -0.18348E-01 8496 0.237E+01 0.186E-01 RMM: 2 -0.371679227858E+03 -0.12052E-01 -0.95227E-02 5307 0.668E-01 0.771E-01 RMM: 3 -0.371674621589E+03 0.46063E-02 -0.71094E-03 5576 0.174E-01 0.170E-01 RMM: 4 -0.371674508444E+03 0.11315E-03 -0.65249E-04 4666 0.568E-02 0.146E-01 RMM: 5 -0.371674369493E+03 0.13895E-03 -0.12086E-04 3864 0.277E-02 0.729E-02 RMM: 6 -0.371674362333E+03 0.71600E-05 -0.43348E-05 3116 0.189E-02 1957 T= 6257. E= 0.68847505E+03 F= 0.63671619E+03 E0= 0.66697278E+03 EK= 0.51759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372236845717E+03 -0.56248E+00 -0.16969E-01 8148 0.233E+01 0.286E-01 RMM: 2 -0.372260713976E+03 -0.23868E-01 -0.86367E-02 5139 0.650E-01 0.161E+00 RMM: 3 -0.372243225830E+03 0.17488E-01 -0.11013E-02 5356 0.248E-01 0.267E-01 RMM: 4 -0.372242822879E+03 0.40295E-03 -0.12695E-03 4692 0.720E-02 0.125E-01 RMM: 5 -0.372242782572E+03 0.40307E-04 -0.17720E-04 3883 0.342E-02 0.122E-01 RMM: 6 -0.372242696896E+03 0.85676E-04 -0.62363E-05 3355 0.227E-02 0.500E-02 RMM: 7 -0.372242726960E+03 -0.30064E-04 -0.44146E-05 3105 0.190E-02 0.879E-02 RMM: 8 -0.372242682023E+03 0.44938E-04 -0.31012E-05 2704 0.171E-02 0.418E-02 RMM: 9 -0.372242672392E+03 0.96302E-05 -0.12626E-05 2470 0.106E-02 1958 T= 6058. E= 0.68616534E+03 F= 0.63604727E+03 E0= 0.66628626E+03 EK= 0.50118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372730685403E+03 -0.48800E+00 -0.15643E-01 7932 0.231E+01 0.316E-01 RMM: 2 -0.372757378852E+03 -0.26693E-01 -0.79703E-02 5085 0.654E-01 0.178E+00 RMM: 3 -0.372736333805E+03 0.21045E-01 -0.11561E-02 5344 0.258E-01 0.307E-01 RMM: 4 -0.372735758446E+03 0.57536E-03 -0.15446E-03 4700 0.830E-02 0.130E-01 RMM: 5 -0.372735765132E+03 -0.66861E-05 -0.22180E-04 3884 0.377E-02 0.147E-01 RMM: 6 -0.372735626971E+03 0.13816E-03 -0.77366E-05 3543 0.254E-02 0.383E-02 RMM: 7 -0.372735641018E+03 -0.14047E-04 -0.29960E-05 2744 0.160E-02 1959 T= 5977. E= 0.68489406E+03 F= 0.63544750E+03 E0= 0.66567315E+03 EK= 0.49447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373146163154E+03 -0.41054E+00 -0.14935E-01 8028 0.232E+01 0.212E-01 RMM: 2 -0.373160694285E+03 -0.14531E-01 -0.66145E-02 5175 0.579E-01 0.117E+00 RMM: 3 -0.373151213824E+03 0.94805E-02 -0.69297E-03 5385 0.187E-01 0.168E-01 RMM: 4 -0.373151102409E+03 0.11141E-03 -0.73347E-04 4674 0.563E-02 0.129E-01 RMM: 5 -0.373151039470E+03 0.62939E-04 -0.14021E-04 3879 0.316E-02 0.107E-01 RMM: 6 -0.373150978871E+03 0.60599E-04 -0.61375E-05 3381 0.222E-02 0.544E-02 RMM: 7 -0.373151009184E+03 -0.30313E-04 -0.53450E-05 3280 0.204E-02 0.935E-02 RMM: 8 -0.373150954918E+03 0.54266E-04 -0.31893E-05 2913 0.181E-02 0.253E-02 RMM: 9 -0.373150955094E+03 -0.17585E-06 -0.95492E-06 2454 0.841E-03 1960 T= 6033. E= 0.68482859E+03 F= 0.63492015E+03 E0= 0.66513727E+03 EK= 0.49908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373460764647E+03 -0.30981E+00 -0.14962E-01 8004 0.234E+01 0.187E-01 RMM: 2 -0.373471384048E+03 -0.10619E-01 -0.69676E-02 4985 0.616E-01 0.871E-01 RMM: 3 -0.373466277921E+03 0.51061E-02 -0.71295E-03 5503 0.176E-01 0.155E-01 RMM: 4 -0.373466165062E+03 0.11286E-03 -0.63494E-04 4608 0.575E-02 0.134E-01 RMM: 5 -0.373466074284E+03 0.90778E-04 -0.14940E-04 3873 0.333E-02 0.897E-02 RMM: 6 -0.373466032346E+03 0.41939E-04 -0.57173E-05 3315 0.217E-02 0.523E-02 RMM: 7 -0.373466052484E+03 -0.20138E-04 -0.37817E-05 2973 0.182E-02 0.810E-02 RMM: 8 -0.373466009560E+03 0.42924E-04 -0.22643E-05 2611 0.155E-02 0.180E-02 RMM: 9 -0.373466008724E+03 0.83532E-06 -0.57130E-06 2435 0.654E-03 1961 T= 6207. E= 0.68583672E+03 F= 0.63448908E+03 E0= 0.66470304E+03 EK= 0.51348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373634697770E+03 -0.16869E+00 -0.15665E-01 8124 0.238E+01 0.164E-01 RMM: 2 -0.373644003307E+03 -0.93055E-02 -0.72302E-02 5090 0.627E-01 0.706E-01 RMM: 3 -0.373640644743E+03 0.33586E-02 -0.69289E-03 5767 0.161E-01 0.150E-01 RMM: 4 -0.373640449924E+03 0.19482E-03 -0.44150E-04 4421 0.497E-02 0.107E-01 RMM: 5 -0.373640371039E+03 0.78885E-04 -0.12622E-04 3868 0.322E-02 0.704E-02 RMM: 6 -0.373640382326E+03 -0.11287E-04 -0.63684E-05 3426 0.221E-02 1962 T= 6444. E= 0.68750264E+03 F= 0.63419580E+03 E0= 0.66441139E+03 EK= 0.53307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373624013551E+03 0.16357E-01 -0.16143E-01 8232 0.242E+01 0.251E-01 RMM: 2 -0.373640871911E+03 -0.16858E-01 -0.73642E-02 5231 0.626E-01 0.131E+00 RMM: 3 -0.373629529466E+03 0.11342E-01 -0.85768E-03 5346 0.214E-01 0.228E-01 RMM: 4 -0.373629218438E+03 0.31103E-03 -0.89125E-04 4663 0.606E-02 0.113E-01 RMM: 5 -0.373629162099E+03 0.56339E-04 -0.17987E-04 3882 0.372E-02 0.109E-01 RMM: 6 -0.373629111977E+03 0.50122E-04 -0.10733E-04 3872 0.285E-02 0.793E-02 RMM: 7 -0.373629173866E+03 -0.61889E-04 -0.92761E-05 3758 0.261E-02 0.129E-01 RMM: 8 -0.373629067819E+03 0.10605E-03 -0.49883E-05 3274 0.211E-02 0.386E-02 RMM: 9 -0.373629062611E+03 0.52080E-05 -0.15494E-05 2500 0.111E-02 1963 T= 6661. E= 0.68918740E+03 F= 0.63408588E+03 E0= 0.66430651E+03 EK= 0.55102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373397262786E+03 0.23181E+00 -0.16680E-01 8028 0.245E+01 0.266E-01 RMM: 2 -0.373416503578E+03 -0.19241E-01 -0.81256E-02 5108 0.668E-01 0.141E+00 RMM: 3 -0.373403508703E+03 0.12995E-01 -0.97862E-03 5383 0.228E-01 0.273E-01 RMM: 4 -0.373403021442E+03 0.48726E-03 -0.12155E-03 4639 0.756E-02 0.128E-01 RMM: 5 -0.373402972521E+03 0.48921E-04 -0.22880E-04 3902 0.416E-02 0.116E-01 RMM: 6 -0.373402885793E+03 0.86728E-04 -0.79740E-05 3616 0.257E-02 0.486E-02 RMM: 7 -0.373402919765E+03 -0.33972E-04 -0.46193E-05 3128 0.192E-02 0.924E-02 RMM: 8 -0.373402865599E+03 0.54166E-04 -0.30130E-05 2719 0.180E-02 0.249E-02 RMM: 9 -0.373402862956E+03 0.26433E-05 -0.80520E-06 2444 0.809E-03 1964 T= 6774. E= 0.69022841E+03 F= 0.63418832E+03 E0= 0.66441622E+03 EK= 0.56040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372959369135E+03 0.44350E+00 -0.17190E-01 7896 0.245E+01 0.213E-01 RMM: 2 -0.372973616884E+03 -0.14248E-01 -0.87408E-02 5174 0.660E-01 0.103E+00 RMM: 3 -0.372966172512E+03 0.74444E-02 -0.83634E-03 5548 0.189E-01 0.186E-01 RMM: 4 -0.372965955252E+03 0.21726E-03 -0.74341E-04 4652 0.600E-02 0.131E-01 RMM: 5 -0.372965855392E+03 0.99861E-04 -0.17489E-04 3887 0.362E-02 0.960E-02 RMM: 6 -0.372965828742E+03 0.26650E-04 -0.80677E-05 3616 0.247E-02 0.804E-02 RMM: 7 -0.372965842160E+03 -0.13418E-04 -0.69477E-05 3573 0.224E-02 1965 T= 6739. E= 0.69024616E+03 F= 0.63449827E+03 E0= 0.66473388E+03 EK= 0.55748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372355610908E+03 0.61022E+00 -0.17227E-01 7836 0.243E+01 0.188E-01 RMM: 2 -0.372365805380E+03 -0.10194E-01 -0.88938E-02 4987 0.660E-01 0.630E-01 RMM: 3 -0.372362684530E+03 0.31209E-02 -0.81533E-03 5802 0.179E-01 0.159E-01 RMM: 4 -0.372362615806E+03 0.68724E-04 -0.63233E-04 4611 0.600E-02 0.183E-01 RMM: 5 -0.372362410416E+03 0.20539E-03 -0.18990E-04 3890 0.370E-02 0.868E-02 RMM: 6 -0.372362402168E+03 0.82483E-05 -0.85375E-05 3634 0.257E-02 1966 T= 6574. E= 0.68935181E+03 F= 0.63497026E+03 E0= 0.66521281E+03 EK= 0.54382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371664029023E+03 0.69838E+00 -0.17279E-01 7716 0.238E+01 0.354E-01 RMM: 2 -0.371694302102E+03 -0.30273E-01 -0.10135E-01 5003 0.739E-01 0.185E+00 RMM: 3 -0.371671352864E+03 0.22949E-01 -0.15411E-02 5370 0.294E-01 0.368E-01 RMM: 4 -0.371670485374E+03 0.86749E-03 -0.18131E-03 4921 0.899E-02 0.125E-01 RMM: 5 -0.371670523146E+03 -0.37772E-04 -0.29406E-04 3913 0.406E-02 0.165E-01 RMM: 6 -0.371670354722E+03 0.16842E-03 -0.11442E-04 3825 0.303E-02 0.654E-02 RMM: 7 -0.371670361733E+03 -0.70111E-05 -0.52896E-05 3265 0.199E-02 1967 T= 6351. E= 0.68806813E+03 F= 0.63552561E+03 E0= 0.66577259E+03 EK= 0.52543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370977941654E+03 0.69241E+00 -0.16466E-01 7656 0.234E+01 0.364E-01 RMM: 2 -0.371009082289E+03 -0.31141E-01 -0.98123E-02 5059 0.727E-01 0.189E+00 RMM: 3 -0.370985023063E+03 0.24059E-01 -0.14924E-02 5358 0.293E-01 0.398E-01 RMM: 4 -0.370984045125E+03 0.97794E-03 -0.21302E-03 5010 0.995E-02 0.163E-01 RMM: 5 -0.370984114838E+03 -0.69714E-04 -0.39190E-04 4092 0.470E-02 0.204E-01 RMM: 6 -0.370983844437E+03 0.27040E-03 -0.15382E-04 3879 0.350E-02 0.570E-02 RMM: 7 -0.370983839647E+03 0.47896E-05 -0.32205E-05 2877 0.161E-02 1968 T= 6161. E= 0.68703717E+03 F= 0.63606997E+03 E0= 0.66631968E+03 EK= 0.50967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370388933940E+03 0.59491E+00 -0.15959E-01 7920 0.231E+01 0.343E-01 RMM: 2 -0.370415722204E+03 -0.26788E-01 -0.88428E-02 5198 0.697E-01 0.178E+00 RMM: 3 -0.370395030155E+03 0.20692E-01 -0.12939E-02 5370 0.269E-01 0.300E-01 RMM: 4 -0.370394598511E+03 0.43164E-03 -0.15817E-03 4684 0.837E-02 0.184E-01 RMM: 5 -0.370394539027E+03 0.59484E-04 -0.31907E-04 3989 0.444E-02 0.177E-01 RMM: 6 -0.370394332968E+03 0.20606E-03 -0.14680E-04 3880 0.344E-02 0.491E-02 RMM: 7 -0.370394347906E+03 -0.14938E-04 -0.36296E-05 2912 0.173E-02 1969 T= 6073. E= 0.68675117E+03 F= 0.63651238E+03 E0= 0.66676491E+03 EK= 0.50239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369972778725E+03 0.42155E+00 -0.15437E-01 7668 0.230E+01 0.307E-01 RMM: 2 -0.369991834698E+03 -0.19056E-01 -0.81399E-02 5253 0.671E-01 0.143E+00 RMM: 3 -0.369978560177E+03 0.13275E-01 -0.10400E-02 5389 0.238E-01 0.294E-01 RMM: 4 -0.369978130260E+03 0.42992E-03 -0.12997E-03 4667 0.780E-02 0.170E-01 RMM: 5 -0.369978107208E+03 0.23052E-04 -0.30622E-04 3951 0.440E-02 0.178E-01 RMM: 6 -0.369977897091E+03 0.21012E-03 -0.14536E-04 3880 0.344E-02 0.467E-02 RMM: 7 -0.369977923143E+03 -0.26052E-04 -0.60428E-05 3387 0.217E-02 0.839E-02 RMM: 8 -0.369977878716E+03 0.44426E-04 -0.28884E-05 2792 0.170E-02 0.363E-02 RMM: 9 -0.369977871747E+03 0.69693E-05 -0.10094E-05 2462 0.907E-03 1970 T= 6122. E= 0.68742250E+03 F= 0.63677810E+03 E0= 0.66703423E+03 EK= 0.50644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369782837463E+03 0.19504E+00 -0.15360E-01 7836 0.231E+01 0.234E-01 RMM: 2 -0.369795781968E+03 -0.12945E-01 -0.73010E-02 5264 0.610E-01 0.105E+00 RMM: 3 -0.369788334437E+03 0.74475E-02 -0.70222E-03 5400 0.183E-01 0.172E-01 RMM: 4 -0.369788444108E+03 -0.10967E-03 -0.86486E-04 4629 0.649E-02 0.230E-01 RMM: 5 -0.369788135823E+03 0.30829E-03 -0.21045E-04 3884 0.370E-02 0.106E-01 RMM: 6 -0.369788069629E+03 0.66194E-04 -0.91847E-05 3722 0.274E-02 0.477E-02 RMM: 7 -0.369788096554E+03 -0.26926E-04 -0.39338E-05 3023 0.180E-02 0.863E-02 RMM: 8 -0.369788050171E+03 0.46383E-04 -0.24662E-05 2625 0.162E-02 0.277E-02 RMM: 9 -0.369788046067E+03 0.41046E-05 -0.74374E-06 2440 0.775E-03 1971 T= 6301. E= 0.68894430E+03 F= 0.63681491E+03 E0= 0.66707792E+03 EK= 0.52129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369846304657E+03 -0.58254E-01 -0.15407E-01 7812 0.234E+01 0.245E-01 RMM: 2 -0.369858090784E+03 -0.11786E-01 -0.71604E-02 5325 0.630E-01 0.100E+00 RMM: 3 -0.369851458736E+03 0.66320E-02 -0.73284E-03 5418 0.192E-01 0.180E-01 RMM: 4 -0.369851369801E+03 0.88934E-04 -0.74990E-04 4651 0.590E-02 0.160E-01 RMM: 5 -0.369851234312E+03 0.13549E-03 -0.17654E-04 3880 0.349E-02 0.113E-01 RMM: 6 -0.369851173369E+03 0.60943E-04 -0.84736E-05 3585 0.256E-02 0.624E-02 RMM: 7 -0.369851192049E+03 -0.18680E-04 -0.50840E-05 3230 0.207E-02 1972 T= 6561. E= 0.69087505E+03 F= 0.63659755E+03 E0= 0.66687237E+03 EK= 0.54277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370159270575E+03 -0.30810E+00 -0.15959E-01 7848 0.238E+01 0.194E-01 RMM: 2 -0.370168132551E+03 -0.88620E-02 -0.73205E-02 5348 0.625E-01 0.680E-01 RMM: 3 -0.370165056876E+03 0.30757E-02 -0.59368E-03 5722 0.151E-01 0.153E-01 RMM: 4 -0.370165005916E+03 0.50960E-04 -0.52179E-04 4614 0.549E-02 0.181E-01 RMM: 5 -0.370164785918E+03 0.22000E-03 -0.19143E-04 3883 0.369E-02 0.838E-02 RMM: 6 -0.370164824385E+03 -0.38467E-04 -0.12125E-04 3877 0.292E-02 0.120E-01 RMM: 7 -0.370164770589E+03 0.53795E-04 -0.65877E-05 3485 0.234E-02 0.856E-02 RMM: 8 -0.370164723847E+03 0.46742E-04 -0.24760E-05 2742 0.155E-02 0.289E-02 RMM: 9 -0.370164722891E+03 0.95630E-06 -0.11055E-05 2453 0.922E-03 1973 T= 6812. E= 0.69248425E+03 F= 0.63612878E+03 E0= 0.66641966E+03 EK= 0.56355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370695214031E+03 -0.53049E+00 -0.16738E-01 7944 0.240E+01 0.211E-01 RMM: 2 -0.370706414159E+03 -0.11200E-01 -0.83683E-02 5302 0.674E-01 0.848E-01 RMM: 3 -0.370701730053E+03 0.46841E-02 -0.74019E-03 5640 0.175E-01 0.154E-01 RMM: 4 -0.370701625109E+03 0.10494E-03 -0.62505E-04 4637 0.575E-02 0.161E-01 RMM: 5 -0.370701479581E+03 0.14553E-03 -0.18346E-04 3880 0.373E-02 0.101E-01 RMM: 6 -0.370701438973E+03 0.40608E-04 -0.98429E-05 3742 0.277E-02 0.683E-02 RMM: 7 -0.370701447754E+03 -0.87818E-05 -0.44069E-05 3140 0.195E-02 1974 T= 6955. E= 0.69296902E+03 F= 0.63543483E+03 E0= 0.66574576E+03 EK= 0.57534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371412314512E+03 -0.71088E+00 -0.17214E-01 8136 0.240E+01 0.226E-01 RMM: 2 -0.371423960057E+03 -0.11646E-01 -0.84291E-02 5385 0.669E-01 0.875E-01 RMM: 3 -0.371418843785E+03 0.51163E-02 -0.70463E-03 5678 0.172E-01 0.197E-01 RMM: 4 -0.371418636123E+03 0.20766E-03 -0.69696E-04 4635 0.614E-02 0.160E-01 RMM: 5 -0.371418449921E+03 0.18620E-03 -0.24608E-04 3893 0.429E-02 0.932E-02 RMM: 6 -0.371418500019E+03 -0.50098E-04 -0.12617E-04 3878 0.301E-02 0.133E-01 RMM: 7 -0.371418443701E+03 0.56317E-04 -0.85505E-05 3718 0.257E-02 0.102E-01 RMM: 8 -0.371418376878E+03 0.66823E-04 -0.41595E-05 3146 0.195E-02 0.303E-02 RMM: 9 -0.371418377228E+03 -0.34970E-06 -0.12389E-05 2473 0.980E-03 1975 T= 6925. E= 0.69184148E+03 F= 0.63455675E+03 E0= 0.66489082E+03 EK= 0.57285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372261652641E+03 -0.84328E+00 -0.17597E-01 8256 0.237E+01 0.196E-01 RMM: 2 -0.372272866621E+03 -0.11214E-01 -0.87791E-02 5295 0.662E-01 0.772E-01 RMM: 3 -0.372268608157E+03 0.42585E-02 -0.72099E-03 5664 0.169E-01 0.145E-01 RMM: 4 -0.372268600720E+03 0.74371E-05 -0.62755E-04 4616 0.578E-02 0.190E-01 RMM: 5 -0.372268365971E+03 0.23475E-03 -0.19362E-04 3884 0.381E-02 0.764E-02 RMM: 6 -0.372268372575E+03 -0.66049E-05 -0.88510E-05 3658 0.257E-02 1976 T= 6732. E= 0.68923329E+03 F= 0.63353930E+03 E0= 0.66389587E+03 EK= 0.55694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373203223737E+03 -0.93486E+00 -0.17259E-01 8184 0.233E+01 0.311E-01 RMM: 2 -0.373228124747E+03 -0.24901E-01 -0.82488E-02 5345 0.637E-01 0.168E+00 RMM: 3 -0.373209035145E+03 0.19090E-01 -0.10141E-02 5355 0.235E-01 0.240E-01 RMM: 4 -0.373208881742E+03 0.15340E-03 -0.13710E-03 4660 0.804E-02 0.214E-01 RMM: 5 -0.373208742190E+03 0.13955E-03 -0.35203E-04 4171 0.485E-02 0.188E-01 RMM: 6 -0.373208539533E+03 0.20266E-03 -0.18212E-04 3880 0.367E-02 0.787E-02 RMM: 7 -0.373208622134E+03 -0.82601E-04 -0.13058E-04 3879 0.307E-02 0.141E-01 RMM: 8 -0.373208494292E+03 0.12784E-03 -0.63205E-05 3424 0.240E-02 0.354E-02 RMM: 9 -0.373208490325E+03 0.39668E-05 -0.12065E-05 2493 0.986E-03 1977 T= 6455. E= 0.68582694E+03 F= 0.63242318E+03 E0= 0.66280098E+03 EK= 0.53404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374201397456E+03 -0.99290E+00 -0.16454E-01 7824 0.228E+01 0.290E-01 RMM: 2 -0.374223848798E+03 -0.22451E-01 -0.81511E-02 5168 0.647E-01 0.158E+00 RMM: 3 -0.374207237491E+03 0.16611E-01 -0.10096E-02 5372 0.235E-01 0.282E-01 RMM: 4 -0.374206797406E+03 0.44009E-03 -0.13491E-03 4677 0.809E-02 0.154E-01 RMM: 5 -0.374206791273E+03 0.61323E-05 -0.27668E-04 4007 0.447E-02 0.170E-01 RMM: 6 -0.374206604560E+03 0.18671E-03 -0.10578E-04 3824 0.292E-02 0.444E-02 RMM: 7 -0.374206652481E+03 -0.47921E-04 -0.65004E-05 3429 0.216E-02 0.101E-01 RMM: 8 -0.374206587707E+03 0.64774E-04 -0.34015E-05 2969 0.192E-02 0.248E-02 RMM: 9 -0.374206584780E+03 0.29268E-05 -0.69682E-06 2447 0.741E-03 1978 T= 6194. E= 0.68248191E+03 F= 0.63123909E+03 E0= 0.66163439E+03 EK= 0.51243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375232379438E+03 -0.10258E+01 -0.15997E-01 7860 0.224E+01 0.255E-01 RMM: 2 -0.375246322162E+03 -0.13943E-01 -0.72304E-02 5288 0.586E-01 0.113E+00 RMM: 3 -0.375237423124E+03 0.88990E-02 -0.66462E-03 5392 0.181E-01 0.190E-01 RMM: 4 -0.375237484765E+03 -0.61642E-04 -0.10254E-03 4632 0.733E-02 0.235E-01 RMM: 5 -0.375237191365E+03 0.29340E-03 -0.30059E-04 3959 0.455E-02 0.136E-01 RMM: 6 -0.375237098607E+03 0.92758E-04 -0.11866E-04 3875 0.303E-02 0.725E-02 RMM: 7 -0.375237143679E+03 -0.45072E-04 -0.73135E-05 3559 0.232E-02 0.114E-01 RMM: 8 -0.375237058914E+03 0.84765E-04 -0.40466E-05 3102 0.202E-02 0.292E-02 RMM: 9 -0.375237055736E+03 0.31780E-05 -0.91540E-06 2462 0.848E-03 1979 T= 6029. E= 0.67988462E+03 F= 0.63001244E+03 E0= 0.66042109E+03 EK= 0.49872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376267958979E+03 -0.10309E+01 -0.15279E-01 7872 0.223E+01 0.222E-01 RMM: 2 -0.376277263642E+03 -0.93047E-02 -0.65456E-02 5289 0.554E-01 0.803E-01 RMM: 3 -0.376272539801E+03 0.47238E-02 -0.51934E-03 5494 0.157E-01 0.175E-01 RMM: 4 -0.376272637553E+03 -0.97752E-04 -0.78782E-04 4630 0.659E-02 0.233E-01 RMM: 5 -0.376272329407E+03 0.30815E-03 -0.28538E-04 3953 0.458E-02 0.114E-01 RMM: 6 -0.376272271699E+03 0.57708E-04 -0.88320E-05 3682 0.264E-02 0.701E-02 RMM: 7 -0.376272292998E+03 -0.21298E-04 -0.52413E-05 3287 0.206E-02 0.956E-02 RMM: 8 -0.376272233358E+03 0.59640E-04 -0.28068E-05 2877 0.174E-02 0.206E-02 RMM: 9 -0.376272233440E+03 -0.82548E-07 -0.80119E-06 2444 0.785E-03 1980 T= 5999. E= 0.67839945E+03 F= 0.62877197E+03 E0= 0.65918919E+03 EK= 0.49627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377271492541E+03 -0.99926E+00 -0.15350E-01 7968 0.224E+01 0.207E-01 RMM: 2 -0.377279788132E+03 -0.82956E-02 -0.62155E-02 5321 0.545E-01 0.729E-01 RMM: 3 -0.377275906785E+03 0.38813E-02 -0.46974E-03 5516 0.147E-01 0.165E-01 RMM: 4 -0.377275978663E+03 -0.71878E-04 -0.71518E-04 4637 0.635E-02 0.216E-01 RMM: 5 -0.377275691741E+03 0.28692E-03 -0.29174E-04 3941 0.465E-02 0.977E-02 RMM: 6 -0.377275682871E+03 0.88693E-05 -0.10052E-04 3811 0.275E-02 1981 T= 6106. E= 0.67806547E+03 F= 0.62755601E+03 E0= 0.65797758E+03 EK= 0.50509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378193871902E+03 -0.91818E+00 -0.15692E-01 8064 0.228E+01 0.339E-01 RMM: 2 -0.378216829023E+03 -0.22957E-01 -0.68762E-02 5313 0.602E-01 0.168E+00 RMM: 3 -0.378198354967E+03 0.18474E-01 -0.10627E-02 5351 0.249E-01 0.317E-01 RMM: 4 -0.378197801894E+03 0.55307E-03 -0.13208E-03 4639 0.770E-02 0.166E-01 RMM: 5 -0.378197821875E+03 -0.19981E-04 -0.52192E-04 4591 0.616E-02 0.211E-01 RMM: 6 -0.378197586665E+03 0.23521E-03 -0.29057E-04 3938 0.459E-02 0.996E-02 RMM: 7 -0.378197662008E+03 -0.75343E-04 -0.13803E-04 3875 0.325E-02 0.150E-01 RMM: 8 -0.378197523943E+03 0.13806E-03 -0.76373E-05 3613 0.262E-02 0.469E-02 RMM: 9 -0.378197514280E+03 0.96630E-05 -0.14490E-05 2519 0.112E-02 1982 T= 6311. E= 0.67862273E+03 F= 0.62641648E+03 E0= 0.65683423E+03 EK= 0.52206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378969881329E+03 -0.77236E+00 -0.15487E-01 7908 0.232E+01 0.294E-01 RMM: 2 -0.378989783902E+03 -0.19903E-01 -0.70645E-02 5216 0.606E-01 0.149E+00 RMM: 3 -0.378974964775E+03 0.14819E-01 -0.94157E-03 5355 0.232E-01 0.326E-01 RMM: 4 -0.378974287572E+03 0.67720E-03 -0.12812E-03 4658 0.773E-02 0.131E-01 RMM: 5 -0.378974327835E+03 -0.40263E-04 -0.36955E-04 4478 0.536E-02 0.175E-01 RMM: 6 -0.378974145254E+03 0.18258E-03 -0.13928E-04 3866 0.314E-02 0.597E-02 RMM: 7 -0.378974196394E+03 -0.51140E-04 -0.74410E-05 3501 0.232E-02 0.110E-01 RMM: 8 -0.378974119959E+03 0.76435E-04 -0.37786E-05 3108 0.197E-02 0.245E-02 RMM: 9 -0.378974116971E+03 0.29877E-05 -0.60592E-06 2445 0.700E-03 1983 T= 6543. E= 0.67954851E+03 F= 0.62541831E+03 E0= 0.65582690E+03 EK= 0.54130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379531266278E+03 -0.55715E+00 -0.15700E-01 7728 0.237E+01 0.264E-01 RMM: 2 -0.379547535402E+03 -0.16269E-01 -0.68998E-02 5306 0.611E-01 0.130E+00 RMM: 3 -0.379536060616E+03 0.11475E-01 -0.69924E-03 5376 0.192E-01 0.223E-01 RMM: 4 -0.379535836456E+03 0.22416E-03 -0.92582E-04 4633 0.679E-02 0.168E-01 RMM: 5 -0.379535707573E+03 0.12888E-03 -0.49650E-04 4578 0.633E-02 0.143E-01 RMM: 6 -0.379535662808E+03 0.44765E-04 -0.18396E-04 3880 0.353E-02 0.119E-01 RMM: 7 -0.379535645057E+03 0.17750E-04 -0.10065E-04 3830 0.300E-02 1984 T= 6715. E= 0.68018188E+03 F= 0.62463146E+03 E0= 0.65502423E+03 EK= 0.55550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379819838301E+03 -0.28418E+00 -0.15916E-01 7812 0.239E+01 0.239E-01 RMM: 2 -0.379827703288E+03 -0.78650E-02 -0.67739E-02 5296 0.587E-01 0.650E-01 RMM: 3 -0.379824622869E+03 0.30804E-02 -0.52941E-03 5511 0.154E-01 0.191E-01 RMM: 4 -0.379824784874E+03 -0.16200E-03 -0.80169E-04 4637 0.695E-02 0.275E-01 RMM: 5 -0.379824333060E+03 0.45181E-03 -0.50425E-04 4562 0.613E-02 0.125E-01 RMM: 6 -0.379824360765E+03 -0.27705E-04 -0.22691E-04 3890 0.382E-02 0.147E-01 RMM: 7 -0.379824271393E+03 0.89372E-04 -0.10768E-04 3764 0.321E-02 0.919E-02 RMM: 8 -0.379824220473E+03 0.50920E-04 -0.26210E-05 2874 0.156E-02 0.326E-02 RMM: 9 -0.379824225645E+03 -0.51720E-05 -0.15851E-05 2511 0.112E-02 1985 T= 6754. E= 0.67998887E+03 F= 0.62411271E+03 E0= 0.65448409E+03 EK= 0.55876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379808526151E+03 0.15694E-01 -0.15817E-01 7836 0.238E+01 0.210E-01 RMM: 2 -0.379818242301E+03 -0.97161E-02 -0.70276E-02 5107 0.605E-01 0.797E-01 RMM: 3 -0.379813711396E+03 0.45309E-02 -0.61664E-03 5562 0.166E-01 0.154E-01 RMM: 4 -0.379813789182E+03 -0.77785E-04 -0.70251E-04 4631 0.634E-02 0.217E-01 RMM: 5 -0.379813535280E+03 0.25390E-03 -0.29817E-04 4180 0.483E-02 0.112E-01 RMM: 6 -0.379813483008E+03 0.52273E-04 -0.11726E-04 3806 0.295E-02 0.715E-02 RMM: 7 -0.379813495879E+03 -0.12872E-04 -0.40734E-05 3116 0.196E-02 1986 T= 6644. E= 0.67884833E+03 F= 0.62388651E+03 E0= 0.65423231E+03 EK= 0.54962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379513612165E+03 0.29987E+00 -0.15591E-01 7632 0.236E+01 0.279E-01 RMM: 2 -0.379520350228E+03 -0.67381E-02 -0.67062E-02 5233 0.585E-01 0.571E-01 RMM: 3 -0.379518000788E+03 0.23494E-02 -0.56169E-03 5552 0.159E-01 0.220E-01 RMM: 4 -0.379518579318E+03 -0.57853E-03 -0.10193E-03 4622 0.793E-02 0.394E-01 RMM: 5 -0.379517589859E+03 0.98946E-03 -0.54998E-04 4553 0.620E-02 0.102E-01 RMM: 6 -0.379517626594E+03 -0.36735E-04 -0.17587E-04 3881 0.334E-02 0.134E-01 RMM: 7 -0.379517534398E+03 0.92196E-04 -0.79694E-05 3603 0.274E-02 0.708E-02 RMM: 8 -0.379517505203E+03 0.29196E-04 -0.19348E-05 2584 0.135E-02 0.285E-02 RMM: 9 -0.379517512712E+03 -0.75089E-05 -0.13384E-05 2492 0.102E-02 1987 T= 6430. E= 0.67712789E+03 F= 0.62393693E+03 E0= 0.65425494E+03 EK= 0.53191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378980240009E+03 0.53727E+00 -0.15053E-01 7740 0.232E+01 0.235E-01 RMM: 2 -0.378987522162E+03 -0.72822E-02 -0.68489E-02 5027 0.597E-01 0.582E-01 RMM: 3 -0.378985087055E+03 0.24351E-02 -0.62984E-03 5749 0.160E-01 0.176E-01 RMM: 4 -0.378985432731E+03 -0.34568E-03 -0.87349E-04 4625 0.734E-02 0.316E-01 RMM: 5 -0.378984827063E+03 0.60567E-03 -0.38117E-04 4301 0.522E-02 0.104E-01 RMM: 6 -0.378984775624E+03 0.51439E-04 -0.90604E-05 3622 0.261E-02 0.620E-02 RMM: 7 -0.378984781682E+03 -0.60578E-05 -0.32747E-05 2920 0.177E-02 1988 T= 6196. E= 0.67547529E+03 F= 0.62421448E+03 E0= 0.65450456E+03 EK= 0.51261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378275402304E+03 0.70937E+00 -0.14484E-01 7704 0.229E+01 0.301E-01 RMM: 2 -0.378281647956E+03 -0.62457E-02 -0.64067E-02 5204 0.579E-01 0.574E-01 RMM: 3 -0.378279496186E+03 0.21518E-02 -0.58801E-03 5494 0.163E-01 0.258E-01 RMM: 4 -0.378280190566E+03 -0.69438E-03 -0.11162E-03 4624 0.817E-02 0.432E-01 RMM: 5 -0.378278963335E+03 0.12272E-02 -0.56962E-04 4555 0.619E-02 0.899E-02 RMM: 6 -0.378278995124E+03 -0.31790E-04 -0.14486E-04 3875 0.307E-02 0.121E-01 RMM: 7 -0.378278926925E+03 0.68199E-04 -0.61367E-05 3446 0.232E-02 0.777E-02 RMM: 8 -0.378278890072E+03 0.36853E-04 -0.20984E-05 2599 0.140E-02 0.263E-02 RMM: 9 -0.378278898044E+03 -0.79722E-05 -0.13596E-05 2492 0.100E-02 1989 T= 6027. E= 0.67451563E+03 F= 0.62465611E+03 E0= 0.65491992E+03 EK= 0.49860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377459170987E+03 0.81972E+00 -0.14204E-01 7836 0.227E+01 0.246E-01 RMM: 2 -0.377465995484E+03 -0.68245E-02 -0.66465E-02 4976 0.585E-01 0.553E-01 RMM: 3 -0.377463875941E+03 0.21195E-02 -0.62676E-03 5599 0.161E-01 0.197E-01 RMM: 4 -0.377464369586E+03 -0.49364E-03 -0.93827E-04 4627 0.760E-02 0.357E-01 RMM: 5 -0.377463569944E+03 0.79964E-03 -0.42629E-04 4420 0.547E-02 0.875E-02 RMM: 6 -0.377463541679E+03 0.28264E-04 -0.89567E-05 3621 0.254E-02 0.653E-02 RMM: 7 -0.377463536169E+03 0.55103E-05 -0.29902E-05 2825 0.173E-02 1990 T= 5978. E= 0.67465282E+03 F= 0.62520027E+03 E0= 0.65543997E+03 EK= 0.49453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376585879897E+03 0.87766E+00 -0.14090E-01 7872 0.228E+01 0.285E-01 RMM: 2 -0.376591804794E+03 -0.59249E-02 -0.61970E-02 5142 0.570E-01 0.530E-01 RMM: 3 -0.376589966454E+03 0.18383E-02 -0.58426E-03 5500 0.158E-01 0.231E-01 RMM: 4 -0.376590586768E+03 -0.62031E-03 -0.10241E-03 4606 0.785E-02 0.406E-01 RMM: 5 -0.376589496972E+03 0.10898E-02 -0.55751E-04 4535 0.617E-02 0.796E-02 RMM: 6 -0.376589558317E+03 -0.61345E-04 -0.14662E-04 3869 0.312E-02 0.132E-01 RMM: 7 -0.376589473083E+03 0.85234E-04 -0.63804E-05 3499 0.243E-02 0.759E-02 RMM: 8 -0.376589436763E+03 0.36320E-04 -0.20861E-05 2601 0.140E-02 0.275E-02 RMM: 9 -0.376589443421E+03 -0.66574E-05 -0.14456E-05 2493 0.106E-02 1991 T= 6069. E= 0.67600549E+03 F= 0.62579944E+03 E0= 0.65601810E+03 EK= 0.50206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375684584600E+03 0.90485E+00 -0.14432E-01 7932 0.231E+01 0.228E-01 RMM: 2 -0.375691546858E+03 -0.69623E-02 -0.64420E-02 4963 0.593E-01 0.578E-01 RMM: 3 -0.375689327633E+03 0.22192E-02 -0.63722E-03 5616 0.159E-01 0.175E-01 RMM: 4 -0.375689617667E+03 -0.29003E-03 -0.89417E-04 4621 0.754E-02 0.302E-01 RMM: 5 -0.375689071307E+03 0.54636E-03 -0.43681E-04 4451 0.568E-02 0.105E-01 RMM: 6 -0.375689032338E+03 0.38969E-04 -0.11481E-04 3817 0.287E-02 0.775E-02 RMM: 7 -0.375689026922E+03 0.54156E-05 -0.42672E-05 3156 0.206E-02 1992 T= 6281. E= 0.67838687E+03 F= 0.62642452E+03 E0= 0.65662394E+03 EK= 0.51962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374774869555E+03 0.91416E+00 -0.14912E-01 7956 0.236E+01 0.271E-01 RMM: 2 -0.374781365512E+03 -0.64960E-02 -0.63571E-02 5154 0.587E-01 0.566E-01 RMM: 3 -0.374779211169E+03 0.21543E-02 -0.56937E-03 5491 0.156E-01 0.208E-01 RMM: 4 -0.374779672083E+03 -0.46091E-03 -0.10773E-03 4642 0.826E-02 0.362E-01 RMM: 5 -0.374778822313E+03 0.84977E-03 -0.61817E-04 4564 0.665E-02 0.963E-02 RMM: 6 -0.374778901459E+03 -0.79146E-04 -0.17935E-04 3888 0.345E-02 0.153E-01 RMM: 7 -0.374778782053E+03 0.11941E-03 -0.96495E-05 3780 0.306E-02 0.804E-02 RMM: 8 -0.374778742988E+03 0.39065E-04 -0.24218E-05 2770 0.152E-02 0.329E-02 RMM: 9 -0.374778748824E+03 -0.58360E-05 -0.15898E-05 2513 0.112E-02 1993 T= 6555. E= 0.68128969E+03 F= 0.62706129E+03 E0= 0.65724386E+03 EK= 0.54228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373862747704E+03 0.91600E+00 -0.15375E-01 7980 0.241E+01 0.226E-01 RMM: 2 -0.373871911117E+03 -0.91634E-02 -0.67349E-02 5077 0.620E-01 0.781E-01 RMM: 3 -0.373867796837E+03 0.41143E-02 -0.64773E-03 5525 0.165E-01 0.166E-01 RMM: 4 -0.373867877880E+03 -0.81043E-04 -0.84378E-04 4622 0.729E-02 0.235E-01 RMM: 5 -0.373867578995E+03 0.29888E-03 -0.42466E-04 4490 0.574E-02 0.122E-01 RMM: 6 -0.373867534749E+03 0.44245E-04 -0.14180E-04 3858 0.315E-02 0.937E-02 RMM: 7 -0.373867529310E+03 0.54396E-05 -0.59516E-05 3467 0.237E-02 1994 T= 6799. E= 0.68394328E+03 F= 0.62770132E+03 E0= 0.65786666E+03 EK= 0.56242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372964564287E+03 0.90297E+00 -0.16037E-01 7716 0.244E+01 0.283E-01 RMM: 2 -0.372972640444E+03 -0.80762E-02 -0.71886E-02 5168 0.637E-01 0.686E-01 RMM: 3 -0.372969576022E+03 0.30644E-02 -0.66160E-03 5530 0.165E-01 0.201E-01 RMM: 4 -0.372969959010E+03 -0.38299E-03 -0.12494E-03 4675 0.903E-02 0.352E-01 RMM: 5 -0.372969177428E+03 0.78158E-03 -0.72214E-04 4583 0.728E-02 0.109E-01 RMM: 6 -0.372969276643E+03 -0.99215E-04 -0.19751E-04 3886 0.359E-02 0.169E-01 RMM: 7 -0.372969112151E+03 0.16449E-03 -0.10925E-04 3838 0.327E-02 0.747E-02 RMM: 8 -0.372969079715E+03 0.32436E-04 -0.27701E-05 2920 0.160E-02 0.353E-02 RMM: 9 -0.372969086156E+03 -0.64407E-05 -0.18052E-05 2522 0.122E-02 1995 T= 6917. E= 0.68555398E+03 F= 0.62832942E+03 E0= 0.65847897E+03 EK= 0.57225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372108407118E+03 0.86067E+00 -0.15990E-01 7692 0.244E+01 0.249E-01 RMM: 2 -0.372118796292E+03 -0.10389E-01 -0.75955E-02 5026 0.668E-01 0.843E-01 RMM: 3 -0.372114080295E+03 0.47160E-02 -0.78422E-03 5555 0.180E-01 0.175E-01 RMM: 4 -0.372114217364E+03 -0.13707E-03 -0.99616E-04 4654 0.794E-02 0.264E-01 RMM: 5 -0.372113840368E+03 0.37700E-03 -0.44621E-04 4519 0.584E-02 0.131E-01 RMM: 6 -0.372113769998E+03 0.70370E-04 -0.13900E-04 3845 0.311E-02 0.843E-02 RMM: 7 -0.372113785303E+03 -0.15305E-04 -0.56856E-05 3408 0.227E-02 1996 T= 6863. E= 0.68568882E+03 F= 0.62891236E+03 E0= 0.65904475E+03 EK= 0.56776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371344791734E+03 0.76898E+00 -0.15469E-01 7548 0.241E+01 0.319E-01 RMM: 2 -0.371353232282E+03 -0.84405E-02 -0.72906E-02 5160 0.647E-01 0.763E-01 RMM: 3 -0.371349526379E+03 0.37059E-02 -0.68374E-03 5482 0.172E-01 0.229E-01 RMM: 4 -0.371350220887E+03 -0.69451E-03 -0.15416E-03 4747 0.994E-02 0.425E-01 RMM: 5 -0.371349076352E+03 0.11445E-02 -0.73668E-04 4599 0.720E-02 0.115E-01 RMM: 6 -0.371349098315E+03 -0.21963E-04 -0.17034E-04 3878 0.331E-02 0.135E-01 RMM: 7 -0.371349028017E+03 0.70298E-04 -0.91212E-05 3789 0.285E-02 0.988E-02 RMM: 8 -0.371348966115E+03 0.61902E-04 -0.38822E-05 3121 0.188E-02 0.327E-02 RMM: 9 -0.371348973154E+03 -0.70391E-05 -0.15240E-05 2508 0.108E-02 1997 T= 6663. E= 0.68452368E+03 F= 0.62939951E+03 E0= 0.65951680E+03 EK= 0.55124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370722427881E+03 0.62654E+00 -0.15062E-01 7716 0.237E+01 0.283E-01 RMM: 2 -0.370732402893E+03 -0.99750E-02 -0.71568E-02 5012 0.654E-01 0.872E-01 RMM: 3 -0.370727397720E+03 0.50052E-02 -0.77176E-03 5436 0.188E-01 0.198E-01 RMM: 4 -0.370727839359E+03 -0.44164E-03 -0.12710E-03 4750 0.875E-02 0.343E-01 RMM: 5 -0.370727165778E+03 0.67358E-03 -0.49912E-04 4576 0.600E-02 0.144E-01 RMM: 6 -0.370727041676E+03 0.12410E-03 -0.13664E-04 3870 0.306E-02 0.571E-02 RMM: 7 -0.370727082189E+03 -0.40513E-04 -0.50722E-05 3299 0.208E-02 0.102E-01 RMM: 8 -0.370727015877E+03 0.66312E-04 -0.24852E-05 2787 0.164E-02 0.255E-02 RMM: 9 -0.370727013175E+03 0.27017E-05 -0.62236E-06 2449 0.703E-03 1998 T= 6404. E= 0.68271722E+03 F= 0.62973594E+03 E0= 0.65983995E+03 EK= 0.52981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370284859140E+03 0.44216E+00 -0.14798E-01 7824 0.232E+01 0.316E-01 RMM: 2 -0.370292795913E+03 -0.79368E-02 -0.64522E-02 5194 0.610E-01 0.794E-01 RMM: 3 -0.370288742108E+03 0.40538E-02 -0.60874E-03 5439 0.167E-01 0.207E-01 RMM: 4 -0.370289527179E+03 -0.78507E-03 -0.14337E-03 4710 0.949E-02 0.423E-01 RMM: 5 -0.370288395663E+03 0.11315E-02 -0.64739E-04 4577 0.668E-02 0.111E-01 RMM: 6 -0.370288367955E+03 0.27708E-04 -0.12817E-04 3856 0.283E-02 0.975E-02 RMM: 7 -0.370288348325E+03 0.19630E-04 -0.62709E-05 3494 0.236E-02 1999 T= 6184. E= 0.68103915E+03 F= 0.62988016E+03 E0= 0.65997459E+03 EK= 0.51159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370042564813E+03 0.24580E+00 -0.14228E-01 7740 0.230E+01 0.323E-01 RMM: 2 -0.370050335574E+03 -0.77708E-02 -0.67473E-02 5066 0.626E-01 0.749E-01 RMM: 3 -0.370046841124E+03 0.34944E-02 -0.72540E-03 5408 0.184E-01 0.244E-01 RMM: 4 -0.370047669551E+03 -0.82843E-03 -0.14375E-03 4738 0.937E-02 0.444E-01 RMM: 5 -0.370046369642E+03 0.12999E-02 -0.67214E-04 4599 0.677E-02 0.101E-01 RMM: 6 -0.370046389625E+03 -0.19982E-04 -0.15391E-04 3871 0.310E-02 2000 T= 6074. E= 0.68006468E+03 F= 0.62981960E+03 E0= 0.65991012E+03 EK= 0.50245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369978130040E+03 0.68240E-01 -0.13733E-01 7668 0.230E+01 0.410E-01 RMM: 2 -0.370010063040E+03 -0.31933E-01 -0.71645E-02 5111 0.659E-01 0.208E+00 RMM: 3 -0.369982392128E+03 0.27671E-01 -0.13685E-02 5334 0.289E-01 0.379E-01 RMM: 4 -0.369981772927E+03 0.61920E-03 -0.21306E-03 5026 0.102E-01 0.248E-01 RMM: 5 -0.369981753216E+03 0.19711E-04 -0.70642E-04 4608 0.688E-02 0.269E-01 RMM: 6 -0.369981321376E+03 0.43184E-03 -0.31568E-04 3928 0.475E-02 0.922E-02 RMM: 7 -0.369981364116E+03 -0.42740E-04 -0.14540E-04 3888 0.330E-02 0.127E-01 RMM: 8 -0.369981261069E+03 0.10305E-03 -0.69066E-05 3541 0.252E-02 0.469E-02 RMM: 9 -0.369981250652E+03 0.10417E-04 -0.12989E-05 2506 0.108E-02 2001 T= 6101. E= 0.68005189E+03 F= 0.62957650E+03 E0= 0.65966627E+03 EK= 0.50475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370036634540E+03 -0.55373E-01 -0.14133E-01 7836 0.232E+01 0.408E-01 RMM: 2 -0.370066602918E+03 -0.29968E-01 -0.71143E-02 5101 0.663E-01 0.201E+00 RMM: 3 -0.370040889930E+03 0.25713E-01 -0.13705E-02 5326 0.292E-01 0.430E-01 RMM: 4 -0.370039911918E+03 0.97801E-03 -0.22361E-03 5023 0.106E-01 0.217E-01 RMM: 5 -0.370040020188E+03 -0.10827E-03 -0.63173E-04 4598 0.675E-02 0.269E-01 RMM: 6 -0.370039547714E+03 0.47247E-03 -0.22351E-04 3880 0.397E-02 0.548E-02 RMM: 7 -0.370039608454E+03 -0.60740E-04 -0.10140E-04 3687 0.268E-02 0.115E-01 RMM: 8 -0.370039526502E+03 0.81952E-04 -0.41600E-05 3163 0.204E-02 0.346E-02 RMM: 9 -0.370039519646E+03 0.68559E-05 -0.77025E-06 2462 0.807E-03 2002 T= 6253. E= 0.68093300E+03 F= 0.62920708E+03 E0= 0.65930215E+03 EK= 0.51726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370135636643E+03 -0.96110E-01 -0.14567E-01 7800 0.236E+01 0.314E-01 RMM: 2 -0.370149644653E+03 -0.14008E-01 -0.64739E-02 5183 0.620E-01 0.124E+00 RMM: 3 -0.370139815355E+03 0.98293E-02 -0.77491E-03 5378 0.201E-01 0.244E-01 RMM: 4 -0.370139922026E+03 -0.10667E-03 -0.13981E-03 4702 0.887E-02 0.301E-01 RMM: 5 -0.370139539542E+03 0.38248E-03 -0.71837E-04 4600 0.731E-02 0.209E-01 RMM: 6 -0.370139317763E+03 0.22178E-03 -0.25556E-04 3893 0.417E-02 0.106E-01 RMM: 7 -0.370139304720E+03 0.13043E-04 -0.13880E-04 3865 0.365E-02 2003 T= 6472. E= 0.68233729E+03 F= 0.62879549E+03 E0= 0.65890024E+03 EK= 0.53542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370179411947E+03 -0.40094E-01 -0.15603E-01 7896 0.241E+01 0.300E-01 RMM: 2 -0.370188676283E+03 -0.92643E-02 -0.75473E-02 5049 0.661E-01 0.796E-01 RMM: 3 -0.370184730371E+03 0.39459E-02 -0.79251E-03 5479 0.182E-01 0.230E-01 RMM: 4 -0.370185090730E+03 -0.36036E-03 -0.14078E-03 4757 0.949E-02 0.358E-01 RMM: 5 -0.370184288573E+03 0.80216E-03 -0.82134E-04 4606 0.779E-02 0.135E-01 RMM: 6 -0.370184342229E+03 -0.53656E-04 -0.27329E-04 3890 0.419E-02 0.170E-01 RMM: 7 -0.370184215631E+03 0.12660E-03 -0.13516E-04 3839 0.362E-02 0.108E-01 RMM: 8 -0.370184144551E+03 0.71081E-04 -0.37677E-05 3114 0.183E-02 0.372E-02 RMM: 9 -0.370184153409E+03 -0.88580E-05 -0.22024E-05 2578 0.134E-02 2004 T= 6676. E= 0.68366403E+03 F= 0.62843892E+03 E0= 0.65855672E+03 EK= 0.55225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370078185923E+03 0.10596E+00 -0.16952E-01 7776 0.244E+01 0.250E-01 RMM: 2 -0.370090564088E+03 -0.12378E-01 -0.85620E-02 4914 0.711E-01 0.946E-01 RMM: 3 -0.370084733279E+03 0.58308E-02 -0.91989E-03 5493 0.199E-01 0.191E-01 RMM: 4 -0.370084736312E+03 -0.30333E-05 -0.10291E-03 4704 0.780E-02 0.239E-01 RMM: 5 -0.370084482149E+03 0.25416E-03 -0.52354E-04 4596 0.636E-02 0.158E-01 RMM: 6 -0.370084372841E+03 0.10931E-03 -0.21019E-04 3892 0.383E-02 0.935E-02 RMM: 7 -0.370084400383E+03 -0.27542E-04 -0.81460E-05 3628 0.270E-02 0.118E-01 RMM: 8 -0.370084310491E+03 0.89892E-04 -0.35383E-05 3081 0.184E-02 0.239E-02 RMM: 9 -0.370084308471E+03 0.20203E-05 -0.63928E-06 2450 0.716E-03 2005 T= 6777. E= 0.68429032E+03 F= 0.62822610E+03 E0= 0.65835909E+03 EK= 0.56064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369777202575E+03 0.30711E+00 -0.16698E-01 7776 0.244E+01 0.304E-01 RMM: 2 -0.369785716176E+03 -0.85136E-02 -0.72010E-02 5069 0.637E-01 0.763E-01 RMM: 3 -0.369781963957E+03 0.37522E-02 -0.69960E-03 5452 0.173E-01 0.218E-01 RMM: 4 -0.369782602250E+03 -0.63829E-03 -0.15929E-03 4835 0.104E-01 0.408E-01 RMM: 5 -0.369781580835E+03 0.10214E-02 -0.69362E-04 4606 0.701E-02 0.140E-01 RMM: 6 -0.369781572786E+03 0.80493E-05 -0.23410E-04 3888 0.387E-02 0.143E-01 RMM: 7 -0.369781492988E+03 0.79797E-04 -0.11471E-04 3824 0.331E-02 0.104E-01 RMM: 8 -0.369781425535E+03 0.67454E-04 -0.33020E-05 3031 0.175E-02 0.316E-02 RMM: 9 -0.369781432334E+03 -0.67992E-05 -0.17531E-05 2516 0.119E-02 2006 T= 6729. E= 0.68388190E+03 F= 0.62821297E+03 E0= 0.65836224E+03 EK= 0.55669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369258304801E+03 0.52312E+00 -0.16809E-01 7728 0.241E+01 0.287E-01 RMM: 2 -0.369267893985E+03 -0.95892E-02 -0.67996E-02 5067 0.621E-01 0.882E-01 RMM: 3 -0.369262795054E+03 0.50989E-02 -0.69440E-03 5424 0.176E-01 0.196E-01 RMM: 4 -0.369263298181E+03 -0.50313E-03 -0.13720E-03 4730 0.927E-02 0.366E-01 RMM: 5 -0.369262551931E+03 0.74625E-03 -0.61079E-04 4586 0.662E-02 0.156E-01 RMM: 6 -0.369262450526E+03 0.10141E-03 -0.19138E-04 3886 0.357E-02 0.101E-01 RMM: 7 -0.369262465463E+03 -0.14937E-04 -0.88537E-05 3739 0.281E-02 2007 T= 6550. E= 0.68259932E+03 F= 0.62840986E+03 E0= 0.65857539E+03 EK= 0.54189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368554036325E+03 0.70841E+00 -0.16674E-01 7620 0.237E+01 0.361E-01 RMM: 2 -0.368561576779E+03 -0.75405E-02 -0.62731E-02 5158 0.598E-01 0.826E-01 RMM: 3 -0.368557446653E+03 0.41301E-02 -0.66910E-03 5371 0.180E-01 0.297E-01 RMM: 4 -0.368558319781E+03 -0.87313E-03 -0.18901E-03 4884 0.107E-01 0.486E-01 RMM: 5 -0.368556848786E+03 0.14710E-02 -0.94669E-04 4608 0.829E-02 0.156E-01 RMM: 6 -0.368556765888E+03 0.82898E-04 -0.20531E-04 3891 0.366E-02 0.119E-01 RMM: 7 -0.368556773544E+03 -0.76556E-05 -0.12124E-04 3846 0.311E-02 2008 T= 6313. E= 0.68101080E+03 F= 0.62878546E+03 E0= 0.65896729E+03 EK= 0.52225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367717640380E+03 0.83913E+00 -0.15840E-01 7404 0.232E+01 0.338E-01 RMM: 2 -0.367726592583E+03 -0.89522E-02 -0.58287E-02 5170 0.578E-01 0.957E-01 RMM: 3 -0.367720794654E+03 0.57979E-02 -0.64326E-03 5376 0.179E-01 0.261E-01 RMM: 4 -0.367721575267E+03 -0.78061E-03 -0.17619E-03 4828 0.103E-01 0.449E-01 RMM: 5 -0.367720457501E+03 0.11178E-02 -0.73066E-04 4574 0.711E-02 0.194E-01 RMM: 6 -0.367720244154E+03 0.21335E-03 -0.22858E-04 3888 0.395E-02 0.810E-02 RMM: 7 -0.367720315712E+03 -0.71558E-04 -0.90967E-05 3707 0.270E-02 0.139E-01 RMM: 8 -0.367720190984E+03 0.12473E-03 -0.45936E-05 3230 0.208E-02 0.330E-02 RMM: 9 -0.367720190625E+03 0.35841E-06 -0.14531E-05 2497 0.106E-02 2009 T= 6106. E= 0.67979433E+03 F= 0.62928373E+03 E0= 0.65948169E+03 EK= 0.50511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366812594539E+03 0.90760E+00 -0.15685E-01 7536 0.229E+01 0.323E-01 RMM: 2 -0.366822262937E+03 -0.96684E-02 -0.55546E-02 5208 0.554E-01 0.103E+00 RMM: 3 -0.366815418573E+03 0.68444E-02 -0.58925E-03 5364 0.171E-01 0.200E-01 RMM: 4 -0.366816373899E+03 -0.95533E-03 -0.14373E-03 4712 0.940E-02 0.445E-01 RMM: 5 -0.366815152357E+03 0.12215E-02 -0.57024E-04 4592 0.640E-02 0.132E-01 RMM: 6 -0.366815070120E+03 0.82238E-04 -0.15458E-04 3884 0.317E-02 0.813E-02 RMM: 7 -0.366815077126E+03 -0.70064E-05 -0.59974E-05 3405 0.225E-02 2010 T= 5999. E= 0.67947344E+03 F= 0.62984417E+03 E0= 0.66005898E+03 EK= 0.49629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365890886979E+03 0.92418E+00 -0.15711E-01 7968 0.228E+01 0.365E-01 RMM: 2 -0.365899037859E+03 -0.81509E-02 -0.56016E-02 5247 0.566E-01 0.946E-01 RMM: 3 -0.365893576912E+03 0.54609E-02 -0.62331E-03 5384 0.179E-01 0.294E-01 RMM: 4 -0.365894539961E+03 -0.96305E-03 -0.19683E-03 4816 0.110E-01 0.500E-01 RMM: 5 -0.365893032846E+03 0.15071E-02 -0.89065E-04 4599 0.789E-02 0.172E-01 RMM: 6 -0.365892911585E+03 0.12126E-03 -0.21741E-04 3896 0.377E-02 0.115E-01 RMM: 7 -0.365892909269E+03 0.23159E-05 -0.10952E-04 3855 0.301E-02 2011 T= 6030. E= 0.68029960E+03 F= 0.63041878E+03 E0= 0.66065107E+03 EK= 0.49881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364987335851E+03 0.90558E+00 -0.15658E-01 8040 0.229E+01 0.324E-01 RMM: 2 -0.364994970837E+03 -0.76350E-02 -0.59050E-02 5228 0.568E-01 0.823E-01 RMM: 3 -0.364990688422E+03 0.42824E-02 -0.56448E-03 5451 0.162E-01 0.248E-01 RMM: 4 -0.364991382946E+03 -0.69452E-03 -0.16283E-03 4689 0.101E-01 0.428E-01 RMM: 5 -0.364990266209E+03 0.11167E-02 -0.77486E-04 4604 0.745E-02 0.154E-01 RMM: 6 -0.364990192969E+03 0.73240E-04 -0.21731E-04 3889 0.376E-02 0.119E-01 RMM: 7 -0.364990188377E+03 0.45921E-05 -0.99939E-05 3771 0.295E-02 2012 T= 6194. E= 0.68221907E+03 F= 0.63097507E+03 E0= 0.66122674E+03 EK= 0.51244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364123095028E+03 0.86710E+00 -0.15923E-01 7872 0.233E+01 0.315E-01 RMM: 2 -0.364132271779E+03 -0.91768E-02 -0.66345E-02 5254 0.601E-01 0.890E-01 RMM: 3 -0.364127152574E+03 0.51192E-02 -0.65130E-03 5457 0.175E-01 0.243E-01 RMM: 4 -0.364127754094E+03 -0.60152E-03 -0.14471E-03 4668 0.942E-02 0.414E-01 RMM: 5 -0.364126725983E+03 0.10281E-02 -0.75328E-04 4601 0.738E-02 0.151E-01 RMM: 6 -0.364126678367E+03 0.47616E-04 -0.27703E-04 3891 0.427E-02 0.130E-01 RMM: 7 -0.364126636244E+03 0.42123E-04 -0.98936E-05 3808 0.307E-02 0.109E-01 RMM: 8 -0.364126559444E+03 0.76799E-04 -0.30814E-05 2986 0.169E-02 0.321E-02 RMM: 9 -0.364126561809E+03 -0.23642E-05 -0.13781E-05 2486 0.104E-02 2013 T= 6450. E= 0.68485834E+03 F= 0.63149648E+03 E0= 0.66176772E+03 EK= 0.53362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363303810346E+03 0.82275E+00 -0.16405E-01 7884 0.237E+01 0.275E-01 RMM: 2 -0.363314420100E+03 -0.10610E-01 -0.77489E-02 5197 0.644E-01 0.892E-01 RMM: 3 -0.363309251956E+03 0.51681E-02 -0.75566E-03 5598 0.178E-01 0.189E-01 RMM: 4 -0.363309628215E+03 -0.37626E-03 -0.11433E-03 4642 0.838E-02 0.342E-01 RMM: 5 -0.363308913509E+03 0.71471E-03 -0.57519E-04 4583 0.655E-02 0.129E-01 RMM: 6 -0.363308905722E+03 0.77867E-05 -0.22920E-04 3890 0.387E-02 0.129E-01 RMM: 7 -0.363308871229E+03 0.34493E-04 -0.90311E-05 3677 0.284E-02 0.112E-01 RMM: 8 -0.363308790054E+03 0.81176E-04 -0.33093E-05 3037 0.176E-02 0.226E-02 RMM: 9 -0.363308790533E+03 -0.47933E-06 -0.83149E-06 2455 0.800E-03 2014 T= 6716. E= 0.68753984E+03 F= 0.63197738E+03 E0= 0.66226794E+03 EK= 0.55562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362531946333E+03 0.77684E+00 -0.17275E-01 8268 0.240E+01 0.316E-01 RMM: 2 -0.362544001884E+03 -0.12056E-01 -0.90267E-02 5172 0.698E-01 0.944E-01 RMM: 3 -0.362538259483E+03 0.57424E-02 -0.90956E-03 5631 0.195E-01 0.239E-01 RMM: 4 -0.362538584911E+03 -0.32543E-03 -0.15495E-03 4770 0.980E-02 0.373E-01 RMM: 5 -0.362537752730E+03 0.83218E-03 -0.79954E-04 4610 0.760E-02 0.155E-01 RMM: 6 -0.362537759706E+03 -0.69759E-05 -0.29827E-04 3915 0.446E-02 0.162E-01 RMM: 7 -0.362537686931E+03 0.72775E-04 -0.12556E-04 3869 0.338E-02 0.130E-01 RMM: 8 -0.362537578198E+03 0.10873E-03 -0.50113E-05 3314 0.205E-02 0.370E-02 RMM: 9 -0.362537579569E+03 -0.13709E-05 -0.17584E-05 2523 0.119E-02 2015 T= 6893. E= 0.68944108E+03 F= 0.63241582E+03 E0= 0.66272412E+03 EK= 0.57025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361807666563E+03 0.72991E+00 -0.17505E-01 8268 0.242E+01 0.309E-01 RMM: 2 -0.361822551848E+03 -0.14885E-01 -0.10285E-01 5120 0.737E-01 0.106E+00 RMM: 3 -0.361815095843E+03 0.74560E-02 -0.10678E-02 5607 0.211E-01 0.208E-01 RMM: 4 -0.361815479665E+03 -0.38382E-03 -0.14395E-03 4763 0.926E-02 0.365E-01 RMM: 5 -0.361814659000E+03 0.82067E-03 -0.66063E-04 4584 0.690E-02 0.135E-01 RMM: 6 -0.361814677213E+03 -0.18213E-04 -0.23332E-04 3886 0.387E-02 0.149E-01 RMM: 7 -0.361814618267E+03 0.58946E-04 -0.11288E-04 3825 0.309E-02 0.121E-01 RMM: 8 -0.361814522939E+03 0.95328E-04 -0.48098E-05 3268 0.205E-02 0.299E-02 RMM: 9 -0.361814525151E+03 -0.22125E-05 -0.13135E-05 2491 0.104E-02 2016 T= 6907. E= 0.68994642E+03 F= 0.63280696E+03 E0= 0.66312910E+03 EK= 0.57139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361138696599E+03 0.67583E+00 -0.17553E-01 8196 0.240E+01 0.317E-01 RMM: 2 -0.361151603411E+03 -0.12907E-01 -0.10006E-01 5183 0.710E-01 0.932E-01 RMM: 3 -0.361145632422E+03 0.59710E-02 -0.92802E-03 5627 0.197E-01 0.225E-01 RMM: 4 -0.361146269670E+03 -0.63725E-03 -0.17004E-03 4850 0.103E-01 0.420E-01 RMM: 5 -0.361145201630E+03 0.10680E-02 -0.73250E-04 4600 0.711E-02 0.147E-01 RMM: 6 -0.361145169233E+03 0.32397E-04 -0.24176E-04 3900 0.397E-02 0.134E-01 RMM: 7 -0.361145139235E+03 0.29999E-04 -0.99240E-05 3819 0.298E-02 0.122E-01 RMM: 8 -0.361145041528E+03 0.97707E-04 -0.42103E-05 3205 0.191E-02 0.300E-02 RMM: 9 -0.361145045136E+03 -0.36083E-05 -0.14465E-05 2505 0.107E-02 2017 T= 6752. E= 0.68899515E+03 F= 0.63314124E+03 E0= 0.66347285E+03 EK= 0.55854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360530899376E+03 0.61414E+00 -0.17252E-01 8124 0.236E+01 0.336E-01 RMM: 2 -0.360545044675E+03 -0.14145E-01 -0.10123E-01 5139 0.719E-01 0.104E+00 RMM: 3 -0.360537659580E+03 0.73851E-02 -0.98654E-03 5642 0.208E-01 0.224E-01 RMM: 4 -0.360538421943E+03 -0.76236E-03 -0.18244E-03 4921 0.105E-01 0.440E-01 RMM: 5 -0.360537264449E+03 0.11575E-02 -0.77109E-04 4586 0.737E-02 0.156E-01 RMM: 6 -0.360537167090E+03 0.97359E-04 -0.19511E-04 3883 0.354E-02 0.105E-01 RMM: 7 -0.360537186563E+03 -0.19473E-04 -0.10452E-04 3797 0.289E-02 2018 T= 6492. E= 0.68711675E+03 F= 0.63340694E+03 E0= 0.66374283E+03 EK= 0.53710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359987706794E+03 0.54946E+00 -0.16523E-01 8112 0.232E+01 0.362E-01 RMM: 2 -0.359997361163E+03 -0.96544E-02 -0.92268E-02 5245 0.674E-01 0.738E-01 RMM: 3 -0.359993561010E+03 0.38002E-02 -0.81382E-03 5544 0.191E-01 0.310E-01 RMM: 4 -0.359994575140E+03 -0.10141E-02 -0.20021E-03 4879 0.111E-01 0.521E-01 RMM: 5 -0.359992833945E+03 0.17412E-02 -0.96744E-04 4604 0.821E-02 0.127E-01 RMM: 6 -0.359992862894E+03 -0.28948E-04 -0.23427E-04 3892 0.384E-02 0.151E-01 RMM: 7 -0.359992785941E+03 0.76953E-04 -0.10709E-04 3848 0.309E-02 0.115E-01 RMM: 8 -0.359992699021E+03 0.86920E-04 -0.50167E-05 3285 0.206E-02 0.337E-02 RMM: 9 -0.359992710427E+03 -0.11406E-04 -0.20294E-05 2561 0.127E-02 2019 T= 6228. E= 0.68512139E+03 F= 0.63360030E+03 E0= 0.66393673E+03 EK= 0.51521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359493998953E+03 0.49870E+00 -0.16650E-01 8184 0.229E+01 0.312E-01 RMM: 2 -0.359506957866E+03 -0.12959E-01 -0.10158E-01 4985 0.714E-01 0.907E-01 RMM: 3 -0.359501057566E+03 0.59003E-02 -0.10057E-02 5640 0.205E-01 0.211E-01 RMM: 4 -0.359501893355E+03 -0.83579E-03 -0.16845E-03 4910 0.101E-01 0.442E-01 RMM: 5 -0.359500702667E+03 0.11907E-02 -0.68154E-04 4590 0.694E-02 0.140E-01 RMM: 6 -0.359500608188E+03 0.94478E-04 -0.16866E-04 3880 0.332E-02 0.806E-02 RMM: 7 -0.359500641274E+03 -0.33085E-04 -0.68407E-05 3522 0.234E-02 0.112E-01 RMM: 8 -0.359500558548E+03 0.82726E-04 -0.35460E-05 3082 0.187E-02 0.211E-02 RMM: 9 -0.359500559935E+03 -0.13875E-05 -0.75412E-06 2465 0.764E-03 2020 T= 6044. E= 0.68373088E+03 F= 0.63373277E+03 E0= 0.66406614E+03 EK= 0.49998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359025739193E+03 0.47482E+00 -0.16253E-01 7968 0.228E+01 0.350E-01 RMM: 2 -0.359036357907E+03 -0.10619E-01 -0.92717E-02 5047 0.687E-01 0.817E-01 RMM: 3 -0.359031804082E+03 0.45538E-02 -0.91384E-03 5581 0.200E-01 0.285E-01 RMM: 4 -0.359032632615E+03 -0.82853E-03 -0.20033E-03 4999 0.111E-01 0.480E-01 RMM: 5 -0.359031235953E+03 0.13967E-02 -0.92638E-04 4600 0.808E-02 0.167E-01 RMM: 6 -0.359031111052E+03 0.12490E-03 -0.23228E-04 3889 0.390E-02 0.107E-01 RMM: 7 -0.359031125386E+03 -0.14334E-04 -0.10660E-04 3835 0.304E-02 2021 T= 5989. E= 0.68338478E+03 F= 0.63383660E+03 E0= 0.66416394E+03 EK= 0.49548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358528378000E+03 0.50273E+00 -0.16110E-01 7980 0.230E+01 0.353E-01 RMM: 2 -0.358538061672E+03 -0.96837E-02 -0.84282E-02 5135 0.662E-01 0.811E-01 RMM: 3 -0.358533681057E+03 0.43806E-02 -0.84354E-03 5540 0.195E-01 0.269E-01 RMM: 4 -0.358534598968E+03 -0.91791E-03 -0.18015E-03 4854 0.105E-01 0.487E-01 RMM: 5 -0.358533138735E+03 0.14602E-02 -0.10175E-03 4602 0.859E-02 0.155E-01 RMM: 6 -0.358533084168E+03 0.54566E-04 -0.26394E-04 3898 0.414E-02 0.136E-01 RMM: 7 -0.358533049388E+03 0.34781E-04 -0.13899E-04 3863 0.358E-02 0.127E-01 RMM: 8 -0.358532948618E+03 0.10077E-03 -0.50148E-05 3295 0.212E-02 0.397E-02 RMM: 9 -0.358532955898E+03 -0.72801E-05 -0.22298E-05 2625 0.135E-02 2022 T= 6073. E= 0.68420648E+03 F= 0.63396726E+03 E0= 0.66428706E+03 EK= 0.50239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357932930791E+03 0.60002E+00 -0.16496E-01 8184 0.233E+01 0.279E-01 RMM: 2 -0.357943509912E+03 -0.10579E-01 -0.80078E-02 5116 0.643E-01 0.862E-01 RMM: 3 -0.357938458969E+03 0.50509E-02 -0.76825E-03 5617 0.181E-01 0.196E-01 RMM: 4 -0.357938909260E+03 -0.45029E-03 -0.13014E-03 4664 0.892E-02 0.360E-01 RMM: 5 -0.357938160534E+03 0.74873E-03 -0.67001E-04 4605 0.715E-02 0.146E-01 RMM: 6 -0.357938073802E+03 0.86732E-04 -0.21868E-04 3886 0.383E-02 0.971E-02 RMM: 7 -0.357938086759E+03 -0.12957E-04 -0.75889E-05 3679 0.270E-02 2023 T= 6264. E= 0.68601444E+03 F= 0.63419670E+03 E0= 0.66450468E+03 EK= 0.51818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357164395074E+03 0.77368E+00 -0.17243E-01 7992 0.239E+01 0.338E-01 RMM: 2 -0.357173993293E+03 -0.95982E-02 -0.85421E-02 5170 0.683E-01 0.796E-01 RMM: 3 -0.357170011150E+03 0.39821E-02 -0.86680E-03 5698 0.187E-01 0.250E-01 RMM: 4 -0.357170680833E+03 -0.66968E-03 -0.18729E-03 4844 0.111E-01 0.452E-01 RMM: 5 -0.357169411759E+03 0.12691E-02 -0.11047E-03 4605 0.893E-02 0.136E-01 RMM: 6 -0.357169529570E+03 -0.11781E-03 -0.29474E-04 3889 0.444E-02 0.199E-01 RMM: 7 -0.357169317973E+03 0.21160E-03 -0.17377E-04 3875 0.411E-02 0.104E-01 RMM: 8 -0.357169253416E+03 0.64557E-04 -0.44538E-05 3193 0.197E-02 0.404E-02 RMM: 9 -0.357169263291E+03 -0.98746E-05 -0.25888E-05 2686 0.148E-02 2024 T= 6496. E= 0.68834520E+03 F= 0.63460486E+03 E0= 0.66489879E+03 EK= 0.53740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356153655163E+03 0.10156E+01 -0.18471E-01 7824 0.243E+01 0.287E-01 RMM: 2 -0.356167592734E+03 -0.13938E-01 -0.96224E-02 5012 0.741E-01 0.103E+00 RMM: 3 -0.356160699098E+03 0.68936E-02 -0.10431E-02 5669 0.209E-01 0.213E-01 RMM: 4 -0.356160705704E+03 -0.66057E-05 -0.12833E-03 4718 0.875E-02 0.278E-01 RMM: 5 -0.356160336665E+03 0.36904E-03 -0.68525E-04 4601 0.725E-02 0.174E-01 RMM: 6 -0.356160212250E+03 0.12442E-03 -0.26943E-04 3894 0.426E-02 0.112E-01 RMM: 7 -0.356160244455E+03 -0.32204E-04 -0.10301E-04 3800 0.306E-02 0.136E-01 RMM: 8 -0.356160121677E+03 0.12278E-03 -0.43521E-05 3220 0.199E-02 0.277E-02 RMM: 9 -0.356160120745E+03 0.93124E-06 -0.10258E-05 2471 0.924E-03 2025 T= 6683. E= 0.69054872E+03 F= 0.63525868E+03 E0= 0.66553152E+03 EK= 0.55290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354872305875E+03 0.12878E+01 -0.18532E-01 7908 0.246E+01 0.314E-01 RMM: 2 -0.354881509490E+03 -0.92036E-02 -0.80544E-02 5218 0.665E-01 0.771E-01 RMM: 3 -0.354877547092E+03 0.39624E-02 -0.75372E-03 5693 0.175E-01 0.220E-01 RMM: 4 -0.354878184539E+03 -0.63745E-03 -0.17128E-03 4792 0.109E-01 0.424E-01 RMM: 5 -0.354877069117E+03 0.11154E-02 -0.82333E-04 4603 0.767E-02 0.126E-01 RMM: 6 -0.354877132548E+03 -0.63431E-04 -0.25479E-04 3883 0.406E-02 0.167E-01 RMM: 7 -0.354876999418E+03 0.13313E-03 -0.12407E-04 3844 0.342E-02 0.100E-01 RMM: 8 -0.354876936392E+03 0.63026E-04 -0.35184E-05 3069 0.178E-02 0.327E-02 RMM: 9 -0.354876942373E+03 -0.59809E-05 -0.17825E-05 2511 0.123E-02 2026 T= 6750. E= 0.69202879E+03 F= 0.63619044E+03 E0= 0.66643547E+03 EK= 0.55838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353327894868E+03 0.15490E+01 -0.18864E-01 7704 0.246E+01 0.322E-01 RMM: 2 -0.353340155921E+03 -0.12261E-01 -0.88637E-02 5021 0.712E-01 0.986E-01 RMM: 3 -0.353333877871E+03 0.62780E-02 -0.96694E-03 5628 0.205E-01 0.217E-01 RMM: 4 -0.353334457717E+03 -0.57985E-03 -0.16501E-03 4898 0.102E-01 0.402E-01 RMM: 5 -0.353333509021E+03 0.94870E-03 -0.75609E-04 4597 0.735E-02 0.164E-01 RMM: 6 -0.353333408788E+03 0.10023E-03 -0.26206E-04 3899 0.417E-02 0.116E-01 RMM: 7 -0.353333425962E+03 -0.17174E-04 -0.10229E-04 3811 0.302E-02 2027 T= 6668. E= 0.69254404E+03 F= 0.63738387E+03 E0= 0.66759285E+03 EK= 0.55160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351588287446E+03 0.17451E+01 -0.18795E-01 7788 0.243E+01 0.381E-01 RMM: 2 -0.351599209531E+03 -0.10922E-01 -0.87336E-02 5020 0.707E-01 0.941E-01 RMM: 3 -0.351593615710E+03 0.55938E-02 -0.96831E-03 5500 0.213E-01 0.285E-01 RMM: 4 -0.351594652516E+03 -0.10368E-02 -0.22103E-03 5059 0.116E-01 0.517E-01 RMM: 5 -0.351592994686E+03 0.16578E-02 -0.10365E-03 4604 0.855E-02 0.152E-01 RMM: 6 -0.351592945784E+03 0.48902E-04 -0.23271E-04 3888 0.390E-02 0.134E-01 RMM: 7 -0.351592924516E+03 0.21268E-04 -0.13329E-04 3869 0.328E-02 0.131E-01 RMM: 8 -0.351592812861E+03 0.11165E-03 -0.66048E-05 3452 0.239E-02 0.371E-02 RMM: 9 -0.351592823648E+03 -0.10787E-04 -0.21788E-05 2606 0.132E-02 2028 T= 6475. E= 0.69234040E+03 F= 0.63877317E+03 E0= 0.66894020E+03 EK= 0.53567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349745037507E+03 0.18478E+01 -0.17925E-01 7836 0.239E+01 0.340E-01 RMM: 2 -0.349757804873E+03 -0.12767E-01 -0.78653E-02 4970 0.679E-01 0.112E+00 RMM: 3 -0.349749824434E+03 0.79804E-02 -0.92208E-03 5451 0.216E-01 0.225E-01 RMM: 4 -0.349750808360E+03 -0.98393E-03 -0.17781E-03 5016 0.102E-01 0.463E-01 RMM: 5 -0.349749509898E+03 0.12985E-02 -0.69003E-04 4547 0.694E-02 0.145E-01 RMM: 6 -0.349749391547E+03 0.11835E-03 -0.16892E-04 3880 0.341E-02 0.690E-02 RMM: 7 -0.349749430991E+03 -0.39444E-04 -0.59477E-05 3393 0.216E-02 0.107E-01 RMM: 8 -0.349749356589E+03 0.74402E-04 -0.32617E-05 2986 0.185E-02 0.291E-02 RMM: 9 -0.349749353355E+03 0.32337E-05 -0.82666E-06 2461 0.822E-03 2029 T= 6253. E= 0.69199449E+03 F= 0.64026284E+03 E0= 0.67038109E+03 EK= 0.51732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347894622066E+03 0.18547E+01 -0.17212E-01 7788 0.235E+01 0.376E-01 RMM: 2 -0.347904404151E+03 -0.97821E-02 -0.72248E-02 5049 0.651E-01 0.960E-01 RMM: 3 -0.347898560958E+03 0.58432E-02 -0.84693E-03 5390 0.209E-01 0.296E-01 RMM: 4 -0.347899556214E+03 -0.99526E-03 -0.22758E-03 5186 0.118E-01 0.495E-01 RMM: 5 -0.347897964116E+03 0.15921E-02 -0.93565E-04 4605 0.817E-02 0.134E-01 RMM: 6 -0.347897904670E+03 0.59446E-04 -0.16473E-04 3880 0.328E-02 0.105E-01 RMM: 7 -0.347897913285E+03 -0.86151E-05 -0.89594E-05 3702 0.261E-02 2030 T= 6088. E= 0.69211881E+03 F= 0.64175863E+03 E0= 0.67182434E+03 EK= 0.50360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346107869148E+03 0.17900E+01 -0.16902E-01 7800 0.233E+01 0.360E-01 RMM: 2 -0.346115256540E+03 -0.73874E-02 -0.66435E-02 5042 0.621E-01 0.769E-01 RMM: 3 -0.346111701181E+03 0.35554E-02 -0.71212E-03 5407 0.188E-01 0.301E-01 RMM: 4 -0.346112707958E+03 -0.10068E-02 -0.18952E-03 5004 0.108E-01 0.509E-01 RMM: 5 -0.346111080966E+03 0.16270E-02 -0.91979E-04 4591 0.807E-02 0.140E-01 RMM: 6 -0.346111015392E+03 0.65574E-04 -0.19911E-04 3889 0.360E-02 0.110E-01 RMM: 7 -0.346111020435E+03 -0.50429E-05 -0.93740E-05 3755 0.277E-02 2031 T= 6037. E= 0.69313677E+03 F= 0.64319054E+03 E0= 0.67319971E+03 EK= 0.49946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344425953746E+03 0.16851E+01 -0.17260E-01 7788 0.234E+01 0.359E-01 RMM: 2 -0.344438106922E+03 -0.12153E-01 -0.74036E-02 4957 0.671E-01 0.112E+00 RMM: 3 -0.344430155537E+03 0.79514E-02 -0.95498E-03 5374 0.226E-01 0.238E-01 RMM: 4 -0.344431031565E+03 -0.87603E-03 -0.17700E-03 5063 0.102E-01 0.445E-01 RMM: 5 -0.344429922196E+03 0.11094E-02 -0.71472E-04 4579 0.705E-02 0.206E-01 RMM: 6 -0.344429657567E+03 0.26463E-03 -0.27694E-04 3903 0.435E-02 0.719E-02 RMM: 7 -0.344429721244E+03 -0.63677E-04 -0.93023E-05 3675 0.274E-02 0.128E-01 RMM: 8 -0.344429619261E+03 0.10198E-03 -0.36764E-05 3074 0.192E-02 0.407E-02 RMM: 9 -0.344429612887E+03 0.63749E-05 -0.14277E-05 2496 0.107E-02 2032 T= 6125. E= 0.69518873E+03 F= 0.64452117E+03 E0= 0.67447309E+03 EK= 0.50668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342858674125E+03 0.15709E+01 -0.18452E-01 7920 0.237E+01 0.294E-01 RMM: 2 -0.342868836469E+03 -0.10162E-01 -0.76532E-02 4930 0.657E-01 0.862E-01 RMM: 3 -0.342863875386E+03 0.49611E-02 -0.82150E-03 5401 0.198E-01 0.224E-01 RMM: 4 -0.342864407316E+03 -0.53193E-03 -0.14913E-03 4915 0.949E-02 0.381E-01 RMM: 5 -0.342863566708E+03 0.84061E-03 -0.69102E-04 4564 0.710E-02 0.161E-01 RMM: 6 -0.342863435728E+03 0.13098E-03 -0.21351E-04 3887 0.383E-02 0.855E-02 RMM: 7 -0.342863478736E+03 -0.43007E-04 -0.83920E-05 3629 0.262E-02 0.121E-01 RMM: 8 -0.342863383984E+03 0.94752E-04 -0.39195E-05 3141 0.196E-02 0.311E-02 RMM: 9 -0.342863379852E+03 0.41322E-05 -0.82689E-06 2466 0.820E-03 2033 T= 6329. E= 0.69810162E+03 F= 0.64574405E+03 E0= 0.67563880E+03 EK= 0.52358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341396481084E+03 0.14669E+01 -0.18963E-01 8208 0.241E+01 0.328E-01 RMM: 2 -0.341410845460E+03 -0.14364E-01 -0.88984E-02 5019 0.713E-01 0.113E+00 RMM: 3 -0.341402464349E+03 0.83811E-02 -0.10227E-02 5420 0.224E-01 0.249E-01 RMM: 4 -0.341402630167E+03 -0.16582E-03 -0.16122E-03 4899 0.962E-02 0.325E-01 RMM: 5 -0.341402091314E+03 0.53885E-03 -0.71907E-04 4608 0.723E-02 0.194E-01 RMM: 6 -0.341401913944E+03 0.17737E-03 -0.24210E-04 3892 0.402E-02 0.110E-01 RMM: 7 -0.341401949625E+03 -0.35681E-04 -0.13608E-04 3863 0.335E-02 0.136E-01 RMM: 8 -0.341401829047E+03 0.12058E-03 -0.58069E-05 3388 0.229E-02 0.412E-02 RMM: 9 -0.341401823865E+03 0.51822E-05 -0.16019E-05 2518 0.116E-02 2034 T= 6589. E= 0.70137702E+03 F= 0.64687143E+03 E0= 0.67671039E+03 EK= 0.54506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340023862264E+03 0.13780E+01 -0.19500E-01 8316 0.245E+01 0.318E-01 RMM: 2 -0.340041037014E+03 -0.17175E-01 -0.96674E-02 5078 0.731E-01 0.125E+00 RMM: 3 -0.340030694775E+03 0.10342E-01 -0.10592E-02 5454 0.225E-01 0.244E-01 RMM: 4 -0.340030724537E+03 -0.29762E-04 -0.15027E-03 4825 0.917E-02 0.293E-01 RMM: 5 -0.340030319352E+03 0.40518E-03 -0.68103E-04 4603 0.705E-02 0.194E-01 RMM: 6 -0.340030145825E+03 0.17353E-03 -0.27911E-04 3893 0.439E-02 0.114E-01 RMM: 7 -0.340030201234E+03 -0.55409E-04 -0.14951E-04 3883 0.345E-02 0.149E-01 RMM: 8 -0.340030055548E+03 0.14569E-03 -0.72920E-05 3532 0.253E-02 0.401E-02 RMM: 9 -0.340030050215E+03 0.53333E-05 -0.13067E-05 2508 0.104E-02 2035 T= 6811. E= 0.70426612E+03 F= 0.64791775E+03 E0= 0.67770427E+03 EK= 0.56348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338743583262E+03 0.12865E+01 -0.20305E-01 8304 0.248E+01 0.311E-01 RMM: 2 -0.338759424821E+03 -0.15842E-01 -0.10897E-01 5136 0.748E-01 0.106E+00 RMM: 3 -0.338751536042E+03 0.78888E-02 -0.10851E-02 5463 0.222E-01 0.251E-01 RMM: 4 -0.338751635471E+03 -0.99429E-04 -0.15227E-03 4865 0.929E-02 0.313E-01 RMM: 5 -0.338751108230E+03 0.52724E-03 -0.63232E-04 4607 0.675E-02 0.182E-01 RMM: 6 -0.338750970212E+03 0.13802E-03 -0.25868E-04 3895 0.414E-02 0.119E-01 RMM: 7 -0.338751012319E+03 -0.42107E-04 -0.14065E-04 3879 0.338E-02 0.145E-01 RMM: 8 -0.338750871779E+03 0.14054E-03 -0.62013E-05 3436 0.233E-02 0.370E-02 RMM: 9 -0.338750868529E+03 0.32504E-05 -0.14899E-05 2509 0.110E-02 2036 T= 6908. E= 0.70602640E+03 F= 0.64887769E+03 E0= 0.67861711E+03 EK= 0.57149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337594160470E+03 0.11567E+01 -0.20834E-01 8616 0.247E+01 0.346E-01 RMM: 2 -0.337615846057E+03 -0.21686E-01 -0.12448E-01 5092 0.793E-01 0.134E+00 RMM: 3 -0.337603255703E+03 0.12590E-01 -0.13320E-02 5467 0.245E-01 0.265E-01 RMM: 4 -0.337603297509E+03 -0.41806E-04 -0.18740E-03 4950 0.101E-01 0.324E-01 RMM: 5 -0.337602786342E+03 0.51117E-03 -0.66367E-04 4602 0.680E-02 0.201E-01 RMM: 6 -0.337602575790E+03 0.21055E-03 -0.25152E-04 3897 0.414E-02 0.102E-01 RMM: 7 -0.337602643507E+03 -0.67717E-04 -0.15210E-04 3892 0.337E-02 0.147E-01 RMM: 8 -0.337602501146E+03 0.14236E-03 -0.73479E-05 3521 0.253E-02 0.400E-02 RMM: 9 -0.337602494985E+03 0.61610E-05 -0.13108E-05 2510 0.103E-02 2037 T= 6840. E= 0.70629451E+03 F= 0.64970928E+03 E0= 0.67940923E+03 EK= 0.56585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336648495668E+03 0.95401E+00 -0.21872E-01 8388 0.244E+01 0.346E-01 RMM: 2 -0.336668206092E+03 -0.19710E-01 -0.14729E-01 5098 0.840E-01 0.110E+00 RMM: 3 -0.336659397724E+03 0.88084E-02 -0.14635E-02 5546 0.248E-01 0.253E-01 RMM: 4 -0.336659840837E+03 -0.44311E-03 -0.19107E-03 5027 0.103E-01 0.400E-01 RMM: 5 -0.336658867546E+03 0.97329E-03 -0.67284E-04 4608 0.678E-02 0.165E-01 RMM: 6 -0.336658742953E+03 0.12459E-03 -0.22456E-04 3892 0.381E-02 0.104E-01 RMM: 7 -0.336658803688E+03 -0.60735E-04 -0.12036E-04 3881 0.300E-02 0.144E-01 RMM: 8 -0.336658664454E+03 0.13923E-03 -0.59444E-05 3404 0.227E-02 0.355E-02 RMM: 9 -0.336658661208E+03 0.32461E-05 -0.14329E-05 2509 0.107E-02 2038 T= 6643. E= 0.70529042E+03 F= 0.65033492E+03 E0= 0.68000482E+03 EK= 0.54955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336001907993E+03 0.65676E+00 -0.21086E-01 8676 0.239E+01 0.377E-01 RMM: 2 -0.336025352524E+03 -0.23445E-01 -0.13636E-01 5195 0.814E-01 0.141E+00 RMM: 3 -0.336011410556E+03 0.13942E-01 -0.13223E-02 5477 0.248E-01 0.264E-01 RMM: 4 -0.336011909827E+03 -0.49927E-03 -0.23504E-03 5162 0.115E-01 0.415E-01 RMM: 5 -0.336010973342E+03 0.93648E-03 -0.72238E-04 4594 0.697E-02 0.200E-01 RMM: 6 -0.336010736379E+03 0.23696E-03 -0.22239E-04 3888 0.387E-02 0.833E-02 RMM: 7 -0.336010794343E+03 -0.57964E-04 -0.12525E-04 3878 0.301E-02 0.130E-01 RMM: 8 -0.336010683758E+03 0.11058E-03 -0.56510E-05 3358 0.224E-02 0.381E-02 RMM: 9 -0.336010677967E+03 0.57912E-05 -0.12334E-05 2495 0.988E-03 2039 T= 6406. E= 0.70365726E+03 F= 0.65066051E+03 E0= 0.68031154E+03 EK= 0.52997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335731841033E+03 0.27884E+00 -0.20837E-01 8736 0.234E+01 0.367E-01 RMM: 2 -0.335749863533E+03 -0.18023E-01 -0.13724E-01 5227 0.803E-01 0.108E+00 RMM: 3 -0.335741419393E+03 0.84441E-02 -0.12682E-02 5482 0.240E-01 0.264E-01 RMM: 4 -0.335742284984E+03 -0.86559E-03 -0.20208E-03 5019 0.107E-01 0.468E-01 RMM: 5 -0.335740935185E+03 0.13498E-02 -0.70867E-04 4601 0.690E-02 0.166E-01 RMM: 6 -0.335740789831E+03 0.14535E-03 -0.21914E-04 3880 0.375E-02 0.897E-02 RMM: 7 -0.335740854707E+03 -0.64876E-04 -0.10915E-04 3873 0.281E-02 0.137E-01 RMM: 8 -0.335740728024E+03 0.12668E-03 -0.51233E-05 3314 0.212E-02 0.354E-02 RMM: 9 -0.335740724813E+03 0.32117E-05 -0.15285E-05 2502 0.111E-02 2040 T= 6225. E= 0.70209660E+03 F= 0.65060286E+03 E0= 0.68024620E+03 EK= 0.51494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335895054782E+03 -0.15433E+00 -0.21218E-01 8784 0.232E+01 0.362E-01 RMM: 2 -0.335917144409E+03 -0.22090E-01 -0.15613E-01 5178 0.854E-01 0.122E+00 RMM: 3 -0.335906701978E+03 0.10442E-01 -0.14820E-02 5622 0.240E-01 0.245E-01 RMM: 4 -0.335907242515E+03 -0.54054E-03 -0.22714E-03 5109 0.114E-01 0.429E-01 RMM: 5 -0.335906210955E+03 0.10316E-02 -0.78393E-04 4576 0.733E-02 0.188E-01 RMM: 6 -0.335906010530E+03 0.20043E-03 -0.20952E-04 3897 0.370E-02 0.856E-02 RMM: 7 -0.335906051513E+03 -0.40984E-04 -0.11690E-04 3875 0.293E-02 0.121E-01 RMM: 8 -0.335905953770E+03 0.97744E-04 -0.53602E-05 3321 0.219E-02 0.343E-02 RMM: 9 -0.335905950597E+03 0.31729E-05 -0.11515E-05 2488 0.948E-03 2041 T= 6162. E= 0.70108459E+03 F= 0.65010561E+03 E0= 0.67975261E+03 EK= 0.50979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336517866849E+03 -0.61191E+00 -0.22065E-01 8772 0.232E+01 0.339E-01 RMM: 2 -0.336535350770E+03 -0.17484E-01 -0.14754E-01 5234 0.828E-01 0.936E-01 RMM: 3 -0.336528785239E+03 0.65655E-02 -0.12804E-02 5601 0.231E-01 0.245E-01 RMM: 4 -0.336529484629E+03 -0.69939E-03 -0.17950E-03 4915 0.101E-01 0.443E-01 RMM: 5 -0.336528280967E+03 0.12037E-02 -0.72747E-04 4593 0.710E-02 0.149E-01 RMM: 6 -0.336528192786E+03 0.88181E-04 -0.21325E-04 3882 0.367E-02 0.103E-01 RMM: 7 -0.336528221450E+03 -0.28663E-04 -0.10012E-04 3807 0.278E-02 0.126E-01 RMM: 8 -0.336528115999E+03 0.10545E-03 -0.47344E-05 3266 0.207E-02 0.351E-02 RMM: 9 -0.336528112912E+03 0.30870E-05 -0.13252E-05 2492 0.103E-02 2042 T= 6239. E= 0.70076300E+03 F= 0.64914893E+03 E0= 0.67880951E+03 EK= 0.51614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337578654388E+03 -0.10505E+01 -0.21954E-01 8940 0.235E+01 0.335E-01 RMM: 2 -0.337597228507E+03 -0.18574E-01 -0.13007E-01 5336 0.780E-01 0.114E+00 RMM: 3 -0.337587910057E+03 0.93184E-02 -0.10597E-02 5602 0.215E-01 0.236E-01 RMM: 4 -0.337588253371E+03 -0.34331E-03 -0.18419E-03 4837 0.103E-01 0.368E-01 RMM: 5 -0.337587504614E+03 0.74876E-03 -0.70677E-04 4600 0.706E-02 0.180E-01 RMM: 6 -0.337587349676E+03 0.15494E-03 -0.22789E-04 3895 0.389E-02 0.105E-01 RMM: 7 -0.337587376509E+03 -0.26832E-04 -0.11790E-04 3874 0.310E-02 0.128E-01 RMM: 8 -0.337587268996E+03 0.10751E-03 -0.52647E-05 3323 0.217E-02 0.349E-02 RMM: 9 -0.337587266424E+03 0.25722E-05 -0.11411E-05 2496 0.947E-03 2043 T= 6428. E= 0.70092769E+03 F= 0.64775464E+03 E0= 0.67743815E+03 EK= 0.53173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339010110808E+03 -0.14228E+01 -0.22048E-01 8964 0.239E+01 0.322E-01 RMM: 2 -0.339026929531E+03 -0.16819E-01 -0.12115E-01 5430 0.752E-01 0.107E+00 RMM: 3 -0.339018688372E+03 0.82412E-02 -0.95079E-03 5547 0.208E-01 0.245E-01 RMM: 4 -0.339018925519E+03 -0.23715E-03 -0.15643E-03 4686 0.945E-02 0.344E-01 RMM: 5 -0.339018275790E+03 0.64973E-03 -0.73983E-04 4593 0.739E-02 0.179E-01 RMM: 6 -0.339018144534E+03 0.13126E-03 -0.26040E-04 3890 0.414E-02 0.116E-01 RMM: 7 -0.339018176616E+03 -0.32082E-04 -0.12830E-04 3881 0.325E-02 0.139E-01 RMM: 8 -0.339018048608E+03 0.12801E-03 -0.57358E-05 3391 0.226E-02 0.379E-02 RMM: 9 -0.339018044625E+03 0.39832E-05 -0.13621E-05 2500 0.106E-02 2044 T= 6658. E= 0.70106480E+03 F= 0.64598885E+03 E0= 0.67570183E+03 EK= 0.55076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340705741478E+03 -0.16877E+01 -0.22887E-01 8784 0.243E+01 0.325E-01 RMM: 2 -0.340724741859E+03 -0.19000E-01 -0.12662E-01 5368 0.783E-01 0.118E+00 RMM: 3 -0.340714882963E+03 0.98589E-02 -0.10507E-02 5614 0.215E-01 0.229E-01 RMM: 4 -0.340715028842E+03 -0.14588E-03 -0.16142E-03 4744 0.968E-02 0.323E-01 RMM: 5 -0.340714442344E+03 0.58650E-03 -0.76958E-04 4594 0.760E-02 0.167E-01 RMM: 6 -0.340714380028E+03 0.62315E-04 -0.25962E-04 3900 0.414E-02 0.141E-01 RMM: 7 -0.340714351666E+03 0.28362E-04 -0.13849E-04 3876 0.350E-02 0.131E-01 RMM: 8 -0.340714239202E+03 0.11246E-03 -0.57144E-05 3379 0.225E-02 0.344E-02 RMM: 9 -0.340714239531E+03 -0.32892E-06 -0.12609E-05 2504 0.100E-02 2045 T= 6834. E= 0.70049077E+03 F= 0.64395661E+03 E0= 0.67370360E+03 EK= 0.56534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342536008381E+03 -0.18218E+01 -0.23045E-01 8820 0.245E+01 0.317E-01 RMM: 2 -0.342552563306E+03 -0.16555E-01 -0.12337E-01 5312 0.781E-01 0.104E+00 RMM: 3 -0.342545023342E+03 0.75400E-02 -0.10747E-02 5686 0.213E-01 0.238E-01 RMM: 4 -0.342545168471E+03 -0.14513E-03 -0.15304E-03 4742 0.948E-02 0.331E-01 RMM: 5 -0.342544549768E+03 0.61870E-03 -0.82618E-04 4603 0.793E-02 0.168E-01 RMM: 6 -0.342544482658E+03 0.67110E-04 -0.27080E-04 3900 0.423E-02 0.138E-01 RMM: 7 -0.342544462393E+03 0.20265E-04 -0.13583E-04 3880 0.345E-02 0.134E-01 RMM: 8 -0.342544345707E+03 0.11669E-03 -0.56617E-05 3372 0.223E-02 0.364E-02 RMM: 9 -0.342544344914E+03 0.79230E-06 -0.14508E-05 2509 0.110E-02 2046 T= 6874. E= 0.69865212E+03 F= 0.64178640E+03 E0= 0.67156744E+03 EK= 0.56866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344368338426E+03 -0.18240E+01 -0.22618E-01 8664 0.245E+01 0.331E-01 RMM: 2 -0.344384597998E+03 -0.16260E-01 -0.11551E-01 5323 0.762E-01 0.108E+00 RMM: 3 -0.344376508271E+03 0.80897E-02 -0.10016E-02 5652 0.206E-01 0.229E-01 RMM: 4 -0.344376886437E+03 -0.37817E-03 -0.17448E-03 4790 0.103E-01 0.376E-01 RMM: 5 -0.344376056652E+03 0.82978E-03 -0.86265E-04 4600 0.800E-02 0.161E-01 RMM: 6 -0.344376022396E+03 0.34256E-04 -0.27504E-04 3902 0.426E-02 0.149E-01 RMM: 7 -0.344375967889E+03 0.54507E-04 -0.13921E-04 3872 0.360E-02 0.126E-01 RMM: 8 -0.344375864760E+03 0.10313E-03 -0.52892E-05 3312 0.216E-02 0.350E-02 RMM: 9 -0.344375866288E+03 -0.15276E-05 -0.13890E-05 2507 0.107E-02 2047 T= 6752. E= 0.69546116E+03 F= 0.63960655E+03 E0= 0.66941960E+03 EK= 0.55855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346097167903E+03 -0.17213E+01 -0.21541E-01 8484 0.242E+01 0.340E-01 RMM: 2 -0.346110953394E+03 -0.13785E-01 -0.98357E-02 5358 0.700E-01 0.104E+00 RMM: 3 -0.346103620719E+03 0.73327E-02 -0.86343E-03 5533 0.198E-01 0.258E-01 RMM: 4 -0.346104208336E+03 -0.58762E-03 -0.18243E-03 4782 0.106E-01 0.419E-01 RMM: 5 -0.346103223815E+03 0.98452E-03 -0.87098E-04 4608 0.803E-02 0.193E-01 RMM: 6 -0.346103037169E+03 0.18665E-03 -0.26237E-04 3894 0.417E-02 0.105E-01 RMM: 7 -0.346103057227E+03 -0.20059E-04 -0.13373E-04 3874 0.341E-02 0.129E-01 RMM: 8 -0.346102950632E+03 0.10660E-03 -0.54744E-05 3352 0.222E-02 0.343E-02 RMM: 9 -0.346102950395E+03 0.23657E-06 -0.15058E-05 2505 0.114E-02 2048 T= 6512. E= 0.69138912E+03 F= 0.63751886E+03 E0= 0.66735851E+03 EK= 0.53870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347652172957E+03 -0.15492E+01 -0.19999E-01 8328 0.237E+01 0.346E-01 RMM: 2 -0.347662758943E+03 -0.10586E-01 -0.82973E-02 5348 0.641E-01 0.894E-01 RMM: 3 -0.347657178161E+03 0.55808E-02 -0.70721E-03 5438 0.181E-01 0.254E-01 RMM: 4 -0.347658115977E+03 -0.93782E-03 -0.20332E-03 4870 0.114E-01 0.472E-01 RMM: 5 -0.347656673064E+03 0.14429E-02 -0.93313E-04 4601 0.816E-02 0.133E-01 RMM: 6 -0.347656669701E+03 0.33628E-05 -0.23119E-04 3892 0.389E-02 0.139E-01 RMM: 7 -0.347656612663E+03 0.57038E-04 -0.11143E-04 3848 0.324E-02 0.112E-01 RMM: 8 -0.347656530519E+03 0.82144E-04 -0.40410E-05 3135 0.192E-02 0.309E-02 RMM: 9 -0.347656534479E+03 -0.39604E-05 -0.13712E-05 2500 0.106E-02 2049 T= 6242. E= 0.68722407E+03 F= 0.63558971E+03 E0= 0.66544929E+03 EK= 0.51634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348996262566E+03 -0.13397E+01 -0.18119E-01 8100 0.233E+01 0.363E-01 RMM: 2 -0.349005605232E+03 -0.93427E-02 -0.70911E-02 5291 0.604E-01 0.924E-01 RMM: 3 -0.349000025459E+03 0.55798E-02 -0.66840E-03 5419 0.180E-01 0.276E-01 RMM: 4 -0.349001109837E+03 -0.10844E-02 -0.21199E-03 4947 0.116E-01 0.508E-01 RMM: 5 -0.348999577530E+03 0.15323E-02 -0.98912E-04 4608 0.855E-02 0.184E-01 RMM: 6 -0.348999395605E+03 0.18193E-03 -0.24671E-04 3899 0.406E-02 0.936E-02 RMM: 7 -0.348999424203E+03 -0.28598E-04 -0.11744E-04 3854 0.320E-02 0.126E-01 RMM: 8 -0.348999322548E+03 0.10165E-03 -0.50840E-05 3319 0.216E-02 0.344E-02 RMM: 9 -0.348999323313E+03 -0.76423E-06 -0.15037E-05 2513 0.114E-02 2050 T= 6027. E= 0.68371657E+03 F= 0.63385613E+03 E0= 0.66372746E+03 EK= 0.49860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350112340822E+03 -0.11130E+01 -0.17044E-01 8268 0.230E+01 0.368E-01 RMM: 2 -0.350121233640E+03 -0.88928E-02 -0.63778E-02 5224 0.580E-01 0.934E-01 RMM: 3 -0.350115486313E+03 0.57473E-02 -0.63894E-03 5395 0.178E-01 0.264E-01 RMM: 4 -0.350116718544E+03 -0.12322E-02 -0.22959E-03 5003 0.121E-01 0.521E-01 RMM: 5 -0.350115004713E+03 0.17138E-02 -0.10318E-03 4608 0.866E-02 0.153E-01 RMM: 6 -0.350114926935E+03 0.77779E-04 -0.23445E-04 3889 0.390E-02 0.119E-01 RMM: 7 -0.350114900936E+03 0.25999E-04 -0.11190E-04 3847 0.324E-02 0.112E-01 RMM: 8 -0.350114821219E+03 0.79717E-04 -0.41897E-05 3173 0.196E-02 0.342E-02 RMM: 9 -0.350114824115E+03 -0.28966E-05 -0.14552E-05 2508 0.111E-02 2051 T= 5926. E= 0.68135959E+03 F= 0.63233703E+03 E0= 0.66221304E+03 EK= 0.49023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350987986129E+03 -0.87316E+00 -0.16507E-01 8268 0.230E+01 0.374E-01 RMM: 2 -0.350998693376E+03 -0.10707E-01 -0.57404E-02 5236 0.569E-01 0.113E+00 RMM: 3 -0.350990503618E+03 0.81898E-02 -0.67304E-03 5372 0.189E-01 0.274E-01 RMM: 4 -0.350991595444E+03 -0.10918E-02 -0.22652E-03 5074 0.119E-01 0.506E-01 RMM: 5 -0.350990139506E+03 0.14559E-02 -0.10489E-03 4604 0.889E-02 0.211E-01 RMM: 6 -0.350989879058E+03 0.26045E-03 -0.27318E-04 3915 0.431E-02 0.915E-02 RMM: 7 -0.350989914668E+03 -0.35610E-04 -0.13903E-04 3857 0.348E-02 0.130E-01 RMM: 8 -0.350989807308E+03 0.10736E-03 -0.56125E-05 3380 0.228E-02 0.346E-02 RMM: 9 -0.350989808669E+03 -0.13612E-05 -0.15766E-05 2519 0.118E-02 2052 T= 5958. E= 0.68034262E+03 F= 0.63105009E+03 E0= 0.66092333E+03 EK= 0.49293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351600242879E+03 -0.61044E+00 -0.16720E-01 7800 0.232E+01 0.362E-01 RMM: 2 -0.351610401710E+03 -0.10159E-01 -0.54401E-02 5247 0.560E-01 0.109E+00 RMM: 3 -0.351602727133E+03 0.76746E-02 -0.63422E-03 5366 0.183E-01 0.266E-01 RMM: 4 -0.351603709280E+03 -0.98215E-03 -0.22956E-03 5034 0.122E-01 0.484E-01 RMM: 5 -0.351602308994E+03 0.14003E-02 -0.10699E-03 4608 0.890E-02 0.184E-01 RMM: 6 -0.351602163485E+03 0.14551E-03 -0.26942E-04 3893 0.425E-02 0.120E-01 RMM: 7 -0.351602146933E+03 0.16553E-04 -0.14360E-04 3853 0.370E-02 2053 T= 6111. E= 0.68057354E+03 F= 0.63002265E+03 E0= 0.65988616E+03 EK= 0.50551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351915644792E+03 -0.31348E+00 -0.17010E-01 8184 0.236E+01 0.393E-01 RMM: 2 -0.351924541930E+03 -0.88971E-02 -0.55431E-02 5273 0.582E-01 0.103E+00 RMM: 3 -0.351917968572E+03 0.65734E-02 -0.60678E-03 5367 0.180E-01 0.297E-01 RMM: 4 -0.351919039671E+03 -0.10711E-02 -0.25494E-03 4996 0.130E-01 0.526E-01 RMM: 5 -0.351917366889E+03 0.16728E-02 -0.14926E-03 4613 0.107E-01 0.183E-01 RMM: 6 -0.351917280942E+03 0.85947E-04 -0.30631E-04 3911 0.457E-02 0.154E-01 RMM: 7 -0.351917170063E+03 0.11088E-03 -0.21642E-04 3882 0.461E-02 0.108E-01 RMM: 8 -0.351917099384E+03 0.70678E-04 -0.60740E-05 3390 0.236E-02 0.448E-02 RMM: 9 -0.351917113896E+03 -0.14512E-04 -0.22831E-05 2581 0.140E-02 2054 T= 6334. E= 0.68169656E+03 F= 0.62929384E+03 E0= 0.65914017E+03 EK= 0.52403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351893743945E+03 0.23355E-01 -0.17261E-01 8172 0.240E+01 0.287E-01 RMM: 2 -0.351901242391E+03 -0.74984E-02 -0.52035E-02 5230 0.562E-01 0.834E-01 RMM: 3 -0.351896807976E+03 0.44344E-02 -0.52042E-03 5371 0.161E-01 0.218E-01 RMM: 4 -0.351897300899E+03 -0.49292E-03 -0.13501E-03 4650 0.932E-02 0.372E-01 RMM: 5 -0.351896496829E+03 0.80407E-03 -0.84989E-04 4600 0.822E-02 0.155E-01 RMM: 6 -0.351896417473E+03 0.79355E-04 -0.25424E-04 3901 0.419E-02 0.115E-01 RMM: 7 -0.351896395991E+03 0.21483E-04 -0.11031E-04 3827 0.332E-02 0.107E-01 RMM: 8 -0.351896320398E+03 0.75593E-04 -0.34256E-05 3050 0.181E-02 0.260E-02 RMM: 9 -0.351896318992E+03 0.14054E-05 -0.73257E-06 2453 0.814E-03 2055 T= 6556. E= 0.68313651E+03 F= 0.62890438E+03 E0= 0.65872722E+03 EK= 0.54232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351508356224E+03 0.38796E+00 -0.17787E-01 7932 0.243E+01 0.373E-01 RMM: 2 -0.351516294358E+03 -0.79381E-02 -0.59566E-02 5262 0.615E-01 0.917E-01 RMM: 3 -0.351511161440E+03 0.51329E-02 -0.63310E-03 5375 0.181E-01 0.280E-01 RMM: 4 -0.351512056017E+03 -0.89458E-03 -0.20451E-03 4952 0.116E-01 0.489E-01 RMM: 5 -0.351510670374E+03 0.13856E-02 -0.12518E-03 4613 0.979E-02 0.206E-01 RMM: 6 -0.351510496256E+03 0.17412E-03 -0.37675E-04 4098 0.508E-02 0.139E-01 RMM: 7 -0.351510467399E+03 0.28857E-04 -0.18703E-04 3881 0.419E-02 0.137E-01 RMM: 8 -0.351510347585E+03 0.11981E-03 -0.59698E-05 3409 0.235E-02 0.413E-02 RMM: 9 -0.351510349013E+03 -0.14283E-05 -0.22411E-05 2623 0.141E-02 2056 T= 6693. E= 0.68425408E+03 F= 0.62888358E+03 E0= 0.65867660E+03 EK= 0.55370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350755963494E+03 0.75438E+00 -0.18229E-01 7596 0.244E+01 0.341E-01 RMM: 2 -0.350767000101E+03 -0.11037E-01 -0.60295E-02 5167 0.614E-01 0.109E+00 RMM: 3 -0.350759172351E+03 0.78277E-02 -0.67590E-03 5368 0.187E-01 0.224E-01 RMM: 4 -0.350760008271E+03 -0.83592E-03 -0.19935E-03 4964 0.115E-01 0.450E-01 RMM: 5 -0.350758830304E+03 0.11780E-02 -0.98623E-04 4608 0.865E-02 0.169E-01 RMM: 6 -0.350758754412E+03 0.75892E-04 -0.27736E-04 3897 0.431E-02 0.140E-01 RMM: 7 -0.350758682350E+03 0.72062E-04 -0.15610E-04 3851 0.394E-02 0.107E-01 RMM: 8 -0.350758609041E+03 0.73309E-04 -0.43702E-05 3196 0.203E-02 0.345E-02 RMM: 9 -0.350758612850E+03 -0.38085E-05 -0.14248E-05 2514 0.111E-02 2057 T= 6694. E= 0.68461066E+03 F= 0.62923002E+03 E0= 0.65898736E+03 EK= 0.55381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349681051238E+03 0.10776E+01 -0.18417E-01 7596 0.243E+01 0.364E-01 RMM: 2 -0.349688898453E+03 -0.78472E-02 -0.57990E-02 5186 0.591E-01 0.897E-01 RMM: 3 -0.349683756121E+03 0.51423E-02 -0.60691E-03 5355 0.178E-01 0.274E-01 RMM: 4 -0.349684907889E+03 -0.11518E-02 -0.21130E-03 5101 0.118E-01 0.517E-01 RMM: 5 -0.349683267215E+03 0.16407E-02 -0.10425E-03 4604 0.888E-02 0.175E-01 RMM: 6 -0.349683145744E+03 0.12147E-03 -0.27745E-04 3913 0.434E-02 0.122E-01 RMM: 7 -0.349683130712E+03 0.15033E-04 -0.13264E-04 3854 0.351E-02 2058 T= 6563. E= 0.68419486E+03 F= 0.62989889E+03 E0= 0.65961621E+03 EK= 0.54296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348364504576E+03 0.13186E+01 -0.17983E-01 7548 0.240E+01 0.426E-01 RMM: 2 -0.348372173152E+03 -0.76686E-02 -0.60581E-02 5112 0.613E-01 0.924E-01 RMM: 3 -0.348367007857E+03 0.51653E-02 -0.73518E-03 5346 0.197E-01 0.335E-01 RMM: 4 -0.348368475154E+03 -0.14673E-02 -0.26662E-03 5142 0.130E-01 0.599E-01 RMM: 5 -0.348366168333E+03 0.23068E-02 -0.13933E-03 4614 0.102E-01 0.157E-01 RMM: 6 -0.348366157763E+03 0.10570E-04 -0.29734E-04 3919 0.442E-02 0.163E-01 RMM: 7 -0.348366050894E+03 0.10687E-03 -0.15059E-04 3863 0.380E-02 0.119E-01 RMM: 8 -0.348365962693E+03 0.88201E-04 -0.58885E-05 3376 0.226E-02 0.438E-02 RMM: 9 -0.348365975859E+03 -0.13166E-04 -0.27637E-05 2809 0.150E-02 2059 T= 6359. E= 0.68341310E+03 F= 0.63080604E+03 E0= 0.66048085E+03 EK= 0.52607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346910730077E+03 0.14552E+01 -0.17708E-01 7632 0.236E+01 0.337E-01 RMM: 2 -0.346917263691E+03 -0.65336E-02 -0.61680E-02 5025 0.599E-01 0.711E-01 RMM: 3 -0.346914099379E+03 0.31643E-02 -0.64721E-03 5388 0.180E-01 0.281E-01 RMM: 4 -0.346915017465E+03 -0.91809E-03 -0.17485E-03 5009 0.106E-01 0.480E-01 RMM: 5 -0.346913542956E+03 0.14745E-02 -0.80811E-04 4592 0.774E-02 0.118E-01 RMM: 6 -0.346913503528E+03 0.39428E-04 -0.16925E-04 3883 0.338E-02 0.977E-02 RMM: 7 -0.346913488754E+03 0.14774E-04 -0.55801E-05 3359 0.231E-02 2060 T= 6166. E= 0.68285489E+03 F= 0.63184483E+03 E0= 0.66147655E+03 EK= 0.51010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345437289160E+03 0.14762E+01 -0.17462E-01 7620 0.234E+01 0.448E-01 RMM: 2 -0.345445150109E+03 -0.78609E-02 -0.63358E-02 5252 0.623E-01 0.963E-01 RMM: 3 -0.345439644324E+03 0.55058E-02 -0.73353E-03 5369 0.198E-01 0.365E-01 RMM: 4 -0.345441101575E+03 -0.14573E-02 -0.28059E-03 5219 0.133E-01 0.612E-01 RMM: 5 -0.345438732550E+03 0.23690E-02 -0.13650E-03 4609 0.101E-01 0.188E-01 RMM: 6 -0.345438590393E+03 0.14216E-03 -0.29692E-04 3953 0.447E-02 0.135E-01 RMM: 7 -0.345438582646E+03 0.77474E-05 -0.15660E-04 3875 0.360E-02 2061 T= 6059. E= 0.68302759E+03 F= 0.63290427E+03 E0= 0.66249448E+03 EK= 0.50123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344044996101E+03 0.13936E+01 -0.17271E-01 7728 0.233E+01 0.402E-01 RMM: 2 -0.344053006153E+03 -0.80101E-02 -0.66102E-02 5195 0.631E-01 0.892E-01 RMM: 3 -0.344048172053E+03 0.48341E-02 -0.74561E-03 5378 0.197E-01 0.320E-01 RMM: 4 -0.344049433249E+03 -0.12612E-02 -0.21877E-03 5075 0.117E-01 0.550E-01 RMM: 5 -0.344047543417E+03 0.18898E-02 -0.10577E-03 4607 0.884E-02 0.186E-01 RMM: 6 -0.344047365875E+03 0.17754E-03 -0.30014E-04 3950 0.449E-02 0.106E-01 RMM: 7 -0.344047398913E+03 -0.33038E-04 -0.11217E-04 3858 0.312E-02 0.135E-01 RMM: 8 -0.344047277479E+03 0.12143E-03 -0.48650E-05 3290 0.211E-02 0.421E-02 RMM: 9 -0.344047277419E+03 0.59963E-07 -0.23202E-05 2695 0.138E-02 2062 T= 6082. E= 0.68419869E+03 F= 0.63388199E+03 E0= 0.66343456E+03 EK= 0.50317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342829548058E+03 0.12177E+01 -0.17084E-01 7812 0.234E+01 0.349E-01 RMM: 2 -0.342838011379E+03 -0.84633E-02 -0.63959E-02 5278 0.597E-01 0.889E-01 RMM: 3 -0.342832848791E+03 0.51626E-02 -0.61905E-03 5417 0.176E-01 0.255E-01 RMM: 4 -0.342834104524E+03 -0.12557E-02 -0.17264E-03 4820 0.105E-01 0.519E-01 RMM: 5 -0.342832350148E+03 0.17544E-02 -0.82997E-04 4605 0.784E-02 0.106E-01 RMM: 6 -0.342832362609E+03 -0.12461E-04 -0.18317E-04 3886 0.345E-02 2063 T= 6243. E= 0.68633630E+03 F= 0.63468925E+03 E0= 0.66420956E+03 EK= 0.51647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341867335910E+03 0.96501E+00 -0.17279E-01 8016 0.238E+01 0.464E-01 RMM: 2 -0.341895500113E+03 -0.28164E-01 -0.77015E-02 5320 0.688E-01 0.192E+00 RMM: 3 -0.341870759584E+03 0.24741E-01 -0.12501E-02 5340 0.276E-01 0.335E-01 RMM: 4 -0.341871127221E+03 -0.36764E-03 -0.27909E-03 5282 0.126E-01 0.439E-01 RMM: 5 -0.341870284280E+03 0.84294E-03 -0.13085E-03 4608 0.978E-02 0.296E-01 RMM: 6 -0.341869784084E+03 0.50020E-03 -0.50999E-04 4453 0.597E-02 0.127E-01 RMM: 7 -0.341869879787E+03 -0.95703E-04 -0.20065E-04 3888 0.387E-02 0.183E-01 RMM: 8 -0.341869656958E+03 0.22283E-03 -0.11761E-04 3839 0.332E-02 0.509E-02 RMM: 9 -0.341869654947E+03 0.20110E-05 -0.28695E-05 2906 0.158E-02 2064 T= 6506. E= 0.68907178E+03 F= 0.63525320E+03 E0= 0.66474452E+03 EK= 0.53819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341212119767E+03 0.65754E+00 -0.17825E-01 7812 0.242E+01 0.429E-01 RMM: 2 -0.341241894205E+03 -0.29774E-01 -0.77977E-02 5291 0.692E-01 0.196E+00 RMM: 3 -0.341216126112E+03 0.25768E-01 -0.13221E-02 5342 0.285E-01 0.358E-01 RMM: 4 -0.341215909292E+03 0.21682E-03 -0.24739E-03 5171 0.116E-01 0.333E-01 RMM: 5 -0.341215645318E+03 0.26397E-03 -0.85821E-04 4605 0.796E-02 0.288E-01 RMM: 6 -0.341215110058E+03 0.53526E-03 -0.31295E-04 3914 0.475E-02 0.809E-02 RMM: 7 -0.341215175843E+03 -0.65785E-04 -0.14508E-04 3881 0.331E-02 0.133E-01 RMM: 8 -0.341215062829E+03 0.11301E-03 -0.62422E-05 3443 0.239E-02 0.446E-02 RMM: 9 -0.341215051550E+03 0.11278E-04 -0.11657E-05 2509 0.101E-02 2065 T= 6791. E= 0.69169717E+03 F= 0.63551844E+03 E0= 0.66498762E+03 EK= 0.56179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340897311223E+03 0.31775E+00 -0.18165E-01 8292 0.246E+01 0.422E-01 RMM: 2 -0.340923326653E+03 -0.26015E-01 -0.82947E-02 5311 0.717E-01 0.180E+00 RMM: 3 -0.340901853181E+03 0.21473E-01 -0.12051E-02 5364 0.266E-01 0.317E-01 RMM: 4 -0.340901909970E+03 -0.56789E-04 -0.23415E-03 5143 0.114E-01 0.365E-01 RMM: 5 -0.340901510141E+03 0.39983E-03 -0.11462E-03 4610 0.939E-02 0.297E-01 RMM: 6 -0.340900963105E+03 0.54704E-03 -0.39895E-04 4102 0.525E-02 0.972E-02 RMM: 7 -0.340901051877E+03 -0.88772E-04 -0.19594E-04 3890 0.398E-02 0.159E-01 RMM: 8 -0.340900882744E+03 0.16913E-03 -0.87241E-05 3659 0.282E-02 0.417E-02 RMM: 9 -0.340900880649E+03 0.20945E-05 -0.18330E-05 2559 0.127E-02 2066 T= 6995. E= 0.69331577E+03 F= 0.63545033E+03 E0= 0.66490111E+03 EK= 0.57865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340927136180E+03 -0.26253E-01 -0.18640E-01 8340 0.247E+01 0.384E-01 RMM: 2 -0.340945753076E+03 -0.18617E-01 -0.86641E-02 5169 0.729E-01 0.143E+00 RMM: 3 -0.340932443661E+03 0.13309E-01 -0.10862E-02 5379 0.241E-01 0.283E-01 RMM: 4 -0.340932740060E+03 -0.29640E-03 -0.20653E-03 5024 0.109E-01 0.379E-01 RMM: 5 -0.340932029667E+03 0.71039E-03 -0.98522E-04 4608 0.862E-02 0.222E-01 RMM: 6 -0.340931757576E+03 0.27209E-03 -0.31129E-04 3911 0.465E-02 0.108E-01 RMM: 7 -0.340931804301E+03 -0.46726E-04 -0.14652E-04 3866 0.358E-02 0.146E-01 RMM: 8 -0.340931665225E+03 0.13908E-03 -0.67819E-05 3487 0.244E-02 0.374E-02 RMM: 9 -0.340931664460E+03 0.76492E-06 -0.16320E-05 2528 0.120E-02 2067 T= 7032. E= 0.69321148E+03 F= 0.63503961E+03 E0= 0.66447461E+03 EK= 0.58172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341275849210E+03 -0.34418E+00 -0.18782E-01 8172 0.246E+01 0.374E-01 RMM: 2 -0.341292311504E+03 -0.16462E-01 -0.90651E-02 5043 0.737E-01 0.127E+00 RMM: 3 -0.341281613351E+03 0.10698E-01 -0.10633E-02 5390 0.231E-01 0.271E-01 RMM: 4 -0.341282216622E+03 -0.60327E-03 -0.22700E-03 5151 0.118E-01 0.432E-01 RMM: 5 -0.341281272528E+03 0.94409E-03 -0.10668E-03 4608 0.901E-02 0.233E-01 RMM: 6 -0.341280957038E+03 0.31549E-03 -0.31179E-04 3923 0.461E-02 0.986E-02 RMM: 7 -0.341280991146E+03 -0.34108E-04 -0.15169E-04 3890 0.361E-02 0.131E-01 RMM: 8 -0.341280875572E+03 0.11557E-03 -0.63170E-05 3435 0.239E-02 0.341E-02 RMM: 9 -0.341280877789E+03 -0.22171E-05 -0.17226E-05 2534 0.123E-02 2068 T= 6884. E= 0.69125851E+03 F= 0.63430689E+03 E0= 0.66372645E+03 EK= 0.56952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341890618849E+03 -0.60974E+00 -0.18238E-01 8208 0.242E+01 0.364E-01 RMM: 2 -0.341901429548E+03 -0.10811E-01 -0.79914E-02 5040 0.687E-01 0.956E-01 RMM: 3 -0.341895455549E+03 0.59740E-02 -0.89368E-03 5393 0.208E-01 0.271E-01 RMM: 4 -0.341896400867E+03 -0.94532E-03 -0.21554E-03 5108 0.117E-01 0.486E-01 RMM: 5 -0.341894926012E+03 0.14749E-02 -0.10675E-03 4608 0.894E-02 0.150E-01 RMM: 6 -0.341894861802E+03 0.64210E-04 -0.22981E-04 3897 0.392E-02 0.123E-01 RMM: 7 -0.341894820123E+03 0.41679E-04 -0.11531E-04 3839 0.330E-02 0.109E-01 RMM: 8 -0.341894743738E+03 0.76385E-04 -0.42560E-05 3214 0.196E-02 0.335E-02 RMM: 9 -0.341894747564E+03 -0.38259E-05 -0.15439E-05 2515 0.115E-02 2069 T= 6613. E= 0.68800948E+03 F= 0.63330037E+03 E0= 0.66270418E+03 EK= 0.54709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342698247514E+03 -0.80350E+00 -0.17548E-01 7992 0.238E+01 0.377E-01 RMM: 2 -0.342709055865E+03 -0.10808E-01 -0.81302E-02 4946 0.686E-01 0.956E-01 RMM: 3 -0.342703077344E+03 0.59785E-02 -0.93606E-03 5425 0.209E-01 0.274E-01 RMM: 4 -0.342704179369E+03 -0.11020E-02 -0.24165E-03 5226 0.125E-01 0.512E-01 RMM: 5 -0.342702628465E+03 0.15509E-02 -0.11135E-03 4608 0.916E-02 0.198E-01 RMM: 6 -0.342702409040E+03 0.21943E-03 -0.26908E-04 3912 0.427E-02 0.960E-02 RMM: 7 -0.342702438694E+03 -0.29654E-04 -0.13142E-04 3876 0.338E-02 0.126E-01 RMM: 8 -0.342702330803E+03 0.10789E-03 -0.53882E-05 3338 0.224E-02 0.327E-02 RMM: 9 -0.342702335181E+03 -0.43782E-05 -0.17709E-05 2533 0.124E-02 2070 T= 6320. E= 0.68437291E+03 F= 0.63208731E+03 E0= 0.66147393E+03 EK= 0.52286E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343622740376E+03 -0.92041E+00 -0.16170E-01 8076 0.234E+01 0.373E-01 RMM: 2 -0.343630849546E+03 -0.81092E-02 -0.64221E-02 5078 0.601E-01 0.859E-01 RMM: 3 -0.343626052665E+03 0.47969E-02 -0.70427E-03 5371 0.185E-01 0.286E-01 RMM: 4 -0.343627186116E+03 -0.11335E-02 -0.24131E-03 5158 0.127E-01 0.523E-01 RMM: 5 -0.343625435796E+03 0.17503E-02 -0.11360E-03 4608 0.915E-02 0.133E-01 RMM: 6 -0.343625415911E+03 0.19885E-04 -0.22024E-04 3900 0.383E-02 0.130E-01 RMM: 7 -0.343625338688E+03 0.77223E-04 -0.11379E-04 3846 0.334E-02 0.917E-02 RMM: 8 -0.343625286497E+03 0.52192E-04 -0.32031E-05 3007 0.175E-02 0.346E-02 RMM: 9 -0.343625291570E+03 -0.50732E-05 -0.16714E-05 2516 0.119E-02 2071 T= 6097. E= 0.68118753E+03 F= 0.63074516E+03 E0= 0.66011327E+03 EK= 0.50442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344584652332E+03 -0.95937E+00 -0.15728E-01 8112 0.232E+01 0.375E-01 RMM: 2 -0.344593416606E+03 -0.87643E-02 -0.68316E-02 5002 0.621E-01 0.886E-01 RMM: 3 -0.344588244229E+03 0.51724E-02 -0.78319E-03 5377 0.195E-01 0.280E-01 RMM: 4 -0.344589451945E+03 -0.12077E-02 -0.24382E-03 5190 0.126E-01 0.530E-01 RMM: 5 -0.344587735810E+03 0.17161E-02 -0.11642E-03 4604 0.939E-02 0.178E-01 RMM: 6 -0.344587579654E+03 0.15616E-03 -0.26105E-04 3910 0.420E-02 0.107E-01 RMM: 7 -0.344587578899E+03 0.75513E-06 -0.14893E-04 3870 0.372E-02 2072 T= 6000. E= 0.67898438E+03 F= 0.62935204E+03 E0= 0.65869966E+03 EK= 0.49632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345512597083E+03 -0.92502E+00 -0.15745E-01 7956 0.233E+01 0.408E-01 RMM: 2 -0.345517710092E+03 -0.51130E-02 -0.63477E-02 5072 0.592E-01 0.608E-01 RMM: 3 -0.345515837619E+03 0.18725E-02 -0.69194E-03 5401 0.182E-01 0.389E-01 RMM: 4 -0.345516858676E+03 -0.10211E-02 -0.27929E-03 5070 0.141E-01 0.582E-01 RMM: 5 -0.345514709584E+03 0.21491E-02 -0.14563E-03 4614 0.103E-01 0.139E-01 RMM: 6 -0.345514762226E+03 -0.52643E-04 -0.33898E-04 4014 0.484E-02 0.181E-01 RMM: 7 -0.345514593540E+03 0.16869E-03 -0.21018E-04 3872 0.455E-02 0.102E-01 RMM: 8 -0.345514532610E+03 0.60930E-04 -0.50174E-05 3251 0.216E-02 0.471E-02 RMM: 9 -0.345514541579E+03 -0.89694E-05 -0.32600E-05 2800 0.166E-02 2073 T= 6040. E= 0.67795501E+03 F= 0.62798675E+03 E0= 0.65731295E+03 EK= 0.49968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346330222131E+03 -0.81569E+00 -0.15956E-01 8160 0.235E+01 0.301E-01 RMM: 2 -0.346338690519E+03 -0.84684E-02 -0.61729E-02 5118 0.583E-01 0.840E-01 RMM: 3 -0.346333967834E+03 0.47227E-02 -0.66774E-03 5434 0.175E-01 0.209E-01 RMM: 4 -0.346334681121E+03 -0.71329E-03 -0.16304E-03 4774 0.105E-01 0.415E-01 RMM: 5 -0.346333609906E+03 0.10712E-02 -0.84007E-04 4612 0.806E-02 0.133E-01 RMM: 6 -0.346333591043E+03 0.18863E-04 -0.25698E-04 3893 0.419E-02 0.132E-01 RMM: 7 -0.346333529794E+03 0.61249E-04 -0.12798E-04 3838 0.355E-02 0.999E-02 RMM: 8 -0.346333463691E+03 0.66102E-04 -0.31571E-05 2991 0.176E-02 0.249E-02 RMM: 9 -0.346333464629E+03 -0.93772E-06 -0.97941E-06 2466 0.951E-03 2074 T= 6196. E= 0.67798579E+03 F= 0.62672680E+03 E0= 0.65602897E+03 EK= 0.51259E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346973315816E+03 -0.63985E+00 -0.16476E-01 8220 0.239E+01 0.382E-01 RMM: 2 -0.346980002608E+03 -0.66868E-02 -0.67891E-02 5178 0.616E-01 0.730E-01 RMM: 3 -0.346976864653E+03 0.31380E-02 -0.71814E-03 5466 0.179E-01 0.311E-01 RMM: 4 -0.346977954979E+03 -0.10903E-02 -0.25604E-03 5091 0.135E-01 0.543E-01 RMM: 5 -0.346976096392E+03 0.18586E-02 -0.13209E-03 4617 0.982E-02 0.160E-01 RMM: 6 -0.346976088856E+03 0.75363E-05 -0.38298E-04 4077 0.514E-02 0.171E-01 RMM: 7 -0.346975947626E+03 0.14123E-03 -0.21633E-04 3872 0.463E-02 0.107E-01 RMM: 8 -0.346975877112E+03 0.70514E-04 -0.43446E-05 3157 0.204E-02 0.430E-02 RMM: 9 -0.346975881663E+03 -0.45515E-05 -0.29360E-05 2721 0.162E-02 2075 T= 6413. E= 0.67869376E+03 F= 0.62564438E+03 E0= 0.65492127E+03 EK= 0.53049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347382538231E+03 -0.40666E+00 -0.16928E-01 8172 0.243E+01 0.336E-01 RMM: 2 -0.347392067326E+03 -0.95291E-02 -0.68814E-02 5233 0.622E-01 0.922E-01 RMM: 3 -0.347386460861E+03 0.56065E-02 -0.69695E-03 5462 0.179E-01 0.229E-01 RMM: 4 -0.347387222727E+03 -0.76187E-03 -0.19997E-03 4941 0.118E-01 0.446E-01 RMM: 5 -0.347386026341E+03 0.11964E-02 -0.10503E-03 4608 0.892E-02 0.154E-01 RMM: 6 -0.347386022657E+03 0.36840E-05 -0.32148E-04 3909 0.468E-02 0.164E-01 RMM: 7 -0.347385908555E+03 0.11410E-03 -0.18879E-04 3872 0.428E-02 0.114E-01 RMM: 8 -0.347385824981E+03 0.83574E-04 -0.50132E-05 3265 0.216E-02 0.340E-02 RMM: 9 -0.347385829998E+03 -0.50171E-05 -0.20467E-05 2543 0.137E-02 2076 T= 6613. E= 0.67950149E+03 F= 0.62479707E+03 E0= 0.65404533E+03 EK= 0.54704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347528576435E+03 -0.14275E+00 -0.17548E-01 8304 0.245E+01 0.364E-01 RMM: 2 -0.347536230662E+03 -0.76542E-02 -0.67351E-02 5278 0.606E-01 0.811E-01 RMM: 3 -0.347532037556E+03 0.41931E-02 -0.63358E-03 5470 0.170E-01 0.265E-01 RMM: 4 -0.347533049849E+03 -0.10123E-02 -0.23238E-03 4985 0.128E-01 0.504E-01 RMM: 5 -0.347531457815E+03 0.15920E-02 -0.11682E-03 4611 0.931E-02 0.156E-01 RMM: 6 -0.347531448824E+03 0.89907E-05 -0.34436E-04 3948 0.485E-02 0.163E-01 RMM: 7 -0.347531334317E+03 0.11451E-03 -0.17548E-04 3871 0.420E-02 0.110E-01 RMM: 8 -0.347531255952E+03 0.78366E-04 -0.43900E-05 3167 0.202E-02 0.377E-02 RMM: 9 -0.347531259356E+03 -0.34040E-05 -0.21870E-05 2552 0.139E-02 2077 T= 6721. E= 0.67981948E+03 F= 0.62421611E+03 E0= 0.65343302E+03 EK= 0.55603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347414768802E+03 0.11649E+00 -0.17807E-01 8268 0.245E+01 0.377E-01 RMM: 2 -0.347424190908E+03 -0.94221E-02 -0.74975E-02 5123 0.648E-01 0.916E-01 RMM: 3 -0.347418744505E+03 0.54464E-02 -0.79826E-03 5462 0.192E-01 0.263E-01 RMM: 4 -0.347419871284E+03 -0.11268E-02 -0.24157E-03 5121 0.127E-01 0.520E-01 RMM: 5 -0.347418210756E+03 0.16605E-02 -0.11156E-03 4608 0.906E-02 0.162E-01 RMM: 6 -0.347418127972E+03 0.82784E-04 -0.28172E-04 3909 0.434E-02 0.130E-01 RMM: 7 -0.347418100395E+03 0.27577E-04 -0.14628E-04 3865 0.365E-02 0.125E-01 RMM: 8 -0.347417997528E+03 0.10287E-03 -0.53737E-05 3332 0.223E-02 0.334E-02 RMM: 9 -0.347418002183E+03 -0.46548E-05 -0.18663E-05 2538 0.128E-02 2078 T= 6698. E= 0.67930701E+03 F= 0.62389306E+03 E0= 0.65307471E+03 EK= 0.55414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347089176975E+03 0.32882E+00 -0.17772E-01 8112 0.242E+01 0.396E-01 RMM: 2 -0.347097022926E+03 -0.78460E-02 -0.76228E-02 5099 0.645E-01 0.794E-01 RMM: 3 -0.347093138750E+03 0.38842E-02 -0.79573E-03 5473 0.190E-01 0.311E-01 RMM: 4 -0.347094309540E+03 -0.11708E-02 -0.24647E-03 5157 0.128E-01 0.544E-01 RMM: 5 -0.347092407932E+03 0.19016E-02 -0.11571E-03 4614 0.920E-02 0.156E-01 RMM: 6 -0.347092326520E+03 0.81412E-04 -0.28168E-04 3930 0.433E-02 0.123E-01 RMM: 7 -0.347092301355E+03 0.25165E-04 -0.11907E-04 3863 0.334E-02 0.117E-01 RMM: 8 -0.347092209850E+03 0.91506E-04 -0.45462E-05 3210 0.203E-02 0.356E-02 RMM: 9 -0.347092212492E+03 -0.26428E-05 -0.18195E-05 2530 0.124E-02 2079 T= 6560. E= 0.67804598E+03 F= 0.62377862E+03 E0= 0.65292175E+03 EK= 0.54267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346626086166E+03 0.46612E+00 -0.17231E-01 7992 0.238E+01 0.420E-01 RMM: 2 -0.346634886432E+03 -0.88003E-02 -0.71048E-02 5157 0.627E-01 0.945E-01 RMM: 3 -0.346629148867E+03 0.57376E-02 -0.78427E-03 5425 0.196E-01 0.316E-01 RMM: 4 -0.346630611064E+03 -0.14622E-02 -0.27281E-03 5164 0.132E-01 0.588E-01 RMM: 5 -0.346628469277E+03 0.21418E-02 -0.12418E-03 4610 0.955E-02 0.170E-01 RMM: 6 -0.346628325007E+03 0.14427E-03 -0.23824E-04 3903 0.396E-02 0.100E-01 RMM: 7 -0.346628340465E+03 -0.15458E-04 -0.11404E-04 3849 0.309E-02 2080 T= 6368. E= 0.67647681E+03 F= 0.62379611E+03 E0= 0.65289770E+03 EK= 0.52681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346107154086E+03 0.52117E+00 -0.16395E-01 7968 0.234E+01 0.459E-01 RMM: 2 -0.346112248111E+03 -0.50940E-02 -0.69381E-02 5118 0.610E-01 0.653E-01 RMM: 3 -0.346110414643E+03 0.18335E-02 -0.76074E-03 5398 0.191E-01 0.466E-01 RMM: 4 -0.346111335349E+03 -0.92071E-03 -0.27655E-03 5165 0.133E-01 0.617E-01 RMM: 5 -0.346108795586E+03 0.25398E-02 -0.15510E-03 4614 0.106E-01 0.123E-01 RMM: 6 -0.346108854766E+03 -0.59181E-04 -0.27890E-04 3930 0.426E-02 0.166E-01 RMM: 7 -0.346108709141E+03 0.14562E-03 -0.12584E-04 3870 0.345E-02 0.975E-02 RMM: 8 -0.346108649526E+03 0.59615E-04 -0.46991E-05 3228 0.203E-02 0.417E-02 RMM: 9 -0.346108664799E+03 -0.15272E-04 -0.27210E-05 2777 0.149E-02 2081 T= 6200. E= 0.67515465E+03 F= 0.62386292E+03 E0= 0.65292009E+03 EK= 0.51292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345600642810E+03 0.50801E+00 -0.15690E-01 8088 0.230E+01 0.374E-01 RMM: 2 -0.345607456071E+03 -0.68133E-02 -0.65032E-02 5085 0.591E-01 0.760E-01 RMM: 3 -0.345603780591E+03 0.36755E-02 -0.69796E-03 5449 0.177E-01 0.300E-01 RMM: 4 -0.345604869695E+03 -0.10891E-02 -0.20588E-03 5022 0.116E-01 0.521E-01 RMM: 5 -0.345603119377E+03 0.17503E-02 -0.92893E-04 4610 0.826E-02 0.124E-01 RMM: 6 -0.345603054182E+03 0.65194E-04 -0.18044E-04 3885 0.343E-02 0.870E-02 RMM: 7 -0.345603050661E+03 0.35217E-05 -0.65051E-05 3486 0.241E-02 2082 T= 6117. E= 0.67451657E+03 F= 0.62391104E+03 E0= 0.65292269E+03 EK= 0.50606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345153892961E+03 0.44916E+00 -0.15104E-01 8244 0.230E+01 0.454E-01 RMM: 2 -0.345157967046E+03 -0.40741E-02 -0.59336E-02 5134 0.576E-01 0.647E-01 RMM: 3 -0.345156347456E+03 0.16196E-02 -0.69352E-03 5391 0.186E-01 0.473E-01 RMM: 4 -0.345157433209E+03 -0.10858E-02 -0.27641E-03 5104 0.135E-01 0.636E-01 RMM: 5 -0.345154714526E+03 0.27187E-02 -0.15328E-03 4610 0.105E-01 0.115E-01 RMM: 6 -0.345154791851E+03 -0.77325E-04 -0.30721E-04 3943 0.451E-02 0.170E-01 RMM: 7 -0.345154627486E+03 0.16437E-03 -0.12845E-04 3870 0.354E-02 0.884E-02 RMM: 8 -0.345154581583E+03 0.45903E-04 -0.33913E-05 3003 0.173E-02 0.432E-02 RMM: 9 -0.345154591984E+03 -0.10401E-04 -0.28898E-05 2805 0.155E-02 2083 T= 6148. E= 0.67476202E+03 F= 0.62390088E+03 E0= 0.65286613E+03 EK= 0.50861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344770805258E+03 0.38378E+00 -0.15595E-01 8004 0.231E+01 0.341E-01 RMM: 2 -0.344776593549E+03 -0.57883E-02 -0.63721E-02 5026 0.597E-01 0.616E-01 RMM: 3 -0.344774373616E+03 0.22199E-02 -0.69776E-03 5501 0.172E-01 0.301E-01 RMM: 4 -0.344775125896E+03 -0.75228E-03 -0.19652E-03 5036 0.118E-01 0.468E-01 RMM: 5 -0.344773731761E+03 0.13941E-02 -0.84150E-04 4610 0.781E-02 0.144E-01 RMM: 6 -0.344773640436E+03 0.91325E-04 -0.21821E-04 3900 0.383E-02 0.968E-02 RMM: 7 -0.344773618380E+03 0.22056E-04 -0.95111E-05 3776 0.303E-02 0.906E-02 RMM: 8 -0.344773565809E+03 0.52571E-04 -0.23485E-05 2788 0.156E-02 0.262E-02 RMM: 9 -0.344773567290E+03 -0.14804E-05 -0.10730E-05 2471 0.956E-03 2084 T= 6285. E= 0.67581980E+03 F= 0.62382601E+03 E0= 0.65274497E+03 EK= 0.51994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344438593605E+03 0.33497E+00 -0.15882E-01 8160 0.235E+01 0.380E-01 RMM: 2 -0.344443238813E+03 -0.46452E-02 -0.57693E-02 5097 0.573E-01 0.598E-01 RMM: 3 -0.344441376873E+03 0.18619E-02 -0.59495E-03 5438 0.164E-01 0.338E-01 RMM: 4 -0.344442111842E+03 -0.73497E-03 -0.23702E-03 5046 0.130E-01 0.505E-01 RMM: 5 -0.344440445915E+03 0.16659E-02 -0.10963E-03 4608 0.892E-02 0.106E-01 RMM: 6 -0.344440535465E+03 -0.89551E-04 -0.25744E-04 3892 0.421E-02 0.170E-01 RMM: 7 -0.344440368409E+03 0.16706E-03 -0.13199E-04 3858 0.367E-02 0.776E-02 RMM: 8 -0.344440333415E+03 0.34994E-04 -0.26507E-05 2816 0.159E-02 0.378E-02 RMM: 9 -0.344440338194E+03 -0.47787E-05 -0.20912E-05 2545 0.134E-02 2085 T= 6484. E= 0.67735050E+03 F= 0.62370889E+03 E0= 0.65258301E+03 EK= 0.53642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344104910153E+03 0.33542E+00 -0.16269E-01 8160 0.239E+01 0.340E-01 RMM: 2 -0.344111704764E+03 -0.67946E-02 -0.68100E-02 5018 0.634E-01 0.667E-01 RMM: 3 -0.344108980064E+03 0.27247E-02 -0.74927E-03 5520 0.179E-01 0.282E-01 RMM: 4 -0.344109664165E+03 -0.68410E-03 -0.21507E-03 5083 0.123E-01 0.453E-01 RMM: 5 -0.344108389118E+03 0.12750E-02 -0.11874E-03 4612 0.947E-02 0.162E-01 RMM: 6 -0.344108325751E+03 0.63367E-04 -0.26691E-04 3905 0.431E-02 0.141E-01 RMM: 7 -0.344108238959E+03 0.86792E-04 -0.18113E-04 3868 0.423E-02 0.100E-01 RMM: 8 -0.344108174712E+03 0.64247E-04 -0.42083E-05 3133 0.204E-02 0.346E-02 RMM: 9 -0.344108177934E+03 -0.32217E-05 -0.19316E-05 2541 0.133E-02 2086 T= 6674. E= 0.67880788E+03 F= 0.62359697E+03 E0= 0.65242665E+03 EK= 0.55211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343715841700E+03 0.39233E+00 -0.16856E-01 7968 0.243E+01 0.353E-01 RMM: 2 -0.343722915409E+03 -0.70737E-02 -0.68858E-02 5037 0.635E-01 0.705E-01 RMM: 3 -0.343719825332E+03 0.30901E-02 -0.73730E-03 5508 0.176E-01 0.258E-01 RMM: 4 -0.343720758330E+03 -0.93300E-03 -0.23855E-03 5066 0.132E-01 0.492E-01 RMM: 5 -0.343719187959E+03 0.15704E-02 -0.11282E-03 4608 0.912E-02 0.110E-01 RMM: 6 -0.343719309306E+03 -0.12135E-03 -0.27161E-04 3891 0.441E-02 0.187E-01 RMM: 7 -0.343719090936E+03 0.21837E-03 -0.16102E-04 3864 0.407E-02 0.692E-02 RMM: 8 -0.343719064460E+03 0.26476E-04 -0.25707E-05 2813 0.160E-02 0.383E-02 RMM: 9 -0.343719065735E+03 -0.12744E-05 -0.21016E-05 2525 0.138E-02 2087 T= 6777. E= 0.67961278E+03 F= 0.62354670E+03 E0= 0.65233385E+03 EK= 0.56066E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343215387971E+03 0.50368E+00 -0.17646E-01 7992 0.244E+01 0.343E-01 RMM: 2 -0.343223114120E+03 -0.77261E-02 -0.85008E-02 4913 0.701E-01 0.576E-01 RMM: 3 -0.343221136771E+03 0.19773E-02 -0.93480E-03 5652 0.190E-01 0.304E-01 RMM: 4 -0.343221816539E+03 -0.67977E-03 -0.23541E-03 5172 0.132E-01 0.479E-01 RMM: 5 -0.343220373334E+03 0.14432E-02 -0.11292E-03 4616 0.908E-02 0.145E-01 RMM: 6 -0.343220367356E+03 0.59788E-05 -0.30016E-04 3925 0.461E-02 0.155E-01 RMM: 7 -0.343220239384E+03 0.12797E-03 -0.17721E-04 3869 0.422E-02 0.893E-02 RMM: 8 -0.343220189342E+03 0.50042E-04 -0.30738E-05 2901 0.178E-02 0.355E-02 RMM: 9 -0.343220191429E+03 -0.20867E-05 -0.23031E-05 2535 0.146E-02 2088 T= 6747. E= 0.67942701E+03 F= 0.62360766E+03 E0= 0.65235249E+03 EK= 0.55819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342581350928E+03 0.63884E+00 -0.16831E-01 7872 0.243E+01 0.370E-01 RMM: 2 -0.342586924520E+03 -0.55736E-02 -0.63537E-02 5075 0.602E-01 0.623E-01 RMM: 3 -0.342584707771E+03 0.22167E-02 -0.65719E-03 5445 0.173E-01 0.311E-01 RMM: 4 -0.342585546573E+03 -0.83880E-03 -0.22409E-03 5100 0.126E-01 0.498E-01 RMM: 5 -0.342583917496E+03 0.16291E-02 -0.10311E-03 4611 0.868E-02 0.122E-01 RMM: 6 -0.342583949389E+03 -0.31894E-04 -0.26692E-04 3914 0.429E-02 0.151E-01 RMM: 7 -0.342583835288E+03 0.11410E-03 -0.13128E-04 3864 0.363E-02 0.934E-02 RMM: 8 -0.342583779896E+03 0.55392E-04 -0.34456E-05 3007 0.181E-02 0.337E-02 RMM: 9 -0.342583787458E+03 -0.75614E-05 -0.19639E-05 2541 0.132E-02 2089 T= 6594. E= 0.67835104E+03 F= 0.62380396E+03 E0= 0.65250682E+03 EK= 0.54547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341812020884E+03 0.77176E+00 -0.16636E-01 7692 0.241E+01 0.389E-01 RMM: 2 -0.341819040805E+03 -0.70199E-02 -0.71046E-02 5012 0.633E-01 0.720E-01 RMM: 3 -0.341815805810E+03 0.32350E-02 -0.76734E-03 5476 0.186E-01 0.319E-01 RMM: 4 -0.341816887572E+03 -0.10818E-02 -0.24417E-03 5146 0.130E-01 0.536E-01 RMM: 5 -0.341815022454E+03 0.18651E-02 -0.11115E-03 4620 0.903E-02 0.142E-01 RMM: 6 -0.341814981075E+03 0.41379E-04 -0.26864E-04 3913 0.427E-02 0.130E-01 RMM: 7 -0.341814925402E+03 0.55673E-04 -0.12179E-04 3845 0.344E-02 0.105E-01 RMM: 8 -0.341814851748E+03 0.73654E-04 -0.36930E-05 3067 0.189E-02 0.312E-02 RMM: 9 -0.341814861228E+03 -0.94794E-05 -0.18096E-05 2541 0.123E-02 2090 T= 6376. E= 0.67687794E+03 F= 0.62412794E+03 E0= 0.65278945E+03 EK= 0.52750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340942149433E+03 0.87270E+00 -0.16043E-01 7548 0.237E+01 0.407E-01 RMM: 2 -0.340948040569E+03 -0.58911E-02 -0.61277E-02 5209 0.585E-01 0.746E-01 RMM: 3 -0.340944758240E+03 0.32823E-02 -0.63350E-03 5403 0.176E-01 0.324E-01 RMM: 4 -0.340945801904E+03 -0.10437E-02 -0.23107E-03 5181 0.125E-01 0.528E-01 RMM: 5 -0.340943951595E+03 0.18503E-02 -0.10620E-03 4613 0.885E-02 0.147E-01 RMM: 6 -0.340943887002E+03 0.64594E-04 -0.24214E-04 3895 0.403E-02 0.121E-01 RMM: 7 -0.340943845931E+03 0.41070E-04 -0.10962E-04 3843 0.328E-02 0.106E-01 RMM: 8 -0.340943772171E+03 0.73760E-04 -0.36227E-05 3064 0.185E-02 0.305E-02 RMM: 9 -0.340943781555E+03 -0.93842E-05 -0.18052E-05 2542 0.123E-02 2091 T= 6176. E= 0.67564199E+03 F= 0.62454879E+03 E0= 0.65317073E+03 EK= 0.51093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340009406660E+03 0.93437E+00 -0.15544E-01 7584 0.235E+01 0.410E-01 RMM: 2 -0.340015132482E+03 -0.57258E-02 -0.56291E-02 5320 0.563E-01 0.771E-01 RMM: 3 -0.340011513159E+03 0.36193E-02 -0.56489E-03 5400 0.169E-01 0.345E-01 RMM: 4 -0.340012801174E+03 -0.12880E-02 -0.24056E-03 5018 0.127E-01 0.572E-01 RMM: 5 -0.340010658188E+03 0.21430E-02 -0.11771E-03 4617 0.938E-02 0.148E-01 RMM: 6 -0.340010575208E+03 0.82981E-04 -0.24496E-04 3895 0.405E-02 0.112E-01 RMM: 7 -0.340010549640E+03 0.25568E-04 -0.10307E-04 3836 0.312E-02 0.105E-01 RMM: 8 -0.340010474636E+03 0.75003E-04 -0.37326E-05 3103 0.189E-02 0.302E-02 RMM: 9 -0.340010483851E+03 -0.92145E-05 -0.18097E-05 2539 0.122E-02 2092 T= 6061. E= 0.67516547E+03 F= 0.62502864E+03 E0= 0.65361397E+03 EK= 0.50137E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339050991584E+03 0.95948E+00 -0.15888E-01 7728 0.235E+01 0.406E-01 RMM: 2 -0.339057715692E+03 -0.67241E-02 -0.67313E-02 5213 0.611E-01 0.773E-01 RMM: 3 -0.339054179645E+03 0.35360E-02 -0.70790E-03 5437 0.182E-01 0.320E-01 RMM: 4 -0.339055383520E+03 -0.12039E-02 -0.23221E-03 5151 0.124E-01 0.547E-01 RMM: 5 -0.339053389025E+03 0.19945E-02 -0.10999E-03 4606 0.899E-02 0.146E-01 RMM: 6 -0.339053322975E+03 0.66050E-04 -0.23937E-04 3892 0.401E-02 0.118E-01 RMM: 7 -0.339053284766E+03 0.38209E-04 -0.10286E-04 3827 0.315E-02 0.105E-01 RMM: 8 -0.339053211460E+03 0.73306E-04 -0.36452E-05 3079 0.185E-02 0.299E-02 RMM: 9 -0.339053220803E+03 -0.93425E-05 -0.17208E-05 2532 0.120E-02 2093 T= 6067. E= 0.67572634E+03 F= 0.62553330E+03 E0= 0.65408590E+03 EK= 0.50193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338097715723E+03 0.95550E+00 -0.16191E-01 7884 0.236E+01 0.389E-01 RMM: 2 -0.338104358179E+03 -0.66425E-02 -0.62011E-02 5263 0.593E-01 0.779E-01 RMM: 3 -0.338100555486E+03 0.38027E-02 -0.61623E-03 5404 0.173E-01 0.310E-01 RMM: 4 -0.338101809236E+03 -0.12538E-02 -0.22843E-03 5017 0.123E-01 0.547E-01 RMM: 5 -0.338099880742E+03 0.19285E-02 -0.11517E-03 4615 0.929E-02 0.161E-01 RMM: 6 -0.338099761409E+03 0.11933E-03 -0.25148E-04 3906 0.411E-02 0.104E-01 RMM: 7 -0.338099738736E+03 0.22673E-04 -0.11072E-04 3839 0.328E-02 0.100E-01 RMM: 8 -0.338099672437E+03 0.66299E-04 -0.32888E-05 3021 0.180E-02 0.315E-02 RMM: 9 -0.338099678172E+03 -0.57353E-05 -0.17252E-05 2519 0.121E-02 2094 T= 6199. E= 0.67731934E+03 F= 0.62603981E+03 E0= 0.65456577E+03 EK= 0.51280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337157961819E+03 0.94171E+00 -0.17114E-01 7812 0.240E+01 0.373E-01 RMM: 2 -0.337166049493E+03 -0.80877E-02 -0.74876E-02 5170 0.655E-01 0.797E-01 RMM: 3 -0.337162131246E+03 0.39182E-02 -0.75783E-03 5478 0.185E-01 0.265E-01 RMM: 4 -0.337163228123E+03 -0.10969E-02 -0.21665E-03 5093 0.121E-01 0.506E-01 RMM: 5 -0.337161555405E+03 0.16727E-02 -0.10479E-03 4606 0.877E-02 0.147E-01 RMM: 6 -0.337161511015E+03 0.44390E-04 -0.25217E-04 3896 0.413E-02 0.131E-01 RMM: 7 -0.337161444000E+03 0.67015E-04 -0.12196E-04 3845 0.350E-02 0.999E-02 RMM: 8 -0.337161378464E+03 0.65536E-04 -0.34286E-05 3057 0.180E-02 0.313E-02 RMM: 9 -0.337161384753E+03 -0.62896E-05 -0.16334E-05 2521 0.119E-02 2095 T= 6419. E= 0.67964521E+03 F= 0.62654039E+03 E0= 0.65504689E+03 EK= 0.53105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336234236880E+03 0.92714E+00 -0.17791E-01 7896 0.244E+01 0.362E-01 RMM: 2 -0.336242697712E+03 -0.84608E-02 -0.73665E-02 5274 0.657E-01 0.822E-01 RMM: 3 -0.336238356984E+03 0.43407E-02 -0.69695E-03 5492 0.180E-01 0.261E-01 RMM: 4 -0.336239320861E+03 -0.96388E-03 -0.20401E-03 4904 0.117E-01 0.485E-01 RMM: 5 -0.336237882424E+03 0.14384E-02 -0.10713E-03 4609 0.900E-02 0.183E-01 RMM: 6 -0.336237731335E+03 0.15109E-03 -0.30997E-04 3936 0.459E-02 0.117E-01 RMM: 7 -0.336237688520E+03 0.42815E-04 -0.14292E-04 3862 0.381E-02 0.101E-01 RMM: 8 -0.336237623285E+03 0.65235E-04 -0.31683E-05 2973 0.179E-02 0.334E-02 RMM: 9 -0.336237627526E+03 -0.42412E-05 -0.17414E-05 2520 0.123E-02 2096 T= 6659. E= 0.68212884E+03 F= 0.62703727E+03 E0= 0.65553350E+03 EK= 0.55092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335319396896E+03 0.91823E+00 -0.18519E-01 7740 0.247E+01 0.359E-01 RMM: 2 -0.335329976292E+03 -0.10579E-01 -0.91885E-02 5168 0.731E-01 0.862E-01 RMM: 3 -0.335325271087E+03 0.47052E-02 -0.92130E-03 5606 0.197E-01 0.233E-01 RMM: 4 -0.335326106499E+03 -0.83541E-03 -0.20423E-03 5049 0.118E-01 0.460E-01 RMM: 5 -0.335324760269E+03 0.13462E-02 -0.10214E-03 4609 0.870E-02 0.157E-01 RMM: 6 -0.335324738829E+03 0.21440E-04 -0.30395E-04 3928 0.454E-02 0.154E-01 RMM: 7 -0.335324638449E+03 0.10038E-03 -0.14883E-04 3861 0.387E-02 0.106E-01 RMM: 8 -0.335324564921E+03 0.73528E-04 -0.38983E-05 3125 0.190E-02 0.342E-02 RMM: 9 -0.335324569181E+03 -0.42603E-05 -0.17041E-05 2521 0.122E-02 2097 T= 6832. E= 0.68405064E+03 F= 0.62753313E+03 E0= 0.65602914E+03 EK= 0.56518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334422885776E+03 0.90168E+00 -0.18636E-01 7656 0.248E+01 0.366E-01 RMM: 2 -0.334433917805E+03 -0.11032E-01 -0.89651E-02 5243 0.725E-01 0.919E-01 RMM: 3 -0.334428402002E+03 0.55158E-02 -0.87177E-03 5585 0.196E-01 0.253E-01 RMM: 4 -0.334429271078E+03 -0.86908E-03 -0.20816E-03 5004 0.117E-01 0.472E-01 RMM: 5 -0.334427914864E+03 0.13562E-02 -0.10590E-03 4612 0.893E-02 0.187E-01 RMM: 6 -0.334427777577E+03 0.13729E-03 -0.34069E-04 3972 0.480E-02 0.130E-01 RMM: 7 -0.334427741334E+03 0.36243E-04 -0.14890E-04 3875 0.379E-02 0.118E-01 RMM: 8 -0.334427650242E+03 0.91092E-04 -0.41454E-05 3150 0.199E-02 0.347E-02 RMM: 9 -0.334427653473E+03 -0.32310E-05 -0.16863E-05 2529 0.119E-02 2098 T= 6868. E= 0.68483265E+03 F= 0.62801916E+03 E0= 0.65652590E+03 EK= 0.56813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333566703052E+03 0.86095E+00 -0.19386E-01 7860 0.247E+01 0.379E-01 RMM: 2 -0.333578982709E+03 -0.12280E-01 -0.10397E-01 5098 0.779E-01 0.925E-01 RMM: 3 -0.333573479646E+03 0.55031E-02 -0.10952E-02 5601 0.217E-01 0.246E-01 RMM: 4 -0.333574415916E+03 -0.93627E-03 -0.21973E-03 5155 0.120E-01 0.482E-01 RMM: 5 -0.333572939246E+03 0.14767E-02 -0.10047E-03 4605 0.857E-02 0.168E-01 RMM: 6 -0.333572863128E+03 0.76118E-04 -0.30087E-04 3924 0.451E-02 0.137E-01 RMM: 7 -0.333572822763E+03 0.40364E-04 -0.13578E-04 3866 0.358E-02 0.123E-01 RMM: 8 -0.333572722531E+03 0.10023E-03 -0.49073E-05 3271 0.209E-02 0.348E-02 RMM: 9 -0.333572724691E+03 -0.21597E-05 -0.15817E-05 2520 0.116E-02 2099 T= 6754. E= 0.68434000E+03 F= 0.62846510E+03 E0= 0.65699276E+03 EK= 0.55875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797231348E+03 0.77549E+00 -0.19096E-01 7848 0.243E+01 0.390E-01 RMM: 2 -0.332808888230E+03 -0.11657E-01 -0.93264E-02 5171 0.737E-01 0.957E-01 RMM: 3 -0.332802809235E+03 0.60790E-02 -0.95489E-03 5579 0.208E-01 0.267E-01 RMM: 4 -0.332803978655E+03 -0.11694E-02 -0.23305E-03 5201 0.123E-01 0.522E-01 RMM: 5 -0.332802258105E+03 0.17206E-02 -0.10571E-03 4604 0.887E-02 0.175E-01 RMM: 6 -0.332802124711E+03 0.13339E-03 -0.28762E-04 3921 0.439E-02 0.116E-01 RMM: 7 -0.332802134907E+03 -0.10196E-04 -0.13314E-04 3879 0.342E-02 2100 T= 6543. E= 0.68295058E+03 F= 0.62882469E+03 E0= 0.65738231E+03 EK= 0.54126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332155424362E+03 0.64670E+00 -0.18523E-01 7524 0.238E+01 0.435E-01 RMM: 2 -0.332165202491E+03 -0.97781E-02 -0.98347E-02 5164 0.742E-01 0.805E-01 RMM: 3 -0.332161172779E+03 0.40297E-02 -0.10050E-02 5498 0.216E-01 0.358E-01 RMM: 4 -0.332162503681E+03 -0.13309E-02 -0.26071E-03 5291 0.130E-01 0.596E-01 RMM: 5 -0.332160131366E+03 0.23723E-02 -0.13568E-03 4614 0.998E-02 0.146E-01 RMM: 6 -0.332160168294E+03 -0.36927E-04 -0.30881E-04 3914 0.452E-02 0.171E-01 RMM: 7 -0.332160049220E+03 0.11907E-03 -0.15162E-04 3877 0.377E-02 0.122E-01 RMM: 8 -0.332159950740E+03 0.98480E-04 -0.62059E-05 3430 0.230E-02 0.377E-02 RMM: 9 -0.332159966059E+03 -0.15318E-04 -0.25218E-05 2650 0.145E-02 2101 T= 6319. E= 0.68132766E+03 F= 0.62905166E+03 E0= 0.65764336E+03 EK= 0.52276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331674332749E+03 0.48562E+00 -0.17492E-01 7800 0.234E+01 0.355E-01 RMM: 2 -0.331685000080E+03 -0.10667E-01 -0.83856E-02 5216 0.678E-01 0.918E-01 RMM: 3 -0.331679313019E+03 0.56871E-02 -0.82833E-03 5538 0.198E-01 0.249E-01 RMM: 4 -0.331680334710E+03 -0.10217E-02 -0.18427E-03 4947 0.107E-01 0.477E-01 RMM: 5 -0.331678893082E+03 0.14416E-02 -0.82034E-04 4589 0.786E-02 0.163E-01 RMM: 6 -0.331678744169E+03 0.14891E-03 -0.22738E-04 3905 0.393E-02 0.812E-02 RMM: 7 -0.331678777180E+03 -0.33011E-04 -0.84085E-05 3635 0.269E-02 0.113E-01 RMM: 8 -0.331678692080E+03 0.85100E-04 -0.35012E-05 3064 0.187E-02 0.256E-02 RMM: 9 -0.331678690687E+03 0.13930E-05 -0.78798E-06 2469 0.793E-03 2102 T= 6163. E= 0.68009873E+03 F= 0.62911374E+03 E0= 0.65774101E+03 EK= 0.50985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331363144713E+03 0.31555E+00 -0.17713E-01 7824 0.233E+01 0.408E-01 RMM: 2 -0.331371160747E+03 -0.80160E-02 -0.79735E-02 5369 0.646E-01 0.772E-01 RMM: 3 -0.331367285476E+03 0.38753E-02 -0.71332E-03 5458 0.188E-01 0.354E-01 RMM: 4 -0.331368251271E+03 -0.96579E-03 -0.23769E-03 5183 0.123E-01 0.537E-01 RMM: 5 -0.331366390565E+03 0.18607E-02 -0.12234E-03 4601 0.954E-02 0.173E-01 RMM: 6 -0.331366279643E+03 0.11092E-03 -0.28082E-04 3931 0.439E-02 0.127E-01 RMM: 7 -0.331366264807E+03 0.14835E-04 -0.14301E-04 3876 0.355E-02 2103 T= 6123. E= 0.67965508E+03 F= 0.62900530E+03 E0= 0.65766618E+03 EK= 0.50650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331197534311E+03 0.16875E+00 -0.18258E-01 7872 0.234E+01 0.401E-01 RMM: 2 -0.331205486418E+03 -0.79521E-02 -0.79925E-02 5341 0.647E-01 0.731E-01 RMM: 3 -0.331201935201E+03 0.35512E-02 -0.70335E-03 5414 0.187E-01 0.349E-01 RMM: 4 -0.331202914463E+03 -0.97926E-03 -0.23357E-03 5071 0.124E-01 0.536E-01 RMM: 5 -0.331201026769E+03 0.18877E-02 -0.13168E-03 4615 0.997E-02 0.159E-01 RMM: 6 -0.331201003200E+03 0.23569E-04 -0.32888E-04 3943 0.470E-02 0.158E-01 RMM: 7 -0.331200918960E+03 0.84239E-04 -0.16489E-04 3880 0.396E-02 0.125E-01 RMM: 8 -0.331200819169E+03 0.99791E-04 -0.53446E-05 3324 0.221E-02 0.417E-02 RMM: 9 -0.331200827490E+03 -0.83213E-05 -0.27464E-05 2776 0.151E-02 2104 T= 6206. E= 0.68008943E+03 F= 0.62875165E+03 E0= 0.65744315E+03 EK= 0.51338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331126094531E+03 0.74725E-01 -0.18944E-01 8016 0.237E+01 0.312E-01 RMM: 2 -0.331137321798E+03 -0.11227E-01 -0.87226E-02 5245 0.671E-01 0.873E-01 RMM: 3 -0.331131730706E+03 0.55911E-02 -0.77934E-03 5515 0.191E-01 0.207E-01 RMM: 4 -0.331132568251E+03 -0.83755E-03 -0.15151E-03 4845 0.993E-02 0.442E-01 RMM: 5 -0.331131304974E+03 0.12633E-02 -0.74524E-04 4600 0.753E-02 0.100E-01 RMM: 6 -0.331131398663E+03 -0.93689E-04 -0.23785E-04 3891 0.397E-02 0.159E-01 RMM: 7 -0.331131259504E+03 0.13916E-03 -0.95664E-05 3750 0.311E-02 0.750E-02 RMM: 8 -0.331131222045E+03 0.37459E-04 -0.19942E-05 2608 0.138E-02 0.234E-02 RMM: 9 -0.331131221941E+03 0.10415E-06 -0.80011E-06 2457 0.829E-03 2105 T= 6382. E= 0.68119997E+03 F= 0.62840716E+03 E0= 0.65712227E+03 EK= 0.52793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331080168772E+03 0.51053E-01 -0.19760E-01 7944 0.241E+01 0.364E-01 RMM: 2 -0.331090369163E+03 -0.10200E-01 -0.94019E-02 5247 0.704E-01 0.768E-01 RMM: 3 -0.331086116660E+03 0.42525E-02 -0.85335E-03 5586 0.197E-01 0.295E-01 RMM: 4 -0.331086738838E+03 -0.62218E-03 -0.20785E-03 5060 0.117E-01 0.458E-01 RMM: 5 -0.331085443868E+03 0.12950E-02 -0.11716E-03 4608 0.945E-02 0.178E-01 RMM: 6 -0.331085357671E+03 0.86197E-04 -0.31530E-04 3933 0.462E-02 0.148E-01 RMM: 7 -0.331085295993E+03 0.61678E-04 -0.17719E-04 3884 0.409E-02 0.124E-01 RMM: 8 -0.331085192914E+03 0.10308E-03 -0.57315E-05 3361 0.229E-02 0.392E-02 RMM: 9 -0.331085195290E+03 -0.23758E-05 -0.21631E-05 2577 0.136E-02 2106 T= 6586. E= 0.68252767E+03 F= 0.62804572E+03 E0= 0.65677811E+03 EK= 0.54482E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330978339330E+03 0.10685E+00 -0.20478E-01 7884 0.245E+01 0.335E-01 RMM: 2 -0.330992373734E+03 -0.14034E-01 -0.98214E-02 5195 0.717E-01 0.102E+00 RMM: 3 -0.330984843022E+03 0.75307E-02 -0.91019E-03 5524 0.207E-01 0.222E-01 RMM: 4 -0.330985488195E+03 -0.64517E-03 -0.17873E-03 4987 0.109E-01 0.418E-01 RMM: 5 -0.330984361812E+03 0.11264E-02 -0.88710E-04 4609 0.816E-02 0.136E-01 RMM: 6 -0.330984447245E+03 -0.85432E-04 -0.30988E-04 3905 0.453E-02 0.180E-01 RMM: 7 -0.330984275913E+03 0.17133E-03 -0.14492E-04 3873 0.382E-02 0.978E-02 RMM: 8 -0.330984213321E+03 0.62591E-04 -0.35877E-05 3072 0.181E-02 0.340E-02 RMM: 9 -0.330984217242E+03 -0.39207E-05 -0.15689E-05 2514 0.115E-02 2107 T= 6737. E= 0.68348092E+03 F= 0.62774545E+03 E0= 0.65648870E+03 EK= 0.55735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330757909220E+03 0.22630E+00 -0.21525E-01 7920 0.247E+01 0.339E-01 RMM: 2 -0.330769943059E+03 -0.12034E-01 -0.11111E-01 5083 0.756E-01 0.751E-01 RMM: 3 -0.330765659376E+03 0.42837E-02 -0.10426E-02 5566 0.218E-01 0.292E-01 RMM: 4 -0.330766095349E+03 -0.43597E-03 -0.19183E-03 5106 0.112E-01 0.418E-01 RMM: 5 -0.330764983419E+03 0.11119E-02 -0.10075E-03 4610 0.872E-02 0.159E-01 RMM: 6 -0.330764945643E+03 0.37776E-04 -0.28405E-04 3913 0.437E-02 0.146E-01 RMM: 7 -0.330764862391E+03 0.83252E-04 -0.13245E-04 3876 0.358E-02 0.110E-01 RMM: 8 -0.330764784075E+03 0.78316E-04 -0.38835E-05 3138 0.189E-02 0.331E-02 RMM: 9 -0.330764788224E+03 -0.41491E-05 -0.19345E-05 2528 0.128E-02 2108 T= 6771. E= 0.68358082E+03 F= 0.62756755E+03 E0= 0.65631685E+03 EK= 0.56013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330389147663E+03 0.37564E+00 -0.21131E-01 7884 0.247E+01 0.356E-01 RMM: 2 -0.330402550355E+03 -0.13403E-01 -0.11181E-01 5101 0.759E-01 0.890E-01 RMM: 3 -0.330396597024E+03 0.59533E-02 -0.10571E-02 5602 0.221E-01 0.254E-01 RMM: 4 -0.330397387088E+03 -0.79006E-03 -0.20868E-03 5184 0.117E-01 0.463E-01 RMM: 5 -0.330396041373E+03 0.13457E-02 -0.93039E-04 4604 0.821E-02 0.150E-01 RMM: 6 -0.330396033294E+03 0.80794E-05 -0.26327E-04 3898 0.418E-02 0.150E-01 RMM: 7 -0.330395947557E+03 0.85737E-04 -0.12610E-04 3869 0.342E-02 0.110E-01 RMM: 8 -0.330395866154E+03 0.81403E-04 -0.48164E-05 3301 0.206E-02 0.318E-02 RMM: 9 -0.330395871334E+03 -0.51801E-05 -0.14984E-05 2522 0.112E-02 2109 T= 6670. E= 0.68271994E+03 F= 0.62753983E+03 E0= 0.65629229E+03 EK= 0.55180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329881425185E+03 0.51444E+00 -0.20043E-01 7884 0.244E+01 0.373E-01 RMM: 2 -0.329893210629E+03 -0.11785E-01 -0.11217E-01 5088 0.764E-01 0.768E-01 RMM: 3 -0.329888799908E+03 0.44107E-02 -0.10653E-02 5586 0.221E-01 0.297E-01 RMM: 4 -0.329889604844E+03 -0.80494E-03 -0.21213E-03 5149 0.116E-01 0.484E-01 RMM: 5 -0.329888083058E+03 0.15218E-02 -0.10132E-03 4604 0.862E-02 0.152E-01 RMM: 6 -0.329888019793E+03 0.63265E-04 -0.27340E-04 3927 0.429E-02 0.126E-01 RMM: 7 -0.329887984949E+03 0.34845E-04 -0.10555E-04 3833 0.311E-02 0.114E-01 RMM: 8 -0.329887898531E+03 0.86418E-04 -0.35365E-05 3078 0.181E-02 0.329E-02 RMM: 9 -0.329887902714E+03 -0.41830E-05 -0.16649E-05 2522 0.115E-02 2110 T= 6477. E= 0.68123060E+03 F= 0.62764905E+03 E0= 0.65640374E+03 EK= 0.53582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329275192161E+03 0.61271E+00 -0.19731E-01 7836 0.240E+01 0.403E-01 RMM: 2 -0.329291839029E+03 -0.16647E-01 -0.12143E-01 5049 0.807E-01 0.111E+00 RMM: 3 -0.329283002161E+03 0.88369E-02 -0.12456E-02 5556 0.239E-01 0.264E-01 RMM: 4 -0.329284057877E+03 -0.10557E-02 -0.26600E-03 5286 0.130E-01 0.505E-01 RMM: 5 -0.329282489526E+03 0.15684E-02 -0.10345E-03 4608 0.870E-02 0.187E-01 RMM: 6 -0.329282310413E+03 0.17911E-03 -0.25760E-04 3906 0.415E-02 0.106E-01 RMM: 7 -0.329282322544E+03 -0.12131E-04 -0.12047E-04 3858 0.317E-02 2111 T= 6268. E= 0.67970363E+03 F= 0.62785248E+03 E0= 0.65660900E+03 EK= 0.51851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328633178289E+03 0.64913E+00 -0.18508E-01 7872 0.237E+01 0.432E-01 RMM: 2 -0.328644958273E+03 -0.11780E-01 -0.10263E-01 5250 0.733E-01 0.923E-01 RMM: 3 -0.328639143297E+03 0.58150E-02 -0.95680E-03 5468 0.215E-01 0.356E-01 RMM: 4 -0.328640413268E+03 -0.12700E-02 -0.28320E-03 5213 0.133E-01 0.583E-01 RMM: 5 -0.328638189745E+03 0.22235E-02 -0.13404E-03 4608 0.994E-02 0.147E-01 RMM: 6 -0.328638171936E+03 0.17809E-04 -0.25089E-04 3891 0.400E-02 0.147E-01 RMM: 7 -0.328638078888E+03 0.93048E-04 -0.12175E-04 3877 0.327E-02 0.107E-01 RMM: 8 -0.328638005244E+03 0.73644E-04 -0.49188E-05 3285 0.208E-02 0.383E-02 RMM: 9 -0.328638023206E+03 -0.17962E-04 -0.23122E-05 2619 0.136E-02 2112 T= 6119. E= 0.67871207E+03 F= 0.62809212E+03 E0= 0.65685125E+03 EK= 0.50620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328009903564E+03 0.62810E+00 -0.18543E-01 7992 0.234E+01 0.377E-01 RMM: 2 -0.328024640763E+03 -0.14737E-01 -0.10571E-01 5129 0.752E-01 0.109E+00 RMM: 3 -0.328016633567E+03 0.80072E-02 -0.11070E-02 5571 0.225E-01 0.279E-01 RMM: 4 -0.328017408021E+03 -0.77445E-03 -0.22869E-03 5164 0.118E-01 0.457E-01 RMM: 5 -0.328016178939E+03 0.12291E-02 -0.85158E-04 4600 0.785E-02 0.201E-01 RMM: 6 -0.328015926562E+03 0.25238E-03 -0.25740E-04 3905 0.425E-02 0.770E-02 RMM: 7 -0.328015988751E+03 -0.62188E-04 -0.93821E-05 3678 0.270E-02 0.126E-01 RMM: 8 -0.328015879359E+03 0.10939E-03 -0.47152E-05 3261 0.213E-02 0.252E-02 RMM: 9 -0.328015878760E+03 0.59912E-06 -0.89397E-06 2484 0.848E-03 2113 T= 6082. E= 0.67862231E+03 F= 0.62830996E+03 E0= 0.65707054E+03 EK= 0.50312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327459481203E+03 0.55640E+00 -0.18406E-01 7992 0.234E+01 0.396E-01 RMM: 2 -0.327470475607E+03 -0.10994E-01 -0.93819E-02 5339 0.692E-01 0.899E-01 RMM: 3 -0.327464942581E+03 0.55330E-02 -0.83045E-03 5596 0.191E-01 0.290E-01 RMM: 4 -0.327465990262E+03 -0.10477E-02 -0.23211E-03 5070 0.122E-01 0.520E-01 RMM: 5 -0.327464197002E+03 0.17933E-02 -0.11350E-03 4607 0.914E-02 0.132E-01 RMM: 6 -0.327464221148E+03 -0.24146E-04 -0.27044E-04 3900 0.422E-02 0.152E-01 RMM: 7 -0.327464131921E+03 0.89227E-04 -0.10204E-04 3824 0.307E-02 0.111E-01 RMM: 8 -0.327464049943E+03 0.81978E-04 -0.39417E-05 3148 0.186E-02 0.340E-02 RMM: 9 -0.327464057373E+03 -0.74297E-05 -0.20002E-05 2557 0.128E-02 2114 T= 6172. E= 0.67952288E+03 F= 0.62846167E+03 E0= 0.65722089E+03 EK= 0.51061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327004867137E+03 0.45918E+00 -0.18883E-01 8220 0.236E+01 0.371E-01 RMM: 2 -0.327019990765E+03 -0.15124E-01 -0.10625E-01 5211 0.738E-01 0.110E+00 RMM: 3 -0.327011654567E+03 0.83362E-02 -0.10423E-02 5588 0.218E-01 0.263E-01 RMM: 4 -0.327012332126E+03 -0.67756E-03 -0.21576E-03 5060 0.114E-01 0.442E-01 RMM: 5 -0.327011194059E+03 0.11381E-02 -0.89930E-04 4606 0.814E-02 0.195E-01 RMM: 6 -0.327010997058E+03 0.19700E-03 -0.26276E-04 3891 0.422E-02 0.105E-01 RMM: 7 -0.327011028464E+03 -0.31405E-04 -0.12600E-04 3864 0.326E-02 0.132E-01 RMM: 8 -0.327010910720E+03 0.11774E-03 -0.58245E-05 3384 0.228E-02 0.296E-02 RMM: 9 -0.327010914680E+03 -0.39604E-05 -0.13496E-05 2513 0.105E-02 2115 T= 6368. E= 0.68120472E+03 F= 0.62852235E+03 E0= 0.65727473E+03 EK= 0.52682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326653211650E+03 0.35770E+00 -0.19291E-01 8484 0.238E+01 0.357E-01 RMM: 2 -0.326667348376E+03 -0.14137E-01 -0.10368E-01 5423 0.705E-01 0.102E+00 RMM: 3 -0.326659750744E+03 0.75976E-02 -0.86548E-03 5564 0.199E-01 0.256E-01 RMM: 4 -0.326660423487E+03 -0.67274E-03 -0.19810E-03 4888 0.111E-01 0.435E-01 RMM: 5 -0.326659262105E+03 0.11614E-02 -0.94448E-04 4608 0.846E-02 0.173E-01 RMM: 6 -0.326659137351E+03 0.12475E-03 -0.27000E-04 3914 0.424E-02 0.117E-01 RMM: 7 -0.326659153269E+03 -0.15918E-04 -0.12481E-04 3882 0.327E-02 2116 T= 6609. E= 0.68316761E+03 F= 0.62849107E+03 E0= 0.65722966E+03 EK= 0.54677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326380727394E+03 0.27841E+00 -0.20182E-01 8688 0.241E+01 0.379E-01 RMM: 2 -0.326394854534E+03 -0.14127E-01 -0.11715E-01 5388 0.747E-01 0.966E-01 RMM: 3 -0.326388314906E+03 0.65396E-02 -0.98709E-03 5781 0.206E-01 0.285E-01 RMM: 4 -0.326388860675E+03 -0.54577E-03 -0.20489E-03 4937 0.113E-01 0.445E-01 RMM: 5 -0.326387603243E+03 0.12574E-02 -0.11547E-03 4608 0.935E-02 0.166E-01 RMM: 6 -0.326387615281E+03 -0.12039E-04 -0.33591E-04 3913 0.472E-02 0.177E-01 RMM: 7 -0.326387487760E+03 0.12752E-03 -0.17442E-04 3877 0.410E-02 0.125E-01 RMM: 8 -0.326387386409E+03 0.10135E-03 -0.68351E-05 3478 0.240E-02 0.408E-02 RMM: 9 -0.326387401611E+03 -0.15203E-04 -0.24380E-05 2640 0.141E-02 2117 T= 6809. E= 0.68471375E+03 F= 0.62838871E+03 E0= 0.65710486E+03 EK= 0.56325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326154381453E+03 0.23300E+00 -0.20786E-01 8952 0.242E+01 0.316E-01 RMM: 2 -0.326170107905E+03 -0.15726E-01 -0.12039E-01 5429 0.741E-01 0.972E-01 RMM: 3 -0.326162786293E+03 0.73216E-02 -0.95478E-03 5653 0.206E-01 0.248E-01 RMM: 4 -0.326162906630E+03 -0.12034E-03 -0.14807E-03 4714 0.920E-02 0.321E-01 RMM: 5 -0.326162367847E+03 0.53878E-03 -0.74788E-04 4604 0.760E-02 0.182E-01 RMM: 6 -0.326162187622E+03 0.18022E-03 -0.26958E-04 3906 0.431E-02 0.904E-02 RMM: 7 -0.326162248169E+03 -0.60548E-04 -0.10193E-04 3801 0.294E-02 0.134E-01 RMM: 8 -0.326162126377E+03 0.12179E-03 -0.46054E-05 3260 0.207E-02 0.284E-02 RMM: 9 -0.326162124229E+03 0.21483E-05 -0.85771E-06 2485 0.838E-03 2118 T= 6884. E= 0.68519921E+03 F= 0.62824614E+03 E0= 0.65693195E+03 EK= 0.56953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325952741989E+03 0.20938E+00 -0.21077E-01 8904 0.241E+01 0.364E-01 RMM: 2 -0.325966045459E+03 -0.13303E-01 -0.12677E-01 5551 0.740E-01 0.778E-01 RMM: 3 -0.325961001407E+03 0.50441E-02 -0.86837E-03 5868 0.193E-01 0.278E-01 RMM: 4 -0.325961752532E+03 -0.75113E-03 -0.19012E-03 4831 0.110E-01 0.468E-01 RMM: 5 -0.325960341582E+03 0.14110E-02 -0.98492E-04 4610 0.848E-02 0.152E-01 RMM: 6 -0.325960318777E+03 0.22805E-04 -0.28617E-04 3902 0.434E-02 0.148E-01 RMM: 7 -0.325960251710E+03 0.67067E-04 -0.13855E-04 3876 0.360E-02 0.121E-01 RMM: 8 -0.325960154185E+03 0.97526E-04 -0.52935E-05 3335 0.214E-02 0.373E-02 RMM: 9 -0.325960157415E+03 -0.32300E-05 -0.21070E-05 2557 0.134E-02 2119 T= 6803. E= 0.68436403E+03 F= 0.62808263E+03 E0= 0.65673337E+03 EK= 0.56281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325775104263E+03 0.18505E+00 -0.20873E-01 8988 0.238E+01 0.359E-01 RMM: 2 -0.325791655717E+03 -0.16551E-01 -0.12701E-01 5576 0.739E-01 0.101E+00 RMM: 3 -0.325783440968E+03 0.82147E-02 -0.92097E-03 5639 0.204E-01 0.269E-01 RMM: 4 -0.325783940836E+03 -0.49987E-03 -0.19498E-03 4883 0.108E-01 0.411E-01 RMM: 5 -0.325782953305E+03 0.98753E-03 -0.86110E-04 4602 0.794E-02 0.184E-01 RMM: 6 -0.325782776675E+03 0.17663E-03 -0.24210E-04 3892 0.403E-02 0.101E-01 RMM: 7 -0.325782834615E+03 -0.57939E-04 -0.13268E-04 3880 0.321E-02 0.142E-01 RMM: 8 -0.325782698916E+03 0.13570E-03 -0.67381E-05 3483 0.246E-02 0.376E-02 RMM: 9 -0.325782695274E+03 0.36415E-05 -0.12313E-05 2510 0.101E-02 2120 T= 6600. E= 0.68249439E+03 F= 0.62789322E+03 E0= 0.65650775E+03 EK= 0.54601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325650894266E+03 0.13180E+00 -0.20871E-01 8820 0.234E+01 0.378E-01 RMM: 2 -0.325665381985E+03 -0.14488E-01 -0.13752E-01 5638 0.766E-01 0.786E-01 RMM: 3 -0.325660090448E+03 0.52915E-02 -0.96198E-03 5510 0.211E-01 0.301E-01 RMM: 4 -0.325660865259E+03 -0.77481E-03 -0.19960E-03 4969 0.111E-01 0.472E-01 RMM: 5 -0.325659406278E+03 0.14590E-02 -0.87888E-04 4608 0.790E-02 0.158E-01 RMM: 6 -0.325659300809E+03 0.10547E-03 -0.24542E-04 3896 0.402E-02 0.109E-01 RMM: 7 -0.325659324833E+03 -0.24025E-04 -0.10770E-04 3869 0.298E-02 0.131E-01 RMM: 8 -0.325659207392E+03 0.11744E-03 -0.55905E-05 3374 0.220E-02 0.331E-02 RMM: 9 -0.325659210079E+03 -0.26877E-05 -0.17810E-05 2539 0.121E-02 2121 T= 6359. E= 0.68024976E+03 F= 0.62764607E+03 E0= 0.65622712E+03 EK= 0.52604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325624415099E+03 0.34792E-01 -0.19783E-01 8880 0.230E+01 0.386E-01 RMM: 2 -0.325640209031E+03 -0.15794E-01 -0.12577E-01 5652 0.731E-01 0.992E-01 RMM: 3 -0.325632284622E+03 0.79244E-02 -0.88006E-03 5532 0.201E-01 0.284E-01 RMM: 4 -0.325633190920E+03 -0.90630E-03 -0.22511E-03 5032 0.116E-01 0.487E-01 RMM: 5 -0.325631664754E+03 0.15262E-02 -0.97659E-04 4597 0.843E-02 0.148E-01 RMM: 6 -0.325631575072E+03 0.89682E-04 -0.19006E-04 3882 0.354E-02 0.104E-01 RMM: 7 -0.325631574081E+03 0.99138E-06 -0.10261E-04 3848 0.281E-02 2122 T= 6168. E= 0.67832529E+03 F= 0.62729908E+03 E0= 0.65585231E+03 EK= 0.51026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325727224958E+03 -0.95650E-01 -0.18741E-01 8868 0.229E+01 0.395E-01 RMM: 2 -0.325739641601E+03 -0.12417E-01 -0.11926E-01 5694 0.698E-01 0.763E-01 RMM: 3 -0.325734629241E+03 0.50124E-02 -0.79902E-03 5439 0.192E-01 0.337E-01 RMM: 4 -0.325735596369E+03 -0.96713E-03 -0.21982E-03 4980 0.118E-01 0.523E-01 RMM: 5 -0.325733793861E+03 0.18025E-02 -0.10110E-03 4612 0.852E-02 0.156E-01 RMM: 6 -0.325733726188E+03 0.67672E-04 -0.26433E-04 3907 0.413E-02 0.131E-01 RMM: 7 -0.325733697005E+03 0.29183E-04 -0.12936E-04 3877 0.337E-02 0.125E-01 RMM: 8 -0.325733595157E+03 0.10185E-03 -0.54863E-05 3347 0.219E-02 0.390E-02 RMM: 9 -0.325733602195E+03 -0.70390E-05 -0.22117E-05 2606 0.134E-02 2123 T= 6090. E= 0.67719933E+03 F= 0.62682042E+03 E0= 0.65535220E+03 EK= 0.50379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325963548512E+03 -0.22995E+00 -0.18588E-01 8544 0.230E+01 0.347E-01 RMM: 2 -0.325979902490E+03 -0.16354E-01 -0.11668E-01 5443 0.718E-01 0.106E+00 RMM: 3 -0.325971158446E+03 0.87440E-02 -0.93694E-03 5612 0.204E-01 0.230E-01 RMM: 4 -0.325972025401E+03 -0.86696E-03 -0.19259E-03 4916 0.109E-01 0.450E-01 RMM: 5 -0.325970810273E+03 0.12151E-02 -0.76252E-04 4585 0.733E-02 0.172E-01 RMM: 6 -0.325970648172E+03 0.16210E-03 -0.23030E-04 3891 0.396E-02 0.858E-02 RMM: 7 -0.325970690444E+03 -0.42272E-04 -0.97111E-05 3745 0.278E-02 0.122E-01 RMM: 8 -0.325970589112E+03 0.10133E-03 -0.45999E-05 3255 0.208E-02 0.266E-02 RMM: 9 -0.325970589193E+03 -0.80363E-07 -0.92576E-06 2487 0.859E-03 2124 T= 6145. E= 0.67704339E+03 F= 0.62620810E+03 E0= 0.65472595E+03 EK= 0.50835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326302981677E+03 -0.33239E+00 -0.18183E-01 8640 0.233E+01 0.349E-01 RMM: 2 -0.326316675085E+03 -0.13693E-01 -0.10806E-01 5462 0.698E-01 0.922E-01 RMM: 3 -0.326310088405E+03 0.65867E-02 -0.84316E-03 5505 0.193E-01 0.254E-01 RMM: 4 -0.326310739591E+03 -0.65119E-03 -0.18812E-03 4805 0.109E-01 0.427E-01 RMM: 5 -0.326309593812E+03 0.11458E-02 -0.90495E-04 4606 0.820E-02 0.167E-01 RMM: 6 -0.326309494193E+03 0.99619E-04 -0.26741E-04 3888 0.417E-02 0.125E-01 RMM: 7 -0.326309470511E+03 0.23681E-04 -0.13737E-04 3872 0.360E-02 0.120E-01 RMM: 8 -0.326309375650E+03 0.94861E-04 -0.47044E-05 3250 0.208E-02 0.373E-02 RMM: 9 -0.326309377709E+03 -0.20583E-05 -0.16805E-05 2533 0.118E-02 2125 T= 6312. E= 0.67771697E+03 F= 0.62549868E+03 E0= 0.65400893E+03 EK= 0.52218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326669953181E+03 -0.36058E+00 -0.18946E-01 8328 0.239E+01 0.334E-01 RMM: 2 -0.326686894447E+03 -0.16941E-01 -0.12178E-01 5276 0.773E-01 0.106E+00 RMM: 3 -0.326678657719E+03 0.82367E-02 -0.11123E-02 5653 0.218E-01 0.232E-01 RMM: 4 -0.326678956760E+03 -0.29904E-03 -0.16362E-03 4819 0.997E-02 0.360E-01 RMM: 5 -0.326678195125E+03 0.76163E-03 -0.86805E-04 4600 0.808E-02 0.172E-01 RMM: 6 -0.326678119298E+03 0.75827E-04 -0.30420E-04 3904 0.454E-02 0.140E-01 RMM: 7 -0.326678083765E+03 0.35533E-04 -0.14906E-04 3881 0.371E-02 0.127E-01 RMM: 8 -0.326677975485E+03 0.10828E-03 -0.54991E-05 3357 0.222E-02 0.352E-02 RMM: 9 -0.326677977679E+03 -0.21939E-05 -0.14942E-05 2527 0.113E-02 2126 T= 6531. E= 0.67879517E+03 F= 0.62476633E+03 E0= 0.65327345E+03 EK= 0.54029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326973449552E+03 -0.29547E+00 -0.20010E-01 8592 0.244E+01 0.314E-01 RMM: 2 -0.326989399897E+03 -0.15950E-01 -0.12218E-01 5360 0.772E-01 0.963E-01 RMM: 3 -0.326982558467E+03 0.68414E-02 -0.10350E-02 5648 0.204E-01 0.242E-01 RMM: 4 -0.326982635105E+03 -0.76638E-04 -0.14912E-03 4749 0.963E-02 0.319E-01 RMM: 5 -0.326981999914E+03 0.63519E-03 -0.86803E-04 4607 0.824E-02 0.155E-01 RMM: 6 -0.326982028018E+03 -0.28104E-04 -0.34106E-04 3913 0.474E-02 0.172E-01 RMM: 7 -0.326981905748E+03 0.12227E-03 -0.15963E-04 3875 0.400E-02 0.117E-01 RMM: 8 -0.326981816082E+03 0.89665E-04 -0.44192E-05 3200 0.199E-02 0.366E-02 RMM: 9 -0.326981819799E+03 -0.37164E-05 -0.17218E-05 2531 0.120E-02 2127 T= 6716. E= 0.67966492E+03 F= 0.62410583E+03 E0= 0.65261263E+03 EK= 0.55559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327128658902E+03 -0.14684E+00 -0.21350E-01 8676 0.248E+01 0.332E-01 RMM: 2 -0.327147424491E+03 -0.18766E-01 -0.13314E-01 5305 0.820E-01 0.111E+00 RMM: 3 -0.327138510510E+03 0.89140E-02 -0.12257E-02 5689 0.227E-01 0.243E-01 RMM: 4 -0.327138552220E+03 -0.41709E-04 -0.15642E-03 4760 0.961E-02 0.316E-01 RMM: 5 -0.327137964987E+03 0.58723E-03 -0.85815E-04 4605 0.810E-02 0.172E-01 RMM: 6 -0.327137934020E+03 0.30967E-04 -0.32492E-04 3904 0.468E-02 0.161E-01 RMM: 7 -0.327137848801E+03 0.85219E-04 -0.16196E-04 3884 0.390E-02 0.124E-01 RMM: 8 -0.327137747964E+03 0.10084E-03 -0.53633E-05 3338 0.218E-02 0.358E-02 RMM: 9 -0.327137751368E+03 -0.34032E-05 -0.16691E-05 2532 0.119E-02 2128 T= 6788. E= 0.67975507E+03 F= 0.62359863E+03 E0= 0.65210526E+03 EK= 0.56156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327096954664E+03 0.40793E-01 -0.22005E-01 8916 0.249E+01 0.329E-01 RMM: 2 -0.327112915406E+03 -0.15961E-01 -0.12500E-01 5371 0.783E-01 0.964E-01 RMM: 3 -0.327106064016E+03 0.68514E-02 -0.10393E-02 5708 0.207E-01 0.242E-01 RMM: 4 -0.327106313243E+03 -0.24923E-03 -0.15905E-03 4752 0.994E-02 0.352E-01 RMM: 5 -0.327105499019E+03 0.81422E-03 -0.82832E-04 4604 0.789E-02 0.146E-01 RMM: 6 -0.327105526822E+03 -0.27802E-04 -0.32686E-04 3898 0.464E-02 0.164E-01 RMM: 7 -0.327105437930E+03 0.88891E-04 -0.14090E-04 3879 0.372E-02 0.124E-01 RMM: 8 -0.327105335935E+03 0.10200E-03 -0.45793E-05 3233 0.200E-02 0.362E-02 RMM: 9 -0.327105338692E+03 -0.27566E-05 -0.17074E-05 2529 0.119E-02 2129 T= 6715. E= 0.67883520E+03 F= 0.62328237E+03 E0= 0.65178772E+03 EK= 0.55553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326894573517E+03 0.21076E+00 -0.21900E-01 8736 0.246E+01 0.351E-01 RMM: 2 -0.326911622309E+03 -0.17049E-01 -0.12759E-01 5287 0.792E-01 0.104E+00 RMM: 3 -0.326903492098E+03 0.81302E-02 -0.11335E-02 5669 0.222E-01 0.244E-01 RMM: 4 -0.326904018449E+03 -0.52635E-03 -0.18894E-03 4939 0.107E-01 0.404E-01 RMM: 5 -0.326903033076E+03 0.98537E-03 -0.79734E-04 4594 0.753E-02 0.176E-01 RMM: 6 -0.326902903911E+03 0.12916E-03 -0.25192E-04 3892 0.411E-02 0.117E-01 RMM: 7 -0.326902906233E+03 -0.23217E-05 -0.13828E-04 3884 0.343E-02 2130 T= 6530. E= 0.67715527E+03 F= 0.62313599E+03 E0= 0.65163779E+03 EK= 0.54019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326589355031E+03 0.31355E+00 -0.21489E-01 8460 0.242E+01 0.390E-01 RMM: 2 -0.326604240645E+03 -0.14886E-01 -0.13229E-01 5190 0.807E-01 0.876E-01 RMM: 3 -0.326598506015E+03 0.57346E-02 -0.12260E-02 5710 0.226E-01 0.295E-01 RMM: 4 -0.326599391878E+03 -0.88586E-03 -0.23094E-03 5155 0.121E-01 0.504E-01 RMM: 5 -0.326597690023E+03 0.17019E-02 -0.10984E-03 4608 0.893E-02 0.129E-01 RMM: 6 -0.326597754446E+03 -0.64423E-04 -0.27502E-04 3900 0.421E-02 0.168E-01 RMM: 7 -0.326597655059E+03 0.99387E-04 -0.14178E-04 3876 0.355E-02 0.126E-01 RMM: 8 -0.326597550124E+03 0.10494E-03 -0.63603E-05 3426 0.232E-02 0.377E-02 RMM: 9 -0.326597558386E+03 -0.82622E-05 -0.19645E-05 2573 0.125E-02 2131 T= 6311. E= 0.67529826E+03 F= 0.62309090E+03 E0= 0.65158468E+03 EK= 0.52207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326269363162E+03 0.32819E+00 -0.20479E-01 8616 0.237E+01 0.320E-01 RMM: 2 -0.326282521225E+03 -0.13158E-01 -0.11195E-01 5245 0.739E-01 0.820E-01 RMM: 3 -0.326277187649E+03 0.53336E-02 -0.96392E-03 5584 0.208E-01 0.228E-01 RMM: 4 -0.326277937293E+03 -0.74964E-03 -0.16365E-03 4933 0.996E-02 0.422E-01 RMM: 5 -0.326276810280E+03 0.11270E-02 -0.63892E-04 4568 0.672E-02 0.138E-01 RMM: 6 -0.326276706367E+03 0.10391E-03 -0.15565E-04 3872 0.325E-02 0.709E-02 RMM: 7 -0.326276741800E+03 -0.35433E-04 -0.70242E-05 3501 0.239E-02 0.105E-01 RMM: 8 -0.326276667130E+03 0.74670E-04 -0.34598E-05 3062 0.188E-02 0.229E-02 RMM: 9 -0.326276667898E+03 -0.76889E-06 -0.81853E-06 2474 0.788E-03 2132 T= 6143. E= 0.67387680E+03 F= 0.62306014E+03 E0= 0.65154196E+03 EK= 0.50817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326006224314E+03 0.27044E+00 -0.19864E-01 8436 0.235E+01 0.366E-01 RMM: 2 -0.326019011971E+03 -0.12788E-01 -0.11560E-01 5118 0.769E-01 0.811E-01 RMM: 3 -0.326014227900E+03 0.47841E-02 -0.11274E-02 5642 0.218E-01 0.275E-01 RMM: 4 -0.326015119013E+03 -0.89111E-03 -0.20529E-03 5089 0.113E-01 0.490E-01 RMM: 5 -0.326013575975E+03 0.15430E-02 -0.94831E-04 4604 0.826E-02 0.142E-01 RMM: 6 -0.326013506788E+03 0.69187E-04 -0.21094E-04 3888 0.375E-02 0.108E-01 RMM: 7 -0.326013503456E+03 0.33323E-05 -0.95238E-05 3760 0.290E-02 2133 T= 6084. E= 0.67330712E+03 F= 0.62297265E+03 E0= 0.65143900E+03 EK= 0.50334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325840116147E+03 0.17339E+00 -0.19142E-01 8028 0.235E+01 0.368E-01 RMM: 2 -0.325852733074E+03 -0.12617E-01 -0.99986E-02 5235 0.722E-01 0.927E-01 RMM: 3 -0.325846671688E+03 0.60614E-02 -0.97993E-03 5561 0.212E-01 0.268E-01 RMM: 4 -0.325847508852E+03 -0.83716E-03 -0.18992E-03 4987 0.108E-01 0.465E-01 RMM: 5 -0.325846102216E+03 0.14066E-02 -0.88880E-04 4597 0.807E-02 0.147E-01 RMM: 6 -0.325846045588E+03 0.56627E-04 -0.22521E-04 3885 0.383E-02 0.125E-01 RMM: 7 -0.325846014072E+03 0.31517E-04 -0.12123E-04 3881 0.332E-02 0.115E-01 RMM: 8 -0.325845928598E+03 0.85474E-04 -0.46424E-05 3231 0.207E-02 0.368E-02 RMM: 9 -0.325845935267E+03 -0.66692E-05 -0.18907E-05 2556 0.125E-02 2134 T= 6156. E= 0.67372030E+03 F= 0.62279383E+03 E0= 0.65124085E+03 EK= 0.50926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325755039933E+03 0.90889E-01 -0.19449E-01 8112 0.237E+01 0.282E-01 RMM: 2 -0.325767578214E+03 -0.12538E-01 -0.99303E-02 5171 0.715E-01 0.832E-01 RMM: 3 -0.325762287239E+03 0.52910E-02 -0.93161E-03 5619 0.196E-01 0.195E-01 RMM: 4 -0.325762717842E+03 -0.43060E-03 -0.14062E-03 4853 0.942E-02 0.355E-01 RMM: 5 -0.325761940049E+03 0.77779E-03 -0.61590E-04 4595 0.679E-02 0.130E-01 RMM: 6 -0.325761881016E+03 0.59033E-04 -0.18899E-04 3877 0.361E-02 0.944E-02 RMM: 7 -0.325761874163E+03 0.68533E-05 -0.67126E-05 3546 0.257E-02 2135 T= 6335. E= 0.67494670E+03 F= 0.62253879E+03 E0= 0.65096252E+03 EK= 0.52408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325695635947E+03 0.66245E-01 -0.19747E-01 7788 0.241E+01 0.336E-01 RMM: 2 -0.325707597810E+03 -0.11962E-01 -0.10298E-01 5142 0.756E-01 0.836E-01 RMM: 3 -0.325702854042E+03 0.47438E-02 -0.10742E-02 5704 0.210E-01 0.230E-01 RMM: 4 -0.325703324774E+03 -0.47073E-03 -0.15659E-03 4856 0.100E-01 0.395E-01 RMM: 5 -0.325702305861E+03 0.10189E-02 -0.91888E-04 4606 0.831E-02 0.140E-01 RMM: 6 -0.325702358187E+03 -0.52326E-04 -0.28062E-04 3906 0.435E-02 0.172E-01 RMM: 7 -0.325702216662E+03 0.14153E-03 -0.16719E-04 3877 0.403E-02 0.107E-01 RMM: 8 -0.325702145258E+03 0.71404E-04 -0.50856E-05 3277 0.213E-02 0.394E-02 RMM: 9 -0.325702153909E+03 -0.86513E-05 -0.21415E-05 2577 0.137E-02 2136 T= 6559. E= 0.67653213E+03 F= 0.62226845E+03 E0= 0.65066596E+03 EK= 0.54264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325571792406E+03 0.13035E+00 -0.20190E-01 7884 0.244E+01 0.262E-01 RMM: 2 -0.325584326953E+03 -0.12535E-01 -0.98861E-02 5203 0.737E-01 0.835E-01 RMM: 3 -0.325579417038E+03 0.49099E-02 -0.97823E-03 5815 0.190E-01 0.191E-01 RMM: 4 -0.325579377954E+03 0.39084E-04 -0.10116E-03 4694 0.805E-02 0.255E-01 RMM: 5 -0.325578969512E+03 0.40844E-03 -0.57632E-04 4595 0.678E-02 0.123E-01 RMM: 6 -0.325578999462E+03 -0.29950E-04 -0.25058E-04 3906 0.416E-02 0.141E-01 RMM: 7 -0.325578916708E+03 0.82754E-04 -0.90944E-05 3710 0.301E-02 0.950E-02 RMM: 8 -0.325578855606E+03 0.61102E-04 -0.26140E-05 2855 0.158E-02 0.274E-02 RMM: 9 -0.325578855526E+03 0.80285E-07 -0.10366E-05 2478 0.926E-03 2137 T= 6741. E= 0.67783853E+03 F= 0.62207060E+03 E0= 0.65043772E+03 EK= 0.55768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325293505154E+03 0.28535E+00 -0.20377E-01 8100 0.246E+01 0.291E-01 RMM: 2 -0.325304911206E+03 -0.11406E-01 -0.10322E-01 5143 0.755E-01 0.732E-01 RMM: 3 -0.325301261716E+03 0.36495E-02 -0.10470E-02 5860 0.198E-01 0.204E-01 RMM: 4 -0.325301471961E+03 -0.21025E-03 -0.12479E-03 4806 0.917E-02 0.335E-01 RMM: 5 -0.325300734622E+03 0.73734E-03 -0.69683E-04 4607 0.726E-02 0.121E-01 RMM: 6 -0.325300848158E+03 -0.11354E-03 -0.27931E-04 3892 0.427E-02 0.182E-01 RMM: 7 -0.325300665891E+03 0.18227E-03 -0.13969E-04 3867 0.370E-02 0.904E-02 RMM: 8 -0.325300613324E+03 0.52567E-04 -0.32036E-05 2996 0.172E-02 0.336E-02 RMM: 9 -0.325300615739E+03 -0.24147E-05 -0.18798E-05 2528 0.127E-02 2138 T= 6800. E= 0.67829190E+03 F= 0.62203475E+03 E0= 0.65036789E+03 EK= 0.56257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324797872648E+03 0.50274E+00 -0.20754E-01 7908 0.246E+01 0.288E-01 RMM: 2 -0.324811515935E+03 -0.13643E-01 -0.10787E-01 5079 0.778E-01 0.875E-01 RMM: 3 -0.324806165312E+03 0.53506E-02 -0.11525E-02 5841 0.208E-01 0.210E-01 RMM: 4 -0.324806177860E+03 -0.12547E-04 -0.12160E-03 4815 0.885E-02 0.290E-01 RMM: 5 -0.324805623284E+03 0.55458E-03 -0.62834E-04 4605 0.694E-02 0.120E-01 RMM: 6 -0.324805691340E+03 -0.68056E-04 -0.24893E-04 3902 0.413E-02 0.156E-01 RMM: 7 -0.324805577107E+03 0.11423E-03 -0.10024E-04 3807 0.312E-02 0.983E-02 RMM: 8 -0.324805511853E+03 0.65254E-04 -0.34287E-05 3067 0.175E-02 0.297E-02 RMM: 9 -0.324805514529E+03 -0.26757E-05 -0.13242E-05 2496 0.104E-02 2139 T= 6706. E= 0.67769422E+03 F= 0.62222014E+03 E0= 0.65051570E+03 EK= 0.55474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324073110599E+03 0.73240E+00 -0.20000E-01 7992 0.243E+01 0.299E-01 RMM: 2 -0.324084325623E+03 -0.11215E-01 -0.10013E-01 5079 0.734E-01 0.746E-01 RMM: 3 -0.324080456214E+03 0.38694E-02 -0.10173E-02 5819 0.199E-01 0.214E-01 RMM: 4 -0.324080838419E+03 -0.38220E-03 -0.13231E-03 4870 0.929E-02 0.363E-01 RMM: 5 -0.324079957627E+03 0.88079E-03 -0.60338E-04 4599 0.664E-02 0.120E-01 RMM: 6 -0.324079966229E+03 -0.86021E-05 -0.22112E-04 3897 0.382E-02 0.131E-01 RMM: 7 -0.324079914619E+03 0.51610E-04 -0.97937E-05 3746 0.298E-02 0.106E-01 RMM: 8 -0.324079838866E+03 0.75752E-04 -0.37364E-05 3109 0.186E-02 0.281E-02 RMM: 9 -0.324079841380E+03 -0.25138E-05 -0.12827E-05 2502 0.100E-02 2140 T= 6494. E= 0.67635976E+03 F= 0.62263803E+03 E0= 0.65089345E+03 EK= 0.53722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323149434853E+03 0.93040E+00 -0.19377E-01 7920 0.238E+01 0.311E-01 RMM: 2 -0.323161598301E+03 -0.12163E-01 -0.93484E-02 5102 0.708E-01 0.881E-01 RMM: 3 -0.323155957730E+03 0.56406E-02 -0.93749E-03 5694 0.198E-01 0.195E-01 RMM: 4 -0.323156530666E+03 -0.57294E-03 -0.14683E-03 4886 0.973E-02 0.385E-01 RMM: 5 -0.323155568533E+03 0.96213E-03 -0.58040E-04 4585 0.644E-02 0.123E-01 RMM: 6 -0.323155539643E+03 0.28890E-04 -0.17942E-04 3880 0.347E-02 0.111E-01 RMM: 7 -0.323155517168E+03 0.22475E-04 -0.81690E-05 3641 0.266E-02 0.102E-01 RMM: 8 -0.323155445617E+03 0.71551E-04 -0.39125E-05 3150 0.192E-02 0.265E-02 RMM: 9 -0.323155447060E+03 -0.14433E-05 -0.10064E-05 2482 0.880E-03 2141 T= 6248. E= 0.67494189E+03 F= 0.62325550E+03 E0= 0.65146993E+03 EK= 0.51686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322079706924E+03 0.10757E+01 -0.19311E-01 8016 0.234E+01 0.311E-01 RMM: 2 -0.322091003255E+03 -0.11296E-01 -0.10248E-01 5087 0.734E-01 0.734E-01 RMM: 3 -0.322087084470E+03 0.39188E-02 -0.10213E-02 5736 0.201E-01 0.221E-01 RMM: 4 -0.322087650781E+03 -0.56631E-03 -0.14149E-03 4907 0.948E-02 0.400E-01 RMM: 5 -0.322086589084E+03 0.10617E-02 -0.58411E-04 4564 0.642E-02 0.114E-01 RMM: 6 -0.322086562286E+03 0.26797E-04 -0.17680E-04 3881 0.342E-02 0.103E-01 RMM: 7 -0.322086553704E+03 0.85828E-05 -0.73526E-05 3546 0.251E-02 2142 T= 6056. E= 0.67411621E+03 F= 0.62401912E+03 E0= 0.65219311E+03 EK= 0.50097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320922100452E+03 0.11645E+01 -0.19143E-01 8196 0.231E+01 0.338E-01 RMM: 2 -0.320934089562E+03 -0.11989E-01 -0.10245E-01 5062 0.735E-01 0.826E-01 RMM: 3 -0.320929267443E+03 0.48221E-02 -0.10410E-02 5705 0.211E-01 0.249E-01 RMM: 4 -0.320929810449E+03 -0.54301E-03 -0.16504E-03 4968 0.100E-01 0.410E-01 RMM: 5 -0.320928705568E+03 0.11049E-02 -0.68812E-04 4596 0.699E-02 0.131E-01 RMM: 6 -0.320928668850E+03 0.36718E-04 -0.19188E-04 3892 0.360E-02 0.116E-01 RMM: 7 -0.320928662491E+03 0.63592E-05 -0.96509E-05 3774 0.277E-02 2143 T= 5980. E= 0.67435071E+03 F= 0.62487596E+03 E0= 0.65301089E+03 EK= 0.49475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319715630899E+03 0.12130E+01 -0.19395E-01 8628 0.231E+01 0.303E-01 RMM: 2 -0.319727577516E+03 -0.11947E-01 -0.98970E-02 5197 0.701E-01 0.808E-01 RMM: 3 -0.319722673879E+03 0.49036E-02 -0.90597E-03 5703 0.195E-01 0.218E-01 RMM: 4 -0.319723020533E+03 -0.34665E-03 -0.13679E-03 4810 0.911E-02 0.345E-01 RMM: 5 -0.319722312404E+03 0.70813E-03 -0.52876E-04 4510 0.613E-02 0.157E-01 RMM: 6 -0.319722170552E+03 0.14185E-03 -0.19497E-04 3896 0.372E-02 0.745E-02 RMM: 7 -0.319722210849E+03 -0.40298E-04 -0.66353E-05 3460 0.235E-02 0.113E-01 RMM: 8 -0.319722124159E+03 0.86690E-04 -0.33369E-05 2989 0.184E-02 0.300E-02 RMM: 9 -0.319722122418E+03 0.17417E-05 -0.12233E-05 2486 0.989E-03 2144 T= 6048. E= 0.67582563E+03 F= 0.62578916E+03 E0= 0.65388975E+03 EK= 0.50036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318479671079E+03 0.12425E+01 -0.20333E-01 8700 0.234E+01 0.267E-01 RMM: 2 -0.318492478381E+03 -0.12807E-01 -0.11104E-01 5242 0.720E-01 0.740E-01 RMM: 3 -0.318487818407E+03 0.46600E-02 -0.91548E-03 5748 0.194E-01 0.167E-01 RMM: 4 -0.318488268707E+03 -0.45030E-03 -0.10750E-03 4731 0.804E-02 0.341E-01 RMM: 5 -0.318487476880E+03 0.79183E-03 -0.42954E-04 4437 0.560E-02 0.819E-02 RMM: 6 -0.318487511013E+03 -0.34132E-04 -0.14450E-04 3880 0.314E-02 0.112E-01 RMM: 7 -0.318487461587E+03 0.49425E-04 -0.53348E-05 3343 0.222E-02 0.771E-02 RMM: 8 -0.318487421193E+03 0.40394E-04 -0.20345E-05 2622 0.142E-02 0.197E-02 RMM: 9 -0.318487421542E+03 -0.34911E-06 -0.69292E-06 2452 0.749E-03 2145 T= 6246. E= 0.67841229E+03 F= 0.62674142E+03 E0= 0.65481130E+03 EK= 0.51671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317218470876E+03 0.12690E+01 -0.22087E-01 8772 0.238E+01 0.280E-01 RMM: 2 -0.317233388397E+03 -0.14918E-01 -0.12390E-01 5341 0.756E-01 0.826E-01 RMM: 3 -0.317227750675E+03 0.56377E-02 -0.98229E-03 5866 0.198E-01 0.214E-01 RMM: 4 -0.317227804975E+03 -0.54300E-04 -0.12124E-03 4772 0.859E-02 0.284E-01 RMM: 5 -0.317227339127E+03 0.46585E-03 -0.47835E-04 4490 0.589E-02 0.149E-01 RMM: 6 -0.317227241361E+03 0.97766E-04 -0.17710E-04 3884 0.352E-02 0.936E-02 RMM: 7 -0.317227265378E+03 -0.24018E-04 -0.76919E-05 3603 0.255E-02 0.117E-01 RMM: 8 -0.317227170944E+03 0.94434E-04 -0.38318E-05 3128 0.191E-02 0.277E-02 RMM: 9 -0.317227172043E+03 -0.10992E-05 -0.13295E-05 2496 0.101E-02 2146 T= 6518. E= 0.68165606E+03 F= 0.62773202E+03 E0= 0.65577553E+03 EK= 0.53924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315927703981E+03 0.12995E+01 -0.24454E-01 8844 0.243E+01 0.267E-01 RMM: 2 -0.315945824643E+03 -0.18121E-01 -0.15118E-01 5324 0.826E-01 0.863E-01 RMM: 3 -0.315939318994E+03 0.65056E-02 -0.11670E-02 5927 0.213E-01 0.177E-01 RMM: 4 -0.315939426976E+03 -0.10798E-03 -0.11271E-03 4785 0.816E-02 0.278E-01 RMM: 5 -0.315938939323E+03 0.48765E-03 -0.41727E-04 4450 0.554E-02 0.117E-01 RMM: 6 -0.315938918805E+03 0.20518E-04 -0.15904E-04 3885 0.330E-02 0.107E-01 RMM: 7 -0.315938911096E+03 0.77095E-05 -0.74569E-05 3555 0.250E-02 2147 T= 6775. E= 0.68481248E+03 F= 0.62876337E+03 E0= 0.65678432E+03 EK= 0.56049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314616304520E+03 0.13226E+01 -0.27544E-01 9036 0.246E+01 0.283E-01 RMM: 2 -0.314634358572E+03 -0.18054E-01 -0.16579E-01 5358 0.862E-01 0.732E-01 RMM: 3 -0.314629208257E+03 0.51503E-02 -0.12322E-02 5959 0.218E-01 0.213E-01 RMM: 4 -0.314629293424E+03 -0.85167E-04 -0.11995E-03 4828 0.850E-02 0.303E-01 RMM: 5 -0.314628670319E+03 0.62310E-03 -0.51027E-04 4503 0.600E-02 0.110E-01 RMM: 6 -0.314628721143E+03 -0.50823E-04 -0.17703E-04 3886 0.342E-02 0.143E-01 RMM: 7 -0.314628634651E+03 0.86492E-04 -0.95759E-05 3772 0.284E-02 0.995E-02 RMM: 8 -0.314628568791E+03 0.65860E-04 -0.43060E-05 3183 0.194E-02 0.294E-02 RMM: 9 -0.314628576210E+03 -0.74185E-05 -0.16141E-05 2525 0.113E-02 2148 T= 6918. E= 0.68705853E+03 F= 0.62982770E+03 E0= 0.65783142E+03 EK= 0.57231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313312515376E+03 0.13161E+01 -0.29814E-01 8928 0.246E+01 0.263E-01 RMM: 2 -0.313333297240E+03 -0.20782E-01 -0.18155E-01 5338 0.901E-01 0.838E-01 RMM: 3 -0.313326852243E+03 0.64450E-02 -0.13360E-02 6091 0.227E-01 0.186E-01 RMM: 4 -0.313326827479E+03 0.24764E-04 -0.11132E-03 4802 0.801E-02 0.251E-01 RMM: 5 -0.313326467269E+03 0.36021E-03 -0.34714E-04 4166 0.500E-02 0.132E-01 RMM: 6 -0.313326379065E+03 0.88204E-04 -0.14221E-04 3866 0.328E-02 0.707E-02 RMM: 7 -0.313326420067E+03 -0.41001E-04 -0.58958E-05 3392 0.216E-02 0.107E-01 RMM: 8 -0.313326341506E+03 0.78561E-04 -0.32178E-05 2979 0.184E-02 0.226E-02 RMM: 9 -0.313326340857E+03 0.64890E-06 -0.80457E-06 2468 0.789E-03 2149 T= 6888. E= 0.68787453E+03 F= 0.63089195E+03 E0= 0.65888107E+03 EK= 0.56983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312077480620E+03 0.12489E+01 -0.31011E-01 8964 0.244E+01 0.281E-01 RMM: 2 -0.312096236922E+03 -0.18756E-01 -0.18255E-01 5614 0.888E-01 0.636E-01 RMM: 3 -0.312091724942E+03 0.45120E-02 -0.11706E-02 5989 0.213E-01 0.205E-01 RMM: 4 -0.312091982442E+03 -0.25750E-03 -0.11925E-03 4817 0.847E-02 0.332E-01 RMM: 5 -0.312091235628E+03 0.74681E-03 -0.46011E-04 4289 0.554E-02 0.997E-02 RMM: 6 -0.312091241877E+03 -0.62493E-05 -0.14299E-04 3879 0.316E-02 2150 T= 6702. E= 0.68734049E+03 F= 0.63189413E+03 E0= 0.65986988E+03 EK= 0.55446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310985585664E+03 0.11056E+01 -0.30300E-01 8892 0.240E+01 0.438E-01 RMM: 2 -0.311027386517E+03 -0.41801E-01 -0.19187E-01 5251 0.956E-01 0.199E+00 RMM: 3 -0.310999761981E+03 0.27625E-01 -0.21120E-02 5398 0.336E-01 0.355E-01 RMM: 4 -0.310999178034E+03 0.58395E-03 -0.26695E-03 5216 0.111E-01 0.248E-01 RMM: 5 -0.310999049101E+03 0.12893E-03 -0.57428E-04 4459 0.560E-02 0.233E-01 RMM: 6 -0.310998713299E+03 0.33580E-03 -0.26458E-04 3887 0.432E-02 0.917E-02 RMM: 7 -0.310998757366E+03 -0.44066E-04 -0.14145E-04 3877 0.318E-02 0.123E-01 RMM: 8 -0.310998661511E+03 0.95854E-04 -0.65451E-05 3456 0.237E-02 0.562E-02 RMM: 9 -0.310998642159E+03 0.19352E-04 -0.18643E-05 2586 0.130E-02 2151 T= 6444. E= 0.68606592E+03 F= 0.63275680E+03 E0= 0.66072032E+03 EK= 0.53309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310110100492E+03 0.88856E+00 -0.27854E-01 8916 0.236E+01 0.399E-01 RMM: 2 -0.310151304370E+03 -0.41204E-01 -0.17292E-01 5357 0.900E-01 0.198E+00 RMM: 3 -0.310122834642E+03 0.28470E-01 -0.17893E-02 5376 0.312E-01 0.354E-01 RMM: 4 -0.310122214594E+03 0.62005E-03 -0.26693E-03 5198 0.114E-01 0.231E-01 RMM: 5 -0.310122187936E+03 0.26658E-04 -0.50245E-04 4397 0.549E-02 0.236E-01 RMM: 6 -0.310121802231E+03 0.38570E-03 -0.20234E-04 3878 0.382E-02 0.520E-02 RMM: 7 -0.310121842968E+03 -0.40737E-04 -0.81884E-05 3572 0.235E-02 0.979E-02 RMM: 8 -0.310121782585E+03 0.60383E-04 -0.43956E-05 3132 0.208E-02 0.348E-02 RMM: 9 -0.310121776704E+03 0.58808E-05 -0.11948E-05 2494 0.101E-02 2152 T= 6216. E= 0.68482930E+03 F= 0.63340607E+03 E0= 0.66135659E+03 EK= 0.51423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309506525355E+03 0.61526E+00 -0.25779E-01 8916 0.234E+01 0.333E-01 RMM: 2 -0.309531989389E+03 -0.25464E-01 -0.16334E-01 5428 0.867E-01 0.135E+00 RMM: 3 -0.309518955767E+03 0.13034E-01 -0.13662E-02 5580 0.249E-01 0.264E-01 RMM: 4 -0.309518847449E+03 0.10832E-03 -0.17756E-03 4815 0.957E-02 0.267E-01 RMM: 5 -0.309518434502E+03 0.41295E-03 -0.39305E-04 3945 0.478E-02 0.147E-01 RMM: 6 -0.309518315164E+03 0.11934E-03 -0.14442E-04 3879 0.332E-02 0.781E-02 RMM: 7 -0.309518362463E+03 -0.47299E-04 -0.10446E-04 3820 0.270E-02 0.116E-01 RMM: 8 -0.309518272119E+03 0.90343E-04 -0.54141E-05 3313 0.224E-02 0.384E-02 RMM: 9 -0.309518264115E+03 0.80044E-05 -0.13341E-05 2509 0.108E-02 2153 T= 6099. E= 0.68423677E+03 F= 0.63378520E+03 E0= 0.66172172E+03 EK= 0.50452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309207386888E+03 0.31089E+00 -0.24153E-01 8928 0.234E+01 0.289E-01 RMM: 2 -0.309228157627E+03 -0.20771E-01 -0.15320E-01 5441 0.836E-01 0.104E+00 RMM: 3 -0.309219162777E+03 0.89948E-02 -0.12206E-02 5633 0.226E-01 0.206E-01 RMM: 4 -0.309219290342E+03 -0.12757E-03 -0.13704E-03 4757 0.855E-02 0.283E-01 RMM: 5 -0.309218780930E+03 0.50941E-03 -0.34845E-04 3941 0.465E-02 0.121E-01 RMM: 6 -0.309218711586E+03 0.69344E-04 -0.12052E-04 3849 0.302E-02 0.760E-02 RMM: 7 -0.309218760527E+03 -0.48941E-04 -0.86286E-05 3632 0.247E-02 0.118E-01 RMM: 8 -0.309218663566E+03 0.96961E-04 -0.52344E-05 3278 0.227E-02 0.251E-02 RMM: 9 -0.309218663874E+03 -0.30729E-06 -0.11934E-05 2493 0.979E-03 2154 T= 6129. E= 0.68457094E+03 F= 0.63386544E+03 E0= 0.66178657E+03 EK= 0.50705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309211363061E+03 0.73005E-02 -0.22676E-01 8916 0.238E+01 0.254E-01 RMM: 2 -0.309228970200E+03 -0.17607E-01 -0.14328E-01 5489 0.810E-01 0.881E-01 RMM: 3 -0.309222673471E+03 0.62967E-02 -0.10906E-02 5847 0.206E-01 0.199E-01 RMM: 4 -0.309222577794E+03 0.95677E-04 -0.10913E-03 4703 0.785E-02 0.222E-01 RMM: 5 -0.309222268860E+03 0.30893E-03 -0.30253E-04 3937 0.442E-02 0.111E-01 RMM: 6 -0.309222224582E+03 0.44278E-04 -0.11276E-04 3849 0.297E-02 0.814E-02 RMM: 7 -0.309222259635E+03 -0.35052E-04 -0.72060E-05 3552 0.233E-02 0.112E-01 RMM: 8 -0.309222174160E+03 0.85475E-04 -0.41366E-05 3124 0.203E-02 0.295E-02 RMM: 9 -0.309222171251E+03 0.29093E-05 -0.10861E-05 2482 0.930E-03 2155 T= 6299. E= 0.68576188E+03 F= 0.63364951E+03 E0= 0.66155419E+03 EK= 0.52112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309481757654E+03 -0.25958E+00 -0.22149E-01 8856 0.244E+01 0.257E-01 RMM: 2 -0.309501258185E+03 -0.19501E-01 -0.14023E-01 5387 0.815E-01 0.102E+00 RMM: 3 -0.309492856711E+03 0.84015E-02 -0.11885E-02 5722 0.221E-01 0.183E-01 RMM: 4 -0.309492764833E+03 0.91878E-04 -0.10607E-03 4734 0.741E-02 0.207E-01 RMM: 5 -0.309492478262E+03 0.28657E-03 -0.27683E-04 3917 0.435E-02 0.102E-01 RMM: 6 -0.309492469207E+03 0.90545E-05 -0.12526E-04 3878 0.305E-02 2156 T= 6553. E= 0.68738944E+03 F= 0.63317488E+03 E0= 0.66106129E+03 EK= 0.54215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309950918928E+03 -0.45844E+00 -0.22061E-01 8664 0.250E+01 0.391E-01 RMM: 2 -0.309989049119E+03 -0.38130E-01 -0.14053E-01 5216 0.855E-01 0.198E+00 RMM: 3 -0.309961268200E+03 0.27781E-01 -0.18465E-02 5366 0.322E-01 0.341E-01 RMM: 4 -0.309960511085E+03 0.75712E-03 -0.21334E-03 4945 0.936E-02 0.159E-01 RMM: 5 -0.309960480447E+03 0.30638E-04 -0.42629E-04 4240 0.526E-02 0.179E-01 RMM: 6 -0.309960307690E+03 0.17276E-03 -0.25278E-04 3889 0.443E-02 0.103E-01 RMM: 7 -0.309960377411E+03 -0.69721E-04 -0.15671E-04 3886 0.341E-02 0.141E-01 RMM: 8 -0.309960248689E+03 0.12872E-03 -0.88743E-05 3733 0.279E-02 0.614E-02 RMM: 9 -0.309960228464E+03 0.20225E-04 -0.26216E-05 2842 0.155E-02 0.367E-02 RMM: 10 -0.309960230504E+03 -0.20399E-05 -0.18762E-05 2532 0.127E-02 2157 T= 6797. E= 0.68874174E+03 F= 0.63251075E+03 E0= 0.66037847E+03 EK= 0.56231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310528219087E+03 -0.56799E+00 -0.22122E-01 8472 0.255E+01 0.363E-01 RMM: 2 -0.310562790439E+03 -0.34571E-01 -0.13196E-01 5116 0.850E-01 0.184E+00 RMM: 3 -0.310538445011E+03 0.24345E-01 -0.17417E-02 5386 0.313E-01 0.386E-01 RMM: 4 -0.310537395736E+03 0.10493E-02 -0.22647E-03 5009 0.101E-01 0.145E-01 RMM: 5 -0.310537391549E+03 0.41870E-05 -0.42457E-04 4340 0.538E-02 0.162E-01 RMM: 6 -0.310537215661E+03 0.17589E-03 -0.14698E-04 3872 0.327E-02 0.626E-02 RMM: 7 -0.310537266359E+03 -0.50698E-04 -0.87591E-05 3677 0.249E-02 0.107E-01 RMM: 8 -0.310537192535E+03 0.73824E-04 -0.44978E-05 3151 0.215E-02 0.387E-02 RMM: 9 -0.310537184034E+03 0.85012E-05 -0.11961E-05 2497 0.103E-02 2158 T= 6927. E= 0.68904948E+03 F= 0.63174402E+03 E0= 0.65959248E+03 EK= 0.57305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311140027985E+03 -0.60284E+00 -0.22386E-01 8544 0.257E+01 0.248E-01 RMM: 2 -0.311156764074E+03 -0.16736E-01 -0.11918E-01 5237 0.786E-01 0.977E-01 RMM: 3 -0.311149594196E+03 0.71699E-02 -0.11497E-02 5701 0.217E-01 0.192E-01 RMM: 4 -0.311149372841E+03 0.22136E-03 -0.93274E-04 4663 0.702E-02 0.175E-01 RMM: 5 -0.311149204106E+03 0.16873E-03 -0.29780E-04 4043 0.462E-02 0.125E-01 RMM: 6 -0.311149168804E+03 0.35302E-04 -0.17618E-04 3882 0.363E-02 0.109E-01 RMM: 7 -0.311149201762E+03 -0.32958E-04 -0.10603E-04 3816 0.286E-02 0.130E-01 RMM: 8 -0.311149086322E+03 0.11544E-03 -0.56626E-05 3382 0.225E-02 0.410E-02 RMM: 9 -0.311149079532E+03 0.67907E-05 -0.16123E-05 2528 0.118E-02 2159 T= 6882. E= 0.68787800E+03 F= 0.63094677E+03 E0= 0.65877800E+03 EK= 0.56931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311750487655E+03 -0.60140E+00 -0.22007E-01 8424 0.255E+01 0.272E-01 RMM: 2 -0.311769845437E+03 -0.19358E-01 -0.12509E-01 5038 0.826E-01 0.114E+00 RMM: 3 -0.311760594457E+03 0.92510E-02 -0.13535E-02 5674 0.242E-01 0.262E-01 RMM: 4 -0.311760092880E+03 0.50158E-03 -0.12538E-03 4811 0.805E-02 0.151E-01 RMM: 5 -0.311760031477E+03 0.61403E-04 -0.29916E-04 3991 0.448E-02 0.142E-01 RMM: 6 -0.311759909750E+03 0.12173E-03 -0.13906E-04 3878 0.333E-02 0.677E-02 RMM: 7 -0.311759969079E+03 -0.59329E-04 -0.83491E-05 3619 0.251E-02 0.116E-01 RMM: 8 -0.311759880416E+03 0.88663E-04 -0.41662E-05 3121 0.207E-02 0.440E-02 RMM: 9 -0.311759868610E+03 0.11806E-04 -0.13555E-05 2506 0.108E-02 2160 T= 6679. E= 0.68540937E+03 F= 0.63015288E+03 E0= 0.65797053E+03 EK= 0.55256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312357281482E+03 -0.59740E+00 -0.21030E-01 8580 0.250E+01 0.260E-01 RMM: 2 -0.312375625096E+03 -0.18344E-01 -0.11357E-01 5029 0.773E-01 0.111E+00 RMM: 3 -0.312366290743E+03 0.93344E-02 -0.12112E-02 5553 0.231E-01 0.198E-01 RMM: 4 -0.312366168469E+03 0.12227E-03 -0.11729E-03 4763 0.780E-02 0.194E-01 RMM: 5 -0.312365983244E+03 0.18522E-03 -0.26571E-04 3899 0.414E-02 0.139E-01 RMM: 6 -0.312365884997E+03 0.98248E-04 -0.12605E-04 3868 0.312E-02 0.751E-02 RMM: 7 -0.312365922386E+03 -0.37389E-04 -0.86464E-05 3623 0.252E-02 0.109E-01 RMM: 8 -0.312365841563E+03 0.80822E-04 -0.47089E-05 3230 0.216E-02 0.290E-02 RMM: 9 -0.312365839135E+03 0.24286E-05 -0.12477E-05 2495 0.103E-02 2161 T= 6404. E= 0.68234022E+03 F= 0.62936464E+03 E0= 0.65717324E+03 EK= 0.52976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312961668265E+03 -0.59583E+00 -0.19981E-01 8172 0.245E+01 0.237E-01 RMM: 2 -0.312976008729E+03 -0.14340E-01 -0.10575E-01 4937 0.753E-01 0.894E-01 RMM: 3 -0.312970168591E+03 0.58401E-02 -0.11381E-02 5783 0.212E-01 0.195E-01 RMM: 4 -0.312969960614E+03 0.20798E-03 -0.97586E-04 4728 0.741E-02 0.181E-01 RMM: 5 -0.312969798461E+03 0.16215E-03 -0.25878E-04 3965 0.430E-02 0.122E-01 RMM: 6 -0.312969714101E+03 0.84360E-04 -0.10059E-04 3692 0.285E-02 0.632E-02 RMM: 7 -0.312969755133E+03 -0.41032E-04 -0.69363E-05 3496 0.232E-02 0.102E-01 RMM: 8 -0.312969686182E+03 0.68951E-04 -0.35097E-05 3007 0.195E-02 0.311E-02 RMM: 9 -0.312969681020E+03 0.51618E-05 -0.92190E-06 2469 0.878E-03 2162 T= 6155. E= 0.67949865E+03 F= 0.62857915E+03 E0= 0.65638337E+03 EK= 0.50920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313547402768E+03 -0.57772E+00 -0.18457E-01 8328 0.241E+01 0.229E-01 RMM: 2 -0.313559448267E+03 -0.12045E-01 -0.84790E-02 5147 0.661E-01 0.859E-01 RMM: 3 -0.313553893971E+03 0.55543E-02 -0.82624E-03 5674 0.184E-01 0.155E-01 RMM: 4 -0.313553905752E+03 -0.11780E-04 -0.80118E-04 4644 0.676E-02 0.206E-01 RMM: 5 -0.313553644807E+03 0.26094E-03 -0.24303E-04 3900 0.416E-02 0.107E-01 RMM: 6 -0.313553607732E+03 0.37075E-04 -0.11805E-04 3865 0.305E-02 0.828E-02 RMM: 7 -0.313553631272E+03 -0.23540E-04 -0.63295E-05 3427 0.223E-02 0.106E-01 RMM: 8 -0.313553554232E+03 0.77040E-04 -0.37674E-05 3061 0.197E-02 0.252E-02 RMM: 9 -0.313553553206E+03 0.10257E-05 -0.96655E-06 2477 0.891E-03 2163 T= 6008. E= 0.67751927E+03 F= 0.62781535E+03 E0= 0.65561993E+03 EK= 0.49704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314066491740E+03 -0.51294E+00 -0.18192E-01 8772 0.239E+01 0.223E-01 RMM: 2 -0.314080357607E+03 -0.13866E-01 -0.92464E-02 5105 0.695E-01 0.944E-01 RMM: 3 -0.314073849431E+03 0.65082E-02 -0.96098E-03 5716 0.196E-01 0.169E-01 RMM: 4 -0.314073687884E+03 0.16155E-03 -0.79513E-04 4676 0.660E-02 0.163E-01 RMM: 5 -0.314073537463E+03 0.15042E-03 -0.22486E-04 3907 0.414E-02 0.104E-01 RMM: 6 -0.314073496540E+03 0.40923E-04 -0.10216E-04 3733 0.285E-02 0.778E-02 RMM: 7 -0.314073529167E+03 -0.32627E-04 -0.69273E-05 3516 0.234E-02 0.108E-01 RMM: 8 -0.314073450443E+03 0.78724E-04 -0.37511E-05 3053 0.197E-02 0.260E-02 RMM: 9 -0.314073448613E+03 0.18305E-05 -0.97056E-06 2475 0.878E-03 2164 T= 5996. E= 0.67672253E+03 F= 0.62711926E+03 E0= 0.65492797E+03 EK= 0.49603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314459114421E+03 -0.38566E+00 -0.19011E-01 8532 0.240E+01 0.220E-01 RMM: 2 -0.314474148248E+03 -0.15034E-01 -0.11013E-01 5135 0.750E-01 0.898E-01 RMM: 3 -0.314468161514E+03 0.59867E-02 -0.11312E-02 5823 0.205E-01 0.165E-01 RMM: 4 -0.314467943840E+03 0.21767E-03 -0.77043E-04 4697 0.643E-02 0.158E-01 RMM: 5 -0.314467773770E+03 0.17007E-03 -0.19817E-04 3893 0.392E-02 0.885E-02 RMM: 6 -0.314467786658E+03 -0.12888E-04 -0.11370E-04 3868 0.292E-02 2165 T= 6112. E= 0.67711994E+03 F= 0.62655469E+03 E0= 0.65437158E+03 EK= 0.50565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314661470551E+03 -0.19370E+00 -0.19549E-01 8916 0.243E+01 0.355E-01 RMM: 2 -0.314693451999E+03 -0.31981E-01 -0.10561E-01 5353 0.733E-01 0.185E+00 RMM: 3 -0.314669108107E+03 0.24344E-01 -0.15146E-02 5360 0.293E-01 0.303E-01 RMM: 4 -0.314668534514E+03 0.57359E-03 -0.16623E-03 4810 0.803E-02 0.139E-01 RMM: 5 -0.314668449553E+03 0.84961E-04 -0.29339E-04 3945 0.472E-02 0.140E-01 RMM: 6 -0.314668345004E+03 0.10455E-03 -0.16577E-04 3885 0.360E-02 0.892E-02 RMM: 7 -0.314668449918E+03 -0.10491E-03 -0.15150E-04 3888 0.338E-02 0.152E-01 RMM: 8 -0.314668287330E+03 0.16259E-03 -0.84119E-05 3607 0.269E-02 0.418E-02 RMM: 9 -0.314668282227E+03 0.51029E-05 -0.21129E-05 2610 0.134E-02 2166 T= 6316. E= 0.67844097E+03 F= 0.62619167E+03 E0= 0.65401898E+03 EK= 0.52249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314609075827E+03 0.59212E-01 -0.20527E-01 9024 0.246E+01 0.313E-01 RMM: 2 -0.314637713159E+03 -0.28637E-01 -0.11240E-01 5357 0.740E-01 0.168E+00 RMM: 3 -0.314617696271E+03 0.20017E-01 -0.13437E-02 5385 0.266E-01 0.300E-01 RMM: 4 -0.314617065181E+03 0.63109E-03 -0.16568E-03 4706 0.869E-02 0.135E-01 RMM: 5 -0.314616997653E+03 0.67528E-04 -0.27152E-04 3920 0.438E-02 0.121E-01 RMM: 6 -0.314616895827E+03 0.10183E-03 -0.94575E-05 3827 0.279E-02 0.505E-02 RMM: 7 -0.314616932013E+03 -0.36185E-04 -0.59019E-05 3305 0.201E-02 0.100E-01 RMM: 8 -0.314616865914E+03 0.66099E-04 -0.41288E-05 3062 0.208E-02 0.248E-02 RMM: 9 -0.314616863671E+03 0.22433E-05 -0.10335E-05 2471 0.906E-03 2167 T= 6537. E= 0.68017140E+03 F= 0.62608916E+03 E0= 0.65392918E+03 EK= 0.54082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314274539990E+03 0.34233E+00 -0.22021E-01 8760 0.249E+01 0.226E-01 RMM: 2 -0.314292307409E+03 -0.17767E-01 -0.12312E-01 5362 0.743E-01 0.101E+00 RMM: 3 -0.314284260127E+03 0.80473E-02 -0.10948E-02 5812 0.207E-01 0.195E-01 RMM: 4 -0.314283937616E+03 0.32251E-03 -0.83196E-04 4715 0.625E-02 0.128E-01 RMM: 5 -0.314283820063E+03 0.11755E-03 -0.18291E-04 3885 0.361E-02 0.101E-01 RMM: 6 -0.314283793990E+03 0.26073E-04 -0.10625E-04 3791 0.282E-02 0.904E-02 RMM: 7 -0.314283816966E+03 -0.22976E-04 -0.99980E-05 3868 0.266E-02 0.118E-01 RMM: 8 -0.314283717797E+03 0.99169E-04 -0.45839E-05 3211 0.196E-02 0.289E-02 RMM: 9 -0.314283716401E+03 0.13956E-05 -0.15128E-05 2502 0.107E-02 2168 T= 6697. E= 0.68167964E+03 F= 0.62627686E+03 E0= 0.65413059E+03 EK= 0.55403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313678947033E+03 0.60477E+00 -0.22644E-01 8700 0.250E+01 0.211E-01 RMM: 2 -0.313694827489E+03 -0.15880E-01 -0.13012E-01 5305 0.760E-01 0.809E-01 RMM: 3 -0.313689232706E+03 0.55948E-02 -0.11281E-02 6126 0.200E-01 0.143E-01 RMM: 4 -0.313689053245E+03 0.17946E-03 -0.70121E-04 4694 0.607E-02 0.162E-01 RMM: 5 -0.313688881581E+03 0.17166E-03 -0.15643E-04 3883 0.330E-02 0.841E-02 RMM: 6 -0.313688855320E+03 0.26260E-04 -0.65910E-05 3411 0.231E-02 0.661E-02 RMM: 7 -0.313688868758E+03 -0.13437E-04 -0.56498E-05 3303 0.210E-02 2169 T= 6736. E= 0.68245910E+03 F= 0.62673394E+03 E0= 0.65460086E+03 EK= 0.55725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312902778885E+03 0.78608E+00 -0.23610E-01 8688 0.248E+01 0.226E-01 RMM: 2 -0.312919234339E+03 -0.16455E-01 -0.14090E-01 5359 0.795E-01 0.763E-01 RMM: 3 -0.312914098562E+03 0.51358E-02 -0.11665E-02 6105 0.204E-01 0.182E-01 RMM: 4 -0.312913898535E+03 0.20003E-03 -0.81019E-04 4652 0.675E-02 0.186E-01 RMM: 5 -0.312913655499E+03 0.24304E-03 -0.19545E-04 3882 0.358E-02 0.830E-02 RMM: 6 -0.312913650830E+03 0.46684E-05 -0.78188E-05 3517 0.244E-02 2170 T= 6648. E= 0.68237196E+03 F= 0.62737808E+03 E0= 0.65525929E+03 EK= 0.54994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312080659117E+03 0.83300E+00 -0.23343E-01 8616 0.244E+01 0.361E-01 RMM: 2 -0.312118474276E+03 -0.37815E-01 -0.15534E-01 5140 0.880E-01 0.189E+00 RMM: 3 -0.312092684663E+03 0.25790E-01 -0.18408E-02 5398 0.314E-01 0.309E-01 RMM: 4 -0.312092093559E+03 0.59110E-03 -0.21022E-03 5070 0.921E-02 0.155E-01 RMM: 5 -0.312092014279E+03 0.79280E-04 -0.26809E-04 3917 0.389E-02 0.134E-01 RMM: 6 -0.312091900853E+03 0.11343E-03 -0.84687E-05 3551 0.261E-02 0.561E-02 RMM: 7 -0.312091923840E+03 -0.22987E-04 -0.50534E-05 3222 0.201E-02 0.833E-02 RMM: 8 -0.312091883487E+03 0.40353E-04 -0.50397E-05 3050 0.195E-02 0.454E-02 RMM: 9 -0.312091871344E+03 0.12143E-04 -0.17093E-05 2516 0.125E-02 2171 T= 6481. E= 0.68169200E+03 F= 0.62807471E+03 E0= 0.65597012E+03 EK= 0.53617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311357090632E+03 0.73479E+00 -0.22063E-01 8412 0.240E+01 0.375E-01 RMM: 2 -0.311395229981E+03 -0.38139E-01 -0.15939E-01 4977 0.913E-01 0.188E+00 RMM: 3 -0.311369689801E+03 0.25540E-01 -0.20244E-02 5402 0.327E-01 0.370E-01 RMM: 4 -0.311368767050E+03 0.92275E-03 -0.25231E-03 5194 0.107E-01 0.150E-01 RMM: 5 -0.311368789051E+03 -0.22001E-04 -0.34749E-04 3920 0.426E-02 0.170E-01 RMM: 6 -0.311368589210E+03 0.19984E-03 -0.10599E-04 3740 0.290E-02 0.424E-02 RMM: 7 -0.311368588863E+03 0.34625E-06 -0.24691E-05 2633 0.140E-02 2172 T= 6314. E= 0.68091617E+03 F= 0.62867856E+03 E0= 0.65658828E+03 EK= 0.52238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310839186009E+03 0.52940E+00 -0.20816E-01 8172 0.237E+01 0.257E-01 RMM: 2 -0.310862590494E+03 -0.23404E-01 -0.13161E-01 5120 0.811E-01 0.130E+00 RMM: 3 -0.310849900000E+03 0.12690E-01 -0.13702E-02 5511 0.248E-01 0.191E-01 RMM: 4 -0.310849724360E+03 0.17564E-03 -0.12432E-03 4750 0.755E-02 0.168E-01 RMM: 5 -0.310849601189E+03 0.12317E-03 -0.20387E-04 3898 0.360E-02 0.115E-01 RMM: 6 -0.310849516874E+03 0.84315E-04 -0.64254E-05 3382 0.229E-02 0.460E-02 RMM: 7 -0.310849556326E+03 -0.39452E-04 -0.57055E-05 3350 0.212E-02 0.924E-02 RMM: 8 -0.310849499044E+03 0.57282E-04 -0.37191E-05 2971 0.191E-02 0.259E-02 RMM: 9 -0.310849496304E+03 0.27407E-05 -0.96448E-06 2469 0.894E-03 2173 T= 6216. E= 0.68050443E+03 F= 0.62908428E+03 E0= 0.65700956E+03 EK= 0.51420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310558246154E+03 0.29125E+00 -0.20336E-01 8076 0.237E+01 0.191E-01 RMM: 2 -0.310572866251E+03 -0.14620E-01 -0.12047E-01 4914 0.786E-01 0.752E-01 RMM: 3 -0.310568339979E+03 0.45263E-02 -0.12810E-02 5931 0.212E-01 0.139E-01 RMM: 4 -0.310568151390E+03 0.18859E-03 -0.76848E-04 4699 0.660E-02 0.155E-01 RMM: 5 -0.310567995960E+03 0.15543E-03 -0.15551E-04 3869 0.323E-02 0.752E-02 RMM: 6 -0.310567966395E+03 0.29565E-04 -0.39889E-05 3055 0.189E-02 0.397E-02 RMM: 7 -0.310567979053E+03 -0.12658E-04 -0.27597E-05 2638 0.160E-02 2174 T= 6220. E= 0.68071155E+03 F= 0.62925913E+03 E0= 0.65720182E+03 EK= 0.51452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310473535763E+03 0.94431E-01 -0.19948E-01 8244 0.239E+01 0.168E-01 RMM: 2 -0.310487737889E+03 -0.14202E-01 -0.12436E-01 4992 0.796E-01 0.657E-01 RMM: 3 -0.310484423596E+03 0.33143E-02 -0.13541E-02 6107 0.202E-01 0.145E-01 RMM: 4 -0.310484096150E+03 0.32745E-03 -0.62687E-04 4502 0.600E-02 0.109E-01 RMM: 5 -0.310484013812E+03 0.82337E-04 -0.12011E-04 3877 0.314E-02 0.628E-02 RMM: 6 -0.310484021203E+03 -0.73901E-05 -0.55283E-05 3280 0.208E-02 2175 T= 6321. E= 0.68153225E+03 F= 0.62924376E+03 E0= 0.65720642E+03 EK= 0.52288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310501029967E+03 -0.17016E-01 -0.21370E-01 7932 0.243E+01 0.268E-01 RMM: 2 -0.310528650101E+03 -0.27620E-01 -0.14760E-01 4988 0.885E-01 0.145E+00 RMM: 3 -0.310513159300E+03 0.15491E-01 -0.17259E-02 5524 0.274E-01 0.211E-01 RMM: 4 -0.310512764869E+03 0.39443E-03 -0.14069E-03 5100 0.727E-02 0.107E-01 RMM: 5 -0.310512687751E+03 0.77118E-04 -0.16369E-04 3902 0.340E-02 0.811E-02 RMM: 6 -0.310512664082E+03 0.23669E-04 -0.48697E-05 3140 0.201E-02 0.687E-02 RMM: 7 -0.310512689663E+03 -0.25581E-04 -0.68253E-05 3567 0.232E-02 0.961E-02 RMM: 8 -0.310512625748E+03 0.63915E-04 -0.38477E-05 3066 0.186E-02 0.338E-02 RMM: 9 -0.310512623851E+03 0.18967E-05 -0.15298E-05 2499 0.112E-02 2176 T= 6477. E= 0.68270947E+03 F= 0.62912349E+03 E0= 0.65710753E+03 EK= 0.53586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310552322598E+03 -0.39697E-01 -0.20927E-01 8088 0.247E+01 0.267E-01 RMM: 2 -0.310575400490E+03 -0.23078E-01 -0.13177E-01 5052 0.843E-01 0.129E+00 RMM: 3 -0.310563117716E+03 0.12283E-01 -0.15016E-02 5523 0.259E-01 0.248E-01 RMM: 4 -0.310562636783E+03 0.48093E-03 -0.14027E-03 4795 0.794E-02 0.118E-01 RMM: 5 -0.310562545063E+03 0.91719E-04 -0.20787E-04 3883 0.373E-02 0.829E-02 RMM: 6 -0.310562509690E+03 0.35373E-04 -0.53026E-05 3234 0.211E-02 0.512E-02 RMM: 7 -0.310562517404E+03 -0.77139E-05 -0.34283E-05 2706 0.179E-02 2177 T= 6627. E= 0.68380921E+03 F= 0.62898949E+03 E0= 0.65699651E+03 EK= 0.54820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310555697751E+03 0.68119E-02 -0.20650E-01 8208 0.249E+01 0.207E-01 RMM: 2 -0.310573817709E+03 -0.18120E-01 -0.12622E-01 5086 0.812E-01 0.103E+00 RMM: 3 -0.310566446749E+03 0.73710E-02 -0.13861E-02 5871 0.222E-01 0.187E-01 RMM: 4 -0.310566034790E+03 0.41196E-03 -0.77106E-04 4864 0.594E-02 0.102E-01 RMM: 5 -0.310565964008E+03 0.70783E-04 -0.11128E-04 3852 0.286E-02 0.807E-02 RMM: 6 -0.310565952273E+03 0.11735E-04 -0.39585E-05 2932 0.182E-02 2178 T= 6706. E= 0.68438224E+03 F= 0.62890906E+03 E0= 0.65693905E+03 EK= 0.55473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310483585451E+03 0.82379E-01 -0.21699E-01 7944 0.249E+01 0.318E-01 RMM: 2 -0.310511704462E+03 -0.28119E-01 -0.14202E-01 4934 0.876E-01 0.155E+00 RMM: 3 -0.310494742416E+03 0.16962E-01 -0.18573E-02 5433 0.306E-01 0.240E-01 RMM: 4 -0.310494321467E+03 0.42095E-03 -0.19263E-03 5497 0.766E-02 0.106E-01 RMM: 5 -0.310494246868E+03 0.74599E-04 -0.15920E-04 3886 0.343E-02 0.954E-02 RMM: 6 -0.310494189192E+03 0.57676E-04 -0.50174E-05 3181 0.208E-02 0.567E-02 RMM: 7 -0.310494227103E+03 -0.37911E-04 -0.58857E-05 3408 0.215E-02 0.101E-01 RMM: 8 -0.310494157459E+03 0.69644E-04 -0.46313E-05 3013 0.183E-02 0.433E-02 RMM: 9 -0.310494148167E+03 0.92922E-05 -0.19774E-05 2524 0.127E-02 2179 T= 6680. E= 0.68417556E+03 F= 0.62891040E+03 E0= 0.65696409E+03 EK= 0.55265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310347884801E+03 0.14627E+00 -0.20801E-01 7824 0.248E+01 0.325E-01 RMM: 2 -0.310373613800E+03 -0.25729E-01 -0.12455E-01 5007 0.822E-01 0.153E+00 RMM: 3 -0.310357438782E+03 0.16175E-01 -0.16093E-02 5434 0.287E-01 0.284E-01 RMM: 4 -0.310356881001E+03 0.55778E-03 -0.17752E-03 4826 0.872E-02 0.136E-01 RMM: 5 -0.310356797890E+03 0.83112E-04 -0.24069E-04 3889 0.381E-02 0.107E-01 RMM: 6 -0.310356724975E+03 0.72915E-04 -0.60513E-05 3343 0.225E-02 0.408E-02 RMM: 7 -0.310356732353E+03 -0.73782E-05 -0.28793E-05 2671 0.158E-02 2180 T= 6562. E= 0.68327085E+03 F= 0.62898345E+03 E0= 0.65705756E+03 EK= 0.54287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310180564329E+03 0.17616E+00 -0.20713E-01 7944 0.245E+01 0.193E-01 RMM: 2 -0.310195734723E+03 -0.15170E-01 -0.10220E-01 5145 0.715E-01 0.959E-01 RMM: 3 -0.310188957395E+03 0.67773E-02 -0.10356E-02 5651 0.204E-01 0.177E-01 RMM: 4 -0.310188689410E+03 0.26799E-03 -0.73333E-04 4747 0.569E-02 0.981E-02 RMM: 5 -0.310188633117E+03 0.56293E-04 -0.11107E-04 3781 0.273E-02 0.784E-02 RMM: 6 -0.310188598348E+03 0.34769E-04 -0.38764E-05 3033 0.181E-02 0.534E-02 RMM: 7 -0.310188633326E+03 -0.34978E-04 -0.66746E-05 3512 0.215E-02 0.981E-02 RMM: 8 -0.310188567756E+03 0.65570E-04 -0.51581E-05 3144 0.193E-02 0.297E-02 RMM: 9 -0.310188563453E+03 0.43037E-05 -0.12905E-05 2478 0.102E-02 2181 T= 6400. E= 0.68203716E+03 F= 0.62909314E+03 E0= 0.65718443E+03 EK= 0.52944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310023103309E+03 0.16546E+00 -0.20095E-01 7884 0.242E+01 0.160E-01 RMM: 2 -0.310034305647E+03 -0.11202E-01 -0.95380E-02 4979 0.699E-01 0.646E-01 RMM: 3 -0.310031048284E+03 0.32574E-02 -0.10049E-02 6014 0.184E-01 0.114E-01 RMM: 4 -0.310030931944E+03 0.11634E-03 -0.55322E-04 4570 0.574E-02 0.148E-01 RMM: 5 -0.310030788095E+03 0.14385E-03 -0.11070E-04 3646 0.287E-02 0.671E-02 RMM: 6 -0.310030760665E+03 0.27430E-04 -0.26061E-05 2645 0.158E-02 0.295E-02 RMM: 7 -0.310030762332E+03 -0.16670E-05 -0.18534E-05 2513 0.129E-02 2182 T= 6255. E= 0.68094645E+03 F= 0.62919847E+03 E0= 0.65730262E+03 EK= 0.51748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309910139570E+03 0.12062E+00 -0.19539E-01 7800 0.240E+01 0.153E-01 RMM: 2 -0.309920569030E+03 -0.10429E-01 -0.87042E-02 5033 0.680E-01 0.640E-01 RMM: 3 -0.309917552174E+03 0.30169E-02 -0.95648E-03 6041 0.179E-01 0.150E-01 RMM: 4 -0.309917269432E+03 0.28274E-03 -0.45430E-04 4449 0.497E-02 0.800E-02 RMM: 5 -0.309917225880E+03 0.43552E-04 -0.64770E-05 3403 0.225E-02 0.564E-02 RMM: 6 -0.309917214363E+03 0.11516E-04 -0.23135E-05 2555 0.146E-02 2183 T= 6179. E= 0.68038414E+03 F= 0.62926585E+03 E0= 0.65737725E+03 EK= 0.51118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309856800223E+03 0.60426E-01 -0.19392E-01 7836 0.240E+01 0.225E-01 RMM: 2 -0.309874704069E+03 -0.17904E-01 -0.90880E-02 4899 0.712E-01 0.123E+00 RMM: 3 -0.309864272829E+03 0.10431E-01 -0.11250E-02 5455 0.232E-01 0.199E-01 RMM: 4 -0.309863999560E+03 0.27327E-03 -0.97708E-04 4824 0.616E-02 0.826E-02 RMM: 5 -0.309863970285E+03 0.29275E-04 -0.10889E-04 3827 0.272E-02 0.735E-02 RMM: 6 -0.309863939316E+03 0.30969E-04 -0.25372E-05 2618 0.149E-02 0.412E-02 RMM: 7 -0.309863952081E+03 -0.12764E-04 -0.26137E-05 2611 0.159E-02 2184 T= 6196. E= 0.68053993E+03 F= 0.62927961E+03 E0= 0.65739244E+03 EK= 0.51260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309860103366E+03 0.38360E-02 -0.19292E-01 7488 0.241E+01 0.253E-01 RMM: 2 -0.309879074439E+03 -0.18971E-01 -0.97703E-02 4896 0.756E-01 0.128E+00 RMM: 3 -0.309868065741E+03 0.11009E-01 -0.12472E-02 5445 0.246E-01 0.268E-01 RMM: 4 -0.309867523604E+03 0.54214E-03 -0.12059E-03 4748 0.730E-02 0.816E-02 RMM: 5 -0.309867551578E+03 -0.27975E-04 -0.17248E-04 3873 0.334E-02 0.110E-01 RMM: 6 -0.309867469437E+03 0.82142E-04 -0.46625E-05 3154 0.203E-02 0.286E-02 RMM: 7 -0.309867472545E+03 -0.31082E-05 -0.15833E-05 2521 0.122E-02 2185 T= 6301. E= 0.68137234E+03 F= 0.62924350E+03 E0= 0.65735104E+03 EK= 0.52129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309898965673E+03 -0.31496E-01 -0.19848E-01 7512 0.244E+01 0.190E-01 RMM: 2 -0.309914597248E+03 -0.15632E-01 -0.10218E-01 4901 0.751E-01 0.982E-01 RMM: 3 -0.309907739214E+03 0.68580E-02 -0.11834E-02 5607 0.215E-01 0.176E-01 RMM: 4 -0.309907440268E+03 0.29895E-03 -0.75120E-04 4773 0.587E-02 0.814E-02 RMM: 5 -0.309907404877E+03 0.35390E-04 -0.10148E-04 3736 0.269E-02 0.652E-02 RMM: 6 -0.309907380054E+03 0.24824E-04 -0.26346E-05 2608 0.156E-02 0.378E-02 RMM: 7 -0.309907388735E+03 -0.86816E-05 -0.20459E-05 2537 0.138E-02 2186 T= 6459. E= 0.68261479E+03 F= 0.62917791E+03 E0= 0.65727438E+03 EK= 0.53437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309947279956E+03 -0.39900E-01 -0.19824E-01 7692 0.247E+01 0.177E-01 RMM: 2 -0.309959649646E+03 -0.12370E-01 -0.10207E-01 4887 0.761E-01 0.722E-01 RMM: 3 -0.309956002281E+03 0.36474E-02 -0.12107E-02 5865 0.205E-01 0.133E-01 RMM: 4 -0.309955746085E+03 0.25620E-03 -0.63299E-04 4844 0.554E-02 0.991E-02 RMM: 5 -0.309955689553E+03 0.56532E-04 -0.91391E-05 3620 0.274E-02 0.626E-02 RMM: 6 -0.309955669676E+03 0.19877E-04 -0.24898E-05 2561 0.151E-02 2187 T= 6615. E= 0.68383286E+03 F= 0.62911071E+03 E0= 0.65719076E+03 EK= 0.54722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309981193030E+03 -0.25503E-01 -0.20171E-01 7548 0.249E+01 0.186E-01 RMM: 2 -0.309996928312E+03 -0.15735E-01 -0.11442E-01 4883 0.794E-01 0.905E-01 RMM: 3 -0.309991187138E+03 0.57412E-02 -0.13332E-02 5779 0.218E-01 0.185E-01 RMM: 4 -0.309990805960E+03 0.38118E-03 -0.75755E-04 4770 0.607E-02 0.864E-02 RMM: 5 -0.309990760722E+03 0.45238E-04 -0.10130E-04 3773 0.265E-02 0.665E-02 RMM: 6 -0.309990739693E+03 0.21029E-04 -0.25508E-05 2560 0.150E-02 0.518E-02 RMM: 7 -0.309990745651E+03 -0.59582E-05 -0.35521E-05 2792 0.181E-02 2188 T= 6709. E= 0.68456159E+03 F= 0.62906325E+03 E0= 0.65712348E+03 EK= 0.55498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310003221103E+03 -0.12481E-01 -0.19897E-01 7596 0.249E+01 0.223E-01 RMM: 2 -0.310021073794E+03 -0.17853E-01 -0.11036E-01 4881 0.799E-01 0.111E+00 RMM: 3 -0.310012495855E+03 0.85779E-02 -0.13194E-02 5632 0.229E-01 0.211E-01 RMM: 4 -0.310012115067E+03 0.38079E-03 -0.10350E-03 4738 0.724E-02 0.103E-01 RMM: 5 -0.310012100684E+03 0.14383E-04 -0.15429E-04 3834 0.302E-02 2189 T= 6705. E= 0.68450229E+03 F= 0.62903584E+03 E0= 0.65707356E+03 EK= 0.55466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310037043255E+03 -0.24928E-01 -0.20225E-01 7704 0.247E+01 0.160E-01 RMM: 2 -0.310051126380E+03 -0.14083E-01 -0.11069E-01 4995 0.762E-01 0.780E-01 RMM: 3 -0.310046689366E+03 0.44370E-02 -0.12027E-02 5838 0.199E-01 0.143E-01 RMM: 4 -0.310046396797E+03 0.29257E-03 -0.55040E-04 4644 0.528E-02 0.906E-02 RMM: 5 -0.310046337973E+03 0.58824E-04 -0.77914E-05 3553 0.247E-02 0.657E-02 RMM: 6 -0.310046324422E+03 0.13550E-04 -0.31010E-05 2665 0.167E-02 2190 T= 6608. E= 0.68366765E+03 F= 0.62900187E+03 E0= 0.65701743E+03 EK= 0.54666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310135095197E+03 -0.88757E-01 -0.20299E-01 7692 0.245E+01 0.266E-01 RMM: 2 -0.310162131111E+03 -0.27036E-01 -0.11675E-01 4838 0.805E-01 0.156E+00 RMM: 3 -0.310144690409E+03 0.17441E-01 -0.15224E-02 5401 0.276E-01 0.220E-01 RMM: 4 -0.310144358476E+03 0.33193E-03 -0.14926E-03 5026 0.730E-02 0.901E-02 RMM: 5 -0.310144336125E+03 0.22351E-04 -0.15213E-04 3876 0.305E-02 0.889E-02 RMM: 6 -0.310144285204E+03 0.50921E-04 -0.32658E-05 2908 0.171E-02 0.370E-02 RMM: 7 -0.310144285140E+03 0.63636E-07 -0.15749E-05 2505 0.127E-02 2191 T= 6462. E= 0.68236474E+03 F= 0.62891059E+03 E0= 0.65690335E+03 EK= 0.53454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310358198359E+03 -0.21391E+00 -0.19737E-01 7608 0.241E+01 0.352E-01 RMM: 2 -0.310395648702E+03 -0.37450E-01 -0.13628E-01 4907 0.891E-01 0.197E+00 RMM: 3 -0.310368817310E+03 0.26831E-01 -0.18892E-02 5395 0.317E-01 0.324E-01 RMM: 4 -0.310368014728E+03 0.80258E-03 -0.20627E-03 5040 0.929E-02 0.103E-01 RMM: 5 -0.310368059910E+03 -0.45181E-04 -0.27228E-04 3893 0.382E-02 0.136E-01 RMM: 6 -0.310367928493E+03 0.13142E-03 -0.67448E-05 3414 0.233E-02 0.386E-02 RMM: 7 -0.310367922447E+03 0.60453E-05 -0.17507E-05 2528 0.122E-02 2192 T= 6326. E= 0.68103053E+03 F= 0.62870025E+03 E0= 0.65666808E+03 EK= 0.52330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310761619630E+03 -0.39369E+00 -0.19454E-01 7632 0.239E+01 0.216E-01 RMM: 2 -0.310781261831E+03 -0.19642E-01 -0.11681E-01 4914 0.791E-01 0.116E+00 RMM: 3 -0.310771508302E+03 0.97535E-02 -0.13211E-02 5553 0.233E-01 0.202E-01 RMM: 4 -0.310771141263E+03 0.36704E-03 -0.97987E-04 4756 0.659E-02 0.841E-02 RMM: 5 -0.310771114925E+03 0.26338E-04 -0.13263E-04 3911 0.287E-02 0.757E-02 RMM: 6 -0.310771077895E+03 0.37030E-04 -0.29232E-05 2785 0.161E-02 0.375E-02 RMM: 7 -0.310771084026E+03 -0.61306E-05 -0.19792E-05 2533 0.136E-02 2193 T= 6252. E= 0.68003748E+03 F= 0.62831720E+03 E0= 0.65625669E+03 EK= 0.51720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311376713173E+03 -0.60564E+00 -0.18854E-01 7860 0.239E+01 0.217E-01 RMM: 2 -0.311392359615E+03 -0.15646E-01 -0.10483E-01 4919 0.773E-01 0.100E+00 RMM: 3 -0.311385458940E+03 0.69007E-02 -0.12110E-02 5630 0.222E-01 0.208E-01 RMM: 4 -0.311385071048E+03 0.38789E-03 -0.87326E-04 4749 0.640E-02 0.878E-02 RMM: 5 -0.311385064439E+03 0.66094E-05 -0.13791E-04 3794 0.300E-02 2194 T= 6267. E= 0.67957222E+03 F= 0.62773019E+03 E0= 0.65563466E+03 EK= 0.51842E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312202296700E+03 -0.81723E+00 -0.19486E-01 7836 0.240E+01 0.138E-01 RMM: 2 -0.312214321617E+03 -0.12025E-01 -0.10772E-01 4962 0.769E-01 0.569E-01 RMM: 3 -0.312211927182E+03 0.23944E-02 -0.11816E-02 6094 0.190E-01 0.131E-01 RMM: 4 -0.312211634668E+03 0.29251E-03 -0.48482E-04 4391 0.550E-02 0.913E-02 RMM: 5 -0.312211568325E+03 0.66343E-04 -0.73799E-05 3411 0.249E-02 0.652E-02 RMM: 6 -0.312211558336E+03 0.99888E-05 -0.33074E-05 2745 0.168E-02 2195 T= 6365. E= 0.67958968E+03 F= 0.62693743E+03 E0= 0.65480069E+03 EK= 0.52652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313211234350E+03 -0.99967E+00 -0.19185E-01 7776 0.243E+01 0.322E-01 RMM: 2 -0.313241779849E+03 -0.30545E-01 -0.10893E-01 4881 0.808E-01 0.179E+00 RMM: 3 -0.313219533000E+03 0.22247E-01 -0.15784E-02 5377 0.296E-01 0.271E-01 RMM: 4 -0.313219050469E+03 0.48253E-03 -0.16569E-03 4844 0.797E-02 0.104E-01 RMM: 5 -0.313219060934E+03 -0.10464E-04 -0.21572E-04 3893 0.359E-02 0.121E-01 RMM: 6 -0.313218963458E+03 0.97475E-04 -0.57692E-05 3289 0.221E-02 0.375E-02 RMM: 7 -0.313218959116E+03 0.43425E-05 -0.15865E-05 2511 0.123E-02 2196 T= 6510. E= 0.67982669E+03 F= 0.62597037E+03 E0= 0.65378413E+03 EK= 0.53856E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314338119125E+03 -0.11192E+01 -0.19458E-01 7680 0.246E+01 0.351E-01 RMM: 2 -0.314374237464E+03 -0.36118E-01 -0.12829E-01 4951 0.886E-01 0.195E+00 RMM: 3 -0.314348114041E+03 0.26123E-01 -0.18126E-02 5379 0.313E-01 0.318E-01 RMM: 4 -0.314347402873E+03 0.71117E-03 -0.19780E-03 5002 0.901E-02 0.120E-01 RMM: 5 -0.314347386594E+03 0.16278E-04 -0.26879E-04 3894 0.390E-02 0.129E-01 RMM: 6 -0.314347269841E+03 0.11675E-03 -0.72422E-05 3467 0.239E-02 0.422E-02 RMM: 7 -0.314347263385E+03 0.64554E-05 -0.19325E-05 2535 0.127E-02 2197 T= 6646. E= 0.67987216E+03 F= 0.62488893E+03 E0= 0.65264663E+03 EK= 0.54983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315511523750E+03 -0.11643E+01 -0.19818E-01 7704 0.249E+01 0.241E-01 RMM: 2 -0.315529933716E+03 -0.18410E-01 -0.11911E-01 4866 0.841E-01 0.111E+00 RMM: 3 -0.315521473971E+03 0.84597E-02 -0.13997E-02 5555 0.246E-01 0.206E-01 RMM: 4 -0.315521146068E+03 0.32790E-03 -0.10745E-03 4803 0.695E-02 0.115E-01 RMM: 5 -0.315521096182E+03 0.49886E-04 -0.16659E-04 3883 0.321E-02 0.989E-02 RMM: 6 -0.315521030046E+03 0.66136E-04 -0.48101E-05 3147 0.204E-02 0.346E-02 RMM: 7 -0.315521036716E+03 -0.66700E-05 -0.21444E-05 2537 0.143E-02 2198 T= 6715. E= 0.67931886E+03 F= 0.62376861E+03 E0= 0.65146675E+03 EK= 0.55550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316657348388E+03 -0.11363E+01 -0.19549E-01 7776 0.249E+01 0.237E-01 RMM: 2 -0.316673165113E+03 -0.15817E-01 -0.11847E-01 4843 0.852E-01 0.936E-01 RMM: 3 -0.316667223096E+03 0.59420E-02 -0.14331E-02 5656 0.241E-01 0.170E-01 RMM: 4 -0.316667033346E+03 0.18975E-03 -0.10033E-03 4796 0.700E-02 0.161E-01 RMM: 5 -0.316666882579E+03 0.15077E-03 -0.17206E-04 3874 0.330E-02 0.911E-02 RMM: 6 -0.316666829141E+03 0.53438E-04 -0.46070E-05 3152 0.198E-02 0.318E-02 RMM: 7 -0.316666832153E+03 -0.30116E-05 -0.21918E-05 2535 0.145E-02 2199 T= 6682. E= 0.67796326E+03 F= 0.62268322E+03 E0= 0.65032295E+03 EK= 0.55280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317718885514E+03 -0.10521E+01 -0.20117E-01 7716 0.248E+01 0.199E-01 RMM: 2 -0.317735657368E+03 -0.16772E-01 -0.13761E-01 4778 0.905E-01 0.821E-01 RMM: 3 -0.317730923727E+03 0.47336E-02 -0.16121E-02 5947 0.233E-01 0.168E-01 RMM: 4 -0.317730562777E+03 0.36095E-03 -0.87202E-04 4787 0.715E-02 0.133E-01 RMM: 5 -0.317730456504E+03 0.10627E-03 -0.14336E-04 3845 0.309E-02 0.796E-02 RMM: 6 -0.317730418995E+03 0.37509E-04 -0.39555E-05 3019 0.188E-02 0.389E-02 RMM: 7 -0.317730434089E+03 -0.15094E-04 -0.32224E-05 2648 0.168E-02 2200 T= 6557. E= 0.67592903E+03 F= 0.62168748E+03 E0= 0.64927465E+03 EK= 0.54242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318672158153E+03 -0.94174E+00 -0.18597E-01 7716 0.246E+01 0.211E-01 RMM: 2 -0.318686180487E+03 -0.14022E-01 -0.11199E-01 4817 0.822E-01 0.814E-01 RMM: 3 -0.318681675646E+03 0.45048E-02 -0.13414E-02 5754 0.222E-01 0.154E-01 RMM: 4 -0.318681490548E+03 0.18510E-03 -0.85387E-04 4736 0.674E-02 0.152E-01 RMM: 5 -0.318681358703E+03 0.13184E-03 -0.14979E-04 3837 0.316E-02 0.846E-02 RMM: 6 -0.318681315662E+03 0.43041E-04 -0.45643E-05 3130 0.199E-02 0.329E-02 RMM: 7 -0.318681328856E+03 -0.13194E-04 -0.25043E-05 2567 0.153E-02 2201 T= 6384. E= 0.67362188E+03 F= 0.62081242E+03 E0= 0.64835691E+03 EK= 0.52809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319498129686E+03 -0.81681E+00 -0.19571E-01 7488 0.243E+01 0.192E-01 RMM: 2 -0.319514604713E+03 -0.16475E-01 -0.13557E-01 4795 0.888E-01 0.802E-01 RMM: 3 -0.319509874214E+03 0.47305E-02 -0.15396E-02 5919 0.222E-01 0.155E-01 RMM: 4 -0.319509561223E+03 0.31299E-03 -0.89241E-04 4807 0.739E-02 0.136E-01 RMM: 5 -0.319509443153E+03 0.11807E-03 -0.14361E-04 3858 0.317E-02 0.702E-02 RMM: 6 -0.319509418841E+03 0.24312E-04 -0.40562E-05 3036 0.190E-02 0.425E-02 RMM: 7 -0.319509436216E+03 -0.17375E-04 -0.30802E-05 2612 0.163E-02 2202 T= 6223. E= 0.67154745E+03 F= 0.62006844E+03 E0= 0.64758257E+03 EK= 0.51479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320205711023E+03 -0.69629E+00 -0.18573E-01 7644 0.240E+01 0.193E-01 RMM: 2 -0.320217520671E+03 -0.11810E-01 -0.99802E-02 4847 0.769E-01 0.697E-01 RMM: 3 -0.320214125919E+03 0.33948E-02 -0.11656E-02 5764 0.203E-01 0.125E-01 RMM: 4 -0.320214021876E+03 0.10404E-03 -0.69926E-04 4660 0.626E-02 0.162E-01 RMM: 5 -0.320213868741E+03 0.15314E-03 -0.13889E-04 3828 0.325E-02 0.824E-02 RMM: 6 -0.320213828874E+03 0.39867E-04 -0.47469E-05 3156 0.203E-02 0.368E-02 RMM: 7 -0.320213842358E+03 -0.13484E-04 -0.30777E-05 2642 0.172E-02 2203 T= 6125. E= 0.67012653E+03 F= 0.61945633E+03 E0= 0.64695293E+03 EK= 0.50670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320785100204E+03 -0.57127E+00 -0.17957E-01 7692 0.239E+01 0.196E-01 RMM: 2 -0.320795570157E+03 -0.10470E-01 -0.77079E-02 5022 0.677E-01 0.793E-01 RMM: 3 -0.320791363582E+03 0.42066E-02 -0.85661E-03 5692 0.176E-01 0.147E-01 RMM: 4 -0.320791257528E+03 0.10605E-03 -0.70064E-04 4673 0.648E-02 0.158E-01 RMM: 5 -0.320791093612E+03 0.16392E-03 -0.14574E-04 3847 0.321E-02 0.690E-02 RMM: 6 -0.320791070705E+03 0.22907E-04 -0.37116E-05 3016 0.186E-02 0.432E-02 RMM: 7 -0.320791087233E+03 -0.16528E-04 -0.29680E-05 2599 0.157E-02 2204 T= 6118. E= 0.66959041E+03 F= 0.61897901E+03 E0= 0.64646937E+03 EK= 0.50611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321223042034E+03 -0.43197E+00 -0.17526E-01 7776 0.240E+01 0.193E-01 RMM: 2 -0.321231339139E+03 -0.82971E-02 -0.69714E-02 5076 0.640E-01 0.646E-01 RMM: 3 -0.321228544997E+03 0.27941E-02 -0.75167E-03 5669 0.167E-01 0.121E-01 RMM: 4 -0.321228597020E+03 -0.52024E-04 -0.58649E-04 4598 0.578E-02 0.194E-01 RMM: 5 -0.321228358610E+03 0.23841E-03 -0.14938E-04 3851 0.335E-02 0.748E-02 RMM: 6 -0.321228325494E+03 0.33115E-04 -0.40386E-05 3071 0.191E-02 0.369E-02 RMM: 7 -0.321228332234E+03 -0.67400E-05 -0.31674E-05 2602 0.170E-02 2205 T= 6201. E= 0.66994975E+03 F= 0.61864841E+03 E0= 0.64614179E+03 EK= 0.51301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321498629115E+03 -0.27030E+00 -0.18025E-01 7728 0.241E+01 0.203E-01 RMM: 2 -0.321507649163E+03 -0.90200E-02 -0.69878E-02 5143 0.646E-01 0.732E-01 RMM: 3 -0.321504032412E+03 0.36168E-02 -0.71188E-03 5711 0.162E-01 0.140E-01 RMM: 4 -0.321504042141E+03 -0.97293E-05 -0.70573E-04 4667 0.663E-02 0.192E-01 RMM: 5 -0.321503793167E+03 0.24897E-03 -0.17821E-04 3873 0.359E-02 0.684E-02 RMM: 6 -0.321503768698E+03 0.24469E-04 -0.34062E-05 2954 0.180E-02 0.425E-02 RMM: 7 -0.321503783003E+03 -0.14305E-04 -0.30803E-05 2607 0.159E-02 2206 T= 6348. E= 0.67100048E+03 F= 0.61848532E+03 E0= 0.64598869E+03 EK= 0.52515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321590596945E+03 -0.86828E-01 -0.18072E-01 7872 0.244E+01 0.202E-01 RMM: 2 -0.321597809402E+03 -0.72125E-02 -0.61555E-02 5141 0.608E-01 0.627E-01 RMM: 3 -0.321595200108E+03 0.26093E-02 -0.62558E-03 5700 0.158E-01 0.127E-01 RMM: 4 -0.321595307196E+03 -0.10709E-03 -0.57113E-04 4596 0.577E-02 0.213E-01 RMM: 5 -0.321595007340E+03 0.29986E-03 -0.17384E-04 3870 0.359E-02 0.679E-02 RMM: 6 -0.321594981971E+03 0.25369E-04 -0.34607E-05 2991 0.180E-02 0.404E-02 RMM: 7 -0.321594989329E+03 -0.73583E-05 -0.32069E-05 2597 0.167E-02 2207 T= 6509. E= 0.67236190E+03 F= 0.61851144E+03 E0= 0.64602929E+03 EK= 0.53850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321484347013E+03 0.11063E+00 -0.18292E-01 8016 0.245E+01 0.198E-01 RMM: 2 -0.321491848712E+03 -0.75017E-02 -0.66528E-02 5060 0.637E-01 0.596E-01 RMM: 3 -0.321489507249E+03 0.23415E-02 -0.70292E-03 5761 0.163E-01 0.132E-01 RMM: 4 -0.321489576388E+03 -0.69140E-04 -0.60315E-04 4620 0.614E-02 0.211E-01 RMM: 5 -0.321489277935E+03 0.29845E-03 -0.18773E-04 3878 0.377E-02 0.661E-02 RMM: 6 -0.321489256582E+03 0.21353E-04 -0.36760E-05 3001 0.185E-02 0.462E-02 RMM: 7 -0.321489270911E+03 -0.14329E-04 -0.32930E-05 2613 0.167E-02 2208 T= 6629. E= 0.67357537E+03 F= 0.61873911E+03 E0= 0.64627343E+03 EK= 0.54836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321190516367E+03 0.29874E+00 -0.18756E-01 8052 0.245E+01 0.198E-01 RMM: 2 -0.321198203286E+03 -0.76869E-02 -0.67613E-02 5053 0.637E-01 0.603E-01 RMM: 3 -0.321195720330E+03 0.24830E-02 -0.71005E-03 5783 0.166E-01 0.131E-01 RMM: 4 -0.321195789558E+03 -0.69228E-04 -0.57136E-04 4614 0.584E-02 0.207E-01 RMM: 5 -0.321195512470E+03 0.27709E-03 -0.17150E-04 3876 0.363E-02 0.710E-02 RMM: 6 -0.321195487623E+03 0.24847E-04 -0.42398E-05 3123 0.194E-02 0.466E-02 RMM: 7 -0.321195493250E+03 -0.56276E-05 -0.34669E-05 2642 0.177E-02 2209 T= 6662. E= 0.67427307E+03 F= 0.61915965E+03 E0= 0.64671116E+03 EK= 0.55113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320743717598E+03 0.45177E+00 -0.18692E-01 7824 0.244E+01 0.185E-01 RMM: 2 -0.320751192074E+03 -0.74745E-02 -0.69861E-02 4985 0.649E-01 0.523E-01 RMM: 3 -0.320749256782E+03 0.19353E-02 -0.75484E-03 5833 0.168E-01 0.122E-01 RMM: 4 -0.320749293416E+03 -0.36634E-04 -0.52883E-04 4573 0.575E-02 0.193E-01 RMM: 5 -0.320749045205E+03 0.24821E-03 -0.17080E-04 3874 0.366E-02 0.658E-02 RMM: 6 -0.320749032013E+03 0.13192E-04 -0.48403E-05 3192 0.204E-02 2210 T= 6601. E= 0.67434229E+03 F= 0.61973822E+03 E0= 0.64730755E+03 EK= 0.54604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320201525198E+03 0.54752E+00 -0.18370E-01 7620 0.241E+01 0.245E-01 RMM: 2 -0.320218165133E+03 -0.16640E-01 -0.82601E-02 4967 0.695E-01 0.119E+00 RMM: 3 -0.320208025176E+03 0.10140E-01 -0.10001E-02 5402 0.222E-01 0.211E-01 RMM: 4 -0.320207795486E+03 0.22969E-03 -0.10106E-03 4705 0.701E-02 0.137E-01 RMM: 5 -0.320207733040E+03 0.62446E-04 -0.20086E-04 3898 0.382E-02 0.115E-01 RMM: 6 -0.320207652660E+03 0.80380E-04 -0.70178E-05 3460 0.242E-02 0.499E-02 RMM: 7 -0.320207692092E+03 -0.39433E-04 -0.56349E-05 3300 0.215E-02 0.896E-02 RMM: 8 -0.320207642173E+03 0.49919E-04 -0.32010E-05 2937 0.187E-02 0.268E-02 RMM: 9 -0.320207640990E+03 0.11836E-05 -0.90221E-06 2464 0.869E-03 2211 T= 6473. E= 0.67396913E+03 F= 0.62041763E+03 E0= 0.64800451E+03 EK= 0.53552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319635640375E+03 0.57200E+00 -0.17731E-01 7788 0.238E+01 0.256E-01 RMM: 2 -0.319653750802E+03 -0.18110E-01 -0.77195E-02 5000 0.686E-01 0.131E+00 RMM: 3 -0.319641357218E+03 0.12394E-01 -0.94869E-03 5402 0.225E-01 0.195E-01 RMM: 4 -0.319641177971E+03 0.17925E-03 -0.10597E-03 4705 0.731E-02 0.142E-01 RMM: 5 -0.319641127799E+03 0.50171E-04 -0.19536E-04 3873 0.373E-02 0.128E-01 RMM: 6 -0.319641014988E+03 0.11281E-03 -0.74228E-05 3531 0.254E-02 0.364E-02 RMM: 7 -0.319641046064E+03 -0.31075E-04 -0.41412E-05 3048 0.187E-02 0.789E-02 RMM: 8 -0.319641006380E+03 0.39683E-04 -0.26129E-05 2674 0.173E-02 0.183E-02 RMM: 9 -0.319641005848E+03 0.53200E-06 -0.61395E-06 2449 0.694E-03 2212 T= 6334. E= 0.67352923E+03 F= 0.62112854E+03 E0= 0.64873399E+03 EK= 0.52401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319106724260E+03 0.53428E+00 -0.17319E-01 7824 0.235E+01 0.202E-01 RMM: 2 -0.319116245462E+03 -0.95212E-02 -0.72872E-02 5011 0.662E-01 0.732E-01 RMM: 3 -0.319112505173E+03 0.37403E-02 -0.79538E-03 5579 0.185E-01 0.169E-01 RMM: 4 -0.319112388428E+03 0.11675E-03 -0.62831E-04 4625 0.590E-02 0.145E-01 RMM: 5 -0.319112254942E+03 0.13349E-03 -0.17256E-04 3884 0.367E-02 0.855E-02 RMM: 6 -0.319112234482E+03 0.20460E-04 -0.72745E-05 3483 0.243E-02 0.682E-02 RMM: 7 -0.319112246543E+03 -0.12061E-04 -0.42718E-05 3070 0.199E-02 2213 T= 6238. E= 0.67340998E+03 F= 0.62180770E+03 E0= 0.64943335E+03 EK= 0.51602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318662512403E+03 0.44972E+00 -0.16771E-01 7800 0.233E+01 0.200E-01 RMM: 2 -0.318669986985E+03 -0.74746E-02 -0.69138E-02 5015 0.645E-01 0.540E-01 RMM: 3 -0.318668054468E+03 0.19325E-02 -0.75977E-03 5854 0.166E-01 0.151E-01 RMM: 4 -0.318668046774E+03 0.76934E-05 -0.58714E-04 4620 0.611E-02 0.201E-01 RMM: 5 -0.318667778271E+03 0.26850E-03 -0.20698E-04 3895 0.395E-02 0.716E-02 RMM: 6 -0.318667798496E+03 -0.20225E-04 -0.77394E-05 3531 0.248E-02 0.899E-02 RMM: 7 -0.318667776840E+03 0.21656E-04 -0.39918E-05 3020 0.195E-02 0.691E-02 RMM: 8 -0.318667746941E+03 0.29899E-04 -0.21840E-05 2630 0.150E-02 0.180E-02 RMM: 9 -0.318667755263E+03 -0.83224E-05 -0.95102E-06 2459 0.867E-03 2214 T= 6220. E= 0.67386723E+03 F= 0.62240804E+03 E0= 0.65005437E+03 EK= 0.51459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318327298381E+03 0.34045E+00 -0.16723E-01 7932 0.234E+01 0.203E-01 RMM: 2 -0.318337294683E+03 -0.99963E-02 -0.82806E-02 4914 0.711E-01 0.689E-01 RMM: 3 -0.318333988268E+03 0.33064E-02 -0.94759E-03 5752 0.190E-01 0.138E-01 RMM: 4 -0.318333933257E+03 0.55010E-04 -0.67858E-04 4685 0.628E-02 0.172E-01 RMM: 5 -0.318333762454E+03 0.17080E-03 -0.17636E-04 3882 0.363E-02 0.923E-02 RMM: 6 -0.318333711993E+03 0.50461E-04 -0.62683E-05 3393 0.231E-02 0.403E-02 RMM: 7 -0.318333732018E+03 -0.20025E-04 -0.27177E-05 2649 0.162E-02 0.685E-02 RMM: 8 -0.318333701045E+03 0.30973E-04 -0.16655E-05 2529 0.139E-02 0.144E-02 RMM: 9 -0.318333700930E+03 0.11473E-06 -0.44028E-06 2442 0.598E-03 2215 T= 6292. E= 0.67495168E+03 F= 0.62290241E+03 E0= 0.65057248E+03 EK= 0.52049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318106300903E+03 0.22740E+00 -0.16996E-01 7740 0.236E+01 0.210E-01 RMM: 2 -0.318115511858E+03 -0.92110E-02 -0.89359E-02 4904 0.727E-01 0.526E-01 RMM: 3 -0.318113650840E+03 0.18610E-02 -0.10105E-02 5982 0.183E-01 0.142E-01 RMM: 4 -0.318113706970E+03 -0.56131E-04 -0.74269E-04 4702 0.693E-02 0.234E-01 RMM: 5 -0.318113334971E+03 0.37200E-03 -0.23064E-04 3889 0.405E-02 0.775E-02 RMM: 6 -0.318113319028E+03 0.15943E-04 -0.72309E-05 3463 0.244E-02 2216 T= 6431. E= 0.67648852E+03 F= 0.62328659E+03 E0= 0.65098201E+03 EK= 0.53202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317982893146E+03 0.13044E+00 -0.17807E-01 7764 0.239E+01 0.297E-01 RMM: 2 -0.318002077407E+03 -0.19184E-01 -0.92190E-02 4989 0.733E-01 0.132E+00 RMM: 3 -0.317989886121E+03 0.12191E-01 -0.11635E-02 5401 0.241E-01 0.242E-01 RMM: 4 -0.317989702571E+03 0.18355E-03 -0.13930E-03 4797 0.829E-02 0.197E-01 RMM: 5 -0.317989489439E+03 0.21313E-03 -0.25704E-04 3881 0.396E-02 0.114E-01 RMM: 6 -0.317989416969E+03 0.72469E-04 -0.76039E-05 3505 0.248E-02 0.558E-02 RMM: 7 -0.317989461122E+03 -0.44153E-04 -0.63846E-05 3436 0.224E-02 0.969E-02 RMM: 8 -0.317989402013E+03 0.59109E-04 -0.34994E-05 3016 0.193E-02 0.245E-02 RMM: 9 -0.317989402833E+03 -0.81911E-06 -0.10325E-05 2474 0.938E-03 2217 T= 6591. E= 0.67810492E+03 F= 0.62357724E+03 E0= 0.65129874E+03 EK= 0.54528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317928706837E+03 0.60695E-01 -0.18229E-01 7704 0.242E+01 0.293E-01 RMM: 2 -0.317949822876E+03 -0.21116E-01 -0.88916E-02 4934 0.740E-01 0.144E+00 RMM: 3 -0.317935216657E+03 0.14606E-01 -0.11361E-02 5382 0.244E-01 0.213E-01 RMM: 4 -0.317935140862E+03 0.75795E-04 -0.15095E-03 4911 0.884E-02 0.206E-01 RMM: 5 -0.317934943035E+03 0.19783E-03 -0.27889E-04 3889 0.412E-02 0.134E-01 RMM: 6 -0.317934822947E+03 0.12009E-03 -0.74617E-05 3516 0.249E-02 0.317E-02 RMM: 7 -0.317934843540E+03 -0.20593E-04 -0.32793E-05 2840 0.165E-02 0.680E-02 RMM: 8 -0.317934813240E+03 0.30301E-04 -0.24219E-05 2573 0.164E-02 0.180E-02 RMM: 9 -0.317934812921E+03 0.31887E-06 -0.66755E-06 2451 0.747E-03 2218 T= 6712. E= 0.67932908E+03 F= 0.62380161E+03 E0= 0.65154914E+03 EK= 0.55527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317915317634E+03 0.19496E-01 -0.18374E-01 7752 0.243E+01 0.254E-01 RMM: 2 -0.317925485472E+03 -0.10168E-01 -0.72793E-02 5117 0.667E-01 0.846E-01 RMM: 3 -0.317920650014E+03 0.48355E-02 -0.77949E-03 5487 0.186E-01 0.182E-01 RMM: 4 -0.317920790300E+03 -0.14029E-03 -0.96475E-04 4681 0.746E-02 0.249E-01 RMM: 5 -0.317920389772E+03 0.40053E-03 -0.24795E-04 3884 0.398E-02 0.101E-01 RMM: 6 -0.317920333361E+03 0.56411E-04 -0.74744E-05 3496 0.248E-02 0.531E-02 RMM: 7 -0.317920364279E+03 -0.30918E-04 -0.47872E-05 3168 0.201E-02 0.884E-02 RMM: 8 -0.317920313517E+03 0.50763E-04 -0.26482E-05 2762 0.170E-02 0.238E-02 RMM: 9 -0.317920313121E+03 0.39559E-06 -0.89429E-06 2461 0.855E-03 2219 T= 6743. E= 0.67977643E+03 F= 0.62398972E+03 E0= 0.65176114E+03 EK= 0.55787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317918041354E+03 0.22722E-02 -0.18699E-01 7692 0.243E+01 0.243E-01 RMM: 2 -0.317927931475E+03 -0.98901E-02 -0.75875E-02 5082 0.675E-01 0.775E-01 RMM: 3 -0.317923802945E+03 0.41285E-02 -0.82159E-03 5595 0.180E-01 0.157E-01 RMM: 4 -0.317923976885E+03 -0.17394E-03 -0.92495E-04 4701 0.753E-02 0.256E-01 RMM: 5 -0.317923559701E+03 0.41718E-03 -0.27943E-04 3935 0.438E-02 0.961E-02 RMM: 6 -0.317923511031E+03 0.48670E-04 -0.66291E-05 3434 0.234E-02 0.519E-02 RMM: 7 -0.317923536089E+03 -0.25058E-04 -0.43275E-05 3065 0.193E-02 0.796E-02 RMM: 8 -0.317923494875E+03 0.41214E-04 -0.25541E-05 2748 0.170E-02 0.167E-02 RMM: 9 -0.317923498334E+03 -0.34584E-05 -0.73984E-06 2454 0.756E-03 2220 T= 6670. E= 0.67934092E+03 F= 0.62416519E+03 E0= 0.65195736E+03 EK= 0.55176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317927586364E+03 -0.40915E-02 -0.18927E-01 7596 0.241E+01 0.234E-01 RMM: 2 -0.317936612544E+03 -0.90262E-02 -0.75046E-02 5056 0.668E-01 0.699E-01 RMM: 3 -0.317933348020E+03 0.32645E-02 -0.81941E-03 5758 0.174E-01 0.150E-01 RMM: 4 -0.317933514723E+03 -0.16670E-03 -0.85270E-04 4695 0.735E-02 0.255E-01 RMM: 5 -0.317933093146E+03 0.42158E-03 -0.26981E-04 3910 0.433E-02 0.965E-02 RMM: 6 -0.317933050329E+03 0.42817E-04 -0.81186E-05 3554 0.256E-02 0.610E-02 RMM: 7 -0.317933071285E+03 -0.20956E-04 -0.40832E-05 3042 0.193E-02 0.831E-02 RMM: 8 -0.317933026130E+03 0.45156E-04 -0.23413E-05 2671 0.162E-02 0.185E-02 RMM: 9 -0.317933028549E+03 -0.24195E-05 -0.73658E-06 2454 0.764E-03 2221 T= 6518. E= 0.67826054E+03 F= 0.62434063E+03 E0= 0.65214934E+03 EK= 0.53920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317944477999E+03 -0.11452E-01 -0.18867E-01 7740 0.238E+01 0.231E-01 RMM: 2 -0.317954287505E+03 -0.98095E-02 -0.79822E-02 4983 0.681E-01 0.709E-01 RMM: 3 -0.317950731099E+03 0.35564E-02 -0.88071E-03 5675 0.179E-01 0.158E-01 RMM: 4 -0.317950895975E+03 -0.16488E-03 -0.89363E-04 4727 0.756E-02 0.259E-01 RMM: 5 -0.317950466026E+03 0.42995E-03 -0.28568E-04 3971 0.447E-02 0.979E-02 RMM: 6 -0.317950425338E+03 0.40688E-04 -0.88322E-05 3614 0.266E-02 0.638E-02 RMM: 7 -0.317950442539E+03 -0.17201E-04 -0.41222E-05 3062 0.192E-02 2222 T= 6344. E= 0.67700065E+03 F= 0.62451531E+03 E0= 0.65233592E+03 EK= 0.52485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317976310638E+03 -0.25885E-01 -0.18876E-01 7704 0.235E+01 0.241E-01 RMM: 2 -0.317985301367E+03 -0.89907E-02 -0.82580E-02 4917 0.701E-01 0.608E-01 RMM: 3 -0.317982795145E+03 0.25062E-02 -0.93474E-03 5817 0.183E-01 0.171E-01 RMM: 4 -0.317982977147E+03 -0.18200E-03 -0.90042E-04 4728 0.761E-02 0.280E-01 RMM: 5 -0.317982437500E+03 0.53965E-03 -0.32371E-04 4079 0.477E-02 0.755E-02 RMM: 6 -0.317982474845E+03 -0.37345E-04 -0.10113E-04 3719 0.274E-02 0.107E-01 RMM: 7 -0.317982426594E+03 0.48251E-04 -0.43226E-05 3120 0.204E-02 0.652E-02 RMM: 8 -0.317982400868E+03 0.25726E-04 -0.20937E-05 2670 0.146E-02 0.193E-02 RMM: 9 -0.317982412088E+03 -0.11220E-04 -0.98945E-06 2469 0.910E-03 2223 T= 6209. E= 0.67605099E+03 F= 0.62468259E+03 E0= 0.65251171E+03 EK= 0.51368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318027453646E+03 -0.45053E-01 -0.18319E-01 7800 0.234E+01 0.217E-01 RMM: 2 -0.318036599060E+03 -0.91454E-02 -0.84483E-02 4861 0.699E-01 0.584E-01 RMM: 3 -0.318034164563E+03 0.24345E-02 -0.95233E-03 5790 0.183E-01 0.132E-01 RMM: 4 -0.318034350427E+03 -0.18586E-03 -0.78110E-04 4681 0.701E-02 0.261E-01 RMM: 5 -0.318033918954E+03 0.43147E-03 -0.26982E-04 3987 0.448E-02 0.931E-02 RMM: 6 -0.318033876260E+03 0.42694E-04 -0.91375E-05 3625 0.271E-02 0.534E-02 RMM: 7 -0.318033876044E+03 0.21534E-06 -0.23593E-05 2665 0.159E-02 2224 T= 6156. E= 0.67576063E+03 F= 0.62483669E+03 E0= 0.65267062E+03 EK= 0.50924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318096517365E+03 -0.62641E-01 -0.17466E-01 7884 0.234E+01 0.248E-01 RMM: 2 -0.318102258440E+03 -0.57411E-02 -0.59506E-02 5073 0.589E-01 0.483E-01 RMM: 3 -0.318100803011E+03 0.14554E-02 -0.61474E-03 5645 0.154E-01 0.194E-01 RMM: 4 -0.318101136679E+03 -0.33367E-03 -0.80537E-04 4631 0.714E-02 0.319E-01 RMM: 5 -0.318100431732E+03 0.70495E-03 -0.36832E-04 4104 0.501E-02 0.684E-02 RMM: 6 -0.318100475018E+03 -0.43286E-04 -0.97607E-05 3697 0.268E-02 0.107E-01 RMM: 7 -0.318100422615E+03 0.52403E-04 -0.41612E-05 3091 0.196E-02 0.656E-02 RMM: 8 -0.318100396317E+03 0.26298E-04 -0.20874E-05 2616 0.143E-02 0.198E-02 RMM: 9 -0.318100406907E+03 -0.10590E-04 -0.10172E-05 2468 0.921E-03 2225 T= 6199. E= 0.67626290E+03 F= 0.62498058E+03 E0= 0.65281672E+03 EK= 0.51282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318161849221E+03 -0.61453E-01 -0.18683E-01 7884 0.236E+01 0.221E-01 RMM: 2 -0.318169603503E+03 -0.77543E-02 -0.79757E-02 4862 0.682E-01 0.466E-01 RMM: 3 -0.318168075360E+03 0.15281E-02 -0.89269E-03 5843 0.178E-01 0.154E-01 RMM: 4 -0.318168216003E+03 -0.14064E-03 -0.68284E-04 4664 0.639E-02 0.259E-01 RMM: 5 -0.318167768708E+03 0.44730E-03 -0.24168E-04 3920 0.420E-02 0.712E-02 RMM: 6 -0.318167756359E+03 0.12349E-04 -0.72763E-05 3467 0.240E-02 2226 T= 6325. E= 0.67745493E+03 F= 0.62512690E+03 E0= 0.65296281E+03 EK= 0.52328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318208309236E+03 -0.40541E-01 -0.18620E-01 8112 0.239E+01 0.279E-01 RMM: 2 -0.318216207624E+03 -0.78984E-02 -0.60483E-02 5169 0.595E-01 0.756E-01 RMM: 3 -0.318212348602E+03 0.38590E-02 -0.65013E-03 5428 0.175E-01 0.200E-01 RMM: 4 -0.318212769637E+03 -0.42104E-03 -0.10272E-03 4659 0.764E-02 0.330E-01 RMM: 5 -0.318212035872E+03 0.73377E-03 -0.37061E-04 4079 0.499E-02 0.922E-02 RMM: 6 -0.318212014113E+03 0.21759E-04 -0.10644E-04 3738 0.286E-02 0.784E-02 RMM: 7 -0.318212029202E+03 -0.15089E-04 -0.50386E-05 3245 0.203E-02 2227 T= 6493. E= 0.67901515E+03 F= 0.62529830E+03 E0= 0.65313262E+03 EK= 0.53717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318203460561E+03 0.85536E-02 -0.19153E-01 7800 0.242E+01 0.269E-01 RMM: 2 -0.318211700568E+03 -0.82400E-02 -0.63469E-02 5107 0.628E-01 0.768E-01 RMM: 3 -0.318207809014E+03 0.38916E-02 -0.70714E-03 5477 0.180E-01 0.201E-01 RMM: 4 -0.318208055386E+03 -0.24637E-03 -0.10615E-03 4713 0.783E-02 0.292E-01 RMM: 5 -0.318207525654E+03 0.52973E-03 -0.34194E-04 4061 0.485E-02 0.117E-01 RMM: 6 -0.318207441803E+03 0.83851E-04 -0.92833E-05 3630 0.274E-02 0.493E-02 RMM: 7 -0.318207472324E+03 -0.30520E-04 -0.39822E-05 3011 0.181E-02 0.844E-02 RMM: 8 -0.318207427785E+03 0.44539E-04 -0.25169E-05 2624 0.167E-02 0.218E-02 RMM: 9 -0.318207429781E+03 -0.19961E-05 -0.86645E-06 2459 0.834E-03 2228 T= 6643. E= 0.68047396E+03 F= 0.62552023E+03 E0= 0.65335180E+03 EK= 0.54954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318125935180E+03 0.81493E-01 -0.19924E-01 7632 0.245E+01 0.243E-01 RMM: 2 -0.318134118684E+03 -0.81835E-02 -0.76225E-02 5016 0.659E-01 0.581E-01 RMM: 3 -0.318131701266E+03 0.24174E-02 -0.80974E-03 5555 0.177E-01 0.179E-01 RMM: 4 -0.318132052005E+03 -0.35074E-03 -0.87058E-04 4733 0.727E-02 0.312E-01 RMM: 5 -0.318131387016E+03 0.66499E-03 -0.31263E-04 4022 0.463E-02 0.768E-02 RMM: 6 -0.318131369158E+03 0.17858E-04 -0.86035E-05 3582 0.256E-02 2229 T= 6716. E= 0.68137420E+03 F= 0.62581582E+03 E0= 0.65364505E+03 EK= 0.55558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317967491333E+03 0.16390E+00 -0.19866E-01 7764 0.245E+01 0.340E-01 RMM: 2 -0.317988471602E+03 -0.20980E-01 -0.75027E-02 5076 0.675E-01 0.151E+00 RMM: 3 -0.317972387189E+03 0.16084E-01 -0.10645E-02 5348 0.245E-01 0.232E-01 RMM: 4 -0.317972542641E+03 -0.15545E-03 -0.16038E-03 4868 0.908E-02 0.289E-01 RMM: 5 -0.317972092947E+03 0.44969E-03 -0.38951E-04 4159 0.508E-02 0.161E-01 RMM: 6 -0.317971935581E+03 0.15737E-03 -0.14208E-04 3871 0.327E-02 0.663E-02 RMM: 7 -0.317971984293E+03 -0.48712E-04 -0.85592E-05 3620 0.249E-02 0.108E-01 RMM: 8 -0.317971910487E+03 0.73806E-04 -0.47348E-05 3218 0.219E-02 0.312E-02 RMM: 9 -0.317971909578E+03 0.90891E-06 -0.10129E-05 2488 0.919E-03 2230 T= 6682. E= 0.68147514E+03 F= 0.62619830E+03 E0= 0.65402748E+03 EK= 0.55277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317729706484E+03 0.24220E+00 -0.19174E-01 7764 0.244E+01 0.292E-01 RMM: 2 -0.317745865024E+03 -0.16159E-01 -0.74542E-02 4927 0.675E-01 0.125E+00 RMM: 3 -0.317734958364E+03 0.10907E-01 -0.98549E-03 5363 0.230E-01 0.221E-01 RMM: 4 -0.317734975562E+03 -0.17198E-04 -0.14229E-03 4928 0.874E-02 0.242E-01 RMM: 5 -0.317734713549E+03 0.26201E-03 -0.37191E-04 4248 0.518E-02 0.164E-01 RMM: 6 -0.317734534565E+03 0.17898E-03 -0.11923E-04 3823 0.302E-02 0.431E-02 RMM: 7 -0.317734581812E+03 -0.47247E-04 -0.55621E-05 3327 0.205E-02 0.937E-02 RMM: 8 -0.317734525114E+03 0.56698E-04 -0.29251E-05 2876 0.183E-02 0.225E-02 RMM: 9 -0.317734524314E+03 0.80065E-06 -0.66778E-06 2460 0.718E-03 2231 T= 6554. E= 0.68088005E+03 F= 0.62666367E+03 E0= 0.65449688E+03 EK= 0.54216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317433710906E+03 0.30081E+00 -0.18888E-01 7668 0.242E+01 0.270E-01 RMM: 2 -0.317444366956E+03 -0.10656E-01 -0.77441E-02 4997 0.677E-01 0.840E-01 RMM: 3 -0.317439402483E+03 0.49645E-02 -0.87764E-03 5435 0.198E-01 0.195E-01 RMM: 4 -0.317439568898E+03 -0.16641E-03 -0.11208E-03 4759 0.808E-02 0.271E-01 RMM: 5 -0.317439143736E+03 0.42516E-03 -0.38504E-04 4283 0.518E-02 0.138E-01 RMM: 6 -0.317439044253E+03 0.99484E-04 -0.13308E-04 3861 0.315E-02 0.722E-02 RMM: 7 -0.317439080977E+03 -0.36724E-04 -0.72272E-05 3519 0.240E-02 0.103E-01 RMM: 8 -0.317439010628E+03 0.70349E-04 -0.37674E-05 3102 0.198E-02 0.258E-02 RMM: 9 -0.317439011321E+03 -0.69276E-06 -0.93342E-06 2474 0.871E-03 2232 T= 6381. E= 0.67998427E+03 F= 0.62719325E+03 E0= 0.65503614E+03 EK= 0.52791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317105150439E+03 0.33386E+00 -0.18257E-01 7788 0.239E+01 0.251E-01 RMM: 2 -0.317115200695E+03 -0.10050E-01 -0.78876E-02 4958 0.681E-01 0.760E-01 RMM: 3 -0.317111143707E+03 0.40570E-02 -0.86497E-03 5563 0.185E-01 0.177E-01 RMM: 4 -0.317111319435E+03 -0.17573E-03 -0.10699E-03 4791 0.815E-02 0.273E-01 RMM: 5 -0.317110841245E+03 0.47819E-03 -0.42184E-04 4421 0.563E-02 0.105E-01 RMM: 6 -0.317110807042E+03 0.34203E-04 -0.11288E-04 3797 0.283E-02 0.807E-02 RMM: 7 -0.317110815710E+03 -0.86684E-05 -0.50127E-05 3285 0.212E-02 2233 T= 6228. E= 0.67928390E+03 F= 0.62776183E+03 E0= 0.65562104E+03 EK= 0.51522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316766168387E+03 0.34464E+00 -0.17886E-01 7560 0.237E+01 0.266E-01 RMM: 2 -0.316775706287E+03 -0.95379E-02 -0.96447E-02 4923 0.735E-01 0.522E-01 RMM: 3 -0.316773740508E+03 0.19658E-02 -0.10589E-02 5764 0.190E-01 0.201E-01 RMM: 4 -0.316774037413E+03 -0.29691E-03 -0.11148E-03 4868 0.854E-02 0.335E-01 RMM: 5 -0.316773268015E+03 0.76940E-03 -0.49322E-04 4463 0.591E-02 0.848E-02 RMM: 6 -0.316773320654E+03 -0.52639E-04 -0.13622E-04 3867 0.302E-02 0.123E-01 RMM: 7 -0.316773251111E+03 0.69544E-04 -0.61444E-05 3463 0.241E-02 0.727E-02 RMM: 8 -0.316773219267E+03 0.31843E-04 -0.24118E-05 2833 0.152E-02 0.250E-02 RMM: 9 -0.316773232393E+03 -0.13126E-04 -0.12947E-05 2491 0.102E-02 2234 T= 6146. E= 0.67918535E+03 F= 0.62834531E+03 E0= 0.65622804E+03 EK= 0.50840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316435475510E+03 0.33774E+00 -0.17463E-01 7656 0.236E+01 0.256E-01 RMM: 2 -0.316446828657E+03 -0.11353E-01 -0.88268E-02 4931 0.722E-01 0.828E-01 RMM: 3 -0.316442185001E+03 0.46437E-02 -0.10008E-02 5632 0.197E-01 0.183E-01 RMM: 4 -0.316442224972E+03 -0.39971E-04 -0.10609E-03 4770 0.798E-02 0.248E-01 RMM: 5 -0.316441893539E+03 0.33143E-03 -0.36005E-04 4249 0.517E-02 0.138E-01 RMM: 6 -0.316441774371E+03 0.11917E-03 -0.12319E-04 3844 0.310E-02 0.493E-02 RMM: 7 -0.316441810635E+03 -0.36265E-04 -0.43170E-05 3154 0.192E-02 0.889E-02 RMM: 8 -0.316441757919E+03 0.52716E-04 -0.23416E-05 2702 0.165E-02 0.174E-02 RMM: 9 -0.316441758384E+03 -0.46445E-06 -0.53869E-06 2452 0.640E-03 2235 T= 6161. E= 0.67989696E+03 F= 0.62892654E+03 E0= 0.65683951E+03 EK= 0.50970E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316115368092E+03 0.32639E+00 -0.17651E-01 7632 0.237E+01 0.269E-01 RMM: 2 -0.316123639067E+03 -0.82710E-02 -0.84310E-02 4932 0.690E-01 0.529E-01 RMM: 3 -0.316121780797E+03 0.18583E-02 -0.92550E-03 5766 0.180E-01 0.206E-01 RMM: 4 -0.316122088790E+03 -0.30799E-03 -0.10831E-03 4785 0.842E-02 0.337E-01 RMM: 5 -0.316121313622E+03 0.77517E-03 -0.47060E-04 4380 0.575E-02 0.868E-02 RMM: 6 -0.316121315871E+03 -0.22498E-05 -0.11671E-04 3822 0.283E-02 2236 T= 6273. E= 0.68139062E+03 F= 0.62949862E+03 E0= 0.65744681E+03 EK= 0.51892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315805153454E+03 0.31616E+00 -0.18355E-01 7632 0.240E+01 0.361E-01 RMM: 2 -0.315825828979E+03 -0.20676E-01 -0.89623E-02 5000 0.734E-01 0.145E+00 RMM: 3 -0.315811001877E+03 0.14827E-01 -0.12153E-02 5356 0.258E-01 0.232E-01 RMM: 4 -0.315811293497E+03 -0.29162E-03 -0.17822E-03 4925 0.947E-02 0.324E-01 RMM: 5 -0.315810732677E+03 0.56082E-03 -0.49634E-04 4566 0.575E-02 0.175E-01 RMM: 6 -0.315810546100E+03 0.18658E-03 -0.17013E-04 3872 0.339E-02 0.697E-02 RMM: 7 -0.315810611889E+03 -0.65790E-04 -0.97141E-05 3707 0.269E-02 0.119E-01 RMM: 8 -0.315810521896E+03 0.89993E-04 -0.49410E-05 3266 0.219E-02 0.314E-02 RMM: 9 -0.315810523909E+03 -0.20124E-05 -0.13667E-05 2513 0.107E-02 2237 T= 6447. E= 0.68339533E+03 F= 0.63006132E+03 E0= 0.65805045E+03 EK= 0.53334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315500066514E+03 0.31046E+00 -0.18528E-01 7908 0.243E+01 0.292E-01 RMM: 2 -0.315513247184E+03 -0.13181E-01 -0.85206E-02 4966 0.700E-01 0.995E-01 RMM: 3 -0.315506185814E+03 0.70614E-02 -0.10089E-02 5384 0.224E-01 0.234E-01 RMM: 4 -0.315506402599E+03 -0.21678E-03 -0.16203E-03 4956 0.942E-02 0.305E-01 RMM: 5 -0.315505860449E+03 0.54215E-03 -0.46710E-04 4376 0.574E-02 0.136E-01 RMM: 6 -0.315505734654E+03 0.12579E-03 -0.90745E-05 3658 0.254E-02 0.395E-02 RMM: 7 -0.315505761650E+03 -0.26996E-04 -0.41431E-05 3066 0.180E-02 0.787E-02 RMM: 8 -0.315505721000E+03 0.40650E-04 -0.28775E-05 2762 0.176E-02 0.197E-02 RMM: 9 -0.315505722034E+03 -0.10337E-05 -0.78095E-06 2460 0.787E-03 2238 T= 6627. E= 0.68543997E+03 F= 0.63061767E+03 E0= 0.65865022E+03 EK= 0.54822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315201417219E+03 0.30430E+00 -0.19232E-01 7596 0.245E+01 0.312E-01 RMM: 2 -0.315215176323E+03 -0.13759E-01 -0.10156E-01 4898 0.773E-01 0.965E-01 RMM: 3 -0.315208832017E+03 0.63443E-02 -0.11777E-02 5575 0.223E-01 0.203E-01 RMM: 4 -0.315209210286E+03 -0.37827E-03 -0.15176E-03 4898 0.937E-02 0.343E-01 RMM: 5 -0.315208476195E+03 0.73409E-03 -0.49101E-04 4509 0.582E-02 0.134E-01 RMM: 6 -0.315208375101E+03 0.10109E-03 -0.12257E-04 3846 0.288E-02 0.668E-02 RMM: 7 -0.315208410390E+03 -0.35289E-04 -0.72481E-05 3530 0.233E-02 0.101E-01 RMM: 8 -0.315208344954E+03 0.65436E-04 -0.38150E-05 3096 0.197E-02 0.275E-02 RMM: 9 -0.315208346254E+03 -0.12997E-05 -0.11411E-05 2486 0.968E-03 2239 T= 6747. E= 0.68698300E+03 F= 0.63116677E+03 E0= 0.65924504E+03 EK= 0.55816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314925841125E+03 0.28250E+00 -0.19607E-01 7632 0.246E+01 0.282E-01 RMM: 2 -0.314937390092E+03 -0.11549E-01 -0.10487E-01 4844 0.779E-01 0.720E-01 RMM: 3 -0.314933878354E+03 0.35117E-02 -0.12332E-02 5799 0.215E-01 0.169E-01 RMM: 4 -0.314934329996E+03 -0.45164E-03 -0.11365E-03 4801 0.816E-02 0.352E-01 RMM: 5 -0.314933509496E+03 0.82050E-03 -0.41510E-04 4371 0.538E-02 0.973E-02 RMM: 6 -0.314933482082E+03 0.27414E-04 -0.12742E-04 3855 0.297E-02 0.782E-02 RMM: 7 -0.314933478973E+03 0.31093E-05 -0.43039E-05 3134 0.201E-02 2240 T= 6761. E= 0.68762793E+03 F= 0.63169514E+03 E0= 0.65981990E+03 EK= 0.55933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314703259124E+03 0.23022E+00 -0.19462E-01 7740 0.245E+01 0.287E-01 RMM: 2 -0.314714806616E+03 -0.11547E-01 -0.10884E-01 4851 0.790E-01 0.663E-01 RMM: 3 -0.314711851264E+03 0.29554E-02 -0.12712E-02 5923 0.210E-01 0.209E-01 RMM: 4 -0.314712183923E+03 -0.33266E-03 -0.13250E-03 4918 0.924E-02 0.363E-01 RMM: 5 -0.314711307934E+03 0.87599E-03 -0.56044E-04 4538 0.631E-02 0.890E-02 RMM: 6 -0.314711354625E+03 -0.46691E-04 -0.13761E-04 3872 0.306E-02 0.123E-01 RMM: 7 -0.314711290205E+03 0.64420E-04 -0.60369E-05 3422 0.233E-02 0.768E-02 RMM: 8 -0.314711255018E+03 0.35187E-04 -0.25634E-05 2841 0.157E-02 0.271E-02 RMM: 9 -0.314711266729E+03 -0.11711E-04 -0.13311E-05 2494 0.104E-02 2241 T= 6666. E= 0.68731713E+03 F= 0.63217471E+03 E0= 0.66034559E+03 EK= 0.55142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314574640871E+03 0.13661E+00 -0.18982E-01 7764 0.243E+01 0.256E-01 RMM: 2 -0.314586108026E+03 -0.11467E-01 -0.10400E-01 4916 0.760E-01 0.680E-01 RMM: 3 -0.314582759764E+03 0.33483E-02 -0.11625E-02 5908 0.201E-01 0.155E-01 RMM: 4 -0.314583148543E+03 -0.38878E-03 -0.10526E-03 4819 0.831E-02 0.336E-01 RMM: 5 -0.314582373352E+03 0.77519E-03 -0.40472E-04 4351 0.538E-02 0.780E-02 RMM: 6 -0.314582398773E+03 -0.25421E-04 -0.14647E-04 3871 0.320E-02 0.101E-01 RMM: 7 -0.314582345250E+03 0.53523E-04 -0.46941E-05 3239 0.217E-02 0.506E-02 RMM: 8 -0.314582330256E+03 0.14995E-04 -0.11045E-05 2506 0.103E-02 2242 T= 6502. E= 0.68635482E+03 F= 0.63256677E+03 E0= 0.66078273E+03 EK= 0.53788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314581834303E+03 0.51095E-03 -0.18153E-01 7500 0.240E+01 0.282E-01 RMM: 2 -0.314591712313E+03 -0.98780E-02 -0.10049E-01 5005 0.738E-01 0.548E-01 RMM: 3 -0.314589653263E+03 0.20590E-02 -0.10870E-02 5792 0.197E-01 0.230E-01 RMM: 4 -0.314590001045E+03 -0.34778E-03 -0.12232E-03 4855 0.885E-02 0.365E-01 RMM: 5 -0.314589133400E+03 0.86764E-03 -0.54290E-04 4546 0.618E-02 0.113E-01 RMM: 6 -0.314589130631E+03 0.27697E-05 -0.17203E-04 3878 0.342E-02 2243 T= 6335. E= 0.68523842E+03 F= 0.63282997E+03 E0= 0.66108779E+03 EK= 0.52408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314756669423E+03 -0.16754E+00 -0.17642E-01 7524 0.237E+01 0.373E-01 RMM: 2 -0.314779497197E+03 -0.22828E-01 -0.10182E-01 4983 0.773E-01 0.150E+00 RMM: 3 -0.314763963255E+03 0.15534E-01 -0.14224E-02 5398 0.274E-01 0.300E-01 RMM: 4 -0.314763738591E+03 0.22466E-03 -0.20389E-03 5045 0.102E-01 0.268E-01 RMM: 5 -0.314763570610E+03 0.16798E-03 -0.70244E-04 4582 0.700E-02 0.233E-01 RMM: 6 -0.314763240046E+03 0.33056E-03 -0.27423E-04 3907 0.442E-02 0.857E-02 RMM: 7 -0.314763316837E+03 -0.76791E-04 -0.14029E-04 3869 0.332E-02 0.136E-01 RMM: 8 -0.314763204992E+03 0.11185E-03 -0.66460E-05 3480 0.251E-02 0.463E-02 RMM: 9 -0.314763200315E+03 0.46763E-05 -0.15904E-05 2538 0.117E-02 2244 T= 6226. E= 0.68443448E+03 F= 0.63293269E+03 E0= 0.66123177E+03 EK= 0.51502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315111736620E+03 -0.34853E+00 -0.17976E-01 7728 0.237E+01 0.401E-01 RMM: 2 -0.315148463839E+03 -0.36727E-01 -0.11604E-01 4918 0.817E-01 0.203E+00 RMM: 3 -0.315119638165E+03 0.28826E-01 -0.17327E-02 5377 0.311E-01 0.300E-01 RMM: 4 -0.315119500491E+03 0.13767E-03 -0.25135E-03 5203 0.110E-01 0.295E-01 RMM: 5 -0.315119334482E+03 0.16601E-03 -0.57645E-04 4531 0.602E-02 0.255E-01 RMM: 6 -0.315118889034E+03 0.44545E-03 -0.24535E-04 3890 0.420E-02 0.482E-02 RMM: 7 -0.315118921786E+03 -0.32752E-04 -0.71916E-05 3492 0.231E-02 0.874E-02 RMM: 8 -0.315118875591E+03 0.46195E-04 -0.27979E-05 2885 0.175E-02 0.323E-02 RMM: 9 -0.315118870413E+03 0.51781E-05 -0.75563E-06 2470 0.803E-03 2245 T= 6209. E= 0.68422611E+03 F= 0.63285950E+03 E0= 0.66119690E+03 EK= 0.51367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315644105931E+03 -0.52523E+00 -0.18026E-01 7668 0.238E+01 0.347E-01 RMM: 2 -0.315662560414E+03 -0.18454E-01 -0.10193E-01 4963 0.754E-01 0.127E+00 RMM: 3 -0.315651429024E+03 0.11131E-01 -0.12565E-02 5447 0.245E-01 0.260E-01 RMM: 4 -0.315651720323E+03 -0.29130E-03 -0.19078E-03 5010 0.102E-01 0.352E-01 RMM: 5 -0.315651029825E+03 0.69050E-03 -0.62414E-04 4581 0.665E-02 0.182E-01 RMM: 6 -0.315650834448E+03 0.19538E-03 -0.19166E-04 3878 0.357E-02 0.779E-02 RMM: 7 -0.315650869561E+03 -0.35113E-04 -0.91491E-05 3689 0.274E-02 0.108E-01 RMM: 8 -0.315650795752E+03 0.73808E-04 -0.39037E-05 3135 0.196E-02 0.313E-02 RMM: 9 -0.315650798341E+03 -0.25886E-05 -0.12152E-05 2500 0.981E-03 2246 T= 6291. E= 0.68465351E+03 F= 0.63261406E+03 E0= 0.66098854E+03 EK= 0.52039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316326287239E+03 -0.67549E+00 -0.18448E-01 7968 0.240E+01 0.324E-01 RMM: 2 -0.316340684247E+03 -0.14397E-01 -0.10439E-01 4913 0.763E-01 0.994E-01 RMM: 3 -0.316333901810E+03 0.67824E-02 -0.11940E-02 5625 0.223E-01 0.224E-01 RMM: 4 -0.316334373540E+03 -0.47173E-03 -0.17330E-03 5020 0.101E-01 0.380E-01 RMM: 5 -0.316333549336E+03 0.82420E-03 -0.60018E-04 4571 0.650E-02 0.167E-01 RMM: 6 -0.316333376339E+03 0.17300E-03 -0.15561E-04 3875 0.328E-02 0.575E-02 RMM: 7 -0.316333429158E+03 -0.52819E-04 -0.63695E-05 3438 0.221E-02 0.105E-01 RMM: 8 -0.316333359125E+03 0.70033E-04 -0.33857E-05 3012 0.187E-02 0.282E-02 RMM: 9 -0.316333360774E+03 -0.16488E-05 -0.10179E-05 2482 0.907E-03 2247 T= 6442. E= 0.68550967E+03 F= 0.63222043E+03 E0= 0.66063120E+03 EK= 0.53289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317117564139E+03 -0.78421E+00 -0.19266E-01 7920 0.243E+01 0.323E-01 RMM: 2 -0.317130420792E+03 -0.12857E-01 -0.11444E-01 4909 0.788E-01 0.785E-01 RMM: 3 -0.317126254779E+03 0.41660E-02 -0.12930E-02 5702 0.221E-01 0.241E-01 RMM: 4 -0.317126819950E+03 -0.56517E-03 -0.16423E-03 4993 0.993E-02 0.413E-01 RMM: 5 -0.317125707463E+03 0.11125E-02 -0.63519E-04 4554 0.665E-02 0.121E-01 RMM: 6 -0.317125635770E+03 0.71693E-04 -0.13108E-04 3859 0.291E-02 0.754E-02 RMM: 7 -0.317125656222E+03 -0.20452E-04 -0.66509E-05 3469 0.229E-02 0.966E-02 RMM: 8 -0.317125597149E+03 0.59073E-04 -0.35058E-05 3048 0.187E-02 0.275E-02 RMM: 9 -0.317125601312E+03 -0.41626E-05 -0.11523E-05 2485 0.956E-03 2248 T= 6608. E= 0.68638285E+03 F= 0.63171888E+03 E0= 0.66016577E+03 EK= 0.54664E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317965385433E+03 -0.83979E+00 -0.19715E-01 8040 0.246E+01 0.333E-01 RMM: 2 -0.317980118271E+03 -0.14733E-01 -0.11706E-01 4911 0.804E-01 0.941E-01 RMM: 3 -0.317974034909E+03 0.60834E-02 -0.13042E-02 5676 0.228E-01 0.235E-01 RMM: 4 -0.317974693316E+03 -0.65841E-03 -0.18346E-03 5079 0.105E-01 0.424E-01 RMM: 5 -0.317973574832E+03 0.11185E-02 -0.65902E-04 4577 0.678E-02 0.144E-01 RMM: 6 -0.317973453570E+03 0.12126E-03 -0.13894E-04 3862 0.303E-02 0.629E-02 RMM: 7 -0.317973488670E+03 -0.35100E-04 -0.62298E-05 3427 0.220E-02 0.978E-02 RMM: 8 -0.317973426166E+03 0.62504E-04 -0.33722E-05 3020 0.184E-02 0.245E-02 RMM: 9 -0.317973432213E+03 -0.60464E-05 -0.11659E-05 2488 0.967E-03 2249 T= 6723. E= 0.68678307E+03 F= 0.63116402E+03 E0= 0.65964672E+03 EK= 0.55619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318813064940E+03 -0.83964E+00 -0.20035E-01 7944 0.247E+01 0.333E-01 RMM: 2 -0.318826875109E+03 -0.13810E-01 -0.11995E-01 4925 0.807E-01 0.842E-01 RMM: 3 -0.318821975838E+03 0.48993E-02 -0.13199E-02 5687 0.227E-01 0.244E-01 RMM: 4 -0.318822556647E+03 -0.58081E-03 -0.17660E-03 5052 0.103E-01 0.414E-01 RMM: 5 -0.318821471710E+03 0.10849E-02 -0.65142E-04 4589 0.671E-02 0.148E-01 RMM: 6 -0.318821347050E+03 0.12466E-03 -0.15341E-04 3875 0.316E-02 0.698E-02 RMM: 7 -0.318821385230E+03 -0.38180E-04 -0.66723E-05 3483 0.229E-02 0.104E-01 RMM: 8 -0.318821314726E+03 0.70504E-04 -0.33955E-05 3030 0.184E-02 0.257E-02 RMM: 9 -0.318821321093E+03 -0.63675E-05 -0.12151E-05 2497 0.972E-03 2250 T= 6737. E= 0.68634908E+03 F= 0.63061303E+03 E0= 0.65913059E+03 EK= 0.55736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319614441145E+03 -0.79313E+00 -0.20420E-01 8040 0.246E+01 0.327E-01 RMM: 2 -0.319628937721E+03 -0.14497E-01 -0.13334E-01 4887 0.847E-01 0.779E-01 RMM: 3 -0.319624722060E+03 0.42157E-02 -0.14898E-02 5814 0.229E-01 0.243E-01 RMM: 4 -0.319625312301E+03 -0.59024E-03 -0.16987E-03 5076 0.102E-01 0.431E-01 RMM: 5 -0.319624121826E+03 0.11905E-02 -0.67382E-04 4592 0.687E-02 0.130E-01 RMM: 6 -0.319624041960E+03 0.79867E-04 -0.15490E-04 3876 0.318E-02 0.801E-02 RMM: 7 -0.319624064112E+03 -0.22152E-04 -0.66572E-05 3469 0.233E-02 0.101E-01 RMM: 8 -0.319623999610E+03 0.64502E-04 -0.33653E-05 3037 0.182E-02 0.266E-02 RMM: 9 -0.319624005224E+03 -0.56143E-05 -0.12335E-05 2494 0.993E-03 2251 T= 6640. E= 0.68504394E+03 F= 0.63011343E+03 E0= 0.65866372E+03 EK= 0.54931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320342368446E+03 -0.71837E+00 -0.21768E-01 7968 0.243E+01 0.330E-01 RMM: 2 -0.320358615476E+03 -0.16247E-01 -0.14277E-01 4868 0.891E-01 0.850E-01 RMM: 3 -0.320353376946E+03 0.52385E-02 -0.15838E-02 5784 0.238E-01 0.224E-01 RMM: 4 -0.320353943682E+03 -0.56674E-03 -0.18379E-03 5101 0.107E-01 0.421E-01 RMM: 5 -0.320352833673E+03 0.11100E-02 -0.69451E-04 4604 0.700E-02 0.146E-01 RMM: 6 -0.320352733654E+03 0.10002E-03 -0.17164E-04 3880 0.334E-02 0.861E-02 RMM: 7 -0.320352761558E+03 -0.27904E-04 -0.76568E-05 3567 0.250E-02 0.108E-01 RMM: 8 -0.320352686327E+03 0.75230E-04 -0.38211E-05 3128 0.192E-02 0.251E-02 RMM: 9 -0.320352694216E+03 -0.78885E-05 -0.11528E-05 2498 0.953E-03 2252 T= 6466. E= 0.68319086E+03 F= 0.62969608E+03 E0= 0.65827530E+03 EK= 0.53495E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320984540975E+03 -0.63185E+00 -0.20611E-01 7908 0.240E+01 0.320E-01 RMM: 2 -0.320997687481E+03 -0.13147E-01 -0.12557E-01 4855 0.825E-01 0.708E-01 RMM: 3 -0.320994054343E+03 0.36331E-02 -0.13933E-02 5788 0.226E-01 0.238E-01 RMM: 4 -0.320994645070E+03 -0.59073E-03 -0.16239E-03 5068 0.100E-01 0.425E-01 RMM: 5 -0.320993489243E+03 0.11558E-02 -0.67643E-04 4600 0.691E-02 0.134E-01 RMM: 6 -0.320993423206E+03 0.66037E-04 -0.17860E-04 3879 0.343E-02 0.948E-02 RMM: 7 -0.320993430152E+03 -0.69454E-05 -0.73045E-05 3557 0.254E-02 2253 T= 6279. E= 0.68131947E+03 F= 0.62937600E+03 E0= 0.65797885E+03 EK= 0.51943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321534841984E+03 -0.54142E+00 -0.19474E-01 7932 0.237E+01 0.349E-01 RMM: 2 -0.321546643932E+03 -0.11802E-01 -0.11546E-01 4958 0.785E-01 0.697E-01 RMM: 3 -0.321543348657E+03 0.32953E-02 -0.12800E-02 5781 0.214E-01 0.282E-01 RMM: 4 -0.321544085794E+03 -0.73714E-03 -0.18226E-03 5038 0.107E-01 0.477E-01 RMM: 5 -0.321542588713E+03 0.14971E-02 -0.87151E-04 4605 0.787E-02 0.111E-01 RMM: 6 -0.321542642665E+03 -0.53951E-04 -0.21766E-04 3890 0.373E-02 0.146E-01 RMM: 7 -0.321542557572E+03 0.85092E-04 -0.94690E-05 3721 0.294E-02 0.947E-02 RMM: 8 -0.321542502822E+03 0.54750E-04 -0.39510E-05 3153 0.187E-02 0.307E-02 RMM: 9 -0.321542524312E+03 -0.21490E-04 -0.17948E-05 2547 0.121E-02 0.573E-02 RMM: 10 -0.321542511001E+03 0.13310E-04 -0.12889E-05 2493 0.118E-02 2254 T= 6139. E= 0.67994458E+03 F= 0.62915642E+03 E0= 0.65777814E+03 EK= 0.50788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321987296468E+03 -0.44477E+00 -0.19994E-01 7680 0.235E+01 0.293E-01 RMM: 2 -0.322002287408E+03 -0.14991E-01 -0.14772E-01 4746 0.882E-01 0.648E-01 RMM: 3 -0.321999011313E+03 0.32761E-02 -0.16630E-02 5903 0.233E-01 0.213E-01 RMM: 4 -0.321999318578E+03 -0.30726E-03 -0.15552E-03 5113 0.984E-02 0.377E-01 RMM: 5 -0.321998421988E+03 0.89659E-03 -0.55020E-04 4586 0.626E-02 0.124E-01 RMM: 6 -0.321998358536E+03 0.63452E-04 -0.16439E-04 3879 0.328E-02 0.836E-02 RMM: 7 -0.321998347224E+03 0.11311E-04 -0.48263E-05 3255 0.220E-02 2255 T= 6089. E= 0.67941288E+03 F= 0.62903697E+03 E0= 0.65767208E+03 EK= 0.50376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322353663941E+03 -0.35531E+00 -0.17857E-01 7956 0.235E+01 0.364E-01 RMM: 2 -0.322360895327E+03 -0.72314E-02 -0.80955E-02 5049 0.664E-01 0.596E-01 RMM: 3 -0.322358811304E+03 0.20840E-02 -0.88732E-03 5590 0.194E-01 0.321E-01 RMM: 4 -0.322359627074E+03 -0.81577E-03 -0.15993E-03 4878 0.995E-02 0.502E-01 RMM: 5 -0.322357955377E+03 0.16717E-02 -0.83617E-04 4594 0.762E-02 0.110E-01 RMM: 6 -0.322357993233E+03 -0.37856E-04 -0.20599E-04 3885 0.361E-02 0.138E-01 RMM: 7 -0.322357918257E+03 0.74976E-04 -0.84022E-05 3666 0.276E-02 0.918E-02 RMM: 8 -0.322357866963E+03 0.51294E-04 -0.34431E-05 3060 0.175E-02 0.314E-02 RMM: 9 -0.322357887311E+03 -0.20348E-04 -0.19035E-05 2553 0.124E-02 0.575E-02 RMM: 10 -0.322357871956E+03 0.15355E-04 -0.13582E-05 2498 0.121E-02 2256 T= 6143. E= 0.67983915E+03 F= 0.62901775E+03 E0= 0.65765995E+03 EK= 0.50821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322605607386E+03 -0.24772E+00 -0.19815E-01 7776 0.237E+01 0.286E-01 RMM: 2 -0.322615833488E+03 -0.10226E-01 -0.11565E-01 4865 0.782E-01 0.406E-01 RMM: 3 -0.322614616419E+03 0.12171E-02 -0.12181E-02 5825 0.205E-01 0.296E-01 RMM: 4 -0.322614603057E+03 0.13362E-04 -0.11863E-03 4893 0.861E-02 0.350E-01 RMM: 5 -0.322613795737E+03 0.80732E-03 -0.46860E-04 4489 0.568E-02 0.836E-02 RMM: 6 -0.322613816200E+03 -0.20464E-04 -0.13090E-04 3853 0.296E-02 0.103E-01 RMM: 7 -0.322613765669E+03 0.50531E-04 -0.47436E-05 3259 0.218E-02 0.574E-02 RMM: 8 -0.322613746127E+03 0.19542E-04 -0.13427E-05 2531 0.115E-02 2257 T= 6285. E= 0.68109724E+03 F= 0.62910304E+03 E0= 0.65774760E+03 EK= 0.51994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322752629096E+03 -0.13886E+00 -0.18385E-01 7704 0.240E+01 0.354E-01 RMM: 2 -0.322761014786E+03 -0.83857E-02 -0.80114E-02 5082 0.647E-01 0.714E-01 RMM: 3 -0.322757673225E+03 0.33416E-02 -0.84059E-03 5519 0.189E-01 0.293E-01 RMM: 4 -0.322758372910E+03 -0.69968E-03 -0.17521E-03 4938 0.104E-01 0.457E-01 RMM: 5 -0.322757018885E+03 0.13540E-02 -0.80563E-04 4599 0.762E-02 0.140E-01 RMM: 6 -0.322756940924E+03 0.77962E-04 -0.19735E-04 3891 0.363E-02 0.966E-02 RMM: 7 -0.322756962489E+03 -0.21565E-04 -0.70552E-05 3538 0.247E-02 0.116E-01 RMM: 8 -0.322756876909E+03 0.85580E-04 -0.34799E-05 3032 0.182E-02 0.277E-02 RMM: 9 -0.322756890699E+03 -0.13790E-04 -0.18434E-05 2534 0.121E-02 2258 T= 6471. E= 0.68283490E+03 F= 0.62929973E+03 E0= 0.65794142E+03 EK= 0.53535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322782109036E+03 -0.25232E-01 -0.18860E-01 7800 0.243E+01 0.317E-01 RMM: 2 -0.322791110039E+03 -0.90010E-02 -0.78727E-02 5078 0.642E-01 0.750E-01 RMM: 3 -0.322787225474E+03 0.38846E-02 -0.83714E-03 5484 0.191E-01 0.248E-01 RMM: 4 -0.322787966896E+03 -0.74142E-03 -0.14538E-03 4834 0.941E-02 0.431E-01 RMM: 5 -0.322786715452E+03 0.12514E-02 -0.66382E-04 4564 0.685E-02 0.102E-01 RMM: 6 -0.322786710072E+03 0.53800E-05 -0.14674E-04 3874 0.307E-02 2259 T= 6640. E= 0.68453894E+03 F= 0.62960771E+03 E0= 0.65824266E+03 EK= 0.54931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322716043491E+03 0.70672E-01 -0.19022E-01 7596 0.245E+01 0.419E-01 RMM: 2 -0.322740545655E+03 -0.24502E-01 -0.85901E-02 5118 0.692E-01 0.167E+00 RMM: 3 -0.322720954161E+03 0.19591E-01 -0.12628E-02 5367 0.264E-01 0.307E-01 RMM: 4 -0.322721273317E+03 -0.31916E-03 -0.24861E-03 5227 0.117E-01 0.399E-01 RMM: 5 -0.322720564034E+03 0.70928E-03 -0.92223E-04 4599 0.801E-02 0.260E-01 RMM: 6 -0.322720150468E+03 0.41357E-03 -0.36677E-04 3971 0.516E-02 0.994E-02 RMM: 7 -0.322720238697E+03 -0.88229E-04 -0.15376E-04 3889 0.337E-02 0.152E-01 RMM: 8 -0.322720095856E+03 0.14284E-03 -0.84189E-05 3680 0.278E-02 0.530E-02 RMM: 9 -0.322720086425E+03 0.94309E-05 -0.19691E-05 2597 0.131E-02 2260 T= 6731. E= 0.68569347E+03 F= 0.63001101E+03 E0= 0.65863668E+03 EK= 0.55682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322593511769E+03 0.12658E+00 -0.19203E-01 7692 0.245E+01 0.402E-01 RMM: 2 -0.322620816643E+03 -0.27305E-01 -0.10187E-01 4933 0.764E-01 0.174E+00 RMM: 3 -0.322599984384E+03 0.20832E-01 -0.14926E-02 5362 0.290E-01 0.317E-01 RMM: 4 -0.322599951753E+03 0.32631E-04 -0.25724E-03 5260 0.116E-01 0.331E-01 RMM: 5 -0.322599514778E+03 0.43698E-03 -0.68953E-04 4587 0.700E-02 0.231E-01 RMM: 6 -0.322599157706E+03 0.35707E-03 -0.20702E-04 3886 0.381E-02 0.625E-02 RMM: 7 -0.322599228050E+03 -0.70344E-04 -0.10657E-04 3800 0.275E-02 0.120E-01 RMM: 8 -0.322599141780E+03 0.86270E-04 -0.44290E-05 3210 0.208E-02 0.427E-02 RMM: 9 -0.322599131759E+03 0.10021E-04 -0.10564E-05 2490 0.948E-03 2261 T= 6712. E= 0.68599684E+03 F= 0.63046965E+03 E0= 0.65908498E+03 EK= 0.55527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322480312278E+03 0.11883E+00 -0.18580E-01 7560 0.244E+01 0.366E-01 RMM: 2 -0.322499105724E+03 -0.18793E-01 -0.10727E-01 4900 0.782E-01 0.127E+00 RMM: 3 -0.322487868566E+03 0.11237E-01 -0.13306E-02 5453 0.253E-01 0.278E-01 RMM: 4 -0.322488095952E+03 -0.22739E-03 -0.20812E-03 5144 0.108E-01 0.369E-01 RMM: 5 -0.322487534934E+03 0.56102E-03 -0.87683E-04 4601 0.802E-02 0.250E-01 RMM: 6 -0.322487152179E+03 0.38275E-03 -0.31462E-04 3911 0.471E-02 0.900E-02 RMM: 7 -0.322487218400E+03 -0.66221E-04 -0.16314E-04 3884 0.362E-02 0.136E-01 RMM: 8 -0.322487098760E+03 0.11964E-03 -0.76235E-05 3546 0.263E-02 0.387E-02 RMM: 9 -0.322487097951E+03 0.80868E-06 -0.14940E-05 2530 0.114E-02 2262 T= 6598. E= 0.68550216E+03 F= 0.63092283E+03 E0= 0.65952913E+03 EK= 0.54579E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322449186366E+03 0.37912E-01 -0.17686E-01 7704 0.241E+01 0.346E-01 RMM: 2 -0.322464327401E+03 -0.15141E-01 -0.98005E-02 4894 0.754E-01 0.111E+00 RMM: 3 -0.322455975737E+03 0.83517E-02 -0.11781E-02 5465 0.235E-01 0.242E-01 RMM: 4 -0.322456497985E+03 -0.52225E-03 -0.18961E-03 5112 0.106E-01 0.393E-01 RMM: 5 -0.322455578760E+03 0.91922E-03 -0.82286E-04 4599 0.779E-02 0.165E-01 RMM: 6 -0.322455456591E+03 0.12217E-03 -0.23277E-04 3892 0.394E-02 0.102E-01 RMM: 7 -0.322455481322E+03 -0.24731E-04 -0.10281E-04 3806 0.304E-02 0.118E-01 RMM: 8 -0.322455390963E+03 0.90359E-04 -0.40408E-05 3168 0.195E-02 0.305E-02 RMM: 9 -0.322455397777E+03 -0.68138E-05 -0.12505E-05 2503 0.101E-02 2263 T= 6439. E= 0.68456657E+03 F= 0.63130108E+03 E0= 0.65990115E+03 EK= 0.53265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322562030100E+03 -0.10664E+00 -0.17246E-01 7512 0.238E+01 0.335E-01 RMM: 2 -0.322574854783E+03 -0.12825E-01 -0.10123E-01 4880 0.761E-01 0.913E-01 RMM: 3 -0.322569210015E+03 0.56448E-02 -0.11329E-02 5525 0.224E-01 0.255E-01 RMM: 4 -0.322569603943E+03 -0.39393E-03 -0.17985E-03 5066 0.104E-01 0.384E-01 RMM: 5 -0.322568754157E+03 0.84979E-03 -0.85849E-04 4598 0.806E-02 0.174E-01 RMM: 6 -0.322568612113E+03 0.14204E-03 -0.22814E-04 3891 0.396E-02 0.103E-01 RMM: 7 -0.322568628436E+03 -0.16323E-04 -0.11247E-04 3837 0.323E-02 2264 T= 6300. E= 0.68365708E+03 F= 0.63154050E+03 E0= 0.66013832E+03 EK= 0.52117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322864688689E+03 -0.29608E+00 -0.16104E-01 7524 0.237E+01 0.384E-01 RMM: 2 -0.322874953195E+03 -0.10265E-01 -0.84238E-02 5073 0.688E-01 0.890E-01 RMM: 3 -0.322869717227E+03 0.52360E-02 -0.91407E-03 5422 0.208E-01 0.289E-01 RMM: 4 -0.322870624408E+03 -0.90718E-03 -0.21947E-03 5140 0.118E-01 0.485E-01 RMM: 5 -0.322869146256E+03 0.14782E-02 -0.10724E-03 4608 0.894E-02 0.169E-01 RMM: 6 -0.322869033518E+03 0.11274E-03 -0.25097E-04 3917 0.408E-02 0.119E-01 RMM: 7 -0.322869055770E+03 -0.22252E-04 -0.14765E-04 3880 0.353E-02 0.135E-01 RMM: 8 -0.322868943569E+03 0.11220E-03 -0.68831E-05 3481 0.248E-02 0.384E-02 RMM: 9 -0.322868956214E+03 -0.12645E-04 -0.19593E-05 2573 0.128E-02 2265 T= 6232. E= 0.68315213E+03 F= 0.63159825E+03 E0= 0.66019717E+03 EK= 0.51554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323362539525E+03 -0.49360E+00 -0.16581E-01 7992 0.236E+01 0.311E-01 RMM: 2 -0.323374497340E+03 -0.11958E-01 -0.10048E-01 4993 0.740E-01 0.828E-01 RMM: 3 -0.323369645514E+03 0.48518E-02 -0.10392E-02 5581 0.206E-01 0.216E-01 RMM: 4 -0.323370249690E+03 -0.60418E-03 -0.16520E-03 4940 0.101E-01 0.398E-01 RMM: 5 -0.323369282065E+03 0.96762E-03 -0.67984E-04 4598 0.707E-02 0.149E-01 RMM: 6 -0.323369154030E+03 0.12804E-03 -0.15548E-04 3875 0.322E-02 0.679E-02 RMM: 7 -0.323369196806E+03 -0.42777E-04 -0.65890E-05 3471 0.233E-02 0.105E-01 RMM: 8 -0.323369124263E+03 0.72543E-04 -0.31601E-05 3004 0.181E-02 0.230E-02 RMM: 9 -0.323369124685E+03 -0.42205E-06 -0.67282E-06 2463 0.717E-03 2266 T= 6257. E= 0.68322448E+03 F= 0.63145986E+03 E0= 0.66006393E+03 EK= 0.51765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324043890645E+03 -0.67477E+00 -0.16145E-01 7920 0.238E+01 0.385E-01 RMM: 2 -0.324054996058E+03 -0.11105E-01 -0.93140E-02 5104 0.713E-01 0.894E-01 RMM: 3 -0.324049591699E+03 0.54044E-02 -0.10151E-02 5468 0.217E-01 0.288E-01 RMM: 4 -0.324050641157E+03 -0.10495E-02 -0.22665E-03 5114 0.119E-01 0.505E-01 RMM: 5 -0.324048976879E+03 0.16643E-02 -0.95314E-04 4604 0.826E-02 0.138E-01 RMM: 6 -0.324048899223E+03 0.77655E-04 -0.18090E-04 3888 0.341E-02 0.964E-02 RMM: 7 -0.324048917993E+03 -0.18769E-04 -0.88012E-05 3720 0.267E-02 2267 T= 6366. E= 0.68380879E+03 F= 0.63114356E+03 E0= 0.65975544E+03 EK= 0.52665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324853855571E+03 -0.80496E+00 -0.16376E-01 8208 0.240E+01 0.395E-01 RMM: 2 -0.324863014716E+03 -0.91591E-02 -0.91002E-02 5222 0.694E-01 0.762E-01 RMM: 3 -0.324859328715E+03 0.36860E-02 -0.89292E-03 5449 0.207E-01 0.321E-01 RMM: 4 -0.324860512664E+03 -0.11839E-02 -0.18865E-03 4875 0.105E-01 0.542E-01 RMM: 5 -0.324858581063E+03 0.19316E-02 -0.97085E-04 4611 0.831E-02 0.134E-01 RMM: 6 -0.324858533230E+03 0.47833E-04 -0.21007E-04 3890 0.361E-02 0.113E-01 RMM: 7 -0.324858539705E+03 -0.64755E-05 -0.95769E-05 3800 0.284E-02 2268 T= 6518. E= 0.68461785E+03 F= 0.63069773E+03 E0= 0.65931986E+03 EK= 0.53920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325717686326E+03 -0.85915E+00 -0.17519E-01 8136 0.243E+01 0.388E-01 RMM: 2 -0.325732939615E+03 -0.15253E-01 -0.12592E-01 5069 0.805E-01 0.981E-01 RMM: 3 -0.325726321857E+03 0.66178E-02 -0.13258E-02 5521 0.239E-01 0.286E-01 RMM: 4 -0.325727317899E+03 -0.99604E-03 -0.22436E-03 5096 0.115E-01 0.494E-01 RMM: 5 -0.325725765879E+03 0.15520E-02 -0.87054E-04 4608 0.785E-02 0.171E-01 RMM: 6 -0.325725586294E+03 0.17958E-03 -0.21511E-04 3896 0.374E-02 0.698E-02 RMM: 7 -0.325725654802E+03 -0.68508E-04 -0.82898E-05 3633 0.254E-02 0.122E-01 RMM: 8 -0.325725560594E+03 0.94208E-04 -0.37436E-05 3080 0.191E-02 0.351E-02 RMM: 9 -0.325725561808E+03 -0.12139E-05 -0.16149E-05 2515 0.113E-02 2269 T= 6652. E= 0.68522156E+03 F= 0.63019469E+03 E0= 0.65882821E+03 EK= 0.55027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326561422605E+03 -0.83586E+00 -0.17740E-01 8580 0.244E+01 0.365E-01 RMM: 2 -0.326572726291E+03 -0.11304E-01 -0.10169E-01 5308 0.710E-01 0.825E-01 RMM: 3 -0.326567901683E+03 0.48246E-02 -0.89177E-03 5480 0.200E-01 0.282E-01 RMM: 4 -0.326568978476E+03 -0.10768E-02 -0.18932E-03 4851 0.106E-01 0.511E-01 RMM: 5 -0.326567314982E+03 0.16635E-02 -0.87734E-04 4591 0.794E-02 0.132E-01 RMM: 6 -0.326567219214E+03 0.95768E-04 -0.16383E-04 3875 0.323E-02 0.695E-02 RMM: 7 -0.326567252915E+03 -0.33701E-04 -0.60355E-05 3422 0.221E-02 0.104E-01 RMM: 8 -0.326567182556E+03 0.70359E-04 -0.30697E-05 2947 0.176E-02 0.245E-02 RMM: 9 -0.326567186191E+03 -0.36356E-05 -0.11008E-05 2478 0.919E-03 2270 T= 6708. E= 0.68521284E+03 F= 0.62971852E+03 E0= 0.65836462E+03 EK= 0.55494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327299956627E+03 -0.73277E+00 -0.18468E-01 8556 0.244E+01 0.388E-01 RMM: 2 -0.327311401837E+03 -0.11445E-01 -0.11516E-01 5201 0.760E-01 0.744E-01 RMM: 3 -0.327307603711E+03 0.37981E-02 -0.10829E-02 5612 0.215E-01 0.319E-01 RMM: 4 -0.327308446312E+03 -0.84260E-03 -0.21232E-03 5037 0.114E-01 0.497E-01 RMM: 5 -0.327306807252E+03 0.16391E-02 -0.97405E-04 4606 0.835E-02 0.135E-01 RMM: 6 -0.327306736913E+03 0.70339E-04 -0.18315E-04 3895 0.342E-02 0.100E-01 RMM: 7 -0.327306753397E+03 -0.16483E-04 -0.89815E-05 3736 0.272E-02 2271 T= 6657. E= 0.68441668E+03 F= 0.62934809E+03 E0= 0.65800861E+03 EK= 0.55069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327886716693E+03 -0.57998E+00 -0.18254E-01 8820 0.242E+01 0.404E-01 RMM: 2 -0.327897699537E+03 -0.10983E-01 -0.10469E-01 5337 0.714E-01 0.811E-01 RMM: 3 -0.327892965244E+03 0.47343E-02 -0.89526E-03 5464 0.206E-01 0.323E-01 RMM: 4 -0.327894087901E+03 -0.11227E-02 -0.22264E-03 5063 0.115E-01 0.542E-01 RMM: 5 -0.327892164789E+03 0.19231E-02 -0.11395E-03 4611 0.919E-02 0.130E-01 RMM: 6 -0.327892145763E+03 0.19026E-04 -0.19735E-04 3883 0.356E-02 2272 T= 6512. E= 0.68300642E+03 F= 0.62913785E+03 E0= 0.65781186E+03 EK= 0.53869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328296690918E+03 -0.40453E+00 -0.18518E-01 8664 0.239E+01 0.499E-01 RMM: 2 -0.328334075306E+03 -0.37384E-01 -0.12007E-01 5082 0.795E-01 0.210E+00 RMM: 3 -0.328303960561E+03 0.30115E-01 -0.18235E-02 5360 0.328E-01 0.461E-01 RMM: 4 -0.328303119065E+03 0.84150E-03 -0.34423E-03 5314 0.135E-01 0.340E-01 RMM: 5 -0.328303197160E+03 -0.78095E-04 -0.13098E-03 4615 0.967E-02 0.374E-01 RMM: 6 -0.328302322102E+03 0.87506E-03 -0.52802E-04 4342 0.611E-02 0.105E-01 RMM: 7 -0.328302385221E+03 -0.63119E-04 -0.18955E-04 3886 0.365E-02 0.142E-01 RMM: 8 -0.328302274218E+03 0.11100E-03 -0.93717E-05 3842 0.300E-02 0.645E-02 RMM: 9 -0.328302253883E+03 0.20334E-04 -0.21576E-05 2697 0.141E-02 0.329E-02 RMM: 10 -0.328302269584E+03 -0.15701E-04 -0.16135E-05 2499 0.119E-02 2273 T= 6325. E= 0.68143229E+03 F= 0.62911030E+03 E0= 0.65780023E+03 EK= 0.52322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328541431655E+03 -0.23918E+00 -0.17769E-01 8424 0.235E+01 0.471E-01 RMM: 2 -0.328577080337E+03 -0.35649E-01 -0.11044E-01 5160 0.757E-01 0.208E+00 RMM: 3 -0.328547671856E+03 0.29408E-01 -0.17306E-02 5360 0.322E-01 0.425E-01 RMM: 4 -0.328547052084E+03 0.61977E-03 -0.31820E-03 5324 0.130E-01 0.328E-01 RMM: 5 -0.328546913303E+03 0.13878E-03 -0.89969E-04 4603 0.778E-02 0.323E-01 RMM: 6 -0.328546243387E+03 0.66992E-03 -0.41257E-04 4158 0.558E-02 0.809E-02 RMM: 7 -0.328546286937E+03 -0.43550E-04 -0.11527E-04 3861 0.284E-02 0.116E-01 RMM: 8 -0.328546207085E+03 0.79852E-04 -0.48570E-05 3278 0.216E-02 0.520E-02 RMM: 9 -0.328546190261E+03 0.16825E-04 -0.13978E-05 2514 0.115E-02 2274 T= 6161. E= 0.68022177E+03 F= 0.62925623E+03 E0= 0.65796129E+03 EK= 0.50966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328646719023E+03 -0.10051E+00 -0.17914E-01 8604 0.233E+01 0.395E-01 RMM: 2 -0.328657530447E+03 -0.10811E-01 -0.93860E-02 5366 0.669E-01 0.854E-01 RMM: 3 -0.328652092946E+03 0.54375E-02 -0.81689E-03 5426 0.197E-01 0.304E-01 RMM: 4 -0.328653274564E+03 -0.11816E-02 -0.22319E-03 5051 0.119E-01 0.541E-01 RMM: 5 -0.328651451302E+03 0.18233E-02 -0.11194E-03 4608 0.910E-02 0.180E-01 RMM: 6 -0.328651321815E+03 0.12949E-03 -0.32058E-04 3929 0.465E-02 0.122E-01 RMM: 7 -0.328651329402E+03 -0.75865E-05 -0.14255E-04 3875 0.364E-02 2275 T= 6074. E= 0.67979415E+03 F= 0.62954619E+03 E0= 0.65826535E+03 EK= 0.50248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328646422005E+03 0.48998E-02 -0.18365E-01 8460 0.232E+01 0.410E-01 RMM: 2 -0.328659427976E+03 -0.13006E-01 -0.97434E-02 5232 0.702E-01 0.101E+00 RMM: 3 -0.328652061882E+03 0.73661E-02 -0.97676E-03 5416 0.218E-01 0.309E-01 RMM: 4 -0.328653165070E+03 -0.11032E-02 -0.24994E-03 5257 0.125E-01 0.529E-01 RMM: 5 -0.328651430920E+03 0.17341E-02 -0.12324E-03 4621 0.957E-02 0.189E-01 RMM: 6 -0.328651301879E+03 0.12904E-03 -0.34443E-04 3911 0.482E-02 0.134E-01 RMM: 7 -0.328651331214E+03 -0.29336E-04 -0.16028E-04 3880 0.382E-02 0.148E-01 RMM: 8 -0.328651196393E+03 0.13482E-03 -0.63192E-05 3457 0.236E-02 0.433E-02 RMM: 9 -0.328651208960E+03 -0.12568E-04 -0.25612E-05 2747 0.146E-02 2276 T= 6094. E= 0.68035658E+03 F= 0.62994320E+03 E0= 0.65867416E+03 EK= 0.50413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328570170380E+03 0.81026E-01 -0.18712E-01 8520 0.233E+01 0.328E-01 RMM: 2 -0.328583214276E+03 -0.13044E-01 -0.98763E-02 5117 0.708E-01 0.929E-01 RMM: 3 -0.328576797564E+03 0.64167E-02 -0.10021E-02 5516 0.211E-01 0.233E-01 RMM: 4 -0.328577428827E+03 -0.63126E-03 -0.18068E-03 5007 0.106E-01 0.411E-01 RMM: 5 -0.328576402953E+03 0.10259E-02 -0.72301E-04 4594 0.726E-02 0.159E-01 RMM: 6 -0.328576265258E+03 0.13770E-03 -0.20139E-04 3887 0.373E-02 0.768E-02 RMM: 7 -0.328576319527E+03 -0.54269E-04 -0.76434E-05 3596 0.253E-02 0.119E-01 RMM: 8 -0.328576225873E+03 0.93653E-04 -0.35405E-05 3051 0.188E-02 0.295E-02 RMM: 9 -0.328576222327E+03 0.35469E-05 -0.84037E-06 2471 0.827E-03 2277 T= 6220. E= 0.68186837E+03 F= 0.63041308E+03 E0= 0.65915375E+03 EK= 0.51455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328441624216E+03 0.13460E+00 -0.19469E-01 8280 0.236E+01 0.398E-01 RMM: 2 -0.328453744301E+03 -0.12120E-01 -0.10082E-01 5090 0.730E-01 0.928E-01 RMM: 3 -0.328447770836E+03 0.59735E-02 -0.10372E-02 5501 0.219E-01 0.297E-01 RMM: 4 -0.328449009153E+03 -0.12383E-02 -0.24195E-03 5215 0.124E-01 0.546E-01 RMM: 5 -0.328447092125E+03 0.19170E-02 -0.10855E-03 4603 0.886E-02 0.159E-01 RMM: 6 -0.328447007220E+03 0.84905E-04 -0.25877E-04 3897 0.414E-02 0.119E-01 RMM: 7 -0.328447012391E+03 -0.51711E-05 -0.11087E-04 3866 0.311E-02 2278 T= 6419. E= 0.68403169E+03 F= 0.63093221E+03 E0= 0.65968026E+03 EK= 0.53099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328269236672E+03 0.17777E+00 -0.19901E-01 8028 0.240E+01 0.394E-01 RMM: 2 -0.328278860465E+03 -0.96238E-02 -0.96368E-02 5072 0.717E-01 0.732E-01 RMM: 3 -0.328275368020E+03 0.34924E-02 -0.98467E-03 5567 0.209E-01 0.323E-01 RMM: 4 -0.328276292855E+03 -0.92483E-03 -0.20986E-03 5137 0.116E-01 0.515E-01 RMM: 5 -0.328274537299E+03 0.17556E-02 -0.10417E-03 4601 0.867E-02 0.127E-01 RMM: 6 -0.328274553898E+03 -0.16599E-04 -0.22472E-04 3890 0.382E-02 0.141E-01 RMM: 7 -0.328274511225E+03 0.42673E-04 -0.11610E-04 3877 0.316E-02 0.117E-01 RMM: 8 -0.328274428672E+03 0.82553E-04 -0.47839E-05 3273 0.202E-02 0.353E-02 RMM: 9 -0.328274447352E+03 -0.18680E-04 -0.21748E-05 2568 0.133E-02 2279 T= 6628. E= 0.68632000E+03 F= 0.63148852E+03 E0= 0.66024130E+03 EK= 0.54831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328056571215E+03 0.21786E+00 -0.21034E-01 7944 0.244E+01 0.347E-01 RMM: 2 -0.328070760283E+03 -0.14189E-01 -0.11715E-01 4867 0.813E-01 0.934E-01 RMM: 3 -0.328064707267E+03 0.60530E-02 -0.13142E-02 5623 0.240E-01 0.231E-01 RMM: 4 -0.328065561039E+03 -0.85377E-03 -0.18588E-03 5132 0.106E-01 0.454E-01 RMM: 5 -0.328064327400E+03 0.12336E-02 -0.68715E-04 4597 0.689E-02 0.173E-01 RMM: 6 -0.328064137894E+03 0.18951E-03 -0.21050E-04 3900 0.380E-02 0.585E-02 RMM: 7 -0.328064186459E+03 -0.48566E-04 -0.65837E-05 3463 0.232E-02 0.106E-01 RMM: 8 -0.328064113768E+03 0.72692E-04 -0.29335E-05 2907 0.174E-02 0.281E-02 RMM: 9 -0.328064111393E+03 0.23749E-05 -0.91564E-06 2465 0.852E-03 2280 T= 6773. E= 0.68810557E+03 F= 0.63207738E+03 E0= 0.66083359E+03 EK= 0.56028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327821627614E+03 0.24249E+00 -0.19925E-01 7848 0.245E+01 0.400E-01 RMM: 2 -0.327833815388E+03 -0.12188E-01 -0.97575E-02 5073 0.736E-01 0.956E-01 RMM: 3 -0.327827481334E+03 0.63341E-02 -0.10372E-02 5514 0.220E-01 0.301E-01 RMM: 4 -0.327828456196E+03 -0.97486E-03 -0.23972E-03 5220 0.123E-01 0.502E-01 RMM: 5 -0.327826919547E+03 0.15366E-02 -0.98583E-04 4616 0.843E-02 0.201E-01 RMM: 6 -0.327826687556E+03 0.23199E-03 -0.24223E-04 3905 0.404E-02 0.910E-02 RMM: 7 -0.327826758083E+03 -0.70527E-04 -0.14589E-04 3884 0.331E-02 0.138E-01 RMM: 8 -0.327826633711E+03 0.12437E-03 -0.72435E-05 3523 0.252E-02 0.393E-02 RMM: 9 -0.327826633354E+03 0.35703E-06 -0.16072E-05 2529 0.115E-02 2281 T= 6795. E= 0.68890720E+03 F= 0.63269084E+03 E0= 0.66145049E+03 EK= 0.56216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327584994502E+03 0.24164E+00 -0.20063E-01 7908 0.245E+01 0.379E-01 RMM: 2 -0.327598366654E+03 -0.13372E-01 -0.10497E-01 4986 0.767E-01 0.987E-01 RMM: 3 -0.327591746191E+03 0.66205E-02 -0.11672E-02 5532 0.232E-01 0.269E-01 RMM: 4 -0.327592712844E+03 -0.96665E-03 -0.21462E-03 5171 0.115E-01 0.483E-01 RMM: 5 -0.327591271564E+03 0.14413E-02 -0.87036E-04 4598 0.782E-02 0.181E-01 RMM: 6 -0.327591094453E+03 0.17711E-03 -0.25256E-04 3903 0.414E-02 0.890E-02 RMM: 7 -0.327591150525E+03 -0.56073E-04 -0.10647E-04 3828 0.290E-02 0.127E-01 RMM: 8 -0.327591047379E+03 0.10315E-03 -0.50177E-05 3281 0.211E-02 0.355E-02 RMM: 9 -0.327591049871E+03 -0.24922E-05 -0.15375E-05 2506 0.113E-02 2282 T= 6688. E= 0.68863371E+03 F= 0.63330336E+03 E0= 0.66206752E+03 EK= 0.55330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327400413943E+03 0.19063E+00 -0.19495E-01 8004 0.242E+01 0.379E-01 RMM: 2 -0.327413752933E+03 -0.13339E-01 -0.95553E-02 5044 0.736E-01 0.104E+00 RMM: 3 -0.327406265695E+03 0.74872E-02 -0.10526E-02 5494 0.225E-01 0.291E-01 RMM: 4 -0.327406927808E+03 -0.66211E-03 -0.22475E-03 5191 0.118E-01 0.446E-01 RMM: 5 -0.327405786769E+03 0.11410E-02 -0.89440E-04 4612 0.806E-02 0.209E-01 RMM: 6 -0.327405532010E+03 0.25476E-03 -0.24152E-04 3894 0.405E-02 0.895E-02 RMM: 7 -0.327405594906E+03 -0.62896E-04 -0.13934E-04 3887 0.328E-02 0.133E-01 RMM: 8 -0.327405482409E+03 0.11250E-03 -0.65012E-05 3440 0.240E-02 0.380E-02 RMM: 9 -0.327405481437E+03 0.97215E-06 -0.13205E-05 2516 0.104E-02 2283 T= 6498. E= 0.68762887E+03 F= 0.63386990E+03 E0= 0.66264167E+03 EK= 0.53759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327323187093E+03 0.82295E-01 -0.19015E-01 7908 0.239E+01 0.380E-01 RMM: 2 -0.327335648858E+03 -0.12462E-01 -0.10241E-01 4976 0.757E-01 0.942E-01 RMM: 3 -0.327329593166E+03 0.60557E-02 -0.11614E-02 5502 0.233E-01 0.260E-01 RMM: 4 -0.327330564497E+03 -0.97133E-03 -0.20790E-03 5165 0.114E-01 0.484E-01 RMM: 5 -0.327329089986E+03 0.14745E-02 -0.91955E-04 4608 0.819E-02 0.173E-01 RMM: 6 -0.327328965749E+03 0.12424E-03 -0.26731E-04 3898 0.420E-02 0.111E-01 RMM: 7 -0.327328985857E+03 -0.20107E-04 -0.12269E-04 3875 0.323E-02 0.125E-01 RMM: 8 -0.327328886267E+03 0.99590E-04 -0.53599E-05 3348 0.217E-02 0.368E-02 RMM: 9 -0.327328890101E+03 -0.38339E-05 -0.16942E-05 2523 0.119E-02 2284 T= 6303. E= 0.68647238E+03 F= 0.63433313E+03 E0= 0.66311682E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327413121710E+03 -0.84235E-01 -0.18027E-01 7980 0.236E+01 0.364E-01 RMM: 2 -0.327423219098E+03 -0.10097E-01 -0.86562E-02 5148 0.693E-01 0.862E-01 RMM: 3 -0.327418236643E+03 0.49825E-02 -0.89193E-03 5539 0.202E-01 0.271E-01 RMM: 4 -0.327419012462E+03 -0.77582E-03 -0.18938E-03 4961 0.109E-01 0.456E-01 RMM: 5 -0.327417677559E+03 0.13349E-02 -0.91345E-04 4603 0.823E-02 0.156E-01 RMM: 6 -0.327417586396E+03 0.91163E-04 -0.22779E-04 3901 0.389E-02 0.112E-01 RMM: 7 -0.327417596498E+03 -0.10101E-04 -0.11833E-04 3880 0.313E-02 2285 T= 6173. E= 0.68570734E+03 F= 0.63463640E+03 E0= 0.66343621E+03 EK= 0.51071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327707803978E+03 -0.29022E+00 -0.17631E-01 7980 0.235E+01 0.421E-01 RMM: 2 -0.327718535536E+03 -0.10732E-01 -0.93782E-02 5024 0.730E-01 0.932E-01 RMM: 3 -0.327713063780E+03 0.54718E-02 -0.11012E-02 5436 0.232E-01 0.304E-01 RMM: 4 -0.327714362819E+03 -0.12990E-02 -0.24017E-03 5275 0.122E-01 0.553E-01 RMM: 5 -0.327712392780E+03 0.19700E-02 -0.10489E-03 4604 0.871E-02 0.167E-01 RMM: 6 -0.327712310026E+03 0.82754E-04 -0.29263E-04 3912 0.429E-02 0.135E-01 RMM: 7 -0.327712261174E+03 0.48852E-04 -0.13983E-04 3884 0.354E-02 0.106E-01 RMM: 8 -0.327712195890E+03 0.65283E-04 -0.42492E-05 3168 0.197E-02 0.423E-02 RMM: 9 -0.327712209113E+03 -0.13223E-04 -0.22110E-05 2579 0.132E-02 2286 T= 6156. E= 0.68566152E+03 F= 0.63473702E+03 E0= 0.66356002E+03 EK= 0.50924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328226709421E+03 -0.51451E+00 -0.17511E-01 8028 0.236E+01 0.351E-01 RMM: 2 -0.328238397792E+03 -0.11688E-01 -0.87868E-02 4996 0.706E-01 0.976E-01 RMM: 3 -0.328232166404E+03 0.62314E-02 -0.10245E-02 5475 0.220E-01 0.272E-01 RMM: 4 -0.328233097525E+03 -0.93112E-03 -0.18812E-03 5039 0.106E-01 0.469E-01 RMM: 5 -0.328231728595E+03 0.13689E-02 -0.71711E-04 4602 0.713E-02 0.164E-01 RMM: 6 -0.328231567768E+03 0.16083E-03 -0.20617E-04 3891 0.369E-02 0.704E-02 RMM: 7 -0.328231617087E+03 -0.49319E-04 -0.82005E-05 3607 0.254E-02 0.113E-01 RMM: 8 -0.328231536792E+03 0.80294E-04 -0.36434E-05 3066 0.188E-02 0.335E-02 RMM: 9 -0.328231532787E+03 0.40051E-05 -0.97348E-06 2475 0.865E-03 2287 T= 6257. E= 0.68637818E+03 F= 0.63461331E+03 E0= 0.66346483E+03 EK= 0.51765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328967569909E+03 -0.73603E+00 -0.17081E-01 8136 0.239E+01 0.418E-01 RMM: 2 -0.328977814711E+03 -0.10245E-01 -0.78270E-02 5184 0.675E-01 0.101E+00 RMM: 3 -0.328971373516E+03 0.64412E-02 -0.87599E-03 5414 0.209E-01 0.310E-01 RMM: 4 -0.328972580126E+03 -0.12066E-02 -0.24412E-03 5139 0.123E-01 0.538E-01 RMM: 5 -0.328970791956E+03 0.17882E-02 -0.10161E-03 4608 0.857E-02 0.206E-01 RMM: 6 -0.328970547053E+03 0.24490E-03 -0.26918E-04 3926 0.423E-02 0.934E-02 RMM: 7 -0.328970625889E+03 -0.78837E-04 -0.14223E-04 3882 0.326E-02 0.146E-01 RMM: 8 -0.328970489221E+03 0.13667E-03 -0.68702E-05 3488 0.243E-02 0.421E-02 RMM: 9 -0.328970487908E+03 0.13127E-05 -0.18688E-05 2559 0.122E-02 2288 T= 6447. E= 0.68760588E+03 F= 0.63426785E+03 E0= 0.66315288E+03 EK= 0.53338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329899959588E+03 -0.92947E+00 -0.17288E-01 8088 0.243E+01 0.405E-01 RMM: 2 -0.329912315608E+03 -0.12356E-01 -0.78376E-02 5190 0.675E-01 0.113E+00 RMM: 3 -0.329903810008E+03 0.85056E-02 -0.90503E-03 5403 0.214E-01 0.257E-01 RMM: 4 -0.329905155273E+03 -0.13453E-02 -0.22558E-03 5136 0.117E-01 0.530E-01 RMM: 5 -0.329903331989E+03 0.18233E-02 -0.91549E-04 4608 0.811E-02 0.150E-01 RMM: 6 -0.329903231323E+03 0.10067E-03 -0.19590E-04 3882 0.353E-02 0.949E-02 RMM: 7 -0.329903269121E+03 -0.37798E-04 -0.90012E-05 3684 0.263E-02 0.125E-01 RMM: 8 -0.329903172162E+03 0.96959E-04 -0.47708E-05 3272 0.204E-02 0.305E-02 RMM: 9 -0.329903181395E+03 -0.92330E-05 -0.15607E-05 2524 0.110E-02 2289 T= 6661. E= 0.68883081E+03 F= 0.63372561E+03 E0= 0.66264799E+03 EK= 0.55105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330984463382E+03 -0.10813E+01 -0.17324E-01 8052 0.247E+01 0.409E-01 RMM: 2 -0.330996473575E+03 -0.12010E-01 -0.77656E-02 5179 0.684E-01 0.112E+00 RMM: 3 -0.330988195286E+03 0.82783E-02 -0.87637E-03 5394 0.214E-01 0.295E-01 RMM: 4 -0.330989446511E+03 -0.12512E-02 -0.25181E-03 5218 0.124E-01 0.536E-01 RMM: 5 -0.330987739443E+03 0.17071E-02 -0.95228E-04 4607 0.834E-02 0.207E-01 RMM: 6 -0.330987470195E+03 0.26925E-03 -0.23330E-04 3888 0.393E-02 0.736E-02 RMM: 7 -0.330987536498E+03 -0.66304E-04 -0.10450E-04 3794 0.281E-02 0.128E-01 RMM: 8 -0.330987430980E+03 0.10552E-03 -0.51085E-05 3304 0.213E-02 0.297E-02 RMM: 9 -0.330987438433E+03 -0.74534E-05 -0.16206E-05 2529 0.114E-02 2290 T= 6815. E= 0.68941168E+03 F= 0.63302995E+03 E0= 0.66199189E+03 EK= 0.56382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332169669752E+03 -0.11822E+01 -0.17193E-01 8184 0.249E+01 0.400E-01 RMM: 2 -0.332179831851E+03 -0.10162E-01 -0.70949E-02 5183 0.647E-01 0.102E+00 RMM: 3 -0.332173034993E+03 0.67969E-02 -0.79272E-03 5389 0.201E-01 0.284E-01 RMM: 4 -0.332174389750E+03 -0.13548E-02 -0.23398E-03 5164 0.122E-01 0.539E-01 RMM: 5 -0.332172481678E+03 0.19081E-02 -0.93751E-04 4609 0.820E-02 0.150E-01 RMM: 6 -0.332172390739E+03 0.90939E-04 -0.22197E-04 3888 0.382E-02 0.104E-01 RMM: 7 -0.332172413475E+03 -0.22736E-04 -0.88689E-05 3660 0.268E-02 0.123E-01 RMM: 8 -0.332172318251E+03 0.95224E-04 -0.46993E-05 3252 0.204E-02 0.326E-02 RMM: 9 -0.332172325391E+03 -0.71406E-05 -0.15043E-05 2516 0.109E-02 2291 T= 6843. E= 0.68884899E+03 F= 0.63223486E+03 E0= 0.66123561E+03 EK= 0.56614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333405945691E+03 -0.12336E+01 -0.17506E-01 8208 0.248E+01 0.398E-01 RMM: 2 -0.333415898929E+03 -0.99532E-02 -0.72183E-02 5098 0.660E-01 0.996E-01 RMM: 3 -0.333409402722E+03 0.64962E-02 -0.82001E-03 5412 0.204E-01 0.283E-01 RMM: 4 -0.333410760548E+03 -0.13578E-02 -0.23563E-03 5134 0.121E-01 0.546E-01 RMM: 5 -0.333408946943E+03 0.18136E-02 -0.98445E-04 4608 0.850E-02 0.192E-01 RMM: 6 -0.333408737102E+03 0.20984E-03 -0.25308E-04 3901 0.410E-02 0.874E-02 RMM: 7 -0.333408798549E+03 -0.61447E-04 -0.10644E-04 3755 0.291E-02 0.132E-01 RMM: 8 -0.333408686797E+03 0.11175E-03 -0.51206E-05 3311 0.217E-02 0.303E-02 RMM: 9 -0.333408696999E+03 -0.10202E-04 -0.16190E-05 2532 0.113E-02 2292 T= 6729. E= 0.68706194E+03 F= 0.63139355E+03 E0= 0.66043060E+03 EK= 0.55668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334653596038E+03 -0.12449E+01 -0.17573E-01 8136 0.245E+01 0.395E-01 RMM: 2 -0.334663741461E+03 -0.10145E-01 -0.73710E-02 5030 0.659E-01 0.991E-01 RMM: 3 -0.334657323459E+03 0.64180E-02 -0.85000E-03 5372 0.208E-01 0.280E-01 RMM: 4 -0.334658616305E+03 -0.12928E-02 -0.24915E-03 5226 0.126E-01 0.534E-01 RMM: 5 -0.334656817041E+03 0.17993E-02 -0.10530E-03 4605 0.876E-02 0.170E-01 RMM: 6 -0.334656691929E+03 0.12511E-03 -0.25611E-04 3895 0.414E-02 0.112E-01 RMM: 7 -0.334656711277E+03 -0.19347E-04 -0.11002E-04 3828 0.307E-02 2293 T= 6516. E= 0.68445369E+03 F= 0.63054956E+03 E0= 0.65961713E+03 EK= 0.53904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335885300155E+03 -0.12286E+01 -0.17470E-01 8004 0.241E+01 0.426E-01 RMM: 2 -0.335895237891E+03 -0.99377E-02 -0.75211E-02 5054 0.663E-01 0.989E-01 RMM: 3 -0.335888963322E+03 0.62746E-02 -0.87374E-03 5418 0.209E-01 0.326E-01 RMM: 4 -0.335890386382E+03 -0.14231E-02 -0.27895E-03 5279 0.134E-01 0.579E-01 RMM: 5 -0.335888258138E+03 0.21282E-02 -0.13185E-03 4610 0.985E-02 0.181E-01 RMM: 6 -0.335888144447E+03 0.11369E-03 -0.29833E-04 3909 0.445E-02 0.135E-01 RMM: 7 -0.335888122346E+03 0.22101E-04 -0.14897E-04 3882 0.364E-02 0.127E-01 RMM: 8 -0.335888023423E+03 0.98923E-04 -0.65203E-05 3453 0.239E-02 0.402E-02 RMM: 9 -0.335888054496E+03 -0.31073E-04 -0.24292E-05 2638 0.142E-02 0.742E-02 RMM: 10 -0.335888031801E+03 0.22696E-04 -0.17881E-05 2536 0.136E-02 0.271E-02 RMM: 11 -0.335888028847E+03 0.29536E-05 -0.50951E-06 2435 0.690E-03 2294 T= 6282. E= 0.68170213E+03 F= 0.62973337E+03 E0= 0.65882506E+03 EK= 0.51969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337078826361E+03 -0.11908E+01 -0.17018E-01 8064 0.237E+01 0.363E-01 RMM: 2 -0.337087408311E+03 -0.85820E-02 -0.77839E-02 4952 0.663E-01 0.812E-01 RMM: 3 -0.337083251523E+03 0.41568E-02 -0.87922E-03 5416 0.205E-01 0.302E-01 RMM: 4 -0.337084235019E+03 -0.98350E-03 -0.20724E-03 5140 0.115E-01 0.498E-01 RMM: 5 -0.337082667388E+03 0.15676E-02 -0.95877E-04 4600 0.832E-02 0.175E-01 RMM: 6 -0.337082503492E+03 0.16390E-03 -0.28609E-04 3908 0.442E-02 0.906E-02 RMM: 7 -0.337082511835E+03 -0.83438E-05 -0.79831E-05 3670 0.280E-02 2295 T= 6104. E= 0.67945772E+03 F= 0.62896483E+03 E0= 0.65807471E+03 EK= 0.50493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338217693150E+03 -0.11352E+01 -0.16340E-01 8028 0.234E+01 0.435E-01 RMM: 2 -0.338223292539E+03 -0.55994E-02 -0.65709E-02 5129 0.603E-01 0.712E-01 RMM: 3 -0.338220619782E+03 0.26728E-02 -0.73424E-03 5417 0.191E-01 0.384E-01 RMM: 4 -0.338222039917E+03 -0.14201E-02 -0.24013E-03 5166 0.125E-01 0.616E-01 RMM: 5 -0.338219494565E+03 0.25454E-02 -0.13088E-03 4608 0.971E-02 0.124E-01 RMM: 6 -0.338219564779E+03 -0.70214E-04 -0.32767E-04 3978 0.471E-02 0.168E-01 RMM: 7 -0.338219447406E+03 0.11737E-03 -0.13008E-04 3877 0.349E-02 0.110E-01 RMM: 8 -0.338219374729E+03 0.72677E-04 -0.44801E-05 3198 0.196E-02 0.406E-02 RMM: 9 -0.338219408876E+03 -0.34147E-04 -0.31691E-05 2884 0.161E-02 0.750E-02 RMM: 10 -0.338219380530E+03 0.28346E-04 -0.19524E-05 2558 0.144E-02 0.200E-02 RMM: 11 -0.338219379651E+03 0.87917E-06 -0.37871E-06 2434 0.553E-03 2296 T= 6030. E= 0.67815014E+03 F= 0.62826203E+03 E0= 0.65738408E+03 EK= 0.49888E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339267872733E+03 -0.10485E+01 -0.16809E-01 8196 0.234E+01 0.360E-01 RMM: 2 -0.339274580942E+03 -0.67082E-02 -0.79425E-02 4998 0.643E-01 0.582E-01 RMM: 3 -0.339272725712E+03 0.18552E-02 -0.84600E-03 5490 0.191E-01 0.350E-01 RMM: 4 -0.339273340941E+03 -0.61523E-03 -0.18562E-03 5018 0.111E-01 0.483E-01 RMM: 5 -0.339271842227E+03 0.14987E-02 -0.79043E-04 4608 0.743E-02 0.135E-01 RMM: 6 -0.339271776858E+03 0.65369E-04 -0.22074E-04 3882 0.382E-02 0.994E-02 RMM: 7 -0.339271756090E+03 0.20768E-04 -0.69113E-05 3562 0.261E-02 0.875E-02 RMM: 8 -0.339271707060E+03 0.49031E-04 -0.21294E-05 2653 0.145E-02 0.230E-02 RMM: 9 -0.339271718389E+03 -0.11329E-04 -0.12833E-05 2489 0.997E-03 2297 T= 6078. E= 0.67793279E+03 F= 0.62764758E+03 E0= 0.65677739E+03 EK= 0.50285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340202373700E+03 -0.93067E+00 -0.16849E-01 8508 0.235E+01 0.406E-01 RMM: 2 -0.340208121549E+03 -0.57478E-02 -0.70176E-02 5212 0.591E-01 0.634E-01 RMM: 3 -0.340205956657E+03 0.21649E-02 -0.67489E-03 5439 0.177E-01 0.382E-01 RMM: 4 -0.340206782426E+03 -0.82577E-03 -0.19942E-03 4920 0.113E-01 0.538E-01 RMM: 5 -0.340204836014E+03 0.19464E-02 -0.10474E-03 4604 0.861E-02 0.105E-01 RMM: 6 -0.340204876931E+03 -0.40917E-04 -0.23291E-04 3888 0.391E-02 0.138E-01 RMM: 7 -0.340204797417E+03 0.79514E-04 -0.81927E-05 3664 0.281E-02 0.907E-02 RMM: 8 -0.340204747595E+03 0.49822E-04 -0.29628E-05 2921 0.161E-02 0.325E-02 RMM: 9 -0.340204770791E+03 -0.23195E-04 -0.20837E-05 2573 0.130E-02 0.622E-02 RMM: 10 -0.340204751319E+03 0.19472E-04 -0.14669E-05 2511 0.125E-02 2298 T= 6229. E= 0.67868612E+03 F= 0.62715171E+03 E0= 0.65628542E+03 EK= 0.51534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340974662367E+03 -0.76989E+00 -0.17428E-01 8472 0.238E+01 0.394E-01 RMM: 2 -0.340980371229E+03 -0.57089E-02 -0.73990E-02 5296 0.600E-01 0.574E-01 RMM: 3 -0.340978637743E+03 0.17335E-02 -0.70617E-03 5404 0.184E-01 0.394E-01 RMM: 4 -0.340979241593E+03 -0.60385E-03 -0.17584E-03 4809 0.105E-01 0.513E-01 RMM: 5 -0.340977463546E+03 0.17780E-02 -0.88220E-04 4608 0.784E-02 0.949E-02 RMM: 6 -0.340977519806E+03 -0.56260E-04 -0.20255E-04 3882 0.361E-02 0.137E-01 RMM: 7 -0.340977424181E+03 0.95625E-04 -0.73041E-05 3532 0.261E-02 0.751E-02 RMM: 8 -0.340977393215E+03 0.30966E-04 -0.24219E-05 2752 0.148E-02 0.314E-02 RMM: 9 -0.340977411974E+03 -0.18759E-04 -0.17417E-05 2527 0.118E-02 2299 T= 6434. E= 0.68003955E+03 F= 0.62681216E+03 E0= 0.65594664E+03 EK= 0.53227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341550112221E+03 -0.57272E+00 -0.18389E-01 8700 0.241E+01 0.404E-01 RMM: 2 -0.341557435047E+03 -0.73228E-02 -0.78261E-02 5335 0.616E-01 0.720E-01 RMM: 3 -0.341554167119E+03 0.32679E-02 -0.69775E-03 5441 0.182E-01 0.365E-01 RMM: 4 -0.341555238364E+03 -0.10712E-02 -0.21586E-03 4934 0.116E-01 0.552E-01 RMM: 5 -0.341553207916E+03 0.20304E-02 -0.10690E-03 4603 0.870E-02 0.131E-01 RMM: 6 -0.341553160540E+03 0.47376E-04 -0.23492E-04 3883 0.392E-02 0.110E-01 RMM: 7 -0.341553136861E+03 0.23679E-04 -0.65957E-05 3492 0.249E-02 0.978E-02 RMM: 8 -0.341553077346E+03 0.59515E-04 -0.27112E-05 2837 0.159E-02 0.304E-02 RMM: 9 -0.341553096404E+03 -0.19058E-04 -0.19937E-05 2557 0.125E-02 2300 T= 6621. E= 0.68143849E+03 F= 0.62666433E+03 E0= 0.65579689E+03 EK= 0.54774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341909109438E+03 -0.35603E+00 -0.18900E-01 8532 0.243E+01 0.385E-01 RMM: 2 -0.341916166600E+03 -0.70572E-02 -0.85420E-02 5376 0.623E-01 0.568E-01 RMM: 3 -0.341914094096E+03 0.20725E-02 -0.67345E-03 5436 0.177E-01 0.395E-01 RMM: 4 -0.341914737796E+03 -0.64370E-03 -0.19103E-03 4835 0.110E-01 0.518E-01 RMM: 5 -0.341912936676E+03 0.18011E-02 -0.10216E-03 4608 0.846E-02 0.103E-01 RMM: 6 -0.341912973704E+03 -0.37028E-04 -0.18862E-04 3872 0.344E-02 0.133E-01 RMM: 7 -0.341912890918E+03 0.82787E-04 -0.72971E-05 3586 0.258E-02 0.792E-02 RMM: 8 -0.341912854697E+03 0.36220E-04 -0.27589E-05 2889 0.159E-02 0.308E-02 RMM: 9 -0.341912874071E+03 -0.19374E-04 -0.17087E-05 2528 0.118E-02 2301 T= 6720. E= 0.68231941E+03 F= 0.62672827E+03 E0= 0.65585611E+03 EK= 0.55591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342061044678E+03 -0.14819E+00 -0.19466E-01 8472 0.243E+01 0.387E-01 RMM: 2 -0.342070052122E+03 -0.90074E-02 -0.96850E-02 5275 0.677E-01 0.676E-01 RMM: 3 -0.342066801194E+03 0.32509E-02 -0.85013E-03 5611 0.193E-01 0.336E-01 RMM: 4 -0.342067791029E+03 -0.98983E-03 -0.20305E-03 4947 0.113E-01 0.533E-01 RMM: 5 -0.342065916387E+03 0.18746E-02 -0.10536E-03 4611 0.867E-02 0.125E-01 RMM: 6 -0.342065915314E+03 0.10727E-05 -0.24796E-04 3892 0.400E-02 0.130E-01 RMM: 7 -0.342065845681E+03 0.69633E-04 -0.81703E-05 3681 0.282E-02 0.867E-02 RMM: 8 -0.342065800330E+03 0.45351E-04 -0.24331E-05 2759 0.149E-02 0.313E-02 RMM: 9 -0.342065818795E+03 -0.18465E-04 -0.18292E-05 2542 0.120E-02 2302 T= 6692. E= 0.68235991E+03 F= 0.62699757E+03 E0= 0.65611723E+03 EK= 0.55362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342042716152E+03 0.23084E-01 -0.20135E-01 8520 0.241E+01 0.370E-01 RMM: 2 -0.342052761751E+03 -0.10046E-01 -0.11063E-01 5101 0.730E-01 0.592E-01 RMM: 3 -0.342050091806E+03 0.26699E-02 -0.99296E-03 5590 0.206E-01 0.349E-01 RMM: 4 -0.342050703844E+03 -0.61204E-03 -0.20786E-03 5111 0.117E-01 0.491E-01 RMM: 5 -0.342049117447E+03 0.15864E-02 -0.10119E-03 4606 0.849E-02 0.121E-01 RMM: 6 -0.342049157445E+03 -0.39999E-04 -0.22852E-04 3875 0.380E-02 0.149E-01 RMM: 7 -0.342049046943E+03 0.11050E-03 -0.10058E-04 3779 0.309E-02 0.816E-02 RMM: 8 -0.342049008945E+03 0.37998E-04 -0.29349E-05 2952 0.164E-02 0.320E-02 RMM: 9 -0.342049029496E+03 -0.20551E-04 -0.17785E-05 2536 0.120E-02 0.577E-02 RMM: 10 -0.342049014032E+03 0.15465E-04 -0.11830E-05 2484 0.111E-02 2303 T= 6553. E= 0.68164537E+03 F= 0.62743822E+03 E0= 0.65654619E+03 EK= 0.54207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341916828108E+03 0.13220E+00 -0.19805E-01 8316 0.238E+01 0.364E-01 RMM: 2 -0.341927087301E+03 -0.10259E-01 -0.11614E-01 5096 0.748E-01 0.561E-01 RMM: 3 -0.341924769860E+03 0.23174E-02 -0.10958E-02 5713 0.207E-01 0.333E-01 RMM: 4 -0.341925361359E+03 -0.59150E-03 -0.18756E-03 5015 0.111E-01 0.493E-01 RMM: 5 -0.341923748235E+03 0.16131E-02 -0.10089E-03 4605 0.844E-02 0.102E-01 RMM: 6 -0.341923926030E+03 -0.17780E-03 -0.26261E-04 3895 0.412E-02 0.194E-01 RMM: 7 -0.341923696960E+03 0.22907E-03 -0.11044E-04 3837 0.328E-02 0.692E-02 RMM: 8 -0.341923671794E+03 0.25167E-04 -0.24327E-05 2782 0.145E-02 0.350E-02 RMM: 9 -0.341923688619E+03 -0.16826E-04 -0.19271E-05 2533 0.127E-02 2304 T= 6360. E= 0.68060907E+03 F= 0.62799114E+03 E0= 0.65708356E+03 EK= 0.52618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341755893939E+03 0.16778E+00 -0.19231E-01 8460 0.235E+01 0.368E-01 RMM: 2 -0.341766484633E+03 -0.10591E-01 -0.11035E-01 5240 0.725E-01 0.672E-01 RMM: 3 -0.341763064577E+03 0.34201E-02 -0.99167E-03 5692 0.198E-01 0.309E-01 RMM: 4 -0.341763866812E+03 -0.80223E-03 -0.19770E-03 4968 0.114E-01 0.501E-01 RMM: 5 -0.341762248957E+03 0.16179E-02 -0.10352E-03 4606 0.866E-02 0.146E-01 RMM: 6 -0.341762249139E+03 -0.18214E-06 -0.34475E-04 3955 0.476E-02 0.151E-01 RMM: 7 -0.341762145701E+03 0.10344E-03 -0.13121E-04 3868 0.357E-02 0.906E-02 RMM: 8 -0.341762097140E+03 0.48561E-04 -0.25048E-05 2800 0.153E-02 0.329E-02 RMM: 9 -0.341762116694E+03 -0.19553E-04 -0.20496E-05 2550 0.126E-02 2305 T= 6191. E= 0.67980376E+03 F= 0.62858433E+03 E0= 0.65765829E+03 EK= 0.51219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341630216397E+03 0.13188E+00 -0.19792E-01 8016 0.233E+01 0.364E-01 RMM: 2 -0.341644457510E+03 -0.14241E-01 -0.14123E-01 5119 0.819E-01 0.721E-01 RMM: 3 -0.341640371793E+03 0.40857E-02 -0.13293E-02 5820 0.214E-01 0.279E-01 RMM: 4 -0.341640964957E+03 -0.59316E-03 -0.21064E-03 5108 0.120E-01 0.474E-01 RMM: 5 -0.341639554257E+03 0.14107E-02 -0.95823E-04 4608 0.828E-02 0.145E-01 RMM: 6 -0.341639619168E+03 -0.64910E-04 -0.32303E-04 3947 0.459E-02 0.178E-01 RMM: 7 -0.341639474683E+03 0.14448E-03 -0.14510E-04 3876 0.372E-02 0.104E-01 RMM: 8 -0.341639407064E+03 0.67619E-04 -0.42119E-05 3179 0.191E-02 0.330E-02 RMM: 9 -0.341639425368E+03 -0.18305E-04 -0.19454E-05 2547 0.124E-02 2306 T= 6108. E= 0.67967226E+03 F= 0.62914088E+03 E0= 0.65819431E+03 EK= 0.50531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341626095920E+03 0.13311E-01 -0.18250E-01 8148 0.233E+01 0.378E-01 RMM: 2 -0.341639442551E+03 -0.13347E-01 -0.11404E-01 5209 0.749E-01 0.901E-01 RMM: 3 -0.341633540208E+03 0.59023E-02 -0.11004E-02 5611 0.212E-01 0.288E-01 RMM: 4 -0.341634448205E+03 -0.90800E-03 -0.21591E-03 5052 0.117E-01 0.500E-01 RMM: 5 -0.341632834683E+03 0.16135E-02 -0.10651E-03 4608 0.885E-02 0.161E-01 RMM: 6 -0.341632803300E+03 0.31383E-04 -0.37135E-04 4013 0.495E-02 0.152E-01 RMM: 7 -0.341632754512E+03 0.48788E-04 -0.14231E-04 3879 0.361E-02 0.127E-01 RMM: 8 -0.341632651878E+03 0.10263E-03 -0.42537E-05 3182 0.195E-02 0.342E-02 RMM: 9 -0.341632665692E+03 -0.13814E-04 -0.19613E-05 2556 0.123E-02 2307 T= 6145. E= 0.68042026E+03 F= 0.62958047E+03 E0= 0.65861303E+03 EK= 0.50840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341810534696E+03 -0.17788E+00 -0.17753E-01 8040 0.235E+01 0.393E-01 RMM: 2 -0.341826052012E+03 -0.15517E-01 -0.11345E-01 5093 0.764E-01 0.108E+00 RMM: 3 -0.341817747518E+03 0.83045E-02 -0.11748E-02 5589 0.226E-01 0.272E-01 RMM: 4 -0.341818710268E+03 -0.96275E-03 -0.24001E-03 5172 0.121E-01 0.499E-01 RMM: 5 -0.341817224332E+03 0.14859E-02 -0.10199E-03 4610 0.866E-02 0.199E-01 RMM: 6 -0.341817046329E+03 0.17800E-03 -0.31646E-04 3945 0.459E-02 0.123E-01 RMM: 7 -0.341817077038E+03 -0.30710E-04 -0.15331E-04 3877 0.362E-02 0.141E-01 RMM: 8 -0.341816948044E+03 0.12899E-03 -0.67552E-05 3477 0.243E-02 0.327E-02 RMM: 9 -0.341816960860E+03 -0.12816E-04 -0.18037E-05 2550 0.119E-02 2308 T= 6303. E= 0.68196765E+03 F= 0.62982450E+03 E0= 0.65883721E+03 EK= 0.52143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342253420765E+03 -0.43647E+00 -0.17489E-01 7920 0.238E+01 0.401E-01 RMM: 2 -0.342267678148E+03 -0.14257E-01 -0.97935E-02 5164 0.723E-01 0.111E+00 RMM: 3 -0.342259168948E+03 0.85092E-02 -0.10711E-02 5484 0.221E-01 0.299E-01 RMM: 4 -0.342260147984E+03 -0.97904E-03 -0.23964E-03 5138 0.120E-01 0.504E-01 RMM: 5 -0.342258561542E+03 0.15864E-02 -0.10409E-03 4609 0.877E-02 0.185E-01 RMM: 6 -0.342258399648E+03 0.16189E-03 -0.30724E-04 3928 0.457E-02 0.110E-01 RMM: 7 -0.342258465269E+03 -0.65621E-04 -0.12759E-04 3880 0.324E-02 0.148E-01 RMM: 8 -0.342258323136E+03 0.14213E-03 -0.57973E-05 3405 0.226E-02 0.357E-02 RMM: 9 -0.342258328339E+03 -0.52027E-05 -0.16516E-05 2534 0.114E-02 2309 T= 6542. E= 0.68392425E+03 F= 0.62980466E+03 E0= 0.65880078E+03 EK= 0.54120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342984171109E+03 -0.72585E+00 -0.17283E-01 7776 0.242E+01 0.403E-01 RMM: 2 -0.342996709938E+03 -0.12539E-01 -0.77781E-02 5105 0.666E-01 0.113E+00 RMM: 3 -0.342988087102E+03 0.86228E-02 -0.89489E-03 5407 0.211E-01 0.280E-01 RMM: 4 -0.342989348478E+03 -0.12614E-02 -0.25053E-03 5218 0.123E-01 0.531E-01 RMM: 5 -0.342987668169E+03 0.16803E-02 -0.97827E-04 4598 0.849E-02 0.205E-01 RMM: 6 -0.342987421372E+03 0.24680E-03 -0.26846E-04 3909 0.426E-02 0.891E-02 RMM: 7 -0.342987479045E+03 -0.57673E-04 -0.12559E-04 3871 0.317E-02 0.129E-01 RMM: 8 -0.342987369645E+03 0.10940E-03 -0.58725E-05 3409 0.229E-02 0.295E-02 RMM: 9 -0.342987379320E+03 -0.96758E-05 -0.15918E-05 2533 0.113E-02 2310 T= 6785. E= 0.68562204E+03 F= 0.62949033E+03 E0= 0.65847446E+03 EK= 0.56132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343973370642E+03 -0.98600E+00 -0.17424E-01 7860 0.246E+01 0.402E-01 RMM: 2 -0.343983643392E+03 -0.10273E-01 -0.77199E-02 5155 0.657E-01 0.983E-01 RMM: 3 -0.343977234445E+03 0.64089E-02 -0.85252E-03 5401 0.205E-01 0.306E-01 RMM: 4 -0.343978546308E+03 -0.13119E-02 -0.24313E-03 5192 0.123E-01 0.546E-01 RMM: 5 -0.343976636729E+03 0.19096E-02 -0.10574E-03 4608 0.883E-02 0.168E-01 RMM: 6 -0.343976482426E+03 0.15430E-03 -0.21137E-04 3888 0.374E-02 0.865E-02 RMM: 7 -0.343976531374E+03 -0.48948E-04 -0.10395E-04 3800 0.282E-02 0.124E-01 RMM: 8 -0.343976433446E+03 0.97928E-04 -0.51545E-05 3316 0.218E-02 0.329E-02 RMM: 9 -0.343976439249E+03 -0.58035E-05 -0.14710E-05 2515 0.108E-02 2311 T= 6936. E= 0.68629320E+03 F= 0.62891179E+03 E0= 0.65789053E+03 EK= 0.57381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345141282448E+03 -0.11648E+01 -0.17481E-01 8388 0.247E+01 0.412E-01 RMM: 2 -0.345151136322E+03 -0.98539E-02 -0.88270E-02 5416 0.667E-01 0.887E-01 RMM: 3 -0.345145900682E+03 0.52356E-02 -0.79490E-03 5366 0.201E-01 0.341E-01 RMM: 4 -0.345147160396E+03 -0.12597E-02 -0.25061E-03 5171 0.123E-01 0.561E-01 RMM: 5 -0.345145166186E+03 0.19942E-02 -0.11095E-03 4612 0.898E-02 0.171E-01 RMM: 6 -0.345145015127E+03 0.15106E-03 -0.23595E-04 3901 0.397E-02 0.965E-02 RMM: 7 -0.345145070365E+03 -0.55238E-04 -0.10825E-04 3860 0.291E-02 0.133E-01 RMM: 8 -0.345144955632E+03 0.11473E-03 -0.54436E-05 3363 0.218E-02 0.329E-02 RMM: 9 -0.345144965262E+03 -0.96302E-05 -0.18348E-05 2549 0.121E-02 2312 T= 6923. E= 0.68542577E+03 F= 0.62815426E+03 E0= 0.65713470E+03 EK= 0.57272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346392782383E+03 -0.12478E+01 -0.18014E-01 8916 0.246E+01 0.436E-01 RMM: 2 -0.346408235782E+03 -0.15453E-01 -0.10087E-01 5630 0.693E-01 0.120E+00 RMM: 3 -0.346398115026E+03 0.10121E-01 -0.90255E-03 5373 0.216E-01 0.318E-01 RMM: 4 -0.346399486923E+03 -0.13719E-02 -0.29266E-03 5249 0.133E-01 0.563E-01 RMM: 5 -0.346397504324E+03 0.19826E-02 -0.11724E-03 4612 0.931E-02 0.185E-01 RMM: 6 -0.346397316822E+03 0.18750E-03 -0.22833E-04 3901 0.390E-02 0.941E-02 RMM: 7 -0.346397369465E+03 -0.52643E-04 -0.11936E-04 3882 0.298E-02 0.131E-01 RMM: 8 -0.346397262829E+03 0.10664E-03 -0.59655E-05 3406 0.229E-02 0.377E-02 RMM: 9 -0.346397270658E+03 -0.78293E-05 -0.18041E-05 2545 0.121E-02 2313 T= 6742. E= 0.68309092E+03 F= 0.62731878E+03 E0= 0.65630809E+03 EK= 0.55772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347659117766E+03 -0.12619E+01 -0.18918E-01 8928 0.241E+01 0.428E-01 RMM: 2 -0.347672083494E+03 -0.12966E-01 -0.11284E-01 5598 0.719E-01 0.966E-01 RMM: 3 -0.347665594134E+03 0.64894E-02 -0.91101E-03 5363 0.217E-01 0.349E-01 RMM: 4 -0.347666932507E+03 -0.13384E-02 -0.25894E-03 5251 0.124E-01 0.573E-01 RMM: 5 -0.347664876143E+03 0.20564E-02 -0.11308E-03 4610 0.905E-02 0.197E-01 RMM: 6 -0.347664677062E+03 0.19908E-03 -0.31439E-04 3937 0.458E-02 0.108E-01 RMM: 7 -0.347664725021E+03 -0.47959E-04 -0.12560E-04 3879 0.324E-02 0.136E-01 RMM: 8 -0.347664606995E+03 0.11803E-03 -0.55246E-05 3374 0.218E-02 0.391E-02 RMM: 9 -0.347664616528E+03 -0.95332E-05 -0.24012E-05 2703 0.141E-02 2314 T= 6462. E= 0.67993469E+03 F= 0.62647854E+03 E0= 0.65548243E+03 EK= 0.53456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348908682678E+03 -0.12441E+01 -0.19237E-01 9096 0.236E+01 0.423E-01 RMM: 2 -0.348923858309E+03 -0.15176E-01 -0.11410E-01 5589 0.701E-01 0.109E+00 RMM: 3 -0.348915098528E+03 0.87598E-02 -0.84542E-03 5388 0.205E-01 0.300E-01 RMM: 4 -0.348916502363E+03 -0.14038E-02 -0.28265E-03 5193 0.133E-01 0.564E-01 RMM: 5 -0.348914531745E+03 0.19706E-02 -0.12324E-03 4608 0.954E-02 0.181E-01 RMM: 6 -0.348914382142E+03 0.14960E-03 -0.25890E-04 3899 0.411E-02 0.113E-01 RMM: 7 -0.348914370276E+03 0.11866E-04 -0.12460E-04 3885 0.330E-02 2315 T= 6185. E= 0.67683357E+03 F= 0.62566813E+03 E0= 0.65469056E+03 EK= 0.51165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350129790353E+03 -0.12154E+01 -0.19537E-01 9144 0.231E+01 0.455E-01 RMM: 2 -0.350141706259E+03 -0.11916E-01 -0.11813E-01 5632 0.689E-01 0.852E-01 RMM: 3 -0.350136316554E+03 0.53897E-02 -0.82215E-03 5373 0.204E-01 0.397E-01 RMM: 4 -0.350137876438E+03 -0.15599E-02 -0.29688E-03 5121 0.137E-01 0.635E-01 RMM: 5 -0.350135315253E+03 0.25612E-02 -0.14536E-03 4612 0.102E-01 0.187E-01 RMM: 6 -0.350135215811E+03 0.99442E-04 -0.37655E-04 4060 0.493E-02 0.152E-01 RMM: 7 -0.350135171198E+03 0.44613E-04 -0.17055E-04 3881 0.396E-02 0.126E-01 RMM: 8 -0.350135077606E+03 0.93593E-04 -0.55957E-05 3365 0.222E-02 0.469E-02 RMM: 9 -0.350135102590E+03 -0.24984E-04 -0.36017E-05 2971 0.167E-02 0.693E-02 RMM: 10 -0.350135085615E+03 0.16975E-04 -0.24687E-05 2669 0.162E-02 2316 T= 5998. E= 0.67451908E+03 F= 0.62489774E+03 E0= 0.65394015E+03 EK= 0.49621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351304091925E+03 -0.11690E+01 -0.20284E-01 9036 0.228E+01 0.377E-01 RMM: 2 -0.351317151389E+03 -0.13059E-01 -0.12601E-01 5566 0.696E-01 0.783E-01 RMM: 3 -0.351311895365E+03 0.52560E-02 -0.79940E-03 5431 0.191E-01 0.330E-01 RMM: 4 -0.351312897724E+03 -0.10024E-02 -0.24115E-03 5016 0.123E-01 0.519E-01 RMM: 5 -0.351311163386E+03 0.17343E-02 -0.11148E-03 4608 0.900E-02 0.150E-01 RMM: 6 -0.351311068307E+03 0.95078E-04 -0.23835E-04 3901 0.396E-02 0.101E-01 RMM: 7 -0.351311085219E+03 -0.16912E-04 -0.93197E-05 3771 0.278E-02 2317 T= 5951. E= 0.67340578E+03 F= 0.62417885E+03 E0= 0.65324068E+03 EK= 0.49227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352401491858E+03 -0.10904E+01 -0.21641E-01 8964 0.229E+01 0.472E-01 RMM: 2 -0.352412741362E+03 -0.11250E-01 -0.13105E-01 5775 0.698E-01 0.692E-01 RMM: 3 -0.352409079046E+03 0.36623E-02 -0.87078E-03 5346 0.212E-01 0.464E-01 RMM: 4 -0.352409690383E+03 -0.61134E-03 -0.24202E-03 5149 0.123E-01 0.574E-01 RMM: 5 -0.352407548604E+03 0.21418E-02 -0.10462E-03 4604 0.853E-02 0.130E-01 RMM: 6 -0.352407635602E+03 -0.86998E-04 -0.30120E-04 3911 0.436E-02 0.179E-01 RMM: 7 -0.352407473781E+03 0.16182E-03 -0.13717E-04 3881 0.350E-02 0.929E-02 RMM: 8 -0.352407433268E+03 0.40513E-04 -0.49633E-05 3281 0.202E-02 0.503E-02 RMM: 9 -0.352407459730E+03 -0.26462E-04 -0.28726E-05 2796 0.151E-02 0.740E-02 RMM: 10 -0.352407431983E+03 0.27747E-04 -0.22551E-05 2628 0.156E-02 0.207E-02 RMM: 11 -0.352407431569E+03 0.41399E-06 -0.44090E-06 2437 0.627E-03 2318 T= 6049. E= 0.67357853E+03 F= 0.62354059E+03 E0= 0.65261948E+03 EK= 0.50038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353359227865E+03 -0.95180E+00 -0.24126E-01 8988 0.231E+01 0.401E-01 RMM: 2 -0.353374526830E+03 -0.15299E-01 -0.15024E-01 5665 0.748E-01 0.792E-01 RMM: 3 -0.353369016399E+03 0.55104E-02 -0.84885E-03 5406 0.199E-01 0.349E-01 RMM: 4 -0.353369947560E+03 -0.93116E-03 -0.24551E-03 5065 0.122E-01 0.520E-01 RMM: 5 -0.353368192245E+03 0.17553E-02 -0.10962E-03 4613 0.889E-02 0.151E-01 RMM: 6 -0.353368074913E+03 0.11733E-03 -0.22386E-04 3910 0.385E-02 0.862E-02 RMM: 7 -0.353368110046E+03 -0.35133E-04 -0.70121E-05 3521 0.241E-02 0.116E-01 RMM: 8 -0.353368024265E+03 0.85781E-04 -0.37650E-05 3100 0.187E-02 0.283E-02 RMM: 9 -0.353368031738E+03 -0.74723E-05 -0.15500E-05 2503 0.110E-02 2319 T= 6259. E= 0.67481103E+03 F= 0.62303364E+03 E0= 0.65212431E+03 EK= 0.51777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354108037758E+03 -0.74001E+00 -0.26523E-01 9048 0.236E+01 0.449E-01 RMM: 2 -0.354124016503E+03 -0.15979E-01 -0.15733E-01 5782 0.761E-01 0.847E-01 RMM: 3 -0.354118053807E+03 0.59627E-02 -0.88135E-03 5368 0.208E-01 0.387E-01 RMM: 4 -0.354119269761E+03 -0.12160E-02 -0.24502E-03 5116 0.121E-01 0.591E-01 RMM: 5 -0.354116965071E+03 0.23047E-02 -0.11186E-03 4610 0.889E-02 0.114E-01 RMM: 6 -0.354117006880E+03 -0.41809E-04 -0.21009E-04 3876 0.356E-02 0.145E-01 RMM: 7 -0.354116918688E+03 0.88193E-04 -0.91863E-05 3826 0.274E-02 0.944E-02 RMM: 8 -0.354116866044E+03 0.52643E-04 -0.44266E-05 3234 0.190E-02 0.349E-02 RMM: 9 -0.354116885363E+03 -0.19319E-04 -0.21951E-05 2612 0.137E-02 2320 T= 6510. E= 0.67658940E+03 F= 0.62273057E+03 E0= 0.65182587E+03 EK= 0.53859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354566384421E+03 -0.44952E+00 -0.29598E-01 9012 0.240E+01 0.432E-01 RMM: 2 -0.354584677038E+03 -0.18293E-01 -0.18051E-01 5530 0.842E-01 0.841E-01 RMM: 3 -0.354578692723E+03 0.59843E-02 -0.11021E-02 5443 0.225E-01 0.376E-01 RMM: 4 -0.354579847277E+03 -0.11546E-02 -0.26587E-03 5170 0.124E-01 0.578E-01 RMM: 5 -0.354577692225E+03 0.21551E-02 -0.12115E-03 4607 0.923E-02 0.138E-01 RMM: 6 -0.354577634916E+03 0.57309E-04 -0.21228E-04 3885 0.361E-02 0.112E-01 RMM: 7 -0.354577631575E+03 0.33414E-05 -0.90385E-05 3786 0.267E-02 2321 T= 6709. E= 0.67821144E+03 F= 0.62270726E+03 E0= 0.65179937E+03 EK= 0.55504E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354686364793E+03 -0.10873E+00 -0.30740E-01 8952 0.242E+01 0.445E-01 RMM: 2 -0.354703293443E+03 -0.16929E-01 -0.17659E-01 5767 0.818E-01 0.746E-01 RMM: 3 -0.354698569535E+03 0.47239E-02 -0.94413E-03 5387 0.212E-01 0.416E-01 RMM: 4 -0.354699771249E+03 -0.12017E-02 -0.25751E-03 5162 0.122E-01 0.614E-01 RMM: 5 -0.354697269898E+03 0.25014E-02 -0.13406E-03 4613 0.971E-02 0.104E-01 RMM: 6 -0.354697407087E+03 -0.13719E-03 -0.26533E-04 3891 0.409E-02 0.181E-01 RMM: 7 -0.354697247194E+03 0.15989E-03 -0.11220E-04 3872 0.304E-02 0.101E-01 RMM: 8 -0.354697189394E+03 0.57800E-04 -0.51640E-05 3331 0.200E-02 0.400E-02 RMM: 9 -0.354697214379E+03 -0.24985E-04 -0.24633E-05 2687 0.145E-02 0.654E-02 RMM: 10 -0.354697192953E+03 0.21426E-04 -0.15475E-05 2523 0.130E-02 0.206E-02 RMM: 11 -0.354697191945E+03 0.10082E-05 -0.35507E-06 2433 0.563E-03 2322 T= 6773. E= 0.67905124E+03 F= 0.62301894E+03 E0= 0.65209861E+03 EK= 0.56032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354456130520E+03 0.24106E+00 -0.30975E-01 8952 0.241E+01 0.388E-01 RMM: 2 -0.354473743791E+03 -0.17613E-01 -0.17903E-01 5650 0.841E-01 0.725E-01 RMM: 3 -0.354469000590E+03 0.47432E-02 -0.99402E-03 5447 0.214E-01 0.354E-01 RMM: 4 -0.354469820034E+03 -0.81944E-03 -0.22393E-03 5108 0.116E-01 0.519E-01 RMM: 5 -0.354468055463E+03 0.17646E-02 -0.10711E-03 4610 0.877E-02 0.124E-01 RMM: 6 -0.354468031979E+03 0.23484E-04 -0.24120E-04 3907 0.396E-02 0.115E-01 RMM: 7 -0.354467998444E+03 0.33535E-04 -0.76435E-05 3604 0.259E-02 0.967E-02 RMM: 8 -0.354467936982E+03 0.61462E-04 -0.28593E-05 2867 0.162E-02 0.254E-02 RMM: 9 -0.354467944440E+03 -0.74578E-05 -0.14448E-05 2489 0.106E-02 2323 T= 6674. E= 0.67888696E+03 F= 0.62367681E+03 E0= 0.65273692E+03 EK= 0.55210E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353927236158E+03 0.54070E+00 -0.29199E-01 8676 0.238E+01 0.396E-01 RMM: 2 -0.353941972865E+03 -0.14737E-01 -0.15880E-01 6038 0.783E-01 0.610E-01 RMM: 3 -0.353938476566E+03 0.34963E-02 -0.80549E-03 5416 0.195E-01 0.372E-01 RMM: 4 -0.353939007374E+03 -0.53081E-03 -0.20513E-03 4997 0.114E-01 0.503E-01 RMM: 5 -0.353937375434E+03 0.16319E-02 -0.99313E-04 4604 0.836E-02 0.992E-02 RMM: 6 -0.353937583039E+03 -0.20761E-03 -0.27731E-04 3887 0.424E-02 0.205E-01 RMM: 7 -0.353937337143E+03 0.24590E-03 -0.11846E-04 3860 0.331E-02 0.772E-02 RMM: 8 -0.353937307031E+03 0.30112E-04 -0.34588E-05 3029 0.168E-02 0.408E-02 RMM: 9 -0.353937327314E+03 -0.20282E-04 -0.22857E-05 2579 0.140E-02 0.597E-02 RMM: 10 -0.353937308940E+03 0.18373E-04 -0.14546E-05 2504 0.123E-02 2324 T= 6455. E= 0.67803489E+03 F= 0.62463678E+03 E0= 0.65367206E+03 EK= 0.53398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353186141611E+03 0.75119E+00 -0.28059E-01 8712 0.234E+01 0.365E-01 RMM: 2 -0.353201362805E+03 -0.15221E-01 -0.15867E-01 5656 0.812E-01 0.629E-01 RMM: 3 -0.353197520517E+03 0.38423E-02 -0.99830E-03 5451 0.215E-01 0.336E-01 RMM: 4 -0.353198089260E+03 -0.56874E-03 -0.21275E-03 5114 0.117E-01 0.477E-01 RMM: 5 -0.353196600964E+03 0.14883E-02 -0.10424E-03 4609 0.859E-02 0.112E-01 RMM: 6 -0.353196770662E+03 -0.16970E-03 -0.28810E-04 3901 0.437E-02 0.195E-01 RMM: 7 -0.353196550175E+03 0.22049E-03 -0.11520E-04 3849 0.329E-02 0.766E-02 RMM: 8 -0.353196518001E+03 0.32174E-04 -0.30760E-05 2927 0.162E-02 0.371E-02 RMM: 9 -0.353196536268E+03 -0.18267E-04 -0.20890E-05 2554 0.132E-02 2325 T= 6207. E= 0.67715737E+03 F= 0.62580906E+03 E0= 0.65481827E+03 EK= 0.51348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352353656000E+03 0.84286E+00 -0.24933E-01 8676 0.231E+01 0.366E-01 RMM: 2 -0.352366876230E+03 -0.13220E-01 -0.13797E-01 5686 0.758E-01 0.636E-01 RMM: 3 -0.352363137781E+03 0.37384E-02 -0.84170E-03 5418 0.201E-01 0.320E-01 RMM: 4 -0.352363839817E+03 -0.70204E-03 -0.19498E-03 5003 0.111E-01 0.481E-01 RMM: 5 -0.352362337499E+03 0.15023E-02 -0.10244E-03 4608 0.863E-02 0.137E-01 RMM: 6 -0.352362398594E+03 -0.61095E-04 -0.32841E-04 3964 0.468E-02 0.169E-01 RMM: 7 -0.352362260603E+03 0.13799E-03 -0.13212E-04 3866 0.355E-02 0.937E-02 RMM: 8 -0.352362206631E+03 0.53972E-04 -0.30650E-05 2897 0.167E-02 0.366E-02 RMM: 9 -0.352362226100E+03 -0.19469E-04 -0.22741E-05 2575 0.134E-02 2326 T= 6026. E= 0.67692454E+03 F= 0.62707589E+03 E0= 0.65606077E+03 EK= 0.49849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351551196301E+03 0.81101E+00 -0.22654E-01 8796 0.229E+01 0.356E-01 RMM: 2 -0.351565405482E+03 -0.14209E-01 -0.13374E-01 5437 0.775E-01 0.763E-01 RMM: 3 -0.351560603282E+03 0.48022E-02 -0.96540E-03 5456 0.211E-01 0.294E-01 RMM: 4 -0.351561345217E+03 -0.74193E-03 -0.21006E-03 5115 0.114E-01 0.467E-01 RMM: 5 -0.351559909373E+03 0.14358E-02 -0.10602E-03 4608 0.880E-02 0.130E-01 RMM: 6 -0.351559991875E+03 -0.82502E-04 -0.30548E-04 3923 0.450E-02 0.172E-01 RMM: 7 -0.351559860330E+03 0.13154E-03 -0.12822E-04 3862 0.348E-02 0.102E-01 RMM: 8 -0.351559795284E+03 0.65046E-04 -0.37534E-05 3104 0.181E-02 0.345E-02 RMM: 9 -0.351559812189E+03 -0.16904E-04 -0.21106E-05 2551 0.131E-02 2327 T= 5980. E= 0.67777907E+03 F= 0.62830823E+03 E0= 0.65727459E+03 EK= 0.49471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350899895223E+03 0.65990E+00 -0.20902E-01 8880 0.230E+01 0.371E-01 RMM: 2 -0.350914200695E+03 -0.14305E-01 -0.12802E-01 5251 0.793E-01 0.846E-01 RMM: 3 -0.350908682525E+03 0.55182E-02 -0.10936E-02 5489 0.225E-01 0.291E-01 RMM: 4 -0.350909494625E+03 -0.81210E-03 -0.20072E-03 5083 0.109E-01 0.476E-01 RMM: 5 -0.350908057647E+03 0.14370E-02 -0.95937E-04 4608 0.838E-02 0.159E-01 RMM: 6 -0.350907992580E+03 0.65068E-04 -0.27573E-04 3891 0.430E-02 0.129E-01 RMM: 7 -0.350907977658E+03 0.14922E-04 -0.11756E-04 3862 0.326E-02 2328 T= 6100. E= 0.67984536E+03 F= 0.62938263E+03 E0= 0.65833879E+03 EK= 0.50463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350486093481E+03 0.42190E+00 -0.18420E-01 8772 0.233E+01 0.431E-01 RMM: 2 -0.350500093464E+03 -0.14000E-01 -0.11274E-01 5164 0.753E-01 0.994E-01 RMM: 3 -0.350493064304E+03 0.70292E-02 -0.11129E-02 5389 0.235E-01 0.334E-01 RMM: 4 -0.350494273155E+03 -0.12089E-02 -0.26270E-03 5260 0.124E-01 0.552E-01 RMM: 5 -0.350492260227E+03 0.20129E-02 -0.12048E-03 4609 0.938E-02 0.149E-01 RMM: 6 -0.350492252957E+03 0.72696E-05 -0.24564E-04 3890 0.395E-02 0.151E-01 RMM: 7 -0.350492181373E+03 0.71584E-04 -0.13339E-04 3878 0.336E-02 0.110E-01 RMM: 8 -0.350492110703E+03 0.70670E-04 -0.61891E-05 3401 0.227E-02 0.368E-02 RMM: 9 -0.350492142472E+03 -0.31769E-04 -0.22799E-05 2583 0.136E-02 0.709E-02 RMM: 10 -0.350492118658E+03 0.23814E-04 -0.17147E-05 2521 0.134E-02 0.206E-02 RMM: 11 -0.350492117242E+03 0.14155E-05 -0.36242E-06 2428 0.571E-03 2329 T= 6367. E= 0.68288390E+03 F= 0.63020960E+03 E0= 0.65916369E+03 EK= 0.52674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350327598731E+03 0.16452E+00 -0.17452E-01 8196 0.239E+01 0.334E-01 RMM: 2 -0.350338483261E+03 -0.10885E-01 -0.10988E-01 4997 0.753E-01 0.669E-01 RMM: 3 -0.350335103012E+03 0.33802E-02 -0.10461E-02 5416 0.221E-01 0.280E-01 RMM: 4 -0.350335843902E+03 -0.74089E-03 -0.16510E-03 5018 0.991E-02 0.444E-01 RMM: 5 -0.350334559560E+03 0.12843E-02 -0.64538E-04 4595 0.665E-02 0.133E-01 RMM: 6 -0.350334467757E+03 0.91803E-04 -0.15971E-04 3882 0.322E-02 0.710E-02 RMM: 7 -0.350334463822E+03 0.39344E-05 -0.47226E-05 3207 0.206E-02 2330 T= 6706. E= 0.68624143E+03 F= 0.63076523E+03 E0= 0.65972866E+03 EK= 0.55476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350371331488E+03 -0.36864E-01 -0.18125E-01 8292 0.245E+01 0.422E-01 RMM: 2 -0.350380987294E+03 -0.96558E-02 -0.10838E-01 5177 0.752E-01 0.687E-01 RMM: 3 -0.350378161370E+03 0.28259E-02 -0.10115E-02 5381 0.221E-01 0.403E-01 RMM: 4 -0.350379203471E+03 -0.10421E-02 -0.20080E-03 5046 0.108E-01 0.576E-01 RMM: 5 -0.350376963546E+03 0.22399E-02 -0.10328E-03 4612 0.839E-02 0.981E-02 RMM: 6 -0.350377017565E+03 -0.54019E-04 -0.20763E-04 3887 0.355E-02 0.140E-01 RMM: 7 -0.350376944292E+03 0.73272E-04 -0.90967E-05 3825 0.267E-02 0.985E-02 RMM: 8 -0.350376885917E+03 0.58376E-04 -0.42591E-05 3180 0.186E-02 0.349E-02 RMM: 9 -0.350376907973E+03 -0.22056E-04 -0.23322E-05 2627 0.140E-02 0.606E-02 RMM: 10 -0.350376887611E+03 0.20362E-04 -0.15203E-05 2515 0.131E-02 0.114E-02 RMM: 11 -0.350376888874E+03 -0.12622E-05 -0.26460E-06 2423 0.473E-03 2331 T= 6988. E= 0.68891561E+03 F= 0.63110924E+03 E0= 0.66009122E+03 EK= 0.57806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350499667215E+03 -0.12278E+00 -0.19850E-01 8568 0.249E+01 0.379E-01 RMM: 2 -0.350511677821E+03 -0.12011E-01 -0.12456E-01 5131 0.798E-01 0.730E-01 RMM: 3 -0.350507989974E+03 0.36878E-02 -0.11352E-02 5407 0.232E-01 0.330E-01 RMM: 4 -0.350508790128E+03 -0.80015E-03 -0.18084E-03 4999 0.100E-01 0.491E-01 RMM: 5 -0.350507184200E+03 0.16059E-02 -0.79578E-04 4604 0.739E-02 0.110E-01 RMM: 6 -0.350507140935E+03 0.43265E-04 -0.15190E-04 3878 0.308E-02 0.843E-02 RMM: 7 -0.350507133317E+03 0.76181E-05 -0.52298E-05 3298 0.206E-02 2332 T= 7080. E= 0.68992849E+03 F= 0.63135848E+03 E0= 0.66036754E+03 EK= 0.58570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350620012854E+03 -0.11287E+00 -0.21114E-01 8952 0.249E+01 0.429E-01 RMM: 2 -0.350633673071E+03 -0.13660E-01 -0.12935E-01 5269 0.809E-01 0.888E-01 RMM: 3 -0.350628235322E+03 0.54377E-02 -0.11744E-02 5397 0.237E-01 0.347E-01 RMM: 4 -0.350629576334E+03 -0.13410E-02 -0.23475E-03 5168 0.117E-01 0.577E-01 RMM: 5 -0.350627358105E+03 0.22182E-02 -0.10449E-03 4604 0.839E-02 0.126E-01 RMM: 6 -0.350627366701E+03 -0.85961E-05 -0.24936E-04 3893 0.400E-02 0.137E-01 RMM: 7 -0.350627350143E+03 0.16558E-04 -0.11061E-04 3876 0.286E-02 2333 T= 6928. E= 0.68892820E+03 F= 0.63161701E+03 E0= 0.66065934E+03 EK= 0.57311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350697315910E+03 -0.69949E-01 -0.21766E-01 8664 0.244E+01 0.398E-01 RMM: 2 -0.350715590497E+03 -0.18275E-01 -0.14633E-01 5152 0.844E-01 0.106E+00 RMM: 3 -0.350707275111E+03 0.83154E-02 -0.13094E-02 5460 0.245E-01 0.299E-01 RMM: 4 -0.350708258517E+03 -0.98341E-03 -0.26381E-03 5235 0.126E-01 0.506E-01 RMM: 5 -0.350706649619E+03 0.16089E-02 -0.10672E-03 4603 0.869E-02 0.158E-01 RMM: 6 -0.350706560087E+03 0.89531E-04 -0.24413E-04 3889 0.396E-02 0.113E-01 RMM: 7 -0.350706581141E+03 -0.21054E-04 -0.11192E-04 3876 0.300E-02 0.123E-01 RMM: 8 -0.350706487616E+03 0.93525E-04 -0.51397E-05 3317 0.210E-02 0.364E-02 RMM: 9 -0.350706505614E+03 -0.17998E-04 -0.23511E-05 2649 0.137E-02 2334 T= 6595. E= 0.68647713E+03 F= 0.63192161E+03 E0= 0.66100054E+03 EK= 0.54556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350776624898E+03 -0.70137E-01 -0.21133E-01 8868 0.238E+01 0.365E-01 RMM: 2 -0.350792850778E+03 -0.16226E-01 -0.13000E-01 5229 0.798E-01 0.101E+00 RMM: 3 -0.350785406697E+03 0.74441E-02 -0.11383E-02 5464 0.231E-01 0.280E-01 RMM: 4 -0.350786129057E+03 -0.72236E-03 -0.21926E-03 5078 0.115E-01 0.453E-01 RMM: 5 -0.350784896199E+03 0.12329E-02 -0.93467E-04 4600 0.810E-02 0.181E-01 RMM: 6 -0.350784738671E+03 0.15753E-03 -0.29829E-04 3914 0.449E-02 0.102E-01 RMM: 7 -0.350784766531E+03 -0.27860E-04 -0.10690E-04 3850 0.305E-02 0.121E-01 RMM: 8 -0.350784670753E+03 0.95778E-04 -0.41088E-05 3157 0.192E-02 0.318E-02 RMM: 9 -0.350784678289E+03 -0.75360E-05 -0.15823E-05 2511 0.111E-02 2335 T= 6219. E= 0.68368714E+03 F= 0.63223564E+03 E0= 0.66135142E+03 EK= 0.51452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350928402017E+03 -0.14373E+00 -0.20444E-01 9036 0.231E+01 0.362E-01 RMM: 2 -0.350942819145E+03 -0.14417E-01 -0.12187E-01 5314 0.761E-01 0.920E-01 RMM: 3 -0.350936593423E+03 0.62257E-02 -0.10016E-02 5627 0.204E-01 0.259E-01 RMM: 4 -0.350937340240E+03 -0.74682E-03 -0.21863E-03 5025 0.119E-01 0.460E-01 RMM: 5 -0.350936033753E+03 0.13065E-02 -0.10844E-03 4613 0.892E-02 0.159E-01 RMM: 6 -0.350935999075E+03 0.34677E-04 -0.28310E-04 3909 0.429E-02 0.148E-01 RMM: 7 -0.350935924691E+03 0.74385E-04 -0.15328E-04 3883 0.379E-02 0.109E-01 RMM: 8 -0.350935854079E+03 0.70612E-04 -0.44742E-05 3226 0.201E-02 0.377E-02 RMM: 9 -0.350935873762E+03 -0.19683E-04 -0.23640E-05 2602 0.139E-02 2336 T= 5938. E= 0.68160521E+03 F= 0.63248484E+03 E0= 0.66163661E+03 EK= 0.49120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351222459998E+03 -0.28661E+00 -0.20097E-01 8892 0.227E+01 0.361E-01 RMM: 2 -0.351238464153E+03 -0.16004E-01 -0.12062E-01 5286 0.768E-01 0.105E+00 RMM: 3 -0.351230687703E+03 0.77764E-02 -0.10775E-02 5614 0.216E-01 0.264E-01 RMM: 4 -0.351231134684E+03 -0.44698E-03 -0.20146E-03 4954 0.111E-01 0.411E-01 RMM: 5 -0.351230180275E+03 0.95441E-03 -0.10542E-03 4605 0.882E-02 0.187E-01 RMM: 6 -0.351230053490E+03 0.12679E-03 -0.30754E-04 3914 0.455E-02 0.128E-01 RMM: 7 -0.351230068707E+03 -0.15217E-04 -0.14977E-04 3869 0.369E-02 2337 T= 5836. E= 0.68087239E+03 F= 0.63259545E+03 E0= 0.66178297E+03 EK= 0.48277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351704216387E+03 -0.47416E+00 -0.19803E-01 8868 0.226E+01 0.412E-01 RMM: 2 -0.351716187588E+03 -0.11971E-01 -0.11181E-01 5324 0.728E-01 0.842E-01 RMM: 3 -0.351711324018E+03 0.48636E-02 -0.94172E-03 5551 0.203E-01 0.324E-01 RMM: 4 -0.351712516551E+03 -0.11925E-02 -0.24113E-03 5051 0.122E-01 0.566E-01 RMM: 5 -0.351710443291E+03 0.20733E-02 -0.13890E-03 4608 0.101E-01 0.126E-01 RMM: 6 -0.351710600753E+03 -0.15746E-03 -0.34209E-04 3941 0.471E-02 0.202E-01 RMM: 7 -0.351710395126E+03 0.20563E-03 -0.16136E-04 3882 0.387E-02 0.101E-01 RMM: 8 -0.351710339133E+03 0.55993E-04 -0.44996E-05 3214 0.193E-02 0.437E-02 RMM: 9 -0.351710370088E+03 -0.30955E-04 -0.31698E-05 2829 0.158E-02 0.711E-02 RMM: 10 -0.351710345724E+03 0.24364E-04 -0.22562E-05 2605 0.151E-02 0.162E-02 RMM: 11 -0.351710346212E+03 -0.48830E-06 -0.40537E-06 2432 0.598E-03 2338 T= 5944. E= 0.68168837E+03 F= 0.63251843E+03 E0= 0.66174146E+03 EK= 0.49170E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352368632320E+03 -0.65829E+00 -0.19993E-01 8604 0.230E+01 0.326E-01 RMM: 2 -0.352382874995E+03 -0.14243E-01 -0.12012E-01 5176 0.761E-01 0.888E-01 RMM: 3 -0.352377280618E+03 0.55944E-02 -0.10746E-02 5666 0.209E-01 0.240E-01 RMM: 4 -0.352377855703E+03 -0.57509E-03 -0.17023E-03 4869 0.101E-01 0.414E-01 RMM: 5 -0.352376832542E+03 0.10232E-02 -0.73439E-04 4578 0.724E-02 0.162E-01 RMM: 6 -0.352376692719E+03 0.13982E-03 -0.22269E-04 3901 0.387E-02 0.793E-02 RMM: 7 -0.352376721103E+03 -0.28384E-04 -0.67077E-05 3513 0.245E-02 0.104E-01 RMM: 8 -0.352376649120E+03 0.71983E-04 -0.25337E-05 2813 0.160E-02 0.228E-02 RMM: 9 -0.352376650533E+03 -0.14133E-05 -0.86245E-06 2457 0.800E-03 2339 T= 6236. E= 0.68383948E+03 F= 0.63224804E+03 E0= 0.66150855E+03 EK= 0.51591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353170456804E+03 -0.79381E+00 -0.20080E-01 8640 0.236E+01 0.395E-01 RMM: 2 -0.353182590547E+03 -0.12134E-01 -0.11123E-01 5302 0.726E-01 0.850E-01 RMM: 3 -0.353177634410E+03 0.49561E-02 -0.93525E-03 5578 0.200E-01 0.300E-01 RMM: 4 -0.353178697487E+03 -0.10631E-02 -0.20711E-03 4972 0.111E-01 0.522E-01 RMM: 5 -0.353176900803E+03 0.17967E-02 -0.97615E-04 4602 0.825E-02 0.120E-01 RMM: 6 -0.353176884544E+03 0.16259E-04 -0.21384E-04 3904 0.371E-02 0.116E-01 RMM: 7 -0.353176880367E+03 0.41770E-05 -0.84362E-05 3674 0.261E-02 2340 T= 6627. E= 0.68665515E+03 F= 0.63183300E+03 E0= 0.66113223E+03 EK= 0.54822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353999583689E+03 -0.82270E+00 -0.21449E-01 8472 0.242E+01 0.412E-01 RMM: 2 -0.354013174064E+03 -0.13590E-01 -0.12937E-01 5154 0.790E-01 0.844E-01 RMM: 3 -0.354008279293E+03 0.48948E-02 -0.11736E-02 5595 0.225E-01 0.327E-01 RMM: 4 -0.354009392481E+03 -0.11132E-02 -0.22632E-03 5092 0.114E-01 0.553E-01 RMM: 5 -0.354007387124E+03 0.20054E-02 -0.10898E-03 4601 0.871E-02 0.113E-01 RMM: 6 -0.354007430664E+03 -0.43540E-04 -0.21661E-04 3880 0.368E-02 0.143E-01 RMM: 7 -0.354007373399E+03 0.57265E-04 -0.95938E-05 3799 0.272E-02 0.109E-01 RMM: 8 -0.354007301727E+03 0.71672E-04 -0.46814E-05 3236 0.196E-02 0.328E-02 RMM: 9 -0.354007325830E+03 -0.24104E-04 -0.21345E-05 2584 0.131E-02 0.634E-02 RMM: 10 -0.354007307630E+03 0.18200E-04 -0.14700E-05 2511 0.129E-02 2341 T= 6970. E= 0.68903444E+03 F= 0.63137735E+03 E0= 0.66071792E+03 EK= 0.57657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354731897799E+03 -0.72457E+00 -0.22768E-01 8448 0.247E+01 0.372E-01 RMM: 2 -0.354745942799E+03 -0.14045E-01 -0.13751E-01 5247 0.801E-01 0.793E-01 RMM: 3 -0.354741561076E+03 0.43817E-02 -0.11570E-02 5594 0.218E-01 0.323E-01 RMM: 4 -0.354742364754E+03 -0.80368E-03 -0.18452E-03 4921 0.103E-01 0.492E-01 RMM: 5 -0.354740759975E+03 0.16048E-02 -0.76104E-04 4600 0.717E-02 0.122E-01 RMM: 6 -0.354740686988E+03 0.72987E-04 -0.17750E-04 3898 0.338E-02 0.755E-02 RMM: 7 -0.354740684136E+03 0.28528E-05 -0.51561E-05 3265 0.204E-02 2342 T= 7109. E= 0.68982053E+03 F= 0.63101225E+03 E0= 0.66039573E+03 EK= 0.58808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355268507363E+03 -0.52782E+00 -0.23634E-01 8712 0.247E+01 0.413E-01 RMM: 2 -0.355283267498E+03 -0.14760E-01 -0.12626E-01 5472 0.755E-01 0.956E-01 RMM: 3 -0.355276620457E+03 0.66470E-02 -0.93583E-03 5398 0.213E-01 0.326E-01 RMM: 4 -0.355277763961E+03 -0.11435E-02 -0.25077E-03 5215 0.122E-01 0.542E-01 RMM: 5 -0.355275836562E+03 0.19274E-02 -0.10997E-03 4605 0.878E-02 0.132E-01 RMM: 6 -0.355275824425E+03 0.12137E-04 -0.22026E-04 3891 0.375E-02 0.132E-01 RMM: 7 -0.355275812388E+03 0.12036E-04 -0.10495E-04 3814 0.278E-02 2343 T= 6970. E= 0.68850234E+03 F= 0.63084491E+03 E0= 0.66027283E+03 EK= 0.57657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355578425634E+03 -0.30260E+00 -0.25096E-01 8736 0.243E+01 0.366E-01 RMM: 2 -0.355593048987E+03 -0.14623E-01 -0.14459E-01 5327 0.810E-01 0.722E-01 RMM: 3 -0.355588886274E+03 0.41627E-02 -0.10106E-02 5476 0.221E-01 0.319E-01 RMM: 4 -0.355589744224E+03 -0.85795E-03 -0.21111E-03 5216 0.114E-01 0.499E-01 RMM: 5 -0.355588129397E+03 0.16148E-02 -0.98445E-04 4605 0.829E-02 0.989E-02 RMM: 6 -0.355588232238E+03 -0.10284E-03 -0.23953E-04 3893 0.392E-02 0.160E-01 RMM: 7 -0.355588101748E+03 0.13049E-03 -0.92398E-05 3703 0.290E-02 0.759E-02 RMM: 8 -0.355588071517E+03 0.30231E-04 -0.27595E-05 2853 0.153E-02 0.352E-02 RMM: 9 -0.355588093634E+03 -0.22117E-04 -0.19920E-05 2545 0.130E-02 0.586E-02 RMM: 10 -0.355588077322E+03 0.16311E-04 -0.12903E-05 2489 0.117E-02 2344 T= 6614. E= 0.68561780E+03 F= 0.63090589E+03 E0= 0.66038095E+03 EK= 0.54712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355720163446E+03 -0.13207E+00 -0.23737E-01 8724 0.235E+01 0.334E-01 RMM: 2 -0.355733099250E+03 -0.12936E-01 -0.12772E-01 5497 0.730E-01 0.692E-01 RMM: 3 -0.355729042133E+03 0.40571E-02 -0.80256E-03 5393 0.201E-01 0.295E-01 RMM: 4 -0.355729851458E+03 -0.80933E-03 -0.18192E-03 5000 0.107E-01 0.468E-01 RMM: 5 -0.355728440037E+03 0.14114E-02 -0.81559E-04 4603 0.752E-02 0.131E-01 RMM: 6 -0.355728417334E+03 0.22703E-04 -0.24150E-04 3888 0.395E-02 0.122E-01 RMM: 7 -0.355728378248E+03 0.39086E-04 -0.84622E-05 3653 0.279E-02 0.973E-02 RMM: 8 -0.355728318923E+03 0.59325E-04 -0.26217E-05 2851 0.158E-02 0.267E-02 RMM: 9 -0.355728327604E+03 -0.86807E-05 -0.14056E-05 2485 0.105E-02 2345 T= 6193. E= 0.68238430E+03 F= 0.63114792E+03 E0= 0.66066931E+03 EK= 0.51236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355776444926E+03 -0.48126E-01 -0.23127E-01 8760 0.228E+01 0.347E-01 RMM: 2 -0.355788580361E+03 -0.12135E-01 -0.12610E-01 5527 0.719E-01 0.622E-01 RMM: 3 -0.355784989612E+03 0.35907E-02 -0.74241E-03 5515 0.185E-01 0.295E-01 RMM: 4 -0.355785721767E+03 -0.73215E-03 -0.18239E-03 4885 0.108E-01 0.470E-01 RMM: 5 -0.355784354383E+03 0.13674E-02 -0.95498E-04 4601 0.809E-02 0.148E-01 RMM: 6 -0.355784331416E+03 0.22967E-04 -0.28424E-04 3915 0.435E-02 0.139E-01 RMM: 7 -0.355784295621E+03 0.35795E-04 -0.11735E-04 3846 0.332E-02 0.119E-01 RMM: 8 -0.355784208206E+03 0.87415E-04 -0.37206E-05 3101 0.184E-02 0.338E-02 RMM: 9 -0.355784224155E+03 -0.15949E-04 -0.20558E-05 2569 0.129E-02 2346 T= 5862. E= 0.67997656E+03 F= 0.63148309E+03 E0= 0.66104903E+03 EK= 0.48493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355830682555E+03 -0.46474E-01 -0.24195E-01 8952 0.223E+01 0.333E-01 RMM: 2 -0.355844735711E+03 -0.14053E-01 -0.13738E-01 5342 0.764E-01 0.691E-01 RMM: 3 -0.355840498145E+03 0.42376E-02 -0.89788E-03 5505 0.202E-01 0.280E-01 RMM: 4 -0.355841215068E+03 -0.71692E-03 -0.19273E-03 5015 0.110E-01 0.453E-01 RMM: 5 -0.355839913029E+03 0.13020E-02 -0.90803E-04 4602 0.796E-02 0.128E-01 RMM: 6 -0.355839917889E+03 -0.48597E-05 -0.23829E-04 3894 0.392E-02 0.134E-01 RMM: 7 -0.355839882978E+03 0.34911E-04 -0.10620E-04 3801 0.304E-02 0.112E-01 RMM: 8 -0.355839803482E+03 0.79496E-04 -0.46093E-05 3203 0.204E-02 0.299E-02 RMM: 9 -0.355839817402E+03 -0.13920E-04 -0.16988E-05 2524 0.118E-02 2347 T= 5718. E= 0.67912778E+03 F= 0.63182306E+03 E0= 0.66143097E+03 EK= 0.47305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355950274409E+03 -0.11047E+00 -0.24738E-01 8892 0.222E+01 0.351E-01 RMM: 2 -0.355964903557E+03 -0.14629E-01 -0.13144E-01 5605 0.718E-01 0.831E-01 RMM: 3 -0.355959051923E+03 0.58516E-02 -0.72733E-03 5399 0.184E-01 0.267E-01 RMM: 4 -0.355960003762E+03 -0.95184E-03 -0.21166E-03 4872 0.115E-01 0.482E-01 RMM: 5 -0.355958568535E+03 0.14352E-02 -0.90672E-04 4601 0.781E-02 0.144E-01 RMM: 6 -0.355958515300E+03 0.53234E-04 -0.22899E-04 3895 0.384E-02 0.119E-01 RMM: 7 -0.355958531578E+03 -0.16278E-04 -0.10490E-04 3814 0.295E-02 2348 T= 5803. E= 0.68010632E+03 F= 0.63209755E+03 E0= 0.66174265E+03 EK= 0.48009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356164340402E+03 -0.20583E+00 -0.27772E-01 8988 0.225E+01 0.394E-01 RMM: 2 -0.356180558025E+03 -0.16218E-01 -0.14847E-01 5562 0.758E-01 0.863E-01 RMM: 3 -0.356174424687E+03 0.61333E-02 -0.92173E-03 5388 0.207E-01 0.322E-01 RMM: 4 -0.356175582785E+03 -0.11581E-02 -0.22835E-03 4902 0.115E-01 0.543E-01 RMM: 5 -0.356173696080E+03 0.18867E-02 -0.10418E-03 4600 0.842E-02 0.140E-01 RMM: 6 -0.356173679114E+03 0.16966E-04 -0.22253E-04 3884 0.366E-02 0.135E-01 RMM: 7 -0.356173654733E+03 0.24381E-04 -0.10782E-04 3868 0.291E-02 0.118E-01 RMM: 8 -0.356173571468E+03 0.83265E-04 -0.52665E-05 3321 0.210E-02 0.362E-02 RMM: 9 -0.356173595125E+03 -0.23657E-04 -0.22860E-05 2627 0.135E-02 0.638E-02 RMM: 10 -0.356173578867E+03 0.16258E-04 -0.14805E-05 2509 0.127E-02 2349 T= 6105. E= 0.68277337E+03 F= 0.63226639E+03 E0= 0.66194158E+03 EK= 0.50507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356483722475E+03 -0.31013E+00 -0.32863E-01 8856 0.231E+01 0.338E-01 RMM: 2 -0.356501520922E+03 -0.17798E-01 -0.17484E-01 5507 0.825E-01 0.721E-01 RMM: 3 -0.356496635444E+03 0.48855E-02 -0.10528E-02 5492 0.212E-01 0.282E-01 RMM: 4 -0.356497278284E+03 -0.64284E-03 -0.17758E-03 4767 0.988E-02 0.436E-01 RMM: 5 -0.356496128274E+03 0.11500E-02 -0.65113E-04 4577 0.647E-02 0.158E-01 RMM: 6 -0.356495976324E+03 0.15195E-03 -0.16590E-04 3886 0.325E-02 0.577E-02 RMM: 7 -0.356496005367E+03 -0.29043E-04 -0.53865E-05 3313 0.206E-02 0.909E-02 RMM: 8 -0.356495954227E+03 0.51140E-04 -0.27386E-05 2810 0.167E-02 0.240E-02 RMM: 9 -0.356495960006E+03 -0.57795E-05 -0.10587E-05 2476 0.871E-03 2350 T= 6552. E= 0.68651443E+03 F= 0.63231407E+03 E0= 0.66201059E+03 EK= 0.54200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356908831729E+03 -0.41288E+00 -0.39014E-01 8904 0.238E+01 0.384E-01 RMM: 2 -0.356928056690E+03 -0.19225E-01 -0.19270E-01 5922 0.837E-01 0.742E-01 RMM: 3 -0.356922804752E+03 0.52519E-02 -0.89634E-03 5423 0.200E-01 0.328E-01 RMM: 4 -0.356923633636E+03 -0.82888E-03 -0.19247E-03 4754 0.102E-01 0.501E-01 RMM: 5 -0.356922024370E+03 0.16093E-02 -0.86450E-04 4604 0.749E-02 0.126E-01 RMM: 6 -0.356921974059E+03 0.50311E-04 -0.19201E-04 3897 0.341E-02 0.101E-01 RMM: 7 -0.356921986002E+03 -0.11943E-04 -0.96047E-05 3795 0.267E-02 2351 T= 7000. E= 0.69015106E+03 F= 0.63224383E+03 E0= 0.66195029E+03 EK= 0.57907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357428279359E+03 -0.50631E+00 -0.46938E-01 8856 0.244E+01 0.403E-01 RMM: 2 -0.357455132308E+03 -0.26853E-01 -0.23636E-01 5598 0.959E-01 0.104E+00 RMM: 3 -0.357445973401E+03 0.91589E-02 -0.13742E-02 5517 0.243E-01 0.293E-01 RMM: 4 -0.357446931800E+03 -0.95840E-03 -0.25275E-03 5044 0.117E-01 0.501E-01 RMM: 5 -0.357445306937E+03 0.16249E-02 -0.92570E-04 4601 0.774E-02 0.127E-01 RMM: 6 -0.357445288271E+03 0.18666E-04 -0.20119E-04 3887 0.351E-02 0.120E-01 RMM: 7 -0.357445322329E+03 -0.34058E-04 -0.11423E-04 3876 0.279E-02 0.137E-01 RMM: 8 -0.357445209486E+03 0.11284E-03 -0.62426E-05 3443 0.224E-02 0.392E-02 RMM: 9 -0.357445218280E+03 -0.87941E-05 -0.20899E-05 2590 0.128E-02 2352 T= 7267. E= 0.69218526E+03 F= 0.63206584E+03 E0= 0.66177149E+03 EK= 0.60119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358048992612E+03 -0.60378E+00 -0.52003E-01 8844 0.245E+01 0.370E-01 RMM: 2 -0.358075509771E+03 -0.26517E-01 -0.24405E-01 5979 0.938E-01 0.926E-01 RMM: 3 -0.358067738662E+03 0.77711E-02 -0.11435E-02 5405 0.225E-01 0.297E-01 RMM: 4 -0.358068587875E+03 -0.84921E-03 -0.22544E-03 4920 0.110E-01 0.480E-01 RMM: 5 -0.358067169475E+03 0.14184E-02 -0.84430E-04 4608 0.749E-02 0.160E-01 RMM: 6 -0.358067027413E+03 0.14206E-03 -0.20584E-04 3885 0.364E-02 0.749E-02 RMM: 7 -0.358067095482E+03 -0.68069E-04 -0.78988E-05 3617 0.240E-02 0.126E-01 RMM: 8 -0.358066996917E+03 0.98565E-04 -0.39428E-05 3108 0.191E-02 0.325E-02 RMM: 9 -0.358067000221E+03 -0.33041E-05 -0.14986E-05 2508 0.107E-02 2353 T= 7228. E= 0.69158037E+03 F= 0.63178541E+03 E0= 0.66147959E+03 EK= 0.59795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358782672879E+03 -0.71568E+00 -0.54871E-01 8856 0.241E+01 0.370E-01 RMM: 2 -0.358811115654E+03 -0.28443E-01 -0.25204E-01 5837 0.970E-01 0.100E+00 RMM: 3 -0.358802241390E+03 0.88743E-02 -0.12455E-02 5496 0.232E-01 0.259E-01 RMM: 4 -0.358803182574E+03 -0.94118E-03 -0.23740E-03 5092 0.115E-01 0.482E-01 RMM: 5 -0.358801767576E+03 0.14150E-02 -0.88793E-04 4600 0.775E-02 0.156E-01 RMM: 6 -0.358801689662E+03 0.77914E-04 -0.23158E-04 3897 0.385E-02 0.117E-01 RMM: 7 -0.358801733752E+03 -0.44089E-04 -0.11182E-04 3849 0.290E-02 0.143E-01 RMM: 8 -0.358801605800E+03 0.12795E-03 -0.57483E-05 3393 0.220E-02 0.341E-02 RMM: 9 -0.358801614341E+03 -0.85403E-05 -0.18498E-05 2546 0.120E-02 2354 T= 6904. E= 0.68850980E+03 F= 0.63139567E+03 E0= 0.66107016E+03 EK= 0.57114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359654437262E+03 -0.85283E+00 -0.50196E-01 8784 0.234E+01 0.359E-01 RMM: 2 -0.359681961058E+03 -0.27524E-01 -0.23807E-01 5973 0.925E-01 0.102E+00 RMM: 3 -0.359672860469E+03 0.91006E-02 -0.11840E-02 5423 0.225E-01 0.268E-01 RMM: 4 -0.359673552349E+03 -0.69188E-03 -0.22033E-03 4987 0.111E-01 0.445E-01 RMM: 5 -0.359672404657E+03 0.11477E-02 -0.87449E-04 4609 0.781E-02 0.182E-01 RMM: 6 -0.359672265516E+03 0.13914E-03 -0.27463E-04 3892 0.421E-02 0.114E-01 RMM: 7 -0.359672330724E+03 -0.65208E-04 -0.12834E-04 3874 0.317E-02 0.147E-01 RMM: 8 -0.359672192216E+03 0.13851E-03 -0.60054E-05 3408 0.229E-02 0.357E-02 RMM: 9 -0.359672197780E+03 -0.55643E-05 -0.15568E-05 2521 0.110E-02 2355 T= 6447. E= 0.68421733E+03 F= 0.63087923E+03 E0= 0.66052973E+03 EK= 0.53338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360683026516E+03 -0.10108E+01 -0.44180E-01 8796 0.226E+01 0.358E-01 RMM: 2 -0.360708376914E+03 -0.25350E-01 -0.20636E-01 5898 0.877E-01 0.108E+00 RMM: 3 -0.360698600467E+03 0.97764E-02 -0.10734E-02 5408 0.224E-01 0.241E-01 RMM: 4 -0.360699483181E+03 -0.88271E-03 -0.22483E-03 5076 0.113E-01 0.460E-01 RMM: 5 -0.360698222773E+03 0.12604E-02 -0.85983E-04 4613 0.772E-02 0.174E-01 RMM: 6 -0.360698124121E+03 0.98652E-04 -0.29791E-04 3917 0.441E-02 0.128E-01 RMM: 7 -0.360698144213E+03 -0.20092E-04 -0.12965E-04 3872 0.328E-02 0.141E-01 RMM: 8 -0.360698019034E+03 0.12518E-03 -0.60972E-05 3435 0.227E-02 0.342E-02 RMM: 9 -0.360698028622E+03 -0.95879E-05 -0.16443E-05 2532 0.114E-02 2356 T= 6037. E= 0.68015981E+03 F= 0.63021913E+03 E0= 0.65984268E+03 EK= 0.49941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361869252945E+03 -0.11712E+01 -0.36594E-01 8868 0.221E+01 0.369E-01 RMM: 2 -0.361892719337E+03 -0.23466E-01 -0.18101E-01 5711 0.825E-01 0.113E+00 RMM: 3 -0.361882374256E+03 0.10345E-01 -0.10727E-02 5390 0.225E-01 0.275E-01 RMM: 4 -0.361883099381E+03 -0.72512E-03 -0.23406E-03 5068 0.114E-01 0.452E-01 RMM: 5 -0.361881942542E+03 0.11568E-02 -0.93108E-04 4610 0.816E-02 0.198E-01 RMM: 6 -0.361881752339E+03 0.19020E-03 -0.27121E-04 3889 0.416E-02 0.109E-01 RMM: 7 -0.361881794312E+03 -0.41973E-04 -0.12915E-04 3874 0.321E-02 0.133E-01 RMM: 8 -0.361881680440E+03 0.11387E-03 -0.55555E-05 3366 0.221E-02 0.339E-02 RMM: 9 -0.361881688478E+03 -0.80375E-05 -0.16629E-05 2518 0.115E-02 2357 T= 5795. E= 0.67735093E+03 F= 0.62941089E+03 E0= 0.65900737E+03 EK= 0.47940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363192380521E+03 -0.13107E+01 -0.29925E-01 8844 0.219E+01 0.372E-01 RMM: 2 -0.363211405526E+03 -0.19025E-01 -0.15349E-01 5713 0.758E-01 0.102E+00 RMM: 3 -0.363202961934E+03 0.84436E-02 -0.90982E-03 5368 0.208E-01 0.274E-01 RMM: 4 -0.363203981416E+03 -0.10195E-02 -0.22098E-03 4954 0.112E-01 0.493E-01 RMM: 5 -0.363202462545E+03 0.15189E-02 -0.87952E-04 4610 0.779E-02 0.161E-01 RMM: 6 -0.363202364789E+03 0.97756E-04 -0.24259E-04 3896 0.398E-02 0.112E-01 RMM: 7 -0.363202386446E+03 -0.21656E-04 -0.10213E-04 3822 0.282E-02 0.128E-01 RMM: 8 -0.363202283998E+03 0.10245E-03 -0.50127E-05 3290 0.208E-02 0.333E-02 RMM: 9 -0.363202291429E+03 -0.74313E-05 -0.16241E-05 2512 0.113E-02 2358 T= 5775. E= 0.67624206E+03 F= 0.62847004E+03 E0= 0.65803952E+03 EK= 0.47772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364602719922E+03 -0.14004E+01 -0.25842E-01 8772 0.222E+01 0.380E-01 RMM: 2 -0.364619875475E+03 -0.17156E-01 -0.13588E-01 5622 0.720E-01 0.102E+00 RMM: 3 -0.364611626903E+03 0.82486E-02 -0.85470E-03 5357 0.204E-01 0.290E-01 RMM: 4 -0.364612720982E+03 -0.10941E-02 -0.22653E-03 4984 0.114E-01 0.510E-01 RMM: 5 -0.364611115542E+03 0.16054E-02 -0.89689E-04 4610 0.795E-02 0.166E-01 RMM: 6 -0.364610974073E+03 0.14147E-03 -0.19798E-04 3884 0.351E-02 0.900E-02 RMM: 7 -0.364611006763E+03 -0.32690E-04 -0.93905E-05 3803 0.266E-02 0.115E-01 RMM: 8 -0.364610921863E+03 0.84899E-04 -0.44081E-05 3231 0.198E-02 0.281E-02 RMM: 9 -0.364610933425E+03 -0.11562E-04 -0.17169E-05 2516 0.116E-02 2359 T= 5971. E= 0.67683234E+03 F= 0.62743873E+03 E0= 0.65698242E+03 EK= 0.49394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366019382620E+03 -0.14085E+01 -0.23709E-01 8892 0.228E+01 0.381E-01 RMM: 2 -0.366034017433E+03 -0.14635E-01 -0.12787E-01 5498 0.719E-01 0.898E-01 RMM: 3 -0.366027682781E+03 0.63347E-02 -0.85507E-03 5389 0.199E-01 0.296E-01 RMM: 4 -0.366028756344E+03 -0.10736E-02 -0.20873E-03 4845 0.109E-01 0.512E-01 RMM: 5 -0.366027035099E+03 0.17212E-02 -0.87091E-04 4603 0.765E-02 0.118E-01 RMM: 6 -0.366026998332E+03 0.36767E-04 -0.15967E-04 3876 0.314E-02 0.982E-02 RMM: 7 -0.366026997734E+03 0.59803E-06 -0.69423E-05 3538 0.226E-02 2360 T= 6324. E= 0.67870993E+03 F= 0.62639189E+03 E0= 0.65591178E+03 EK= 0.52318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367335668272E+03 -0.13087E+01 -0.23746E-01 8904 0.236E+01 0.390E-01 RMM: 2 -0.367348357348E+03 -0.12689E-01 -0.12595E-01 5381 0.740E-01 0.748E-01 RMM: 3 -0.367344208318E+03 0.41490E-02 -0.91363E-03 5491 0.199E-01 0.358E-01 RMM: 4 -0.367345012867E+03 -0.80455E-03 -0.19616E-03 4841 0.107E-01 0.517E-01 RMM: 5 -0.367343258274E+03 0.17546E-02 -0.92687E-04 4601 0.793E-02 0.110E-01 RMM: 6 -0.367343249214E+03 0.90598E-05 -0.15206E-04 3874 0.301E-02 2361 T= 6719. E= 0.68101718E+03 F= 0.62543412E+03 E0= 0.65493179E+03 EK= 0.55583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368439689525E+03 -0.10964E+01 -0.23367E-01 8856 0.242E+01 0.463E-01 RMM: 2 -0.368463510296E+03 -0.23821E-01 -0.12346E-01 5272 0.762E-01 0.154E+00 RMM: 3 -0.368446908809E+03 0.16601E-01 -0.15264E-02 5338 0.291E-01 0.325E-01 RMM: 4 -0.368447735833E+03 -0.82702E-03 -0.27717E-03 5268 0.120E-01 0.490E-01 RMM: 5 -0.368446394226E+03 0.13416E-02 -0.85620E-04 4608 0.756E-02 0.231E-01 RMM: 6 -0.368446061905E+03 0.33232E-03 -0.28683E-04 3924 0.447E-02 0.730E-02 RMM: 7 -0.368446139737E+03 -0.77832E-04 -0.10283E-04 3786 0.267E-02 0.134E-01 RMM: 8 -0.368446034085E+03 0.10565E-03 -0.47736E-05 3247 0.203E-02 0.449E-02 RMM: 9 -0.368446030138E+03 0.39468E-05 -0.18423E-05 2554 0.122E-02 2362 T= 6999. E= 0.68258094E+03 F= 0.62468018E+03 E0= 0.65415836E+03 EK= 0.57901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369240034697E+03 -0.79400E+00 -0.22393E-01 8724 0.245E+01 0.435E-01 RMM: 2 -0.369264024318E+03 -0.23990E-01 -0.11501E-01 5121 0.752E-01 0.156E+00 RMM: 3 -0.369247197027E+03 0.16827E-01 -0.14230E-02 5338 0.283E-01 0.386E-01 RMM: 4 -0.369247189509E+03 0.75187E-05 -0.28920E-03 5277 0.124E-01 0.396E-01 RMM: 5 -0.369246371745E+03 0.81776E-03 -0.73193E-04 4602 0.710E-02 0.222E-01 RMM: 6 -0.369246063536E+03 0.30821E-03 -0.18871E-04 3888 0.364E-02 0.625E-02 RMM: 7 -0.369246104875E+03 -0.41340E-04 -0.88431E-05 3676 0.244E-02 0.106E-01 RMM: 8 -0.369246035721E+03 0.69154E-04 -0.45001E-05 3184 0.204E-02 0.366E-02 RMM: 9 -0.369246030745E+03 0.49768E-05 -0.12271E-05 2491 0.101E-02 2363 T= 7036. E= 0.68243419E+03 F= 0.62422349E+03 E0= 0.65368783E+03 EK= 0.58211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369704260154E+03 -0.45822E+00 -0.20512E-01 8520 0.244E+01 0.375E-01 RMM: 2 -0.369720615524E+03 -0.16355E-01 -0.99553E-02 5191 0.682E-01 0.120E+00 RMM: 3 -0.369710409348E+03 0.10206E-01 -0.92544E-03 5352 0.220E-01 0.274E-01 RMM: 4 -0.369711283341E+03 -0.87399E-03 -0.22691E-03 5129 0.114E-01 0.471E-01 RMM: 5 -0.369709933683E+03 0.13497E-02 -0.83828E-04 4597 0.773E-02 0.168E-01 RMM: 6 -0.369709789757E+03 0.14393E-03 -0.19128E-04 3880 0.358E-02 0.903E-02 RMM: 7 -0.369709832170E+03 -0.42413E-04 -0.99355E-05 3776 0.272E-02 0.124E-01 RMM: 8 -0.369709734414E+03 0.97756E-04 -0.50162E-05 3296 0.211E-02 0.306E-02 RMM: 9 -0.369709742726E+03 -0.83123E-05 -0.15456E-05 2513 0.109E-02 2364 T= 6812. E= 0.68045514E+03 F= 0.62410284E+03 E0= 0.65355919E+03 EK= 0.56352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369862114760E+03 -0.15238E+00 -0.18903E-01 8508 0.239E+01 0.349E-01 RMM: 2 -0.369877147267E+03 -0.15033E-01 -0.98193E-02 4952 0.709E-01 0.111E+00 RMM: 3 -0.369868558218E+03 0.85890E-02 -0.10093E-02 5380 0.228E-01 0.262E-01 RMM: 4 -0.369869049309E+03 -0.49109E-03 -0.18359E-03 5078 0.103E-01 0.391E-01 RMM: 5 -0.369868191110E+03 0.85820E-03 -0.72796E-04 4607 0.721E-02 0.193E-01 RMM: 6 -0.369867989971E+03 0.20114E-03 -0.23475E-04 3895 0.398E-02 0.920E-02 RMM: 7 -0.369868064608E+03 -0.74637E-04 -0.11312E-04 3849 0.294E-02 0.141E-01 RMM: 8 -0.369867939085E+03 0.12552E-03 -0.55817E-05 3382 0.223E-02 0.316E-02 RMM: 9 -0.369867943640E+03 -0.45549E-05 -0.15546E-05 2505 0.112E-02 2365 T= 6428. E= 0.67746512E+03 F= 0.62429176E+03 E0= 0.65374767E+03 EK= 0.53173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369784889776E+03 0.83049E-01 -0.17560E-01 7860 0.232E+01 0.314E-01 RMM: 2 -0.369797702274E+03 -0.12812E-01 -0.97740E-02 4999 0.702E-01 0.910E-01 RMM: 3 -0.369791703590E+03 0.59987E-02 -0.94292E-03 5476 0.206E-01 0.220E-01 RMM: 4 -0.369792279613E+03 -0.57602E-03 -0.17164E-03 5024 0.103E-01 0.399E-01 RMM: 5 -0.369791281629E+03 0.99798E-03 -0.79023E-04 4608 0.757E-02 0.129E-01 RMM: 6 -0.369791306362E+03 -0.24733E-04 -0.22996E-04 3886 0.389E-02 0.145E-01 RMM: 7 -0.369791238913E+03 0.67449E-04 -0.10141E-04 3786 0.306E-02 0.107E-01 RMM: 8 -0.369791167725E+03 0.71188E-04 -0.37669E-05 3108 0.183E-02 0.308E-02 RMM: 9 -0.369791176781E+03 -0.90562E-05 -0.14683E-05 2503 0.109E-02 2366 T= 6038. E= 0.67467406E+03 F= 0.62472120E+03 E0= 0.65418334E+03 EK= 0.49953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369553820018E+03 0.23735E+00 -0.15814E-01 7776 0.227E+01 0.316E-01 RMM: 2 -0.369564885361E+03 -0.11065E-01 -0.77094E-02 5101 0.645E-01 0.948E-01 RMM: 3 -0.369558766421E+03 0.61189E-02 -0.77021E-03 5412 0.193E-01 0.236E-01 RMM: 4 -0.369559184074E+03 -0.41765E-03 -0.15719E-03 4820 0.984E-02 0.364E-01 RMM: 5 -0.369558415842E+03 0.76823E-03 -0.73904E-04 4604 0.734E-02 0.171E-01 RMM: 6 -0.369558308202E+03 0.10764E-03 -0.23397E-04 3887 0.394E-02 0.118E-01 RMM: 7 -0.369558321831E+03 -0.13629E-04 -0.11674E-04 3867 0.318E-02 2367 T= 5773. E= 0.67307018E+03 F= 0.62531013E+03 E0= 0.65478568E+03 EK= 0.47760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369226738829E+03 0.33157E+00 -0.15031E-01 7740 0.224E+01 0.345E-01 RMM: 2 -0.369233709075E+03 -0.69702E-02 -0.65096E-02 5159 0.602E-01 0.717E-01 RMM: 3 -0.369230513669E+03 0.31954E-02 -0.64543E-03 5375 0.176E-01 0.274E-01 RMM: 4 -0.369231402523E+03 -0.88885E-03 -0.16633E-03 4774 0.103E-01 0.475E-01 RMM: 5 -0.369229925201E+03 0.14773E-02 -0.87581E-04 4607 0.788E-02 0.114E-01 RMM: 6 -0.369230034456E+03 -0.10925E-03 -0.24796E-04 3918 0.402E-02 0.174E-01 RMM: 7 -0.369229903358E+03 0.13110E-03 -0.11650E-04 3835 0.326E-02 0.106E-01 RMM: 8 -0.369229836289E+03 0.67069E-04 -0.50714E-05 3304 0.206E-02 0.349E-02 RMM: 9 -0.369229859100E+03 -0.22812E-04 -0.22794E-05 2630 0.134E-02 0.613E-02 RMM: 10 -0.369229843664E+03 0.15437E-04 -0.17412E-05 2518 0.133E-02 2368 T= 5706. E= 0.67319823E+03 F= 0.62599285E+03 E0= 0.65548859E+03 EK= 0.47205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368836863888E+03 0.39300E+00 -0.14336E-01 7632 0.225E+01 0.278E-01 RMM: 2 -0.368844248052E+03 -0.73842E-02 -0.56636E-02 5145 0.577E-01 0.782E-01 RMM: 3 -0.368840268305E+03 0.39797E-02 -0.58786E-03 5398 0.167E-01 0.185E-01 RMM: 4 -0.368840783349E+03 -0.51504E-03 -0.11368E-03 4639 0.827E-02 0.354E-01 RMM: 5 -0.368840049901E+03 0.73345E-03 -0.47268E-04 4477 0.580E-02 0.142E-01 RMM: 6 -0.368839936951E+03 0.11295E-03 -0.14914E-04 3885 0.321E-02 0.620E-02 RMM: 7 -0.368839962285E+03 -0.25334E-04 -0.42996E-05 3156 0.198E-02 0.904E-02 RMM: 8 -0.368839910821E+03 0.51464E-04 -0.20298E-05 2598 0.148E-02 0.217E-02 RMM: 9 -0.368839909698E+03 0.11227E-05 -0.55831E-06 2440 0.655E-03 2369 T= 5859. E= 0.67519573E+03 F= 0.62672861E+03 E0= 0.65625146E+03 EK= 0.48467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368396502739E+03 0.44341E+00 -0.14435E-01 7560 0.230E+01 0.335E-01 RMM: 2 -0.368401229052E+03 -0.47263E-02 -0.50255E-02 5277 0.549E-01 0.642E-01 RMM: 3 -0.368399005493E+03 0.22236E-02 -0.48809E-03 5347 0.156E-01 0.267E-01 RMM: 4 -0.368399782594E+03 -0.77710E-03 -0.11509E-03 4626 0.829E-02 0.456E-01 RMM: 5 -0.368398420299E+03 0.13623E-02 -0.60810E-04 4582 0.639E-02 0.813E-02 RMM: 6 -0.368398465845E+03 -0.45546E-04 -0.14740E-04 3873 0.303E-02 0.121E-01 RMM: 7 -0.368398393702E+03 0.72143E-04 -0.54955E-05 3345 0.218E-02 0.702E-02 RMM: 8 -0.368398365205E+03 0.28497E-04 -0.20049E-05 2566 0.134E-02 0.261E-02 RMM: 9 -0.368398377852E+03 -0.12647E-04 -0.14132E-05 2489 0.107E-02 2370 T= 6202. E= 0.67881249E+03 F= 0.62750201E+03 E0= 0.65705737E+03 EK= 0.51310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367898547014E+03 0.49982E+00 -0.15698E-01 7560 0.237E+01 0.318E-01 RMM: 2 -0.367906000642E+03 -0.74536E-02 -0.72897E-02 5116 0.661E-01 0.698E-01 RMM: 3 -0.367903143577E+03 0.28571E-02 -0.74826E-03 5420 0.184E-01 0.224E-01 RMM: 4 -0.367903826684E+03 -0.68311E-03 -0.11756E-03 4694 0.815E-02 0.411E-01 RMM: 5 -0.367902708222E+03 0.11185E-02 -0.53807E-04 4532 0.601E-02 0.949E-02 RMM: 6 -0.367902685732E+03 0.22490E-04 -0.10804E-04 3817 0.265E-02 0.805E-02 RMM: 7 -0.367902679085E+03 0.66474E-05 -0.42343E-05 3120 0.189E-02 2371 T= 6649. E= 0.68331464E+03 F= 0.62831288E+03 E0= 0.65790517E+03 EK= 0.55002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367350645875E+03 0.55204E+00 -0.16795E-01 7860 0.243E+01 0.344E-01 RMM: 2 -0.367358740085E+03 -0.80942E-02 -0.68556E-02 5271 0.656E-01 0.837E-01 RMM: 3 -0.367354650772E+03 0.40893E-02 -0.67599E-03 5347 0.185E-01 0.241E-01 RMM: 4 -0.367355532016E+03 -0.88124E-03 -0.14569E-03 4654 0.920E-02 0.456E-01 RMM: 5 -0.367354167103E+03 0.13649E-02 -0.63589E-04 4559 0.644E-02 0.847E-02 RMM: 6 -0.367354180338E+03 -0.13234E-04 -0.11094E-04 3811 0.266E-02 2372 T= 7046. E= 0.68745049E+03 F= 0.62916082E+03 E0= 0.65879371E+03 EK= 0.58290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366768139786E+03 0.58603E+00 -0.18255E-01 7788 0.247E+01 0.418E-01 RMM: 2 -0.366795469863E+03 -0.27330E-01 -0.89911E-02 5146 0.744E-01 0.186E+00 RMM: 3 -0.366773406843E+03 0.22063E-01 -0.13853E-02 5336 0.286E-01 0.304E-01 RMM: 4 -0.366773723255E+03 -0.31641E-03 -0.22961E-03 5072 0.107E-01 0.379E-01 RMM: 5 -0.366772888043E+03 0.83521E-03 -0.51573E-04 4522 0.565E-02 0.170E-01 RMM: 6 -0.366772711018E+03 0.17703E-03 -0.15177E-04 3870 0.320E-02 0.647E-02 RMM: 7 -0.366772762523E+03 -0.51505E-04 -0.79853E-05 3598 0.240E-02 0.111E-01 RMM: 8 -0.366772687937E+03 0.74586E-04 -0.41144E-05 3125 0.193E-02 0.381E-02 RMM: 9 -0.366772686022E+03 0.19145E-05 -0.16636E-05 2512 0.117E-02 2373 T= 7228. E= 0.68982339E+03 F= 0.63003011E+03 E0= 0.65970309E+03 EK= 0.59793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366200795972E+03 0.57189E+00 -0.18768E-01 7680 0.247E+01 0.394E-01 RMM: 2 -0.366229710033E+03 -0.28914E-01 -0.87725E-02 5146 0.738E-01 0.191E+00 RMM: 3 -0.366206260332E+03 0.23450E-01 -0.13384E-02 5335 0.282E-01 0.339E-01 RMM: 4 -0.366205951046E+03 0.30929E-03 -0.23264E-03 5109 0.109E-01 0.292E-01 RMM: 5 -0.366205627618E+03 0.32343E-03 -0.52341E-04 4591 0.607E-02 0.211E-01 RMM: 6 -0.366205332750E+03 0.29487E-03 -0.15780E-04 3875 0.331E-02 0.508E-02 RMM: 7 -0.366205382962E+03 -0.50212E-04 -0.85019E-05 3652 0.237E-02 0.105E-01 RMM: 8 -0.366205316345E+03 0.66617E-04 -0.45213E-05 3189 0.208E-02 0.367E-02 RMM: 9 -0.366205309962E+03 0.63826E-05 -0.10233E-05 2466 0.938E-03 2374 T= 7109. E= 0.68968829E+03 F= 0.63087943E+03 E0= 0.66059018E+03 EK= 0.58809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365711353987E+03 0.49396E+00 -0.18113E-01 7476 0.241E+01 0.307E-01 RMM: 2 -0.365724255414E+03 -0.12901E-01 -0.72080E-02 5151 0.653E-01 0.111E+00 RMM: 3 -0.365716213295E+03 0.80421E-02 -0.78365E-03 5344 0.201E-01 0.226E-01 RMM: 4 -0.365716671127E+03 -0.45783E-03 -0.15059E-03 4783 0.939E-02 0.354E-01 RMM: 5 -0.365715952788E+03 0.71834E-03 -0.50263E-04 4541 0.580E-02 0.161E-01 RMM: 6 -0.365715815031E+03 0.13776E-03 -0.16665E-04 3892 0.336E-02 0.821E-02 RMM: 7 -0.365715853454E+03 -0.38423E-04 -0.91791E-05 3729 0.268E-02 0.113E-01 RMM: 8 -0.365715773525E+03 0.79929E-04 -0.45962E-05 3237 0.207E-02 0.315E-02 RMM: 9 -0.365715775957E+03 -0.24320E-05 -0.13840E-05 2488 0.106E-02 2375 T= 6749. E= 0.68748511E+03 F= 0.63165063E+03 E0= 0.66139411E+03 EK= 0.55834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365359318518E+03 0.35646E+00 -0.17417E-01 7536 0.234E+01 0.276E-01 RMM: 2 -0.365370717130E+03 -0.11399E-01 -0.75142E-02 4896 0.680E-01 0.965E-01 RMM: 3 -0.365364711470E+03 0.60057E-02 -0.87064E-03 5424 0.207E-01 0.203E-01 RMM: 4 -0.365364971860E+03 -0.26039E-03 -0.12338E-03 4807 0.863E-02 0.304E-01 RMM: 5 -0.365364452819E+03 0.51904E-03 -0.54279E-04 4594 0.638E-02 0.141E-01 RMM: 6 -0.365364376402E+03 0.76417E-04 -0.17155E-04 3879 0.339E-02 0.938E-02 RMM: 7 -0.365364404831E+03 -0.28429E-04 -0.81120E-05 3646 0.262E-02 0.112E-01 RMM: 8 -0.365364325082E+03 0.79749E-04 -0.36297E-05 3068 0.189E-02 0.296E-02 RMM: 9 -0.365364326287E+03 -0.12046E-05 -0.10361E-05 2463 0.933E-03 2376 T= 6310. E= 0.68448822E+03 F= 0.63228707E+03 E0= 0.66205795E+03 EK= 0.52201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365183337228E+03 0.18099E+00 -0.16543E-01 7620 0.227E+01 0.271E-01 RMM: 2 -0.365193714096E+03 -0.10377E-01 -0.78934E-02 4848 0.676E-01 0.827E-01 RMM: 3 -0.365189129642E+03 0.45845E-02 -0.88181E-03 5483 0.199E-01 0.202E-01 RMM: 4 -0.365189353506E+03 -0.22386E-03 -0.12520E-03 4852 0.889E-02 0.299E-01 RMM: 5 -0.365188883569E+03 0.46994E-03 -0.56719E-04 4594 0.646E-02 0.160E-01 RMM: 6 -0.365188769893E+03 0.11368E-03 -0.18961E-04 3891 0.360E-02 0.962E-02 RMM: 7 -0.365188794081E+03 -0.24188E-04 -0.98572E-05 3803 0.293E-02 0.114E-01 RMM: 8 -0.365188712364E+03 0.81716E-04 -0.43665E-05 3202 0.203E-02 0.303E-02 RMM: 9 -0.365188715672E+03 -0.33075E-05 -0.12070E-05 2478 0.101E-02 2377 T= 5953. E= 0.68199764E+03 F= 0.63275157E+03 E0= 0.66254470E+03 EK= 0.49246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365185117445E+03 0.35949E-02 -0.16458E-01 7896 0.222E+01 0.270E-01 RMM: 2 -0.365197542532E+03 -0.12425E-01 -0.87136E-02 4765 0.711E-01 0.930E-01 RMM: 3 -0.365191612448E+03 0.59301E-02 -0.97264E-03 5470 0.211E-01 0.201E-01 RMM: 4 -0.365191892968E+03 -0.28052E-03 -0.12822E-03 4898 0.885E-02 0.308E-01 RMM: 5 -0.365191320925E+03 0.57204E-03 -0.53658E-04 4602 0.627E-02 0.128E-01 RMM: 6 -0.365191263473E+03 0.57452E-04 -0.15424E-04 3871 0.319E-02 0.916E-02 RMM: 7 -0.365191267708E+03 -0.42352E-05 -0.74626E-05 3620 0.257E-02 2378 T= 5780. E= 0.68085410E+03 F= 0.63303926E+03 E0= 0.66285129E+03 EK= 0.47815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365335037521E+03 -0.14377E+00 -0.15577E-01 7860 0.222E+01 0.302E-01 RMM: 2 -0.365344508992E+03 -0.94715E-02 -0.76476E-02 4867 0.656E-01 0.784E-01 RMM: 3 -0.365340400038E+03 0.41090E-02 -0.84081E-03 5473 0.196E-01 0.235E-01 RMM: 4 -0.365341003585E+03 -0.60355E-03 -0.16165E-03 4959 0.101E-01 0.397E-01 RMM: 5 -0.365339997948E+03 0.10056E-02 -0.66580E-04 4594 0.679E-02 0.114E-01 RMM: 6 -0.365339988845E+03 0.91030E-05 -0.14540E-04 3874 0.307E-02 2379 T= 5829. E= 0.68139574E+03 F= 0.63317762E+03 E0= 0.66300777E+03 EK= 0.48218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365570553059E+03 -0.23056E+00 -0.15581E-01 8076 0.225E+01 0.387E-01 RMM: 2 -0.365593111256E+03 -0.22558E-01 -0.85976E-02 4949 0.716E-01 0.161E+00 RMM: 3 -0.365575944025E+03 0.17167E-01 -0.14298E-02 5341 0.292E-01 0.303E-01 RMM: 4 -0.365575706458E+03 0.23757E-03 -0.18109E-03 4925 0.928E-02 0.253E-01 RMM: 5 -0.365575566457E+03 0.14000E-03 -0.49421E-04 4494 0.549E-02 0.226E-01 RMM: 6 -0.365575245229E+03 0.32123E-03 -0.25016E-04 3881 0.425E-02 0.620E-02 RMM: 7 -0.365575301117E+03 -0.55888E-04 -0.84723E-05 3620 0.250E-02 0.111E-01 RMM: 8 -0.365575239520E+03 0.61597E-04 -0.38072E-05 3067 0.196E-02 0.507E-02 RMM: 9 -0.365575226203E+03 0.13317E-04 -0.12229E-05 2487 0.103E-02 2380 T= 6082. E= 0.68353585E+03 F= 0.63322152E+03 E0= 0.66307361E+03 EK= 0.50314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365809163738E+03 -0.23392E+00 -0.16364E-01 8304 0.232E+01 0.376E-01 RMM: 2 -0.365831194792E+03 -0.22031E-01 -0.83099E-02 5132 0.691E-01 0.159E+00 RMM: 3 -0.365814532688E+03 0.16662E-01 -0.12625E-02 5353 0.271E-01 0.352E-01 RMM: 4 -0.365814272816E+03 0.25987E-03 -0.22489E-03 5000 0.108E-01 0.307E-01 RMM: 5 -0.365813826046E+03 0.44677E-03 -0.47615E-04 4474 0.570E-02 0.183E-01 RMM: 6 -0.365813606921E+03 0.21913E-03 -0.12165E-04 3847 0.295E-02 0.408E-02 RMM: 7 -0.365813617182E+03 -0.10261E-04 -0.29533E-05 2795 0.157E-02 2381 T= 6467. E= 0.68675124E+03 F= 0.63325119E+03 E0= 0.66312879E+03 EK= 0.53500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365954599554E+03 -0.14099E+00 -0.17667E-01 8424 0.239E+01 0.349E-01 RMM: 2 -0.365972005642E+03 -0.17406E-01 -0.93253E-02 5238 0.719E-01 0.128E+00 RMM: 3 -0.365960943543E+03 0.11062E-01 -0.10484E-02 5405 0.232E-01 0.259E-01 RMM: 4 -0.365961425745E+03 -0.48220E-03 -0.18668E-03 4836 0.102E-01 0.382E-01 RMM: 5 -0.365960612382E+03 0.81336E-03 -0.50241E-04 4456 0.559E-02 0.186E-01 RMM: 6 -0.365960398126E+03 0.21426E-03 -0.16823E-04 3876 0.342E-02 0.592E-02 RMM: 7 -0.365960464094E+03 -0.65968E-04 -0.77360E-05 3594 0.231E-02 0.122E-01 RMM: 8 -0.365960373626E+03 0.90468E-04 -0.44292E-05 3142 0.203E-02 0.363E-02 RMM: 9 -0.365960373277E+03 0.34969E-06 -0.17365E-05 2508 0.118E-02 2382 T= 6852. E= 0.69004690E+03 F= 0.63336088E+03 E0= 0.66327213E+03 EK= 0.56686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365928025433E+03 0.32348E-01 -0.18308E-01 8664 0.244E+01 0.314E-01 RMM: 2 -0.365942105540E+03 -0.14080E-01 -0.97932E-02 5240 0.733E-01 0.105E+00 RMM: 3 -0.365934745706E+03 0.73598E-02 -0.95335E-03 5480 0.213E-01 0.205E-01 RMM: 4 -0.365935514321E+03 -0.76862E-03 -0.15040E-03 4742 0.928E-02 0.404E-01 RMM: 5 -0.365934474554E+03 0.10398E-02 -0.47123E-04 4405 0.551E-02 0.118E-01 RMM: 6 -0.365934393361E+03 0.81193E-04 -0.98390E-05 3762 0.258E-02 0.511E-02 RMM: 7 -0.365934422738E+03 -0.29377E-04 -0.43056E-05 3097 0.186E-02 0.854E-02 RMM: 8 -0.365934379909E+03 0.42829E-04 -0.29536E-05 2762 0.172E-02 0.260E-02 RMM: 9 -0.365934383184E+03 -0.32755E-05 -0.11832E-05 2466 0.967E-03 2383 T= 7078. E= 0.69218748E+03 F= 0.63363379E+03 E0= 0.66358899E+03 EK= 0.58554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365687541433E+03 0.24684E+00 -0.18795E-01 8676 0.245E+01 0.296E-01 RMM: 2 -0.365701186376E+03 -0.13645E-01 -0.10108E-01 5296 0.727E-01 0.961E-01 RMM: 3 -0.365694577090E+03 0.66093E-02 -0.84682E-03 5590 0.198E-01 0.195E-01 RMM: 4 -0.365695134026E+03 -0.55694E-03 -0.13938E-03 4726 0.904E-02 0.365E-01 RMM: 5 -0.365694318606E+03 0.81542E-03 -0.42761E-04 4222 0.522E-02 0.127E-01 RMM: 6 -0.365694228352E+03 0.90254E-04 -0.10067E-04 3760 0.269E-02 0.597E-02 RMM: 7 -0.365694272408E+03 -0.44056E-04 -0.63941E-05 3439 0.217E-02 0.106E-01 RMM: 8 -0.365694202440E+03 0.69969E-04 -0.35526E-05 3007 0.189E-02 0.240E-02 RMM: 9 -0.365694207528E+03 -0.50878E-05 -0.12370E-05 2473 0.975E-03 2384 T= 7037. E= 0.69233300E+03 F= 0.63411520E+03 E0= 0.66412502E+03 EK= 0.58218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365247449585E+03 0.44675E+00 -0.18717E-01 8664 0.241E+01 0.266E-01 RMM: 2 -0.365260520683E+03 -0.13071E-01 -0.10667E-01 5204 0.732E-01 0.835E-01 RMM: 3 -0.365255140463E+03 0.53802E-02 -0.84735E-03 5687 0.196E-01 0.179E-01 RMM: 4 -0.365255542452E+03 -0.40199E-03 -0.11426E-03 4762 0.824E-02 0.327E-01 RMM: 5 -0.365254904325E+03 0.63813E-03 -0.39307E-04 4289 0.515E-02 0.123E-01 RMM: 6 -0.365254833211E+03 0.71114E-04 -0.12169E-04 3856 0.296E-02 0.702E-02 RMM: 7 -0.365254879644E+03 -0.46433E-04 -0.56375E-05 3355 0.215E-02 0.110E-01 RMM: 8 -0.365254803329E+03 0.76316E-04 -0.31367E-05 2937 0.180E-02 0.232E-02 RMM: 9 -0.365254807202E+03 -0.38727E-05 -0.93537E-06 2462 0.825E-03 2385 T= 6748. E= 0.69062201E+03 F= 0.63479426E+03 E0= 0.66486760E+03 EK= 0.55828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364671466253E+03 0.58334E+00 -0.17809E-01 8628 0.234E+01 0.250E-01 RMM: 2 -0.364684494502E+03 -0.13028E-01 -0.10317E-01 5290 0.717E-01 0.840E-01 RMM: 3 -0.364678987883E+03 0.55066E-02 -0.78216E-03 5644 0.189E-01 0.185E-01 RMM: 4 -0.364679126941E+03 -0.13906E-03 -0.10025E-03 4692 0.767E-02 0.262E-01 RMM: 5 -0.364678750927E+03 0.37601E-03 -0.35786E-04 4253 0.505E-02 0.133E-01 RMM: 6 -0.364678677455E+03 0.73473E-04 -0.13292E-04 3871 0.312E-02 0.835E-02 RMM: 7 -0.364678718053E+03 -0.40598E-04 -0.71638E-05 3541 0.240E-02 0.114E-01 RMM: 8 -0.364678636455E+03 0.81598E-04 -0.35908E-05 3067 0.190E-02 0.258E-02 RMM: 9 -0.364678638803E+03 -0.23480E-05 -0.95435E-06 2465 0.857E-03 2386 T= 6341. E= 0.68806974E+03 F= 0.63561136E+03 E0= 0.66575367E+03 EK= 0.52458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364038360930E+03 0.64028E+00 -0.16617E-01 8604 0.227E+01 0.247E-01 RMM: 2 -0.364051682151E+03 -0.13321E-01 -0.99352E-02 5299 0.707E-01 0.904E-01 RMM: 3 -0.364045587847E+03 0.60943E-02 -0.76649E-03 5722 0.186E-01 0.191E-01 RMM: 4 -0.364045610708E+03 -0.22861E-04 -0.90784E-04 4676 0.726E-02 0.236E-01 RMM: 5 -0.364045320374E+03 0.29033E-03 -0.38312E-04 4445 0.537E-02 0.135E-01 RMM: 6 -0.364045255989E+03 0.64385E-04 -0.14960E-04 3876 0.325E-02 0.921E-02 RMM: 7 -0.364045298350E+03 -0.42361E-04 -0.77643E-05 3579 0.251E-02 0.122E-01 RMM: 8 -0.364045205130E+03 0.93220E-04 -0.40578E-05 3175 0.197E-02 0.283E-02 RMM: 9 -0.364045207137E+03 -0.20072E-05 -0.96152E-06 2467 0.851E-03 2387 T= 5973. E= 0.68590252E+03 F= 0.63648761E+03 E0= 0.66669943E+03 EK= 0.49415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363413646614E+03 0.63156E+00 -0.15477E-01 8484 0.222E+01 0.242E-01 RMM: 2 -0.363425593450E+03 -0.11947E-01 -0.87769E-02 5293 0.667E-01 0.870E-01 RMM: 3 -0.363419963851E+03 0.56296E-02 -0.68739E-03 5591 0.180E-01 0.194E-01 RMM: 4 -0.363419974904E+03 -0.11052E-04 -0.88367E-04 4651 0.712E-02 0.225E-01 RMM: 5 -0.363419716829E+03 0.25807E-03 -0.32955E-04 4188 0.491E-02 0.139E-01 RMM: 6 -0.363419639350E+03 0.77479E-04 -0.13385E-04 3876 0.315E-02 0.875E-02 RMM: 7 -0.363419678674E+03 -0.39323E-04 -0.78992E-05 3603 0.250E-02 0.116E-01 RMM: 8 -0.363419593639E+03 0.85034E-04 -0.39976E-05 3150 0.198E-02 0.249E-02 RMM: 9 -0.363419596965E+03 -0.33251E-05 -0.10160E-05 2465 0.886E-03 2388 T= 5761. E= 0.68501667E+03 F= 0.63735601E+03 E0= 0.66763413E+03 EK= 0.47661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362830832525E+03 0.58876E+00 -0.14783E-01 8376 0.220E+01 0.237E-01 RMM: 2 -0.362841098382E+03 -0.10266E-01 -0.77831E-02 5311 0.628E-01 0.815E-01 RMM: 3 -0.362836315682E+03 0.47827E-02 -0.59852E-03 5691 0.164E-01 0.184E-01 RMM: 4 -0.362836388149E+03 -0.72467E-04 -0.84048E-04 4643 0.704E-02 0.243E-01 RMM: 5 -0.362836049638E+03 0.33851E-03 -0.32583E-04 4095 0.493E-02 0.114E-01 RMM: 6 -0.362836004836E+03 0.44802E-04 -0.10233E-04 3792 0.280E-02 0.801E-02 RMM: 7 -0.362836038735E+03 -0.33899E-04 -0.61153E-05 3415 0.217E-02 0.109E-01 RMM: 8 -0.362835965672E+03 0.73063E-04 -0.35639E-05 3038 0.191E-02 0.247E-02 RMM: 9 -0.362835967114E+03 -0.14420E-05 -0.81477E-06 2449 0.776E-03 2389 T= 5762. E= 0.68584615E+03 F= 0.63817871E+03 E0= 0.66851636E+03 EK= 0.47667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362287774175E+03 0.54819E+00 -0.15255E-01 8532 0.222E+01 0.243E-01 RMM: 2 -0.362296578188E+03 -0.88040E-02 -0.70544E-02 5380 0.601E-01 0.741E-01 RMM: 3 -0.362292524418E+03 0.40538E-02 -0.53195E-03 5601 0.158E-01 0.178E-01 RMM: 4 -0.362292770490E+03 -0.24607E-03 -0.87486E-04 4626 0.715E-02 0.280E-01 RMM: 5 -0.362292299751E+03 0.47074E-03 -0.29666E-04 3918 0.447E-02 0.113E-01 RMM: 6 -0.362292243767E+03 0.55984E-04 -0.87364E-05 3658 0.265E-02 0.682E-02 RMM: 7 -0.362292285573E+03 -0.41806E-04 -0.55728E-05 3330 0.203E-02 0.107E-01 RMM: 8 -0.362292214716E+03 0.70857E-04 -0.33810E-05 2955 0.187E-02 0.220E-02 RMM: 9 -0.362292217313E+03 -0.25974E-05 -0.95135E-06 2457 0.846E-03 2390 T= 5979. E= 0.68841711E+03 F= 0.63895374E+03 E0= 0.66934167E+03 EK= 0.49463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361750165825E+03 0.54205E+00 -0.15711E-01 8484 0.229E+01 0.247E-01 RMM: 2 -0.361758945237E+03 -0.87794E-02 -0.70669E-02 5387 0.611E-01 0.758E-01 RMM: 3 -0.361754984775E+03 0.39605E-02 -0.52709E-03 5620 0.154E-01 0.189E-01 RMM: 4 -0.361755249041E+03 -0.26427E-03 -0.93703E-04 4631 0.744E-02 0.297E-01 RMM: 5 -0.361754690130E+03 0.55891E-03 -0.33271E-04 3927 0.477E-02 0.853E-02 RMM: 6 -0.361754662591E+03 0.27539E-04 -0.58692E-05 3363 0.221E-02 0.626E-02 RMM: 7 -0.361754685052E+03 -0.22461E-04 -0.45077E-05 3095 0.186E-02 0.893E-02 RMM: 8 -0.361754636045E+03 0.49007E-04 -0.31844E-05 2863 0.181E-02 0.225E-02 RMM: 9 -0.361754639531E+03 -0.34864E-05 -0.92925E-06 2451 0.836E-03 2391 T= 6361. E= 0.69233268E+03 F= 0.63971187E+03 E0= 0.67013791E+03 EK= 0.52621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361165357301E+03 0.58928E+00 -0.16863E-01 8412 0.236E+01 0.261E-01 RMM: 2 -0.361174594434E+03 -0.92371E-02 -0.77386E-02 5349 0.656E-01 0.763E-01 RMM: 3 -0.361170670697E+03 0.39237E-02 -0.64337E-03 5652 0.170E-01 0.182E-01 RMM: 4 -0.361171010189E+03 -0.33949E-03 -0.94141E-04 4629 0.737E-02 0.314E-01 RMM: 5 -0.361170384203E+03 0.62599E-03 -0.32651E-04 3929 0.466E-02 0.988E-02 RMM: 6 -0.361170334458E+03 0.49745E-04 -0.67371E-05 3447 0.233E-02 0.559E-02 RMM: 7 -0.361170361877E+03 -0.27419E-04 -0.44297E-05 3090 0.182E-02 0.917E-02 RMM: 8 -0.361170310193E+03 0.51685E-04 -0.33301E-05 2843 0.181E-02 0.244E-02 RMM: 9 -0.361170315063E+03 -0.48702E-05 -0.12258E-05 2469 0.976E-03 2392 T= 6791. E= 0.69668268E+03 F= 0.64050523E+03 E0= 0.67095603E+03 EK= 0.56177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360480535247E+03 0.68977E+00 -0.17623E-01 8220 0.243E+01 0.262E-01 RMM: 2 -0.360491387072E+03 -0.10852E-01 -0.84038E-02 5262 0.690E-01 0.854E-01 RMM: 3 -0.360486575115E+03 0.48120E-02 -0.72556E-03 5664 0.178E-01 0.188E-01 RMM: 4 -0.360486861660E+03 -0.28654E-03 -0.10562E-03 4677 0.795E-02 0.309E-01 RMM: 5 -0.360486253345E+03 0.60831E-03 -0.36004E-04 4033 0.495E-02 0.943E-02 RMM: 6 -0.360486206997E+03 0.46349E-04 -0.56855E-05 3331 0.216E-02 0.531E-02 RMM: 7 -0.360486231227E+03 -0.24230E-04 -0.47125E-05 3138 0.187E-02 0.882E-02 RMM: 8 -0.360486184027E+03 0.47199E-04 -0.32913E-05 2832 0.178E-02 0.273E-02 RMM: 9 -0.360486188038E+03 -0.40106E-05 -0.13293E-05 2470 0.102E-02 2393 T= 7102. E= 0.70014400E+03 F= 0.64138845E+03 E0= 0.67184962E+03 EK= 0.58756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359667035635E+03 0.81915E+00 -0.18482E-01 7776 0.247E+01 0.259E-01 RMM: 2 -0.359679393599E+03 -0.12358E-01 -0.94780E-02 5120 0.732E-01 0.885E-01 RMM: 3 -0.359674091358E+03 0.53022E-02 -0.90439E-03 5666 0.199E-01 0.178E-01 RMM: 4 -0.359674362244E+03 -0.27089E-03 -0.10220E-03 4745 0.775E-02 0.301E-01 RMM: 5 -0.359673808769E+03 0.55347E-03 -0.30685E-04 3997 0.452E-02 0.113E-01 RMM: 6 -0.359673740860E+03 0.67909E-04 -0.81146E-05 3565 0.254E-02 0.567E-02 RMM: 7 -0.359673777328E+03 -0.36468E-04 -0.58365E-05 3361 0.204E-02 0.997E-02 RMM: 8 -0.359673715325E+03 0.62003E-04 -0.38154E-05 2967 0.190E-02 0.263E-02 RMM: 9 -0.359673718332E+03 -0.30067E-05 -0.12876E-05 2471 0.100E-02 2394 T= 7151. E= 0.70155398E+03 F= 0.64239333E+03 E0= 0.67285281E+03 EK= 0.59161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358748767213E+03 0.92495E+00 -0.18644E-01 7788 0.245E+01 0.248E-01 RMM: 2 -0.358761863332E+03 -0.13096E-01 -0.89017E-02 5210 0.700E-01 0.976E-01 RMM: 3 -0.358755331576E+03 0.65318E-02 -0.78676E-03 5598 0.190E-01 0.179E-01 RMM: 4 -0.358755489032E+03 -0.15746E-03 -0.92334E-04 4715 0.732E-02 0.262E-01 RMM: 5 -0.358755084562E+03 0.40447E-03 -0.26686E-04 3936 0.432E-02 0.118E-01 RMM: 6 -0.358755011790E+03 0.72771E-04 -0.89581E-05 3646 0.268E-02 0.623E-02 RMM: 7 -0.358755063355E+03 -0.51565E-04 -0.71828E-05 3597 0.226E-02 0.112E-01 RMM: 8 -0.358754984807E+03 0.78548E-04 -0.39955E-05 3078 0.194E-02 0.271E-02 RMM: 9 -0.358754985137E+03 -0.32981E-06 -0.10798E-05 2464 0.915E-03 2395 T= 6912. E= 0.70068015E+03 F= 0.64350161E+03 E0= 0.67395074E+03 EK= 0.57179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357796387195E+03 0.95860E+00 -0.17902E-01 7632 0.240E+01 0.236E-01 RMM: 2 -0.357809520998E+03 -0.13134E-01 -0.88996E-02 5226 0.702E-01 0.968E-01 RMM: 3 -0.357803105293E+03 0.64157E-02 -0.77575E-03 5540 0.188E-01 0.181E-01 RMM: 4 -0.357803129390E+03 -0.24097E-04 -0.80681E-04 4688 0.680E-02 0.220E-01 RMM: 5 -0.357802854333E+03 0.27506E-03 -0.23167E-04 3913 0.405E-02 0.121E-01 RMM: 6 -0.357802793924E+03 0.60409E-04 -0.11474E-04 3867 0.299E-02 0.778E-02 RMM: 7 -0.357802846731E+03 -0.52807E-04 -0.81223E-05 3693 0.243E-02 0.121E-01 RMM: 8 -0.357802753570E+03 0.93161E-04 -0.43284E-05 3149 0.202E-02 0.255E-02 RMM: 9 -0.357802754201E+03 -0.63019E-06 -0.10343E-05 2464 0.881E-03 2396 T= 6497. E= 0.69839206E+03 F= 0.64464360E+03 E0= 0.67507933E+03 EK= 0.53748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356909734685E+03 0.89302E+00 -0.16724E-01 7452 0.232E+01 0.237E-01 RMM: 2 -0.356922822813E+03 -0.13088E-01 -0.83537E-02 5320 0.686E-01 0.101E+00 RMM: 3 -0.356916046465E+03 0.67763E-02 -0.73177E-03 5585 0.181E-01 0.193E-01 RMM: 4 -0.356915935714E+03 0.11075E-03 -0.75014E-04 4630 0.648E-02 0.188E-01 RMM: 5 -0.356915734292E+03 0.20142E-03 -0.22961E-04 3902 0.417E-02 0.113E-01 RMM: 6 -0.356915696776E+03 0.37516E-04 -0.11338E-04 3851 0.295E-02 0.884E-02 RMM: 7 -0.356915732197E+03 -0.35421E-04 -0.75281E-05 3625 0.238E-02 0.117E-01 RMM: 8 -0.356915646127E+03 0.86070E-04 -0.39470E-05 3086 0.194E-02 0.260E-02 RMM: 9 -0.356915647078E+03 -0.95110E-06 -0.10508E-05 2459 0.891E-03 2397 T= 6081. E= 0.69602956E+03 F= 0.64572204E+03 E0= 0.67614532E+03 EK= 0.50308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356184170793E+03 0.73148E+00 -0.15602E-01 7344 0.226E+01 0.236E-01 RMM: 2 -0.356196857230E+03 -0.12686E-01 -0.82998E-02 5282 0.682E-01 0.983E-01 RMM: 3 -0.356190487764E+03 0.63695E-02 -0.75981E-03 5523 0.182E-01 0.205E-01 RMM: 4 -0.356190311706E+03 0.17606E-03 -0.75908E-04 4621 0.645E-02 0.170E-01 RMM: 5 -0.356190167704E+03 0.14400E-03 -0.23350E-04 3918 0.414E-02 0.126E-01 RMM: 6 -0.356190104639E+03 0.63065E-04 -0.12217E-04 3874 0.308E-02 0.832E-02 RMM: 7 -0.356190158675E+03 -0.54036E-04 -0.86907E-05 3770 0.253E-02 0.122E-01 RMM: 8 -0.356190062618E+03 0.96057E-04 -0.42860E-05 3172 0.200E-02 0.293E-02 RMM: 9 -0.356190061473E+03 0.11450E-05 -0.10716E-05 2466 0.911E-03 2398 T= 5808. E= 0.69468553E+03 F= 0.64663974E+03 E0= 0.67705478E+03 EK= 0.48046E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355693236352E+03 0.49683E+00 -0.15094E-01 7416 0.223E+01 0.230E-01 RMM: 2 -0.355704757709E+03 -0.11521E-01 -0.73223E-02 5247 0.641E-01 0.953E-01 RMM: 3 -0.355698715728E+03 0.60420E-02 -0.68310E-03 5491 0.174E-01 0.180E-01 RMM: 4 -0.355698694901E+03 0.20827E-04 -0.74732E-04 4632 0.648E-02 0.198E-01 RMM: 5 -0.355698460846E+03 0.23405E-03 -0.21708E-04 3893 0.388E-02 0.105E-01 RMM: 6 -0.355698428224E+03 0.32622E-04 -0.10171E-04 3756 0.278E-02 0.816E-02 RMM: 7 -0.355698458544E+03 -0.30320E-04 -0.64089E-05 3448 0.222E-02 0.107E-01 RMM: 8 -0.355698387574E+03 0.70970E-04 -0.36160E-05 3024 0.188E-02 0.265E-02 RMM: 9 -0.355698387076E+03 0.49798E-06 -0.93618E-06 2452 0.849E-03 2399 T= 5756. E= 0.69494348E+03 F= 0.64732180E+03 E0= 0.67773394E+03 EK= 0.47622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355473794233E+03 0.22459E+00 -0.15124E-01 7524 0.225E+01 0.238E-01 RMM: 2 -0.355484219955E+03 -0.10426E-01 -0.65640E-02 5255 0.617E-01 0.944E-01 RMM: 3 -0.355478443601E+03 0.57764E-02 -0.62567E-03 5434 0.173E-01 0.190E-01 RMM: 4 -0.355478445673E+03 -0.20722E-05 -0.80795E-04 4617 0.673E-02 0.205E-01 RMM: 5 -0.355478242553E+03 0.20312E-03 -0.20089E-04 3885 0.355E-02 0.133E-01 RMM: 6 -0.355478140479E+03 0.10207E-03 -0.84338E-05 3609 0.264E-02 0.518E-02 RMM: 7 -0.355478187200E+03 -0.46721E-04 -0.59735E-05 3365 0.212E-02 0.100E-01 RMM: 8 -0.355478124369E+03 0.62830E-04 -0.31580E-05 2885 0.181E-02 0.240E-02 RMM: 9 -0.355478123829E+03 0.54036E-06 -0.90839E-06 2452 0.830E-03 2400 T= 5946. E= 0.69691873E+03 F= 0.64772751E+03 E0= 0.67814244E+03 EK= 0.49191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355525945136E+03 -0.47821E-01 -0.16088E-01 7776 0.231E+01 0.232E-01 RMM: 2 -0.355534935845E+03 -0.89907E-02 -0.67574E-02 5231 0.624E-01 0.797E-01 RMM: 3 -0.355530840561E+03 0.40953E-02 -0.62643E-03 5502 0.165E-01 0.174E-01 RMM: 4 -0.355531020753E+03 -0.18019E-03 -0.80288E-04 4622 0.683E-02 0.257E-01 RMM: 5 -0.355530607763E+03 0.41299E-03 -0.21986E-04 3889 0.365E-02 0.933E-02 RMM: 6 -0.355530560677E+03 0.47086E-04 -0.55846E-05 3315 0.215E-02 0.474E-02 RMM: 7 -0.355530586625E+03 -0.25948E-04 -0.39228E-05 2956 0.177E-02 0.825E-02 RMM: 8 -0.355530544592E+03 0.42032E-04 -0.28636E-05 2656 0.166E-02 0.225E-02 RMM: 9 -0.355530545402E+03 -0.80956E-06 -0.91878E-06 2446 0.846E-03 2401 T= 6336. E= 0.70026768E+03 F= 0.64785305E+03 E0= 0.67827553E+03 EK= 0.52415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355814631431E+03 -0.28409E+00 -0.17170E-01 7908 0.239E+01 0.249E-01 RMM: 2 -0.355823717410E+03 -0.90860E-02 -0.71567E-02 5283 0.656E-01 0.800E-01 RMM: 3 -0.355819675969E+03 0.40414E-02 -0.65944E-03 5519 0.172E-01 0.176E-01 RMM: 4 -0.355819924173E+03 -0.24820E-03 -0.89176E-04 4620 0.720E-02 0.281E-01 RMM: 5 -0.355819439339E+03 0.48483E-03 -0.25578E-04 3901 0.398E-02 0.107E-01 RMM: 6 -0.355819371657E+03 0.67682E-04 -0.55439E-05 3310 0.216E-02 0.416E-02 RMM: 7 -0.355819390603E+03 -0.18946E-04 -0.36556E-05 2866 0.171E-02 2402 T= 6811. E= 0.70407903E+03 F= 0.64773378E+03 E0= 0.67816687E+03 EK= 0.56345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356267394307E+03 -0.44802E+00 -0.18433E-01 8004 0.247E+01 0.255E-01 RMM: 2 -0.356277262914E+03 -0.98686E-02 -0.80337E-02 5211 0.693E-01 0.798E-01 RMM: 3 -0.356273366324E+03 0.38966E-02 -0.79291E-03 5549 0.188E-01 0.198E-01 RMM: 4 -0.356273597973E+03 -0.23165E-03 -0.93087E-04 4617 0.724E-02 0.293E-01 RMM: 5 -0.356273036499E+03 0.56147E-03 -0.27703E-04 3930 0.423E-02 0.767E-02 RMM: 6 -0.356273007969E+03 0.28529E-04 -0.45920E-05 3153 0.198E-02 0.483E-02 RMM: 7 -0.356273022518E+03 -0.14548E-04 -0.33537E-05 2667 0.163E-02 2403 T= 7189. E= 0.70691122E+03 F= 0.64744247E+03 E0= 0.67788702E+03 EK= 0.59469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356800827540E+03 -0.52782E+00 -0.18943E-01 8028 0.252E+01 0.250E-01 RMM: 2 -0.356812268879E+03 -0.11441E-01 -0.89076E-02 5143 0.715E-01 0.848E-01 RMM: 3 -0.356807545566E+03 0.47233E-02 -0.85706E-03 5542 0.194E-01 0.197E-01 RMM: 4 -0.356807713376E+03 -0.16781E-03 -0.10374E-03 4703 0.774E-02 0.275E-01 RMM: 5 -0.356807269899E+03 0.44348E-03 -0.28492E-04 3932 0.428E-02 0.119E-01 RMM: 6 -0.356807182391E+03 0.87508E-04 -0.68411E-05 3464 0.238E-02 0.400E-02 RMM: 7 -0.356807196975E+03 -0.14585E-04 -0.35252E-05 2836 0.168E-02 2404 T= 7290. E= 0.70737134E+03 F= 0.64706614E+03 E0= 0.67752058E+03 EK= 0.60305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357350320327E+03 -0.54314E+00 -0.18617E-01 7860 0.251E+01 0.271E-01 RMM: 2 -0.357366075278E+03 -0.15755E-01 -0.93467E-02 5034 0.733E-01 0.118E+00 RMM: 3 -0.357357337581E+03 0.87377E-02 -0.10370E-02 5474 0.222E-01 0.217E-01 RMM: 4 -0.357357332224E+03 0.53575E-05 -0.11621E-03 4717 0.789E-02 0.236E-01 RMM: 5 -0.357357038404E+03 0.29382E-03 -0.25029E-04 3900 0.397E-02 0.129E-01 RMM: 6 -0.357356937949E+03 0.10046E-03 -0.84216E-05 3585 0.265E-02 0.453E-02 RMM: 7 -0.357356971159E+03 -0.33210E-04 -0.44692E-05 3097 0.182E-02 0.900E-02 RMM: 8 -0.357356927258E+03 0.43901E-04 -0.38475E-05 2768 0.189E-02 0.382E-02 RMM: 9 -0.357356921380E+03 0.58775E-05 -0.13979E-05 2472 0.108E-02 2405 T= 7058. E= 0.70506305E+03 F= 0.64667329E+03 E0= 0.67713438E+03 EK= 0.58390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357891543473E+03 -0.53462E+00 -0.18183E-01 7860 0.245E+01 0.209E-01 RMM: 2 -0.357902447042E+03 -0.10904E-01 -0.92745E-02 4974 0.700E-01 0.710E-01 RMM: 3 -0.357898753185E+03 0.36939E-02 -0.84550E-03 5560 0.192E-01 0.163E-01 RMM: 4 -0.357898935760E+03 -0.18257E-03 -0.79618E-04 4657 0.677E-02 0.254E-01 RMM: 5 -0.357898535912E+03 0.39985E-03 -0.23732E-04 3921 0.405E-02 0.929E-02 RMM: 6 -0.357898492514E+03 0.43398E-04 -0.77109E-05 3547 0.251E-02 0.528E-02 RMM: 7 -0.357898522307E+03 -0.29792E-04 -0.49515E-05 3161 0.197E-02 0.902E-02 RMM: 8 -0.357898473172E+03 0.49135E-04 -0.29388E-05 2675 0.171E-02 0.233E-02 RMM: 9 -0.357898473165E+03 0.65356E-08 -0.93794E-06 2439 0.839E-03 2406 T= 6605. E= 0.70092982E+03 F= 0.64629068E+03 E0= 0.67675519E+03 EK= 0.54639E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358447988255E+03 -0.54952E+00 -0.16899E-01 7956 0.237E+01 0.241E-01 RMM: 2 -0.358461939749E+03 -0.13951E-01 -0.89367E-02 5070 0.703E-01 0.104E+00 RMM: 3 -0.358454779754E+03 0.71600E-02 -0.90749E-03 5615 0.199E-01 0.179E-01 RMM: 4 -0.358454710514E+03 0.69240E-04 -0.84512E-04 4629 0.678E-02 0.194E-01 RMM: 5 -0.358454519158E+03 0.19136E-03 -0.21562E-04 3896 0.390E-02 0.119E-01 RMM: 6 -0.358454451425E+03 0.67734E-04 -0.97391E-05 3749 0.280E-02 0.639E-02 RMM: 7 -0.358454496856E+03 -0.45431E-04 -0.64124E-05 3427 0.219E-02 0.106E-01 RMM: 8 -0.358454429158E+03 0.67698E-04 -0.36341E-05 2997 0.191E-02 0.327E-02 RMM: 9 -0.358454425286E+03 0.38714E-05 -0.10443E-05 2459 0.916E-03 2407 T= 6123. E= 0.69654969E+03 F= 0.64589732E+03 E0= 0.67636303E+03 EK= 0.50652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359064790127E+03 -0.61036E+00 -0.16305E-01 7896 0.229E+01 0.230E-01 RMM: 2 -0.359078486327E+03 -0.13696E-01 -0.93601E-02 5086 0.713E-01 0.976E-01 RMM: 3 -0.359072021316E+03 0.64650E-02 -0.92662E-03 5638 0.196E-01 0.179E-01 RMM: 4 -0.359071932494E+03 0.88822E-04 -0.79537E-04 4658 0.654E-02 0.186E-01 RMM: 5 -0.359071734225E+03 0.19827E-03 -0.21203E-04 3894 0.389E-02 0.103E-01 RMM: 6 -0.359071696789E+03 0.37436E-04 -0.98413E-05 3713 0.277E-02 0.733E-02 RMM: 7 -0.359071736261E+03 -0.39472E-04 -0.60531E-05 3366 0.216E-02 0.108E-01 RMM: 8 -0.359071665654E+03 0.70607E-04 -0.34082E-05 2967 0.185E-02 0.276E-02 RMM: 9 -0.359071664756E+03 0.89781E-06 -0.97111E-06 2455 0.860E-03 2408 T= 5776. E= 0.69323043E+03 F= 0.64544585E+03 E0= 0.67591189E+03 EK= 0.47785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359789640181E+03 -0.71797E+00 -0.15207E-01 7968 0.225E+01 0.222E-01 RMM: 2 -0.359801740328E+03 -0.12100E-01 -0.79645E-02 5190 0.650E-01 0.955E-01 RMM: 3 -0.359795598962E+03 0.61414E-02 -0.75022E-03 5650 0.177E-01 0.162E-01 RMM: 4 -0.359795587061E+03 0.11902E-04 -0.75503E-04 4631 0.648E-02 0.193E-01 RMM: 5 -0.359795382405E+03 0.20466E-03 -0.18932E-04 3889 0.352E-02 0.112E-01 RMM: 6 -0.359795323346E+03 0.59059E-04 -0.84854E-05 3623 0.259E-02 0.634E-02 RMM: 7 -0.359795362404E+03 -0.39058E-04 -0.61303E-05 3406 0.217E-02 0.100E-01 RMM: 8 -0.359795298917E+03 0.63486E-04 -0.33745E-05 2966 0.183E-02 0.249E-02 RMM: 9 -0.359795298199E+03 0.71824E-06 -0.92536E-06 2449 0.838E-03 2409 T= 5655. E= 0.69167005E+03 F= 0.64488886E+03 E0= 0.67535562E+03 EK= 0.46781E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360647372587E+03 -0.85207E+00 -0.14817E-01 8028 0.226E+01 0.220E-01 RMM: 2 -0.360658046293E+03 -0.10674E-01 -0.74224E-02 5192 0.625E-01 0.882E-01 RMM: 3 -0.360652896172E+03 0.51501E-02 -0.71402E-03 5627 0.173E-01 0.170E-01 RMM: 4 -0.360652925371E+03 -0.29199E-04 -0.73726E-04 4622 0.630E-02 0.210E-01 RMM: 5 -0.360652656166E+03 0.26921E-03 -0.18086E-04 3884 0.334E-02 0.909E-02 RMM: 6 -0.360652617932E+03 0.38234E-04 -0.58367E-05 3344 0.219E-02 0.551E-02 RMM: 7 -0.360652650185E+03 -0.32252E-04 -0.46098E-05 3131 0.189E-02 0.919E-02 RMM: 8 -0.360652598909E+03 0.51275E-04 -0.28647E-05 2745 0.171E-02 0.229E-02 RMM: 9 -0.360652598043E+03 0.86670E-06 -0.77553E-06 2442 0.753E-03 2410 T= 5784. E= 0.69204786E+03 F= 0.64419573E+03 E0= 0.67466470E+03 EK= 0.47852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361636842838E+03 -0.98424E+00 -0.15556E-01 8196 0.230E+01 0.226E-01 RMM: 2 -0.361646320134E+03 -0.94773E-02 -0.71162E-02 5282 0.610E-01 0.807E-01 RMM: 3 -0.361641973736E+03 0.43464E-02 -0.64265E-03 5679 0.163E-01 0.159E-01 RMM: 4 -0.361642113758E+03 -0.14002E-03 -0.76013E-04 4617 0.651E-02 0.241E-01 RMM: 5 -0.361641776742E+03 0.33702E-03 -0.19456E-04 3886 0.339E-02 0.110E-01 RMM: 6 -0.361641705775E+03 0.70967E-04 -0.63032E-05 3408 0.228E-02 0.422E-02 RMM: 7 -0.361641737114E+03 -0.31339E-04 -0.37885E-05 2949 0.172E-02 0.851E-02 RMM: 8 -0.361641692980E+03 0.44134E-04 -0.28822E-05 2620 0.163E-02 0.250E-02 RMM: 9 -0.361641692092E+03 0.88767E-06 -0.93572E-06 2449 0.846E-03 2411 T= 6135. E= 0.69411694E+03 F= 0.64336529E+03 E0= 0.67383808E+03 EK= 0.50752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362719260095E+03 -0.10776E+01 -0.16620E-01 8544 0.238E+01 0.232E-01 RMM: 2 -0.362729174654E+03 -0.99146E-02 -0.74181E-02 5330 0.618E-01 0.824E-01 RMM: 3 -0.362724580656E+03 0.45940E-02 -0.62151E-03 5600 0.163E-01 0.168E-01 RMM: 4 -0.362724817551E+03 -0.23689E-03 -0.85109E-04 4612 0.690E-02 0.271E-01 RMM: 5 -0.362724360944E+03 0.45661E-03 -0.23981E-04 3880 0.386E-02 0.890E-02 RMM: 6 -0.362724312253E+03 0.48691E-04 -0.36794E-05 3019 0.179E-02 0.376E-02 RMM: 7 -0.362724324808E+03 -0.12555E-04 -0.30966E-05 2669 0.157E-02 2412 T= 6611. E= 0.69712656E+03 F= 0.64243407E+03 E0= 0.67291247E+03 EK= 0.54692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363820021204E+03 -0.10957E+01 -0.18094E-01 8520 0.246E+01 0.239E-01 RMM: 2 -0.363830090482E+03 -0.10069E-01 -0.84535E-02 5316 0.660E-01 0.746E-01 RMM: 3 -0.363826352899E+03 0.37376E-02 -0.70895E-03 5662 0.170E-01 0.199E-01 RMM: 4 -0.363826503943E+03 -0.15104E-03 -0.87942E-04 4628 0.698E-02 0.273E-01 RMM: 5 -0.363826013444E+03 0.49050E-03 -0.25371E-04 3892 0.401E-02 0.706E-02 RMM: 6 -0.363825988288E+03 0.25156E-04 -0.37461E-05 3041 0.179E-02 0.439E-02 RMM: 7 -0.363825999363E+03 -0.11075E-04 -0.29119E-05 2597 0.148E-02 2413 T= 7046. E= 0.69976673E+03 F= 0.64147673E+03 E0= 0.67196201E+03 EK= 0.58290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364848393928E+03 -0.10224E+01 -0.19749E-01 8316 0.252E+01 0.252E-01 RMM: 2 -0.364860901187E+03 -0.12507E-01 -0.94266E-02 5333 0.694E-01 0.903E-01 RMM: 3 -0.364855358479E+03 0.55427E-02 -0.79351E-03 5652 0.182E-01 0.194E-01 RMM: 4 -0.364855498957E+03 -0.14048E-03 -0.10198E-03 4633 0.752E-02 0.272E-01 RMM: 5 -0.364855056776E+03 0.44218E-03 -0.26973E-04 3887 0.416E-02 0.105E-01 RMM: 6 -0.364854986644E+03 0.70132E-04 -0.52846E-05 3270 0.212E-02 0.374E-02 RMM: 7 -0.364854998544E+03 -0.11900E-04 -0.25933E-05 2570 0.143E-02 2414 T= 7249. E= 0.70055145E+03 F= 0.64058683E+03 E0= 0.67108001E+03 EK= 0.59965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365729904333E+03 -0.87492E+00 -0.20138E-01 8220 0.252E+01 0.247E-01 RMM: 2 -0.365743492461E+03 -0.13588E-01 -0.97615E-02 5337 0.693E-01 0.947E-01 RMM: 3 -0.365737134175E+03 0.63583E-02 -0.80304E-03 5605 0.187E-01 0.198E-01 RMM: 4 -0.365737165231E+03 -0.31056E-04 -0.95793E-04 4649 0.711E-02 0.234E-01 RMM: 5 -0.365736836591E+03 0.32864E-03 -0.21451E-04 3883 0.365E-02 0.993E-02 RMM: 6 -0.365736779474E+03 0.57117E-04 -0.54777E-05 3294 0.215E-02 0.429E-02 RMM: 7 -0.365736806555E+03 -0.27082E-04 -0.35203E-05 2835 0.162E-02 0.847E-02 RMM: 8 -0.365736765323E+03 0.41232E-04 -0.36957E-05 2792 0.181E-02 0.279E-02 RMM: 9 -0.365736765555E+03 -0.23154E-06 -0.12136E-05 2458 0.100E-02 2415 T= 7117. E= 0.69871623E+03 F= 0.63984169E+03 E0= 0.67034345E+03 EK= 0.58875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366437329221E+03 -0.70056E+00 -0.20489E-01 8268 0.247E+01 0.202E-01 RMM: 2 -0.366449028164E+03 -0.11699E-01 -0.10026E-01 5260 0.679E-01 0.702E-01 RMM: 3 -0.366445023970E+03 0.40042E-02 -0.72859E-03 5758 0.170E-01 0.146E-01 RMM: 4 -0.366445137957E+03 -0.11399E-03 -0.76133E-04 4657 0.653E-02 0.235E-01 RMM: 5 -0.366444805230E+03 0.33273E-03 -0.22472E-04 3889 0.390E-02 0.816E-02 RMM: 6 -0.366444773241E+03 0.31989E-04 -0.52916E-05 3262 0.212E-02 0.496E-02 RMM: 7 -0.366444797697E+03 -0.24457E-04 -0.37131E-05 2847 0.170E-02 0.840E-02 RMM: 8 -0.366444755658E+03 0.42039E-04 -0.26298E-05 2579 0.159E-02 0.195E-02 RMM: 9 -0.366444757117E+03 -0.14585E-05 -0.83507E-06 2441 0.779E-03 2416 T= 6715. E= 0.69482534E+03 F= 0.63927047E+03 E0= 0.66978165E+03 EK= 0.55555E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366995444870E+03 -0.55069E+00 -0.19331E-01 8376 0.239E+01 0.187E-01 RMM: 2 -0.367006830280E+03 -0.11385E-01 -0.96234E-02 5281 0.666E-01 0.685E-01 RMM: 3 -0.367002916115E+03 0.39142E-02 -0.72457E-03 5839 0.168E-01 0.145E-01 RMM: 4 -0.367002868623E+03 0.47492E-04 -0.61451E-04 4648 0.583E-02 0.176E-01 RMM: 5 -0.367002678749E+03 0.18987E-03 -0.17669E-04 3888 0.359E-02 0.735E-02 RMM: 6 -0.367002677425E+03 0.13244E-05 -0.54388E-05 3291 0.209E-02 2417 T= 6224. E= 0.69034374E+03 F= 0.63885098E+03 E0= 0.66937313E+03 EK= 0.51493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367451271641E+03 -0.44859E+00 -0.18622E-01 8604 0.231E+01 0.265E-01 RMM: 2 -0.367471602303E+03 -0.20331E-01 -0.99447E-02 5229 0.691E-01 0.138E+00 RMM: 3 -0.367458785056E+03 0.12817E-01 -0.10058E-02 5386 0.225E-01 0.226E-01 RMM: 4 -0.367458514629E+03 0.27043E-03 -0.10389E-03 4704 0.661E-02 0.141E-01 RMM: 5 -0.367458456268E+03 0.58361E-04 -0.23789E-04 3915 0.420E-02 0.127E-01 RMM: 6 -0.367458382382E+03 0.73886E-04 -0.11890E-04 3871 0.299E-02 0.740E-02 RMM: 7 -0.367458456176E+03 -0.73794E-04 -0.88895E-05 3762 0.255E-02 0.126E-01 RMM: 8 -0.367458360413E+03 0.95763E-04 -0.48627E-05 3244 0.212E-02 0.371E-02 RMM: 9 -0.367458359166E+03 0.12467E-05 -0.14857E-05 2491 0.109E-02 2418 T= 5822. E= 0.68669715E+03 F= 0.63853521E+03 E0= 0.66907027E+03 EK= 0.48162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367848734860E+03 -0.39037E+00 -0.17862E-01 8760 0.225E+01 0.245E-01 RMM: 2 -0.367866366079E+03 -0.17631E-01 -0.93250E-02 5246 0.653E-01 0.124E+00 RMM: 3 -0.367855622208E+03 0.10744E-01 -0.85643E-03 5372 0.211E-01 0.237E-01 RMM: 4 -0.367855338541E+03 0.28367E-03 -0.10871E-03 4672 0.703E-02 0.144E-01 RMM: 5 -0.367855281035E+03 0.57507E-04 -0.20882E-04 3881 0.391E-02 0.126E-01 RMM: 6 -0.367855179864E+03 0.10117E-03 -0.72943E-05 3520 0.247E-02 0.390E-02 RMM: 7 -0.367855211033E+03 -0.31169E-04 -0.37669E-05 2973 0.176E-02 0.817E-02 RMM: 8 -0.367855172578E+03 0.38455E-04 -0.24310E-05 2568 0.163E-02 0.247E-02 RMM: 9 -0.367855170000E+03 0.25782E-05 -0.62161E-06 2437 0.716E-03 2419 T= 5618. E= 0.68475766E+03 F= 0.63827791E+03 E0= 0.66882840E+03 EK= 0.46480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368203693617E+03 -0.34852E+00 -0.18552E-01 8724 0.223E+01 0.206E-01 RMM: 2 -0.368218031236E+03 -0.14338E-01 -0.99558E-02 5191 0.670E-01 0.936E-01 RMM: 3 -0.368211551936E+03 0.64793E-02 -0.83975E-03 5548 0.188E-01 0.159E-01 RMM: 4 -0.368211497582E+03 0.54354E-04 -0.78980E-04 4660 0.621E-02 0.166E-01 RMM: 5 -0.368211348900E+03 0.14868E-03 -0.18360E-04 3884 0.349E-02 0.957E-02 RMM: 6 -0.368211308891E+03 0.40010E-04 -0.60371E-05 3365 0.219E-02 0.616E-02 RMM: 7 -0.368211336965E+03 -0.28074E-04 -0.54814E-05 3338 0.207E-02 0.906E-02 RMM: 8 -0.368211287444E+03 0.49521E-04 -0.27736E-05 2811 0.168E-02 0.230E-02 RMM: 9 -0.368211288836E+03 -0.13918E-05 -0.94576E-06 2447 0.842E-03 2420 T= 5657. E= 0.68486069E+03 F= 0.63805800E+03 E0= 0.66862644E+03 EK= 0.46803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368504563800E+03 -0.29328E+00 -0.19506E-01 8892 0.226E+01 0.200E-01 RMM: 2 -0.368517037517E+03 -0.12474E-01 -0.96867E-02 5265 0.652E-01 0.799E-01 RMM: 3 -0.368511994426E+03 0.50431E-02 -0.77483E-03 5659 0.177E-01 0.137E-01 RMM: 4 -0.368512107706E+03 -0.11328E-03 -0.75532E-04 4666 0.613E-02 0.217E-01 RMM: 5 -0.368511853881E+03 0.25382E-03 -0.18643E-04 3882 0.347E-02 0.911E-02 RMM: 6 -0.368511802861E+03 0.51020E-04 -0.43950E-05 3142 0.197E-02 0.349E-02 RMM: 7 -0.368511821578E+03 -0.18717E-04 -0.26484E-05 2565 0.151E-02 2421 T= 5929. E= 0.68693416E+03 F= 0.63788753E+03 E0= 0.66847538E+03 EK= 0.49047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368697884078E+03 -0.18608E+00 -0.21970E-01 9012 0.233E+01 0.198E-01 RMM: 2 -0.368710833312E+03 -0.12949E-01 -0.11647E-01 5285 0.707E-01 0.639E-01 RMM: 3 -0.368707105715E+03 0.37276E-02 -0.89853E-03 5639 0.187E-01 0.153E-01 RMM: 4 -0.368707205890E+03 -0.10018E-03 -0.85148E-04 4683 0.653E-02 0.226E-01 RMM: 5 -0.368706891418E+03 0.31447E-03 -0.22079E-04 3899 0.372E-02 0.676E-02 RMM: 6 -0.368706871538E+03 0.19880E-04 -0.33152E-05 2901 0.169E-02 2422 T= 6366. E= 0.69047732E+03 F= 0.63781455E+03 E0= 0.66842321E+03 EK= 0.52663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368712713916E+03 -0.58225E-02 -0.24422E-01 8940 0.241E+01 0.296E-01 RMM: 2 -0.368736950016E+03 -0.24236E-01 -0.13427E-01 5350 0.768E-01 0.140E+00 RMM: 3 -0.368723207179E+03 0.13743E-01 -0.13115E-02 5403 0.242E-01 0.294E-01 RMM: 4 -0.368722784573E+03 0.42261E-03 -0.16067E-03 4676 0.871E-02 0.179E-01 RMM: 5 -0.368722698312E+03 0.86261E-04 -0.30809E-04 3912 0.425E-02 0.144E-01 RMM: 6 -0.368722565716E+03 0.13260E-03 -0.86414E-05 3642 0.269E-02 0.487E-02 RMM: 7 -0.368722566947E+03 -0.12308E-05 -0.25213E-05 2563 0.146E-02 2423 T= 6833. E= 0.69444125E+03 F= 0.63791263E+03 E0= 0.66854059E+03 EK= 0.56529E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368479422207E+03 0.24314E+00 -0.27476E-01 8916 0.247E+01 0.273E-01 RMM: 2 -0.368504292886E+03 -0.24871E-01 -0.15657E-01 5342 0.814E-01 0.131E+00 RMM: 3 -0.368491822919E+03 0.12470E-01 -0.14100E-02 5363 0.254E-01 0.259E-01 RMM: 4 -0.368491687954E+03 0.13497E-03 -0.17030E-03 4749 0.873E-02 0.213E-01 RMM: 5 -0.368491486647E+03 0.20131E-03 -0.31396E-04 3916 0.422E-02 0.138E-01 RMM: 6 -0.368491365675E+03 0.12097E-03 -0.84175E-05 3620 0.262E-02 0.393E-02 RMM: 7 -0.368491363037E+03 0.26377E-05 -0.17568E-05 2516 0.122E-02 2424 T= 7146. E= 0.69736596E+03 F= 0.63825045E+03 E0= 0.66889467E+03 EK= 0.59116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367975640139E+03 0.51573E+00 -0.29896E-01 9012 0.249E+01 0.277E-01 RMM: 2 -0.368003664913E+03 -0.28025E-01 -0.17962E-01 5317 0.862E-01 0.135E+00 RMM: 3 -0.367989615272E+03 0.14050E-01 -0.14123E-02 5452 0.250E-01 0.249E-01 RMM: 4 -0.367989318653E+03 0.29662E-03 -0.14722E-03 4733 0.814E-02 0.174E-01 RMM: 5 -0.367989200954E+03 0.11770E-03 -0.27155E-04 3910 0.393E-02 0.126E-01 RMM: 6 -0.367989104544E+03 0.96409E-04 -0.81531E-05 3586 0.257E-02 0.507E-02 RMM: 7 -0.367989117192E+03 -0.12647E-04 -0.30775E-05 2694 0.161E-02 2425 T= 7158. E= 0.69807166E+03 F= 0.63885415E+03 E0= 0.66950876E+03 EK= 0.59218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367249406140E+03 0.73970E+00 -0.30134E-01 8880 0.246E+01 0.248E-01 RMM: 2 -0.367274293767E+03 -0.24888E-01 -0.17451E-01 5600 0.820E-01 0.119E+00 RMM: 3 -0.367262934864E+03 0.11359E-01 -0.11751E-02 5373 0.232E-01 0.234E-01 RMM: 4 -0.367262745325E+03 0.18954E-03 -0.12991E-03 4754 0.731E-02 0.165E-01 RMM: 5 -0.367262638942E+03 0.10638E-03 -0.21906E-04 3884 0.354E-02 0.116E-01 RMM: 6 -0.367262561353E+03 0.77589E-04 -0.66935E-05 3415 0.235E-02 0.430E-02 RMM: 7 -0.367262579195E+03 -0.17842E-04 -0.27616E-05 2673 0.156E-02 2426 T= 6866. E= 0.69648227E+03 F= 0.63967910E+03 E0= 0.67033848E+03 EK= 0.56803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366405067738E+03 0.85749E+00 -0.29129E-01 8880 0.238E+01 0.253E-01 RMM: 2 -0.366430699886E+03 -0.25632E-01 -0.17495E-01 5505 0.835E-01 0.124E+00 RMM: 3 -0.366418818542E+03 0.11881E-01 -0.12578E-02 5456 0.237E-01 0.242E-01 RMM: 4 -0.366418481450E+03 0.33709E-03 -0.12508E-03 4734 0.723E-02 0.135E-01 RMM: 5 -0.366418432590E+03 0.48861E-04 -0.21853E-04 3897 0.350E-02 0.120E-01 RMM: 6 -0.366418348964E+03 0.83625E-04 -0.77203E-05 3560 0.250E-02 0.492E-02 RMM: 7 -0.366418383468E+03 -0.34504E-04 -0.39363E-05 2992 0.178E-02 0.904E-02 RMM: 8 -0.366418346467E+03 0.37001E-04 -0.37964E-05 2658 0.185E-02 0.431E-02 RMM: 9 -0.366418340219E+03 0.62487E-05 -0.17839E-05 2483 0.120E-02 2427 T= 6412. E= 0.69366868E+03 F= 0.64062015E+03 E0= 0.67127868E+03 EK= 0.53049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365572624299E+03 0.84572E+00 -0.26444E-01 8892 0.230E+01 0.197E-01 RMM: 2 -0.365592894657E+03 -0.20270E-01 -0.16104E-01 5704 0.776E-01 0.916E-01 RMM: 3 -0.365585050337E+03 0.78443E-02 -0.82385E-03 5394 0.200E-01 0.165E-01 RMM: 4 -0.365585049765E+03 0.57153E-06 -0.92498E-04 4768 0.617E-02 0.181E-01 RMM: 5 -0.365584853432E+03 0.19633E-03 -0.16924E-04 3877 0.336E-02 0.826E-02 RMM: 6 -0.365584818388E+03 0.35044E-04 -0.60749E-05 3348 0.224E-02 0.479E-02 RMM: 7 -0.365584836244E+03 -0.17856E-04 -0.33829E-05 2781 0.176E-02 2428 T= 5985. E= 0.69106005E+03 F= 0.64154922E+03 E0= 0.67220315E+03 EK= 0.49511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364862060629E+03 0.72276E+00 -0.23210E-01 8916 0.223E+01 0.198E-01 RMM: 2 -0.364880636787E+03 -0.18576E-01 -0.14544E-01 5520 0.761E-01 0.916E-01 RMM: 3 -0.364873365931E+03 0.72709E-02 -0.87100E-03 5760 0.190E-01 0.186E-01 RMM: 4 -0.364873122516E+03 0.24342E-03 -0.75258E-04 4739 0.564E-02 0.115E-01 RMM: 5 -0.364873050781E+03 0.71735E-04 -0.11666E-04 3878 0.279E-02 0.814E-02 RMM: 6 -0.364873034117E+03 0.16664E-04 -0.44108E-05 3136 0.189E-02 2429 T= 5726. E= 0.68972254E+03 F= 0.64235456E+03 E0= 0.67300238E+03 EK= 0.47368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364345564427E+03 0.52749E+00 -0.20427E-01 8844 0.221E+01 0.306E-01 RMM: 2 -0.364378337756E+03 -0.32773E-01 -0.12969E-01 5440 0.725E-01 0.183E+00 RMM: 3 -0.364355305880E+03 0.23032E-01 -0.12445E-02 5357 0.254E-01 0.325E-01 RMM: 4 -0.364354624260E+03 0.68162E-03 -0.15582E-03 4705 0.804E-02 0.115E-01 RMM: 5 -0.364354604200E+03 0.20060E-04 -0.21986E-04 3896 0.351E-02 0.116E-01 RMM: 6 -0.364354530405E+03 0.73795E-04 -0.59137E-05 3320 0.221E-02 0.574E-02 RMM: 7 -0.364354550403E+03 -0.19998E-04 -0.41771E-05 3026 0.186E-02 2430 T= 5707. E= 0.69017417E+03 F= 0.64296304E+03 E0= 0.67360318E+03 EK= 0.47211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364050581962E+03 0.30395E+00 -0.18883E-01 8976 0.224E+01 0.305E-01 RMM: 2 -0.364081751583E+03 -0.31170E-01 -0.11893E-01 5386 0.717E-01 0.181E+00 RMM: 3 -0.364059486697E+03 0.22265E-01 -0.12293E-02 5371 0.256E-01 0.341E-01 RMM: 4 -0.364058730123E+03 0.75657E-03 -0.16920E-03 4698 0.875E-02 0.122E-01 RMM: 5 -0.364058758396E+03 -0.28273E-04 -0.25787E-04 3897 0.381E-02 0.151E-01 RMM: 6 -0.364058617029E+03 0.14137E-03 -0.82919E-05 3578 0.262E-02 0.423E-02 RMM: 7 -0.364058617208E+03 -0.17885E-06 -0.20839E-05 2571 0.133E-02 2431 T= 5938. E= 0.69247077E+03 F= 0.64334385E+03 E0= 0.67397750E+03 EK= 0.49127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363965460827E+03 0.93156E-01 -0.19147E-01 8916 0.231E+01 0.316E-01 RMM: 2 -0.363995115894E+03 -0.29655E-01 -0.12756E-01 5170 0.776E-01 0.171E+00 RMM: 3 -0.363975069565E+03 0.20046E-01 -0.14019E-02 5378 0.271E-01 0.305E-01 RMM: 4 -0.363974487062E+03 0.58250E-03 -0.15878E-03 4709 0.814E-02 0.130E-01 RMM: 5 -0.363974461726E+03 0.25336E-04 -0.24840E-04 3900 0.380E-02 0.133E-01 RMM: 6 -0.363974348996E+03 0.11273E-03 -0.77667E-05 3548 0.252E-02 0.465E-02 RMM: 7 -0.363974349717E+03 -0.72160E-06 -0.21539E-05 2554 0.138E-02 2432 T= 6370. E= 0.69620084E+03 F= 0.64350688E+03 E0= 0.67413430E+03 EK= 0.52694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364047970808E+03 -0.73622E-01 -0.18883E-01 8928 0.240E+01 0.226E-01 RMM: 2 -0.364063525660E+03 -0.15555E-01 -0.11401E-01 5307 0.723E-01 0.950E-01 RMM: 3 -0.364056804374E+03 0.67213E-02 -0.91427E-03 5545 0.203E-01 0.194E-01 RMM: 4 -0.364056672223E+03 0.13215E-03 -0.92812E-04 4670 0.655E-02 0.176E-01 RMM: 5 -0.364056493424E+03 0.17880E-03 -0.17366E-04 3874 0.330E-02 0.966E-02 RMM: 6 -0.364056435728E+03 0.57696E-04 -0.42932E-05 3101 0.196E-02 0.396E-02 RMM: 7 -0.364056436475E+03 -0.74676E-06 -0.20828E-05 2521 0.133E-02 2433 T= 6872. E= 0.70034707E+03 F= 0.64349743E+03 E0= 0.67411977E+03 EK= 0.56850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364228836834E+03 -0.17240E+00 -0.19689E-01 8928 0.249E+01 0.233E-01 RMM: 2 -0.364246446386E+03 -0.17610E-01 -0.12036E-01 5247 0.753E-01 0.106E+00 RMM: 3 -0.364238428214E+03 0.80182E-02 -0.10108E-02 5594 0.208E-01 0.208E-01 RMM: 4 -0.364238246639E+03 0.18158E-03 -0.99852E-04 4662 0.692E-02 0.180E-01 RMM: 5 -0.364238057573E+03 0.18907E-03 -0.18987E-04 3877 0.343E-02 0.102E-01 RMM: 6 -0.364237995160E+03 0.62412E-04 -0.52268E-05 3235 0.213E-02 0.456E-02 RMM: 7 -0.364237996470E+03 -0.13098E-05 -0.25481E-05 2572 0.144E-02 2434 T= 7248. E= 0.70334544E+03 F= 0.64338328E+03 E0= 0.67400046E+03 EK= 0.59962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364447042112E+03 -0.20905E+00 -0.19497E-01 8544 0.253E+01 0.221E-01 RMM: 2 -0.364462710589E+03 -0.15668E-01 -0.11113E-01 5284 0.723E-01 0.986E-01 RMM: 3 -0.364455721082E+03 0.69895E-02 -0.91429E-03 5608 0.201E-01 0.190E-01 RMM: 4 -0.364455590628E+03 0.13045E-03 -0.86488E-04 4667 0.627E-02 0.163E-01 RMM: 5 -0.364455429663E+03 0.16096E-03 -0.15246E-04 3878 0.302E-02 0.907E-02 RMM: 6 -0.364455382540E+03 0.47123E-04 -0.37176E-05 3006 0.183E-02 0.434E-02 RMM: 7 -0.364455384624E+03 -0.20834E-05 -0.25995E-05 2574 0.145E-02 2435 T= 7318. E= 0.70376772E+03 F= 0.64322953E+03 E0= 0.67384202E+03 EK= 0.60538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364673030064E+03 -0.21765E+00 -0.18515E-01 8232 0.251E+01 0.195E-01 RMM: 2 -0.364687071436E+03 -0.14041E-01 -0.99382E-02 5334 0.673E-01 0.925E-01 RMM: 3 -0.364680771014E+03 0.63004E-02 -0.72753E-03 5640 0.178E-01 0.166E-01 RMM: 4 -0.364680680785E+03 0.90229E-04 -0.70317E-04 4649 0.579E-02 0.153E-01 RMM: 5 -0.364680541290E+03 0.13950E-03 -0.12120E-04 3809 0.277E-02 0.827E-02 RMM: 6 -0.364680505721E+03 0.35569E-04 -0.31322E-05 2885 0.171E-02 0.462E-02 RMM: 7 -0.364680515373E+03 -0.96517E-05 -0.33740E-05 2671 0.160E-02 2436 T= 7043. E= 0.70133216E+03 F= 0.64306580E+03 E0= 0.67367329E+03 EK= 0.58266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364927639234E+03 -0.24713E+00 -0.17290E-01 8112 0.245E+01 0.215E-01 RMM: 2 -0.364942457049E+03 -0.14818E-01 -0.89418E-02 5332 0.660E-01 0.107E+00 RMM: 3 -0.364934577425E+03 0.78796E-02 -0.76950E-03 5510 0.190E-01 0.214E-01 RMM: 4 -0.364934314032E+03 0.26339E-03 -0.76322E-04 4654 0.585E-02 0.109E-01 RMM: 5 -0.364934261994E+03 0.52037E-04 -0.11921E-04 3861 0.280E-02 0.955E-02 RMM: 6 -0.364934210911E+03 0.51083E-04 -0.38637E-05 3025 0.188E-02 0.454E-02 RMM: 7 -0.364934226150E+03 -0.15239E-04 -0.27944E-05 2631 0.152E-02 2437 T= 6560. E= 0.69714521E+03 F= 0.64287235E+03 E0= 0.67347610E+03 EK= 0.54273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365266126272E+03 -0.33192E+00 -0.15806E-01 7908 0.236E+01 0.215E-01 RMM: 2 -0.365281264330E+03 -0.15138E-01 -0.84291E-02 5295 0.663E-01 0.112E+00 RMM: 3 -0.365272815700E+03 0.84486E-02 -0.80742E-03 5460 0.195E-01 0.199E-01 RMM: 4 -0.365272551796E+03 0.26390E-03 -0.73303E-04 4663 0.565E-02 0.105E-01 RMM: 5 -0.365272498645E+03 0.53151E-04 -0.10707E-04 3851 0.281E-02 0.850E-02 RMM: 6 -0.365272464783E+03 0.33862E-04 -0.35287E-05 2916 0.177E-02 0.583E-02 RMM: 7 -0.365272490214E+03 -0.25431E-04 -0.45371E-05 3075 0.188E-02 0.938E-02 RMM: 8 -0.365272439544E+03 0.50671E-04 -0.42074E-05 2804 0.184E-02 0.374E-02 RMM: 9 -0.365272435785E+03 0.37582E-05 -0.18197E-05 2484 0.114E-02 2438 T= 6076. E= 0.69285430E+03 F= 0.64259356E+03 E0= 0.67319399E+03 EK= 0.50261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365749144818E+03 -0.47671E+00 -0.15028E-01 7800 0.228E+01 0.186E-01 RMM: 2 -0.365760082158E+03 -0.10937E-01 -0.74834E-02 5234 0.629E-01 0.862E-01 RMM: 3 -0.365755146924E+03 0.49352E-02 -0.68969E-03 5479 0.173E-01 0.155E-01 RMM: 4 -0.365755073531E+03 0.73394E-04 -0.59706E-04 4625 0.542E-02 0.146E-01 RMM: 5 -0.365754950275E+03 0.12326E-03 -0.12430E-04 3847 0.299E-02 0.813E-02 RMM: 6 -0.365754911284E+03 0.38991E-04 -0.42165E-05 3063 0.196E-02 0.373E-02 RMM: 7 -0.365754919402E+03 -0.81174E-05 -0.22388E-05 2547 0.141E-02 2439 T= 5750. E= 0.68973360E+03 F= 0.64216910E+03 E0= 0.67276882E+03 EK= 0.47565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366411538150E+03 -0.65663E+00 -0.14692E-01 7812 0.224E+01 0.155E-01 RMM: 2 -0.366420341300E+03 -0.88031E-02 -0.62272E-02 5298 0.571E-01 0.750E-01 RMM: 3 -0.366416557274E+03 0.37840E-02 -0.53090E-03 5579 0.147E-01 0.148E-01 RMM: 4 -0.366416397815E+03 0.15946E-03 -0.38147E-04 4221 0.433E-02 0.853E-02 RMM: 5 -0.366416352392E+03 0.45423E-04 -0.65560E-05 3485 0.231E-02 0.635E-02 RMM: 6 -0.366416348784E+03 0.36079E-05 -0.28696E-05 2652 0.157E-02 2440 T= 5663. E= 0.68841522E+03 F= 0.64156313E+03 E0= 0.67216560E+03 EK= 0.46852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367245501408E+03 -0.82915E+00 -0.15296E-01 8040 0.225E+01 0.257E-01 RMM: 2 -0.367266014936E+03 -0.20514E-01 -0.67848E-02 5281 0.577E-01 0.153E+00 RMM: 3 -0.367250546777E+03 0.15468E-01 -0.83655E-03 5344 0.214E-01 0.266E-01 RMM: 4 -0.367250105208E+03 0.44157E-03 -0.99503E-04 4641 0.642E-02 0.972E-02 RMM: 5 -0.367250093109E+03 0.12099E-04 -0.13239E-04 3878 0.283E-02 2441 T= 5831. E= 0.68901563E+03 F= 0.64078103E+03 E0= 0.67138900E+03 EK= 0.48235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368194868370E+03 -0.94476E+00 -0.16897E-01 8760 0.231E+01 0.253E-01 RMM: 2 -0.368217384374E+03 -0.22516E-01 -0.85349E-02 5392 0.617E-01 0.154E+00 RMM: 3 -0.368201441460E+03 0.15943E-01 -0.85016E-03 5349 0.214E-01 0.291E-01 RMM: 4 -0.368200904885E+03 0.53658E-03 -0.11244E-03 4646 0.692E-02 0.102E-01 RMM: 5 -0.368200855780E+03 0.49104E-04 -0.13187E-04 3900 0.283E-02 0.934E-02 RMM: 6 -0.368200811475E+03 0.44305E-04 -0.33628E-05 2908 0.174E-02 0.571E-02 RMM: 7 -0.368200839710E+03 -0.28234E-04 -0.47102E-05 3140 0.175E-02 0.989E-02 RMM: 8 -0.368200784220E+03 0.55490E-04 -0.11681E-04 3883 0.266E-02 0.402E-02 RMM: 9 -0.368200779416E+03 0.48037E-05 -0.19819E-05 2537 0.130E-02 2442 T= 6206. E= 0.69121602E+03 F= 0.63987724E+03 E0= 0.67049580E+03 EK= 0.51339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369158362702E+03 -0.95758E+00 -0.20376E-01 8796 0.238E+01 0.261E-01 RMM: 2 -0.369177055144E+03 -0.18692E-01 -0.12867E-01 5146 0.778E-01 0.112E+00 RMM: 3 -0.369168257716E+03 0.87974E-02 -0.11155E-02 5577 0.214E-01 0.203E-01 RMM: 4 -0.369168339018E+03 -0.81302E-04 -0.12661E-03 4677 0.812E-02 0.267E-01 RMM: 5 -0.369167903006E+03 0.43601E-03 -0.29396E-04 3945 0.440E-02 0.919E-02 RMM: 6 -0.369167855037E+03 0.47969E-04 -0.55530E-05 3299 0.217E-02 0.382E-02 RMM: 7 -0.369167862996E+03 -0.79595E-05 -0.22243E-05 2578 0.136E-02 2443 T= 6676. E= 0.69418051E+03 F= 0.63895208E+03 E0= 0.66958307E+03 EK= 0.55228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370013463450E+03 -0.84561E+00 -0.24389E-01 9204 0.245E+01 0.203E-01 RMM: 2 -0.370031011396E+03 -0.17548E-01 -0.14818E-01 5438 0.790E-01 0.832E-01 RMM: 3 -0.370025365903E+03 0.56455E-02 -0.95350E-03 5593 0.196E-01 0.176E-01 RMM: 4 -0.370025194822E+03 0.17108E-03 -0.82270E-04 4725 0.595E-02 0.155E-01 RMM: 5 -0.370025035530E+03 0.15929E-03 -0.13543E-04 3879 0.297E-02 0.794E-02 RMM: 6 -0.370025011608E+03 0.23922E-04 -0.26381E-05 2644 0.152E-02 0.636E-02 RMM: 7 -0.370024990893E+03 0.20715E-04 -0.54126E-05 3135 0.194E-02 0.707E-02 RMM: 8 -0.370024957243E+03 0.33650E-04 -0.54981E-05 3078 0.179E-02 0.404E-02 RMM: 9 -0.370024967422E+03 -0.10179E-04 -0.33559E-05 2649 0.155E-02 2444 T= 7063. E= 0.69656609E+03 F= 0.63813224E+03 E0= 0.66877729E+03 EK= 0.58434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370643877102E+03 -0.61892E+00 -0.28588E-01 9060 0.249E+01 0.231E-01 RMM: 2 -0.370664788628E+03 -0.20912E-01 -0.17839E-01 5366 0.844E-01 0.879E-01 RMM: 3 -0.370657992829E+03 0.67958E-02 -0.11266E-02 5604 0.209E-01 0.160E-01 RMM: 4 -0.370658093765E+03 -0.10094E-03 -0.10649E-03 4703 0.712E-02 0.252E-01 RMM: 5 -0.370657683558E+03 0.41021E-03 -0.23214E-04 3895 0.385E-02 0.757E-02 RMM: 6 -0.370657654271E+03 0.29287E-04 -0.37498E-05 2973 0.179E-02 0.458E-02 RMM: 7 -0.370657647447E+03 0.68239E-05 -0.19979E-05 2544 0.129E-02 2445 T= 7191. E= 0.69702177E+03 F= 0.63753286E+03 E0= 0.66819028E+03 EK= 0.59489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370993732271E+03 -0.33608E+00 -0.32812E-01 8820 0.247E+01 0.172E-01 RMM: 2 -0.371015771013E+03 -0.22039E-01 -0.19570E-01 5612 0.832E-01 0.758E-01 RMM: 3 -0.371009316718E+03 0.64543E-02 -0.94448E-03 5555 0.200E-01 0.169E-01 RMM: 4 -0.371009144057E+03 0.17266E-03 -0.91807E-04 4886 0.553E-02 0.111E-01 RMM: 5 -0.371009061032E+03 0.83026E-04 -0.92673E-05 3671 0.235E-02 0.799E-02 RMM: 6 -0.371009053051E+03 0.79810E-05 -0.26907E-05 2598 0.150E-02 2446 T= 6994. E= 0.69507035E+03 F= 0.63721141E+03 E0= 0.66787927E+03 EK= 0.57859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371084160044E+03 -0.75099E-01 -0.36000E-01 8532 0.241E+01 0.305E-01 RMM: 2 -0.371124877301E+03 -0.40717E-01 -0.20676E-01 5458 0.852E-01 0.183E+00 RMM: 3 -0.371100197433E+03 0.24680E-01 -0.15492E-02 5352 0.281E-01 0.305E-01 RMM: 4 -0.371099623168E+03 0.57427E-03 -0.18801E-03 4836 0.816E-02 0.110E-01 RMM: 5 -0.371099587500E+03 0.35668E-04 -0.19091E-04 4053 0.321E-02 0.102E-01 RMM: 6 -0.371099535325E+03 0.52174E-04 -0.36023E-05 2909 0.174E-02 0.580E-02 RMM: 7 -0.371099552364E+03 -0.17038E-04 -0.32095E-05 2799 0.171E-02 2447 T= 6569. E= 0.69149336E+03 F= 0.63714783E+03 E0= 0.66782455E+03 EK= 0.54346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370994282277E+03 0.10525E+00 -0.37952E-01 8460 0.232E+01 0.335E-01 RMM: 2 -0.371038801176E+03 -0.44519E-01 -0.21083E-01 5401 0.868E-01 0.197E+00 RMM: 3 -0.371010308554E+03 0.28493E-01 -0.16230E-02 5356 0.289E-01 0.345E-01 RMM: 4 -0.371009538829E+03 0.76973E-03 -0.21927E-03 4991 0.948E-02 0.135E-01 RMM: 5 -0.371009611652E+03 -0.72823E-04 -0.32112E-04 3939 0.417E-02 0.173E-01 RMM: 6 -0.371009422084E+03 0.18957E-03 -0.10326E-04 3811 0.285E-02 0.445E-02 RMM: 7 -0.371009427954E+03 -0.58691E-05 -0.24484E-05 2629 0.140E-02 2448 T= 6102. E= 0.68774000E+03 F= 0.63726172E+03 E0= 0.66794286E+03 EK= 0.50478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370825360704E+03 0.18406E+00 -0.38673E-01 8664 0.223E+01 0.278E-01 RMM: 2 -0.370859145227E+03 -0.33785E-01 -0.19797E-01 5680 0.835E-01 0.155E+00 RMM: 3 -0.370841046317E+03 0.18099E-01 -0.12865E-02 5353 0.255E-01 0.283E-01 RMM: 4 -0.370840554511E+03 0.49181E-03 -0.15381E-03 4803 0.742E-02 0.110E-01 RMM: 5 -0.370840513996E+03 0.40515E-04 -0.18788E-04 3895 0.340E-02 0.100E-01 RMM: 6 -0.370840455140E+03 0.58856E-04 -0.45983E-05 3094 0.199E-02 0.460E-02 RMM: 7 -0.370840463303E+03 -0.81623E-05 -0.20780E-05 2520 0.138E-02 2449 T= 5756. E= 0.68507001E+03 F= 0.63745076E+03 E0= 0.66813291E+03 EK= 0.47619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370668615554E+03 0.17184E+00 -0.38463E-01 8592 0.218E+01 0.218E-01 RMM: 2 -0.370694133107E+03 -0.25518E-01 -0.18083E-01 5979 0.801E-01 0.117E+00 RMM: 3 -0.370683352387E+03 0.10781E-01 -0.93620E-03 5365 0.213E-01 0.223E-01 RMM: 4 -0.370683050614E+03 0.30177E-03 -0.10692E-03 4822 0.600E-02 0.921E-02 RMM: 5 -0.370683017219E+03 0.33395E-04 -0.12329E-04 3892 0.273E-02 0.779E-02 RMM: 6 -0.370682983257E+03 0.33962E-04 -0.26267E-05 2664 0.152E-02 0.458E-02 RMM: 7 -0.370682992428E+03 -0.91704E-05 -0.19750E-05 2511 0.134E-02 2450 T= 5629. E= 0.68419067E+03 F= 0.63762399E+03 E0= 0.66830202E+03 EK= 0.46567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370584535346E+03 0.98448E-01 -0.37525E-01 8592 0.218E+01 0.207E-01 RMM: 2 -0.370607977785E+03 -0.23442E-01 -0.16868E-01 6162 0.747E-01 0.109E+00 RMM: 3 -0.370598154996E+03 0.98228E-02 -0.76322E-03 5340 0.196E-01 0.204E-01 RMM: 4 -0.370597941332E+03 0.21366E-03 -0.99349E-04 4799 0.577E-02 0.984E-02 RMM: 5 -0.370597913626E+03 0.27706E-04 -0.12287E-04 3885 0.273E-02 0.944E-02 RMM: 6 -0.370597859894E+03 0.53732E-04 -0.34707E-05 2972 0.177E-02 0.382E-02 RMM: 7 -0.370597866525E+03 -0.66311E-05 -0.16599E-05 2501 0.120E-02 2451 T= 5754. E= 0.68531884E+03 F= 0.63772011E+03 E0= 0.66838698E+03 EK= 0.47599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370599620841E+03 -0.17609E-02 -0.38702E-01 8688 0.222E+01 0.185E-01 RMM: 2 -0.370620580647E+03 -0.20960E-01 -0.17134E-01 6200 0.753E-01 0.873E-01 RMM: 3 -0.370613530956E+03 0.70497E-02 -0.70341E-03 5355 0.185E-01 0.148E-01 RMM: 4 -0.370613475932E+03 0.55024E-04 -0.87253E-04 4898 0.521E-02 0.116E-01 RMM: 5 -0.370613403560E+03 0.72372E-04 -0.97034E-05 3716 0.241E-02 0.792E-02 RMM: 6 -0.370613367212E+03 0.36348E-04 -0.29287E-05 2766 0.164E-02 0.397E-02 RMM: 7 -0.370613375246E+03 -0.80338E-05 -0.25217E-05 2530 0.149E-02 2452 T= 6110. E= 0.68825442E+03 F= 0.63771080E+03 E0= 0.66835763E+03 EK= 0.50544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370709245512E+03 -0.95878E-01 -0.41112E-01 8796 0.230E+01 0.168E-01 RMM: 2 -0.370730205237E+03 -0.20960E-01 -0.18265E-01 6103 0.788E-01 0.755E-01 RMM: 3 -0.370724269623E+03 0.59356E-02 -0.68931E-03 5403 0.178E-01 0.170E-01 RMM: 4 -0.370724141135E+03 0.12849E-03 -0.88799E-04 4724 0.543E-02 0.104E-01 RMM: 5 -0.370724077945E+03 0.63190E-04 -0.11454E-04 3876 0.262E-02 0.794E-02 RMM: 6 -0.370724044578E+03 0.33367E-04 -0.28929E-05 2773 0.161E-02 0.452E-02 RMM: 7 -0.370724054068E+03 -0.94892E-05 -0.25728E-05 2560 0.147E-02 2453 T= 6609. E= 0.69227859E+03 F= 0.63760189E+03 E0= 0.66821830E+03 EK= 0.54677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370877984058E+03 -0.15394E+00 -0.44448E-01 8820 0.238E+01 0.182E-01 RMM: 2 -0.370900578737E+03 -0.22595E-01 -0.19925E-01 6025 0.836E-01 0.770E-01 RMM: 3 -0.370894308590E+03 0.62701E-02 -0.80452E-03 5459 0.186E-01 0.143E-01 RMM: 4 -0.370894246909E+03 0.61680E-04 -0.92896E-04 4872 0.547E-02 0.134E-01 RMM: 5 -0.370894124212E+03 0.12270E-03 -0.12625E-04 3885 0.282E-02 0.677E-02 RMM: 6 -0.370894108632E+03 0.15580E-04 -0.30999E-05 2810 0.161E-02 2454 T= 7085. E= 0.69604115E+03 F= 0.63742969E+03 E0= 0.66800409E+03 EK= 0.58611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371054319679E+03 -0.16020E+00 -0.47229E-01 8688 0.244E+01 0.227E-01 RMM: 2 -0.371082947891E+03 -0.28628E-01 -0.21418E-01 5957 0.883E-01 0.115E+00 RMM: 3 -0.371072047695E+03 0.10900E-01 -0.10360E-02 5373 0.218E-01 0.230E-01 RMM: 4 -0.371071732357E+03 0.31534E-03 -0.11956E-03 4792 0.661E-02 0.115E-01 RMM: 5 -0.371071663379E+03 0.68978E-04 -0.16097E-04 3911 0.313E-02 0.927E-02 RMM: 6 -0.371071621180E+03 0.42200E-04 -0.46623E-05 3135 0.197E-02 0.595E-02 RMM: 7 -0.371071645076E+03 -0.23896E-04 -0.48791E-05 3225 0.191E-02 0.912E-02 RMM: 8 -0.371071591086E+03 0.53989E-04 -0.41334E-05 2928 0.181E-02 0.343E-02 RMM: 9 -0.371071597347E+03 -0.62607E-05 -0.22334E-05 2540 0.130E-02 2455 T= 7331. E= 0.69789335E+03 F= 0.63724652E+03 E0= 0.66776995E+03 EK= 0.60647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371197879563E+03 -0.12629E+00 -0.46904E-01 8712 0.245E+01 0.285E-01 RMM: 2 -0.371231887067E+03 -0.34008E-01 -0.21924E-01 5646 0.907E-01 0.145E+00 RMM: 3 -0.371215492291E+03 0.16395E-01 -0.12509E-02 5361 0.242E-01 0.257E-01 RMM: 4 -0.371215204653E+03 0.28764E-03 -0.16958E-03 4789 0.868E-02 0.180E-01 RMM: 5 -0.371215112876E+03 0.91778E-04 -0.29072E-04 3949 0.413E-02 0.153E-01 RMM: 6 -0.371214967769E+03 0.14511E-03 -0.97866E-05 3707 0.277E-02 0.382E-02 RMM: 7 -0.371214989130E+03 -0.21361E-04 -0.37084E-05 2931 0.178E-02 0.701E-02 RMM: 8 -0.371214959752E+03 0.29378E-04 -0.23277E-05 2577 0.157E-02 0.230E-02 RMM: 9 -0.371214960317E+03 -0.56440E-06 -0.87743E-06 2452 0.840E-03 2456 T= 7223. E= 0.69684869E+03 F= 0.63709404E+03 E0= 0.66755975E+03 EK= 0.59755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371298435070E+03 -0.83475E-01 -0.42566E-01 8796 0.241E+01 0.202E-01 RMM: 2 -0.371323314214E+03 -0.24879E-01 -0.19989E-01 5910 0.858E-01 0.969E-01 RMM: 3 -0.371315060851E+03 0.82534E-02 -0.95981E-03 5397 0.210E-01 0.164E-01 RMM: 4 -0.371314960762E+03 0.10009E-03 -0.97497E-04 4836 0.609E-02 0.134E-01 RMM: 5 -0.371314850494E+03 0.11027E-03 -0.13318E-04 3906 0.275E-02 0.811E-02 RMM: 6 -0.371314817424E+03 0.33070E-04 -0.33257E-05 2909 0.170E-02 0.480E-02 RMM: 7 -0.371314831838E+03 -0.14414E-04 -0.43895E-05 3110 0.182E-02 2457 T= 6815. E= 0.69336257E+03 F= 0.63698129E+03 E0= 0.66738768E+03 EK= 0.56381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371386741785E+03 -0.71924E-01 -0.35967E-01 8796 0.233E+01 0.178E-01 RMM: 2 -0.371406385170E+03 -0.19643E-01 -0.17531E-01 5961 0.808E-01 0.707E-01 RMM: 3 -0.371401370512E+03 0.50147E-02 -0.79804E-03 5494 0.182E-01 0.165E-01 RMM: 4 -0.371401249725E+03 0.12079E-03 -0.79027E-04 4746 0.563E-02 0.140E-01 RMM: 5 -0.371401120732E+03 0.12899E-03 -0.12551E-04 3875 0.277E-02 0.657E-02 RMM: 6 -0.371401107324E+03 0.13408E-04 -0.30949E-05 2888 0.163E-02 2458 T= 6296. E= 0.68896671E+03 F= 0.63687778E+03 E0= 0.66722815E+03 EK= 0.52089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371516730885E+03 -0.11561E+00 -0.27999E-01 8832 0.225E+01 0.297E-01 RMM: 2 -0.371548600396E+03 -0.31870E-01 -0.15771E-01 5560 0.793E-01 0.165E+00 RMM: 3 -0.371529176033E+03 0.19424E-01 -0.12319E-02 5345 0.250E-01 0.300E-01 RMM: 4 -0.371528604895E+03 0.57114E-03 -0.15149E-03 4716 0.782E-02 0.113E-01 RMM: 5 -0.371528562532E+03 0.42364E-04 -0.19917E-04 3904 0.334E-02 0.113E-01 RMM: 6 -0.371528491030E+03 0.71502E-04 -0.54458E-05 3239 0.214E-02 0.562E-02 RMM: 7 -0.371528505257E+03 -0.14227E-04 -0.38688E-05 2958 0.178E-02 2459 T= 5862. E= 0.68522586E+03 F= 0.63672818E+03 E0= 0.66702681E+03 EK= 0.48498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371738443746E+03 -0.20995E+00 -0.21489E-01 8736 0.219E+01 0.277E-01 RMM: 2 -0.371765506534E+03 -0.27063E-01 -0.12490E-01 5536 0.706E-01 0.155E+00 RMM: 3 -0.371748344943E+03 0.17162E-01 -0.10281E-02 5346 0.231E-01 0.309E-01 RMM: 4 -0.371747767607E+03 0.57734E-03 -0.15152E-03 4677 0.824E-02 0.132E-01 RMM: 5 -0.371747744626E+03 0.22981E-04 -0.22671E-04 3916 0.367E-02 0.128E-01 RMM: 6 -0.371747640039E+03 0.10459E-03 -0.60907E-05 3371 0.228E-02 0.401E-02 RMM: 7 -0.371747643443E+03 -0.34045E-05 -0.19930E-05 2534 0.130E-02 2460 T= 5637. E= 0.68311534E+03 F= 0.63648150E+03 E0= 0.66673425E+03 EK= 0.46634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372075761305E+03 -0.32812E+00 -0.17627E-01 8976 0.218E+01 0.283E-01 RMM: 2 -0.372102474775E+03 -0.26713E-01 -0.10699E-01 5362 0.685E-01 0.168E+00 RMM: 3 -0.372083919955E+03 0.18555E-01 -0.10783E-02 5354 0.237E-01 0.251E-01 RMM: 4 -0.372083506038E+03 0.41392E-03 -0.11991E-03 4758 0.671E-02 0.989E-02 RMM: 5 -0.372083470138E+03 0.35900E-04 -0.14838E-04 3887 0.302E-02 0.967E-02 RMM: 6 -0.372083412790E+03 0.57348E-04 -0.40844E-05 3067 0.187E-02 0.456E-02 RMM: 7 -0.372083420926E+03 -0.81358E-05 -0.24920E-05 2592 0.143E-02 2461 T= 5669. E= 0.68301276E+03 F= 0.63611298E+03 E0= 0.66632530E+03 EK= 0.46900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372511990194E+03 -0.42858E+00 -0.15575E-01 8580 0.222E+01 0.195E-01 RMM: 2 -0.372526179748E+03 -0.14190E-01 -0.85668E-02 5252 0.610E-01 0.101E+00 RMM: 3 -0.372518835268E+03 0.73445E-02 -0.73229E-03 5359 0.191E-01 0.214E-01 RMM: 4 -0.372518568430E+03 0.26684E-03 -0.79648E-04 4756 0.555E-02 0.848E-02 RMM: 5 -0.372518542220E+03 0.26210E-04 -0.10938E-04 3800 0.272E-02 0.821E-02 RMM: 6 -0.372518499564E+03 0.42656E-04 -0.30507E-05 2876 0.166E-02 0.375E-02 RMM: 7 -0.372518504192E+03 -0.46275E-05 -0.23003E-05 2529 0.145E-02 2462 T= 5949. E= 0.68485141E+03 F= 0.63564056E+03 E0= 0.66581829E+03 EK= 0.49211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372983667941E+03 -0.46517E+00 -0.15278E-01 8376 0.229E+01 0.178E-01 RMM: 2 -0.372995721076E+03 -0.12053E-01 -0.79988E-02 5295 0.612E-01 0.905E-01 RMM: 3 -0.372990078828E+03 0.56422E-02 -0.67146E-03 5539 0.169E-01 0.173E-01 RMM: 4 -0.372989870036E+03 0.20879E-03 -0.58804E-04 4532 0.494E-02 0.897E-02 RMM: 5 -0.372989818076E+03 0.51960E-04 -0.79228E-05 3665 0.232E-02 0.727E-02 RMM: 6 -0.372989790502E+03 0.27574E-04 -0.25385E-05 2608 0.150E-02 0.520E-02 RMM: 7 -0.372989785769E+03 0.47327E-05 -0.45770E-05 2906 0.175E-02 2463 T= 6404. E= 0.68810467E+03 F= 0.63512821E+03 E0= 0.66527786E+03 EK= 0.52976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373396316386E+03 -0.40653E+00 -0.15617E-01 8136 0.238E+01 0.166E-01 RMM: 2 -0.373406536193E+03 -0.10220E-01 -0.82745E-02 5276 0.640E-01 0.710E-01 RMM: 3 -0.373403052809E+03 0.34834E-02 -0.71777E-03 5720 0.164E-01 0.154E-01 RMM: 4 -0.373402860101E+03 0.19271E-03 -0.48846E-04 4438 0.459E-02 0.102E-01 RMM: 5 -0.373402782452E+03 0.77650E-04 -0.79892E-05 3685 0.249E-02 0.646E-02 RMM: 6 -0.373402771799E+03 0.10652E-04 -0.29007E-05 2664 0.157E-02 2464 T= 6889. E= 0.69166250E+03 F= 0.63467110E+03 E0= 0.66480097E+03 EK= 0.56991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373659823149E+03 -0.25704E+00 -0.16380E-01 7908 0.245E+01 0.200E-01 RMM: 2 -0.373673952775E+03 -0.14130E-01 -0.85821E-02 5291 0.651E-01 0.103E+00 RMM: 3 -0.373666736672E+03 0.72161E-02 -0.77830E-03 5389 0.190E-01 0.192E-01 RMM: 4 -0.373666502870E+03 0.23380E-03 -0.70904E-04 4770 0.525E-02 0.912E-02 RMM: 5 -0.373666444634E+03 0.58236E-04 -0.90044E-05 3806 0.259E-02 0.734E-02 RMM: 6 -0.373666427735E+03 0.16899E-04 -0.29275E-05 2689 0.155E-02 2465 T= 7208. E= 0.69398778E+03 F= 0.63436037E+03 E0= 0.66448112E+03 EK= 0.59627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373735183965E+03 -0.68739E-01 -0.16350E-01 7620 0.247E+01 0.332E-01 RMM: 2 -0.373763410672E+03 -0.28227E-01 -0.88926E-02 5292 0.690E-01 0.183E+00 RMM: 3 -0.373741618206E+03 0.21792E-01 -0.13177E-02 5355 0.276E-01 0.334E-01 RMM: 4 -0.373740828321E+03 0.78988E-03 -0.14599E-03 4646 0.775E-02 0.103E-01 RMM: 5 -0.373740783449E+03 0.44872E-04 -0.17212E-04 3918 0.328E-02 0.932E-02 RMM: 6 -0.373740730987E+03 0.52462E-04 -0.40022E-05 2935 0.190E-02 0.604E-02 RMM: 7 -0.373740755202E+03 -0.24215E-04 -0.48474E-05 3185 0.195E-02 0.944E-02 RMM: 8 -0.373740693838E+03 0.61364E-04 -0.58037E-05 3251 0.192E-02 0.460E-02 RMM: 9 -0.373740685493E+03 0.83450E-05 -0.23830E-05 2579 0.135E-02 2466 T= 7209. E= 0.69387508E+03 F= 0.63423554E+03 E0= 0.66435834E+03 EK= 0.59640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373657413825E+03 0.83280E-01 -0.16401E-01 7596 0.243E+01 0.259E-01 RMM: 2 -0.373676539439E+03 -0.19126E-01 -0.81343E-02 5178 0.628E-01 0.139E+00 RMM: 3 -0.373663654600E+03 0.12885E-01 -0.93461E-03 5365 0.222E-01 0.268E-01 RMM: 4 -0.373663288965E+03 0.36564E-03 -0.12577E-03 4690 0.769E-02 0.146E-01 RMM: 5 -0.373663237746E+03 0.51219E-04 -0.19791E-04 3892 0.361E-02 0.132E-01 RMM: 6 -0.373663124862E+03 0.11288E-03 -0.60875E-05 3376 0.234E-02 0.355E-02 RMM: 7 -0.373663130269E+03 -0.54069E-05 -0.22582E-05 2547 0.139E-02 2467 T= 6898. E= 0.69132260E+03 F= 0.63425796E+03 E0= 0.66439171E+03 EK= 0.57065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373524526863E+03 0.13860E+00 -0.16287E-01 7644 0.235E+01 0.192E-01 RMM: 2 -0.373536675986E+03 -0.12149E-01 -0.82181E-02 5127 0.638E-01 0.895E-01 RMM: 3 -0.373531134593E+03 0.55414E-02 -0.74354E-03 5492 0.180E-01 0.177E-01 RMM: 4 -0.373531011046E+03 0.12355E-03 -0.69409E-04 4630 0.584E-02 0.146E-01 RMM: 5 -0.373530884166E+03 0.12688E-03 -0.12945E-04 3866 0.288E-02 0.862E-02 RMM: 6 -0.373530843159E+03 0.41007E-04 -0.40001E-05 3044 0.185E-02 0.505E-02 RMM: 7 -0.373530869248E+03 -0.26089E-04 -0.75593E-05 3673 0.208E-02 0.927E-02 RMM: 8 -0.373530815210E+03 0.54038E-04 -0.46109E-05 3047 0.184E-02 0.251E-02 RMM: 9 -0.373530816162E+03 -0.95203E-06 -0.14225E-05 2462 0.111E-02 2468 T= 6429. E= 0.68751467E+03 F= 0.63432933E+03 E0= 0.66448068E+03 EK= 0.53185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373448769119E+03 0.82046E-01 -0.15556E-01 7560 0.226E+01 0.189E-01 RMM: 2 -0.373459036860E+03 -0.10268E-01 -0.80309E-02 5093 0.627E-01 0.741E-01 RMM: 3 -0.373455074895E+03 0.39620E-02 -0.71604E-03 5536 0.172E-01 0.131E-01 RMM: 4 -0.373455186988E+03 -0.11209E-03 -0.62856E-04 4638 0.576E-02 0.211E-01 RMM: 5 -0.373454893500E+03 0.29349E-03 -0.14816E-04 3856 0.316E-02 0.624E-02 RMM: 6 -0.373454870472E+03 0.23028E-04 -0.27344E-05 2743 0.159E-02 0.302E-02 RMM: 7 -0.373454869631E+03 0.84057E-06 -0.18361E-05 2514 0.120E-02 2469 T= 5997. E= 0.68394598E+03 F= 0.63433756E+03 E0= 0.66451121E+03 EK= 0.49608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373514340527E+03 -0.59470E-01 -0.14709E-01 7800 0.219E+01 0.165E-01 RMM: 2 -0.373522750466E+03 -0.84099E-02 -0.69947E-02 5239 0.580E-01 0.611E-01 RMM: 3 -0.373519921937E+03 0.28285E-02 -0.56640E-03 5638 0.150E-01 0.147E-01 RMM: 4 -0.373519853311E+03 0.68626E-04 -0.49362E-04 4535 0.508E-02 0.144E-01 RMM: 5 -0.373519713860E+03 0.13945E-03 -0.10576E-04 3741 0.261E-02 0.611E-02 RMM: 6 -0.373519702073E+03 0.11787E-04 -0.27919E-05 2754 0.157E-02 2470 T= 5740. E= 0.68168349E+03 F= 0.63419803E+03 E0= 0.66439667E+03 EK= 0.47485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373759383780E+03 -0.23967E+00 -0.14381E-01 8088 0.217E+01 0.262E-01 RMM: 2 -0.373779936768E+03 -0.20553E-01 -0.81084E-02 5089 0.620E-01 0.147E+00 RMM: 3 -0.373765577806E+03 0.14359E-01 -0.99813E-03 5376 0.228E-01 0.265E-01 RMM: 4 -0.373765148487E+03 0.42932E-03 -0.11206E-03 4663 0.689E-02 0.109E-01 RMM: 5 -0.373765123965E+03 0.24522E-04 -0.16320E-04 3896 0.315E-02 0.110E-01 RMM: 6 -0.373765050984E+03 0.72981E-04 -0.50823E-05 3231 0.207E-02 0.454E-02 RMM: 7 -0.373765064678E+03 -0.13694E-04 -0.30709E-05 2711 0.163E-02 2471 T= 5723. E= 0.68121270E+03 F= 0.63387165E+03 E0= 0.66409675E+03 EK= 0.47341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374176348715E+03 -0.41130E+00 -0.14946E-01 8544 0.220E+01 0.270E-01 RMM: 2 -0.374197929535E+03 -0.21581E-01 -0.83149E-02 5215 0.621E-01 0.152E+00 RMM: 3 -0.374182705125E+03 0.15224E-01 -0.94474E-03 5372 0.226E-01 0.309E-01 RMM: 4 -0.374182061348E+03 0.64378E-03 -0.12379E-03 4665 0.741E-02 0.934E-02 RMM: 5 -0.374182053897E+03 0.74510E-05 -0.17605E-04 3891 0.338E-02 2472 T= 5945. E= 0.68255068E+03 F= 0.63336872E+03 E0= 0.66362026E+03 EK= 0.49182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374703975757E+03 -0.52191E+00 -0.17717E-01 8796 0.226E+01 0.211E-01 RMM: 2 -0.374724183410E+03 -0.20208E-01 -0.11193E-01 5240 0.691E-01 0.126E+00 RMM: 3 -0.374713099274E+03 0.11084E-01 -0.95609E-03 5409 0.211E-01 0.210E-01 RMM: 4 -0.374712819300E+03 0.27997E-03 -0.90807E-04 5005 0.564E-02 0.104E-01 RMM: 5 -0.374712747351E+03 0.71949E-04 -0.94988E-05 3739 0.270E-02 0.886E-02 RMM: 6 -0.374712725692E+03 0.21660E-04 -0.73926E-05 3637 0.229E-02 0.917E-02 RMM: 7 -0.374712805371E+03 -0.79679E-04 -0.12092E-04 3889 0.264E-02 0.156E-01 RMM: 8 -0.374712645291E+03 0.16008E-03 -0.78124E-05 3628 0.234E-02 0.333E-02 RMM: 9 -0.374712650091E+03 -0.48004E-05 -0.25728E-05 2593 0.138E-02 2473 T= 6348. E= 0.68526697E+03 F= 0.63274875E+03 E0= 0.66302888E+03 EK= 0.52518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375245807700E+03 -0.53316E+00 -0.19683E-01 8928 0.235E+01 0.227E-01 RMM: 2 -0.375262823942E+03 -0.17016E-01 -0.12338E-01 5250 0.729E-01 0.985E-01 RMM: 3 -0.375255585759E+03 0.72382E-02 -0.96587E-03 5506 0.202E-01 0.214E-01 RMM: 4 -0.375255454683E+03 0.13108E-03 -0.11149E-03 4679 0.738E-02 0.198E-01 RMM: 5 -0.375255185035E+03 0.26965E-03 -0.27143E-04 3920 0.440E-02 0.793E-02 RMM: 6 -0.375255168403E+03 0.16631E-04 -0.63315E-05 3419 0.223E-02 2474 T= 6803. E= 0.68839526E+03 F= 0.63211448E+03 E0= 0.66242090E+03 EK= 0.56281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375668246678E+03 -0.41306E+00 -0.22790E-01 8988 0.243E+01 0.254E-01 RMM: 2 -0.375695240149E+03 -0.26993E-01 -0.15110E-01 5393 0.783E-01 0.144E+00 RMM: 3 -0.375680217634E+03 0.15023E-01 -0.11976E-02 5399 0.238E-01 0.247E-01 RMM: 4 -0.375679825120E+03 0.39251E-03 -0.12225E-03 4995 0.650E-02 0.111E-01 RMM: 5 -0.375679739668E+03 0.85451E-04 -0.11191E-04 3857 0.287E-02 0.922E-02 RMM: 6 -0.375679727429E+03 0.12239E-04 -0.51961E-05 3213 0.202E-02 2475 T= 7126. E= 0.69054721E+03 F= 0.63159576E+03 E0= 0.66192584E+03 EK= 0.58951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375853724570E+03 -0.17398E+00 -0.25847E-01 8820 0.246E+01 0.459E-01 RMM: 2 -0.375914557679E+03 -0.60833E-01 -0.18026E-01 5166 0.902E-01 0.267E+00 RMM: 3 -0.375867287907E+03 0.47270E-01 -0.25365E-02 5292 0.384E-01 0.558E-01 RMM: 4 -0.375865178365E+03 0.21095E-02 -0.31549E-03 5213 0.118E-01 0.128E-01 RMM: 5 -0.375865136472E+03 0.41893E-04 -0.35172E-04 4038 0.394E-02 0.141E-01 RMM: 6 -0.375865022604E+03 0.11387E-03 -0.10776E-04 3871 0.281E-02 0.821E-02 RMM: 7 -0.375865156789E+03 -0.13418E-03 -0.17232E-04 3900 0.338E-02 0.170E-01 RMM: 8 -0.375864978815E+03 0.17797E-03 -0.98177E-05 3776 0.268E-02 0.537E-02 RMM: 9 -0.375864969740E+03 0.90752E-05 -0.25104E-05 2692 0.141E-02 2476 T= 7160. E= 0.69054787E+03 F= 0.63131277E+03 E0= 0.66166632E+03 EK= 0.59235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375726420173E+03 0.13856E+00 -0.26286E-01 8916 0.245E+01 0.408E-01 RMM: 2 -0.375781543665E+03 -0.55123E-01 -0.17055E-01 5287 0.836E-01 0.251E+00 RMM: 3 -0.375739072307E+03 0.42471E-01 -0.20248E-02 5313 0.336E-01 0.389E-01 RMM: 4 -0.375738203573E+03 0.86873E-03 -0.27983E-03 5089 0.111E-01 0.190E-01 RMM: 5 -0.375738187675E+03 0.15898E-04 -0.42206E-04 4194 0.495E-02 0.199E-01 RMM: 6 -0.375737928471E+03 0.25920E-03 -0.15468E-04 3877 0.339E-02 0.449E-02 RMM: 7 -0.375737972710E+03 -0.44239E-04 -0.74242E-05 3566 0.229E-02 0.950E-02 RMM: 8 -0.375737919762E+03 0.52947E-04 -0.36740E-05 3014 0.189E-02 0.296E-02 RMM: 9 -0.375737920740E+03 -0.97735E-06 -0.12712E-05 2481 0.100E-02 2477 T= 6883. E= 0.68827456E+03 F= 0.63133663E+03 E0= 0.66170635E+03 EK= 0.56938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375287137286E+03 0.45078E+00 -0.25581E-01 8544 0.239E+01 0.294E-01 RMM: 2 -0.375314914405E+03 -0.27777E-01 -0.14772E-01 5536 0.766E-01 0.152E+00 RMM: 3 -0.375298311492E+03 0.16603E-01 -0.10932E-02 5378 0.235E-01 0.289E-01 RMM: 4 -0.375297839619E+03 0.47187E-03 -0.14209E-03 4718 0.795E-02 0.139E-01 RMM: 5 -0.375297813416E+03 0.26204E-04 -0.22472E-04 3893 0.352E-02 0.150E-01 RMM: 6 -0.375297673746E+03 0.13967E-03 -0.83888E-05 3634 0.258E-02 0.492E-02 RMM: 7 -0.375297724869E+03 -0.51123E-04 -0.72479E-05 3558 0.223E-02 0.106E-01 RMM: 8 -0.375297657066E+03 0.67803E-04 -0.45501E-05 3104 0.195E-02 0.366E-02 RMM: 9 -0.375297650654E+03 0.64118E-05 -0.13336E-05 2474 0.104E-02 2478 T= 6420. E= 0.68477767E+03 F= 0.63166632E+03 E0= 0.66204605E+03 EK= 0.53111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374590431491E+03 0.70723E+00 -0.23459E-01 8712 0.230E+01 0.237E-01 RMM: 2 -0.374608006514E+03 -0.17575E-01 -0.13185E-01 5679 0.715E-01 0.951E-01 RMM: 3 -0.374600525371E+03 0.74811E-02 -0.71714E-03 5510 0.178E-01 0.171E-01 RMM: 4 -0.374600627491E+03 -0.10212E-03 -0.96194E-04 4660 0.695E-02 0.238E-01 RMM: 5 -0.374600293219E+03 0.33427E-03 -0.22794E-04 3887 0.378E-02 0.996E-02 RMM: 6 -0.374600234687E+03 0.58532E-04 -0.51442E-05 3257 0.208E-02 0.449E-02 RMM: 7 -0.374600260121E+03 -0.25434E-04 -0.47973E-05 3151 0.188E-02 0.843E-02 RMM: 8 -0.374600213629E+03 0.46493E-04 -0.35377E-05 2739 0.168E-02 0.235E-02 RMM: 9 -0.374600215300E+03 -0.16718E-05 -0.13527E-05 2466 0.103E-02 2479 T= 5958. E= 0.68153706E+03 F= 0.63224453E+03 E0= 0.66262803E+03 EK= 0.49293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373721826983E+03 0.87839E+00 -0.21060E-01 8868 0.223E+01 0.233E-01 RMM: 2 -0.373737047346E+03 -0.15220E-01 -0.12626E-01 5580 0.718E-01 0.806E-01 RMM: 3 -0.373731594847E+03 0.54525E-02 -0.72895E-03 5510 0.177E-01 0.180E-01 RMM: 4 -0.373731776256E+03 -0.18141E-03 -0.10098E-03 4662 0.728E-02 0.266E-01 RMM: 5 -0.373731336524E+03 0.43973E-03 -0.26940E-04 3900 0.408E-02 0.897E-02 RMM: 6 -0.373731292524E+03 0.44000E-04 -0.44314E-05 3123 0.193E-02 0.440E-02 RMM: 7 -0.373731309906E+03 -0.17382E-04 -0.42543E-05 2950 0.177E-02 2480 T= 5647. E= 0.67969926E+03 F= 0.63298575E+03 E0= 0.66336712E+03 EK= 0.46714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372765296437E+03 0.96600E+00 -0.18541E-01 8820 0.219E+01 0.233E-01 RMM: 2 -0.372779742922E+03 -0.14446E-01 -0.11465E-01 5495 0.697E-01 0.833E-01 RMM: 3 -0.372774263904E+03 0.54790E-02 -0.75966E-03 5569 0.177E-01 0.198E-01 RMM: 4 -0.372774310768E+03 -0.46864E-04 -0.98127E-04 4660 0.719E-02 0.241E-01 RMM: 5 -0.372773953114E+03 0.35765E-03 -0.24541E-04 3891 0.394E-02 0.882E-02 RMM: 6 -0.372773914515E+03 0.38599E-04 -0.46670E-05 3180 0.199E-02 0.510E-02 RMM: 7 -0.372773941254E+03 -0.26739E-04 -0.49872E-05 3217 0.188E-02 0.856E-02 RMM: 8 -0.372773896846E+03 0.44408E-04 -0.39307E-05 2929 0.186E-02 0.260E-02 RMM: 9 -0.372773898804E+03 -0.19578E-05 -0.13980E-05 2474 0.106E-02 2481 T= 5567. E= 0.67986311E+03 F= 0.63380881E+03 E0= 0.66418302E+03 EK= 0.46054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371780840602E+03 0.99306E+00 -0.16895E-01 8784 0.220E+01 0.234E-01 RMM: 2 -0.371795409940E+03 -0.14569E-01 -0.10632E-01 5387 0.677E-01 0.928E-01 RMM: 3 -0.371788920994E+03 0.64889E-02 -0.77007E-03 5581 0.180E-01 0.152E-01 RMM: 4 -0.371789100966E+03 -0.17997E-03 -0.89842E-04 4654 0.682E-02 0.256E-01 RMM: 5 -0.371788706729E+03 0.39424E-03 -0.23434E-04 3888 0.387E-02 0.944E-02 RMM: 6 -0.371788653737E+03 0.52992E-04 -0.64380E-05 3418 0.230E-02 0.413E-02 RMM: 7 -0.371788675703E+03 -0.21966E-04 -0.33562E-05 2720 0.159E-02 0.787E-02 RMM: 8 -0.371788635851E+03 0.39852E-04 -0.30808E-05 2610 0.169E-02 0.207E-02 RMM: 9 -0.371788637706E+03 -0.18550E-05 -0.10591E-05 2453 0.896E-03 2482 T= 5745. E= 0.68218423E+03 F= 0.63465608E+03 E0= 0.66501857E+03 EK= 0.47528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370790843438E+03 0.99779E+00 -0.16057E-01 8520 0.225E+01 0.187E-01 RMM: 2 -0.370802828143E+03 -0.11985E-01 -0.98822E-02 5369 0.654E-01 0.715E-01 RMM: 3 -0.370798610445E+03 0.42177E-02 -0.68269E-03 5780 0.161E-01 0.149E-01 RMM: 4 -0.370798556124E+03 0.54321E-04 -0.63132E-04 4659 0.580E-02 0.171E-01 RMM: 5 -0.370798383155E+03 0.17297E-03 -0.15997E-04 3879 0.327E-02 0.862E-02 RMM: 6 -0.370798357671E+03 0.25483E-04 -0.58068E-05 3364 0.215E-02 0.649E-02 RMM: 7 -0.370798366524E+03 -0.88521E-05 -0.45421E-05 3122 0.193E-02 2483 T= 6154. E= 0.68641558E+03 F= 0.63550796E+03 E0= 0.66585450E+03 EK= 0.50908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369773564847E+03 0.10248E+01 -0.17179E-01 8532 0.233E+01 0.183E-01 RMM: 2 -0.369786349771E+03 -0.12785E-01 -0.11202E-01 5339 0.711E-01 0.680E-01 RMM: 3 -0.369782550861E+03 0.37989E-02 -0.82497E-03 5911 0.174E-01 0.165E-01 RMM: 4 -0.369782344679E+03 0.20618E-03 -0.58252E-04 4628 0.545E-02 0.140E-01 RMM: 5 -0.369782208359E+03 0.13632E-03 -0.15234E-04 3878 0.337E-02 0.771E-02 RMM: 6 -0.369782251326E+03 -0.42967E-04 -0.96252E-05 3787 0.261E-02 0.115E-01 RMM: 7 -0.369782197646E+03 0.53680E-04 -0.65830E-05 3530 0.220E-02 0.863E-02 RMM: 8 -0.369782151382E+03 0.46264E-04 -0.30206E-05 2860 0.164E-02 0.290E-02 RMM: 9 -0.369782155864E+03 -0.44818E-05 -0.17711E-05 2485 0.116E-02 2484 T= 6692. E= 0.69174553E+03 F= 0.63638766E+03 E0= 0.66671554E+03 EK= 0.55358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368677132534E+03 0.11050E+01 -0.19393E-01 8832 0.241E+01 0.225E-01 RMM: 2 -0.368694998212E+03 -0.17866E-01 -0.13524E-01 5344 0.801E-01 0.981E-01 RMM: 3 -0.368687903406E+03 0.70948E-02 -0.10883E-02 5826 0.202E-01 0.184E-01 RMM: 4 -0.368687652786E+03 0.25062E-03 -0.84435E-04 4704 0.650E-02 0.167E-01 RMM: 5 -0.368687469358E+03 0.18343E-03 -0.20020E-04 3885 0.388E-02 0.874E-02 RMM: 6 -0.368687462206E+03 0.71517E-05 -0.93508E-05 3687 0.264E-02 2485 T= 7171. E= 0.69666971E+03 F= 0.63734822E+03 E0= 0.66765356E+03 EK= 0.59321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367458167632E+03 0.12293E+01 -0.21835E-01 8880 0.247E+01 0.281E-01 RMM: 2 -0.367486268657E+03 -0.28101E-01 -0.15573E-01 5432 0.845E-01 0.150E+00 RMM: 3 -0.367470410189E+03 0.15858E-01 -0.12656E-02 5411 0.248E-01 0.281E-01 RMM: 4 -0.367469925874E+03 0.48431E-03 -0.13592E-03 4828 0.738E-02 0.134E-01 RMM: 5 -0.367469806995E+03 0.11888E-03 -0.22982E-04 3918 0.411E-02 0.113E-01 RMM: 6 -0.367469817676E+03 -0.10681E-04 -0.13593E-04 3874 0.311E-02 2486 T= 7373. E= 0.69943117E+03 F= 0.63843264E+03 E0= 0.66871617E+03 EK= 0.60999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366126044309E+03 0.13438E+01 -0.23246E-01 8820 0.246E+01 0.584E-01 RMM: 2 -0.366218687742E+03 -0.92643E-01 -0.18791E-01 5281 0.100E+00 0.349E+00 RMM: 3 -0.366139068710E+03 0.79619E-01 -0.35172E-02 5141 0.469E-01 0.645E-01 RMM: 4 -0.366136184399E+03 0.28843E-02 -0.45327E-03 5329 0.147E-01 0.162E-01 RMM: 5 -0.366136127713E+03 0.56686E-04 -0.53858E-04 4233 0.497E-02 0.164E-01 RMM: 6 -0.366135981494E+03 0.14622E-03 -0.15673E-04 3879 0.339E-02 0.937E-02 RMM: 7 -0.366136054332E+03 -0.72839E-04 -0.12351E-04 3865 0.293E-02 0.140E-01 RMM: 8 -0.366135951670E+03 0.10266E-03 -0.77830E-05 3631 0.234E-02 0.732E-02 RMM: 9 -0.366135927459E+03 0.24211E-04 -0.31146E-05 2901 0.161E-02 0.439E-02 RMM: 10 -0.366135935840E+03 -0.83813E-05 -0.27063E-05 2569 0.149E-02 2487 T= 7193. E= 0.69913688E+03 F= 0.63963144E+03 E0= 0.66989440E+03 EK= 0.59505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364750173421E+03 0.13858E+01 -0.23582E-01 8652 0.239E+01 0.445E-01 RMM: 2 -0.364806700043E+03 -0.56527E-01 -0.16704E-01 5135 0.871E-01 0.254E+00 RMM: 3 -0.364762664846E+03 0.44035E-01 -0.23170E-02 5338 0.370E-01 0.513E-01 RMM: 4 -0.364760955464E+03 0.17094E-02 -0.32618E-03 5318 0.122E-01 0.158E-01 RMM: 5 -0.364761053447E+03 -0.97982E-04 -0.50939E-04 4388 0.526E-02 0.211E-01 RMM: 6 -0.364760784426E+03 0.26902E-03 -0.17631E-04 3882 0.357E-02 0.681E-02 RMM: 7 -0.364760810319E+03 -0.25893E-04 -0.69783E-05 3489 0.221E-02 0.922E-02 RMM: 8 -0.364760784405E+03 0.25914E-04 -0.41509E-05 3065 0.194E-02 0.583E-02 RMM: 9 -0.364760767366E+03 0.17039E-04 -0.18323E-05 2547 0.130E-02 2488 T= 6723. E= 0.69648012E+03 F= 0.64086657E+03 E0= 0.67111001E+03 EK= 0.55614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363447125247E+03 0.13137E+01 -0.23196E-01 8520 0.230E+01 0.275E-01 RMM: 2 -0.363468999533E+03 -0.21874E-01 -0.14953E-01 5397 0.801E-01 0.117E+00 RMM: 3 -0.363458575475E+03 0.10424E-01 -0.10863E-02 5432 0.231E-01 0.234E-01 RMM: 4 -0.363458522070E+03 0.53405E-04 -0.13803E-03 4811 0.838E-02 0.240E-01 RMM: 5 -0.363458258308E+03 0.26376E-03 -0.29356E-04 3936 0.430E-02 0.149E-01 RMM: 6 -0.363458126700E+03 0.13161E-03 -0.10716E-04 3823 0.291E-02 0.598E-02 RMM: 7 -0.363458201180E+03 -0.74480E-04 -0.95820E-05 3845 0.254E-02 0.123E-01 RMM: 8 -0.363458108165E+03 0.93015E-04 -0.54971E-05 3301 0.213E-02 0.401E-02 RMM: 9 -0.363458100071E+03 0.80942E-05 -0.14166E-05 2489 0.109E-02 2489 T= 6180. E= 0.69314599E+03 F= 0.64202199E+03 E0= 0.67224940E+03 EK= 0.51124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362324886796E+03 0.11332E+01 -0.22011E-01 8748 0.222E+01 0.276E-01 RMM: 2 -0.362347044854E+03 -0.22158E-01 -0.14728E-01 5312 0.807E-01 0.120E+00 RMM: 3 -0.362336220938E+03 0.10824E-01 -0.11472E-02 5462 0.234E-01 0.211E-01 RMM: 4 -0.362336241591E+03 -0.20652E-04 -0.13432E-03 4775 0.822E-02 0.240E-01 RMM: 5 -0.362335940951E+03 0.30064E-03 -0.27431E-04 3909 0.415E-02 0.133E-01 RMM: 6 -0.362335829700E+03 0.11125E-03 -0.81753E-05 3574 0.258E-02 0.471E-02 RMM: 7 -0.362335860071E+03 -0.30371E-04 -0.49419E-05 3167 0.194E-02 0.869E-02 RMM: 8 -0.362335814168E+03 0.45903E-04 -0.39856E-05 2889 0.186E-02 0.356E-02 RMM: 9 -0.362335807590E+03 0.65783E-05 -0.12533E-05 2467 0.103E-02 2490 T= 5765. E= 0.69068368E+03 F= 0.64298930E+03 E0= 0.67320370E+03 EK= 0.47694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361455933181E+03 0.87988E+00 -0.20367E-01 8880 0.218E+01 0.251E-01 RMM: 2 -0.361473326681E+03 -0.17393E-01 -0.13057E-01 5296 0.767E-01 0.965E-01 RMM: 3 -0.361466012377E+03 0.73143E-02 -0.97534E-03 5449 0.216E-01 0.209E-01 RMM: 4 -0.361466055816E+03 -0.43439E-04 -0.11862E-03 4739 0.780E-02 0.243E-01 RMM: 5 -0.361465754594E+03 0.30122E-03 -0.25009E-04 3905 0.389E-02 0.130E-01 RMM: 6 -0.361465651799E+03 0.10279E-03 -0.75696E-05 3511 0.249E-02 0.461E-02 RMM: 7 -0.361465699896E+03 -0.48097E-04 -0.64842E-05 3445 0.215E-02 0.101E-01 RMM: 8 -0.361465635660E+03 0.64236E-04 -0.38182E-05 2987 0.187E-02 0.249E-02 RMM: 9 -0.361465634273E+03 0.13873E-05 -0.11285E-05 2461 0.944E-03 2491 T= 5595. E= 0.68998295E+03 F= 0.64369830E+03 E0= 0.67390312E+03 EK= 0.46285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360868136069E+03 0.59750E+00 -0.18578E-01 8808 0.219E+01 0.239E-01 RMM: 2 -0.360885490936E+03 -0.17355E-01 -0.12147E-01 5256 0.746E-01 0.102E+00 RMM: 3 -0.360877550653E+03 0.79403E-02 -0.93359E-03 5513 0.206E-01 0.199E-01 RMM: 4 -0.360877482237E+03 0.68416E-04 -0.10282E-03 4707 0.726E-02 0.197E-01 RMM: 5 -0.360877290858E+03 0.19138E-03 -0.21908E-04 3883 0.362E-02 0.124E-01 RMM: 6 -0.360877201146E+03 0.89713E-04 -0.82142E-05 3570 0.258E-02 0.510E-02 RMM: 7 -0.360877242965E+03 -0.41819E-04 -0.52634E-05 3251 0.199E-02 0.981E-02 RMM: 8 -0.360877181142E+03 0.61823E-04 -0.34624E-05 2904 0.184E-02 0.303E-02 RMM: 9 -0.360877176809E+03 0.43323E-05 -0.96797E-06 2454 0.876E-03 2492 T= 5709. E= 0.69134907E+03 F= 0.64412251E+03 E0= 0.67432064E+03 EK= 0.47227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360556041593E+03 0.32114E+00 -0.17177E-01 8868 0.225E+01 0.198E-01 RMM: 2 -0.360568074762E+03 -0.12033E-01 -0.93865E-02 5454 0.651E-01 0.775E-01 RMM: 3 -0.360563196474E+03 0.48783E-02 -0.62207E-03 5621 0.165E-01 0.150E-01 RMM: 4 -0.360563209579E+03 -0.13105E-04 -0.65156E-04 4632 0.582E-02 0.186E-01 RMM: 5 -0.360563013366E+03 0.19621E-03 -0.18184E-04 3878 0.350E-02 0.991E-02 RMM: 6 -0.360562977366E+03 0.36000E-04 -0.80110E-05 3558 0.249E-02 0.705E-02 RMM: 7 -0.360562998011E+03 -0.20645E-04 -0.51176E-05 3227 0.206E-02 0.955E-02 RMM: 8 -0.360562937832E+03 0.60179E-04 -0.28613E-05 2867 0.171E-02 0.217E-02 RMM: 9 -0.360562938761E+03 -0.92846E-06 -0.10229E-05 2452 0.860E-03 2493 T= 6087. E= 0.69462735E+03 F= 0.64427299E+03 E0= 0.67446713E+03 EK= 0.50354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360475779898E+03 0.87158E-01 -0.17608E-01 8748 0.235E+01 0.202E-01 RMM: 2 -0.360488293882E+03 -0.12514E-01 -0.94671E-02 5337 0.688E-01 0.847E-01 RMM: 3 -0.360483204435E+03 0.50894E-02 -0.76715E-03 5737 0.177E-01 0.181E-01 RMM: 4 -0.360482990324E+03 0.21411E-03 -0.63171E-04 4670 0.559E-02 0.131E-01 RMM: 5 -0.360482889897E+03 0.10043E-03 -0.18013E-04 3875 0.369E-02 0.948E-02 RMM: 6 -0.360482871050E+03 0.18847E-04 -0.87700E-05 3692 0.259E-02 2494 T= 6636. E= 0.69909054E+03 F= 0.64419229E+03 E0= 0.67438432E+03 EK= 0.54898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360565598187E+03 -0.82708E-01 -0.18608E-01 8328 0.246E+01 0.370E-01 RMM: 2 -0.360602719923E+03 -0.37122E-01 -0.10487E-01 5344 0.767E-01 0.211E+00 RMM: 3 -0.360572916391E+03 0.29804E-01 -0.15690E-02 5339 0.304E-01 0.311E-01 RMM: 4 -0.360572292389E+03 0.62400E-03 -0.16546E-03 4794 0.771E-02 0.126E-01 RMM: 5 -0.360572209375E+03 0.83013E-04 -0.28030E-04 3989 0.474E-02 0.132E-01 RMM: 6 -0.360572148046E+03 0.61329E-04 -0.16167E-04 3876 0.350E-02 0.105E-01 RMM: 7 -0.360572227401E+03 -0.79354E-04 -0.14742E-04 3882 0.331E-02 0.155E-01 RMM: 8 -0.360572073760E+03 0.15364E-03 -0.84124E-05 3612 0.267E-02 0.470E-02 RMM: 9 -0.360572070106E+03 0.36542E-05 -0.20551E-05 2553 0.128E-02 2495 T= 7170. E= 0.70326035E+03 F= 0.64394581E+03 E0= 0.67413667E+03 EK= 0.59315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360751845063E+03 -0.17977E+00 -0.19160E-01 7788 0.254E+01 0.312E-01 RMM: 2 -0.360781027361E+03 -0.29182E-01 -0.96098E-02 5349 0.737E-01 0.182E+00 RMM: 3 -0.360758972619E+03 0.22055E-01 -0.12035E-02 5347 0.264E-01 0.323E-01 RMM: 4 -0.360758319593E+03 0.65303E-03 -0.15522E-03 4674 0.841E-02 0.142E-01 RMM: 5 -0.360758289755E+03 0.29839E-04 -0.31527E-04 4265 0.494E-02 0.155E-01 RMM: 6 -0.360758142445E+03 0.14731E-03 -0.12348E-04 3847 0.303E-02 0.581E-02 RMM: 7 -0.360758178412E+03 -0.35968E-04 -0.68748E-05 3470 0.223E-02 0.101E-01 RMM: 8 -0.360758112791E+03 0.65621E-04 -0.37839E-05 3056 0.199E-02 0.217E-02 RMM: 9 -0.360758111439E+03 0.13523E-05 -0.71291E-06 2445 0.736E-03 2496 T= 7451. E= 0.70524534E+03 F= 0.64360411E+03 E0= 0.67379447E+03 EK= 0.61641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360983234962E+03 -0.22512E+00 -0.19639E-01 7848 0.254E+01 0.262E-01 RMM: 2 -0.361002924991E+03 -0.19690E-01 -0.10223E-01 5074 0.779E-01 0.133E+00 RMM: 3 -0.360991354970E+03 0.11570E-01 -0.11276E-02 5410 0.238E-01 0.244E-01 RMM: 4 -0.360990999038E+03 0.35593E-03 -0.10319E-03 4657 0.684E-02 0.124E-01 RMM: 5 -0.360990915479E+03 0.83559E-04 -0.25991E-04 4063 0.459E-02 0.115E-01 RMM: 6 -0.360990878768E+03 0.36710E-04 -0.12179E-04 3857 0.298E-02 0.958E-02 RMM: 7 -0.360990898958E+03 -0.20190E-04 -0.93336E-05 3793 0.263E-02 0.117E-01 RMM: 8 -0.360990809710E+03 0.89249E-04 -0.46869E-05 3226 0.207E-02 0.334E-02 RMM: 9 -0.360990806279E+03 0.34313E-05 -0.11943E-05 2473 0.978E-03 2497 T= 7334. E= 0.70388280E+03 F= 0.64321376E+03 E0= 0.67340345E+03 EK= 0.60669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361256481471E+03 -0.26567E+00 -0.18858E-01 7680 0.249E+01 0.241E-01 RMM: 2 -0.361268969201E+03 -0.12488E-01 -0.76335E-02 5169 0.677E-01 0.103E+00 RMM: 3 -0.361262107138E+03 0.68621E-02 -0.75200E-03 5423 0.191E-01 0.178E-01 RMM: 4 -0.361262091407E+03 0.15732E-04 -0.79619E-04 4609 0.652E-02 0.197E-01 RMM: 5 -0.361261884258E+03 0.20715E-03 -0.22614E-04 3893 0.409E-02 0.114E-01 RMM: 6 -0.361261820124E+03 0.64134E-04 -0.10234E-04 3715 0.285E-02 0.642E-02 RMM: 7 -0.361261859377E+03 -0.39253E-04 -0.52874E-05 3280 0.206E-02 0.106E-01 RMM: 8 -0.361261786807E+03 0.72569E-04 -0.30339E-05 2879 0.180E-02 0.252E-02 RMM: 9 -0.361261784862E+03 0.19456E-05 -0.83268E-06 2451 0.817E-03 2498 T= 6880. E= 0.69969786E+03 F= 0.64277885E+03 E0= 0.67296734E+03 EK= 0.56919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361585995488E+03 -0.32421E+00 -0.17875E-01 7680 0.239E+01 0.232E-01 RMM: 2 -0.361597038943E+03 -0.11043E-01 -0.80590E-02 4927 0.686E-01 0.849E-01 RMM: 3 -0.361592178451E+03 0.48605E-02 -0.82043E-03 5430 0.192E-01 0.173E-01 RMM: 4 -0.361592318621E+03 -0.14017E-03 -0.93089E-04 4673 0.742E-02 0.249E-01 RMM: 5 -0.361591976256E+03 0.34236E-03 -0.26550E-04 4005 0.432E-02 0.119E-01 RMM: 6 -0.361591899258E+03 0.76999E-04 -0.81732E-05 3564 0.254E-02 0.563E-02 RMM: 7 -0.361591928243E+03 -0.28985E-04 -0.56589E-05 3323 0.210E-02 0.927E-02 RMM: 8 -0.361591872129E+03 0.56114E-04 -0.31627E-05 2921 0.182E-02 0.221E-02 RMM: 9 -0.361591872140E+03 -0.11292E-07 -0.82144E-06 2449 0.794E-03 2499 T= 6308. E= 0.69446032E+03 F= 0.64227504E+03 E0= 0.67246100E+03 EK= 0.52185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362005258916E+03 -0.41339E+00 -0.15898E-01 7572 0.229E+01 0.253E-01 RMM: 2 -0.362014861015E+03 -0.96021E-02 -0.62592E-02 5205 0.601E-01 0.897E-01 RMM: 3 -0.362009516918E+03 0.53441E-02 -0.59423E-03 5356 0.169E-01 0.177E-01 RMM: 4 -0.362009840837E+03 -0.32392E-03 -0.96461E-04 4631 0.748E-02 0.299E-01 RMM: 5 -0.362009304997E+03 0.53584E-03 -0.29818E-04 3968 0.446E-02 0.113E-01 RMM: 6 -0.362009233252E+03 0.71744E-04 -0.77991E-05 3551 0.249E-02 0.543E-02 RMM: 7 -0.362009265973E+03 -0.32721E-04 -0.51888E-05 3250 0.198E-02 0.955E-02 RMM: 8 -0.362009207230E+03 0.58743E-04 -0.31567E-05 2899 0.180E-02 0.229E-02 RMM: 9 -0.362009208894E+03 -0.16639E-05 -0.98804E-06 2458 0.885E-03 2500 T= 5833. E= 0.68992586E+03 F= 0.64167254E+03 E0= 0.67185422E+03 EK= 0.48253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362525692409E+03 -0.51649E+00 -0.15199E-01 7752 0.222E+01 0.241E-01 RMM: 2 -0.362534058342E+03 -0.83659E-02 -0.59192E-02 5209 0.566E-01 0.810E-01 RMM: 3 -0.362529722408E+03 0.43359E-02 -0.52544E-03 5420 0.156E-01 0.179E-01 RMM: 4 -0.362529969826E+03 -0.24742E-03 -0.94630E-04 4621 0.745E-02 0.281E-01 RMM: 5 -0.362529497816E+03 0.47201E-03 -0.29881E-04 3947 0.444E-02 0.114E-01 RMM: 6 -0.362529432346E+03 0.65469E-04 -0.82163E-05 3595 0.254E-02 0.616E-02 RMM: 7 -0.362529454467E+03 -0.22120E-04 -0.50009E-05 3226 0.197E-02 0.910E-02 RMM: 8 -0.362529400973E+03 0.53494E-04 -0.29679E-05 2870 0.175E-02 0.225E-02 RMM: 9 -0.362529402693E+03 -0.17204E-05 -0.90039E-06 2452 0.823E-03 2501 T= 5583. E= 0.68714138E+03 F= 0.64095664E+03 E0= 0.67113252E+03 EK= 0.46185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363142241194E+03 -0.61284E+00 -0.15057E-01 7836 0.220E+01 0.224E-01 RMM: 2 -0.363150342012E+03 -0.81008E-02 -0.60049E-02 5240 0.549E-01 0.745E-01 RMM: 3 -0.363146372423E+03 0.39696E-02 -0.52260E-03 5449 0.154E-01 0.161E-01 RMM: 4 -0.363146605163E+03 -0.23274E-03 -0.79886E-04 4628 0.680E-02 0.267E-01 RMM: 5 -0.363146162906E+03 0.44226E-03 -0.27255E-04 3928 0.428E-02 0.979E-02 RMM: 6 -0.363146132396E+03 0.30510E-04 -0.82007E-05 3618 0.250E-02 0.762E-02 RMM: 7 -0.363146138969E+03 -0.65731E-05 -0.49398E-05 3212 0.198E-02 2502 T= 5603. E= 0.68649195E+03 F= 0.64013685E+03 E0= 0.67030526E+03 EK= 0.46355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363820735542E+03 -0.67460E+00 -0.15585E-01 8316 0.222E+01 0.209E-01 RMM: 2 -0.363828552049E+03 -0.78165E-02 -0.64858E-02 5423 0.542E-01 0.651E-01 RMM: 3 -0.363825343870E+03 0.32082E-02 -0.46565E-03 5489 0.143E-01 0.171E-01 RMM: 4 -0.363825428031E+03 -0.84162E-04 -0.68791E-04 4628 0.621E-02 0.231E-01 RMM: 5 -0.363825080772E+03 0.34726E-03 -0.27642E-04 3910 0.441E-02 0.882E-02 RMM: 6 -0.363825123216E+03 -0.42443E-04 -0.12632E-04 3880 0.298E-02 0.123E-01 RMM: 7 -0.363825062214E+03 0.61002E-04 -0.55769E-05 3382 0.215E-02 0.866E-02 RMM: 8 -0.363825014246E+03 0.47968E-04 -0.24977E-05 2763 0.153E-02 0.241E-02 RMM: 9 -0.363825019602E+03 -0.53558E-05 -0.12483E-05 2474 0.958E-03 2503 T= 5882. E= 0.68791142E+03 F= 0.63925189E+03 E0= 0.66941044E+03 EK= 0.48660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364495783026E+03 -0.67077E+00 -0.16920E-01 8760 0.228E+01 0.181E-01 RMM: 2 -0.364505566158E+03 -0.97831E-02 -0.82316E-02 5355 0.604E-01 0.658E-01 RMM: 3 -0.364502079267E+03 0.34869E-02 -0.60691E-03 5688 0.154E-01 0.146E-01 RMM: 4 -0.364502015318E+03 0.63949E-04 -0.60884E-04 4638 0.582E-02 0.169E-01 RMM: 5 -0.364501836601E+03 0.17872E-03 -0.22320E-04 3903 0.408E-02 0.906E-02 RMM: 6 -0.364501848217E+03 -0.11616E-04 -0.10548E-04 3824 0.278E-02 2504 T= 6348. E= 0.69088723E+03 F= 0.63836981E+03 E0= 0.66851631E+03 EK= 0.52517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365082308102E+03 -0.58047E+00 -0.19259E-01 8844 0.236E+01 0.328E-01 RMM: 2 -0.365109289116E+03 -0.26981E-01 -0.10786E-01 5424 0.701E-01 0.169E+00 RMM: 3 -0.365089861822E+03 0.19427E-01 -0.12590E-02 5378 0.259E-01 0.267E-01 RMM: 4 -0.365089469643E+03 0.39218E-03 -0.13764E-03 4703 0.740E-02 0.163E-01 RMM: 5 -0.365089347699E+03 0.12194E-03 -0.39215E-04 4413 0.539E-02 0.157E-01 RMM: 6 -0.365089260325E+03 0.87374E-04 -0.22184E-04 3893 0.394E-02 0.116E-01 RMM: 7 -0.365089353581E+03 -0.93256E-04 -0.15729E-04 3886 0.335E-02 0.170E-01 RMM: 8 -0.365089167993E+03 0.18559E-03 -0.95372E-05 3710 0.280E-02 0.444E-02 RMM: 9 -0.365089163583E+03 0.44101E-05 -0.19370E-05 2566 0.124E-02 2505 T= 6858. E= 0.69431628E+03 F= 0.63757993E+03 E0= 0.66771352E+03 EK= 0.56736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365492443454E+03 -0.40328E+00 -0.21134E-01 8808 0.242E+01 0.289E-01 RMM: 2 -0.365522729982E+03 -0.30287E-01 -0.12751E-01 5450 0.731E-01 0.172E+00 RMM: 3 -0.365502140552E+03 0.20589E-01 -0.12782E-02 5372 0.255E-01 0.268E-01 RMM: 4 -0.365501721680E+03 0.41887E-03 -0.15187E-03 4737 0.780E-02 0.157E-01 RMM: 5 -0.365501598082E+03 0.12360E-03 -0.28085E-04 3927 0.458E-02 0.124E-01 RMM: 6 -0.365501512443E+03 0.85639E-04 -0.12626E-04 3872 0.310E-02 0.759E-02 RMM: 7 -0.365501576098E+03 -0.63655E-04 -0.98730E-05 3803 0.257E-02 0.133E-01 RMM: 8 -0.365501461150E+03 0.11495E-03 -0.58188E-05 3382 0.228E-02 0.296E-02 RMM: 9 -0.365501457675E+03 0.34752E-05 -0.10600E-05 2470 0.926E-03 2506 T= 7210. E= 0.69661536E+03 F= 0.63696696E+03 E0= 0.66708542E+03 EK= 0.59648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365681674934E+03 -0.18021E+00 -0.23246E-01 8892 0.244E+01 0.253E-01 RMM: 2 -0.365702062867E+03 -0.20388E-01 -0.14602E-01 5477 0.763E-01 0.108E+00 RMM: 3 -0.365692934461E+03 0.91284E-02 -0.10971E-02 5443 0.215E-01 0.227E-01 RMM: 4 -0.365692717685E+03 0.21678E-03 -0.11497E-03 4712 0.714E-02 0.174E-01 RMM: 5 -0.365692508199E+03 0.20949E-03 -0.32788E-04 4051 0.483E-02 0.112E-01 RMM: 6 -0.365692534244E+03 -0.26045E-04 -0.16429E-04 3891 0.339E-02 0.132E-01 RMM: 7 -0.365692493020E+03 0.41223E-04 -0.87354E-05 3777 0.255E-02 0.116E-01 RMM: 8 -0.365692409214E+03 0.83806E-04 -0.41027E-05 3162 0.189E-02 0.317E-02 RMM: 9 -0.365692409571E+03 -0.35741E-06 -0.15329E-05 2482 0.109E-02 2507 T= 7240. E= 0.69646809E+03 F= 0.63657406E+03 E0= 0.66667598E+03 EK= 0.59894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365669917102E+03 0.22492E-01 -0.24236E-01 8940 0.240E+01 0.234E-01 RMM: 2 -0.365689123029E+03 -0.19206E-01 -0.15510E-01 5544 0.760E-01 0.907E-01 RMM: 3 -0.365681720010E+03 0.74030E-02 -0.10032E-02 5642 0.198E-01 0.173E-01 RMM: 4 -0.365681814411E+03 -0.94401E-04 -0.10697E-03 4688 0.729E-02 0.241E-01 RMM: 5 -0.365681478231E+03 0.33618E-03 -0.32145E-04 4011 0.462E-02 0.116E-01 RMM: 6 -0.365681429896E+03 0.48335E-04 -0.12944E-04 3872 0.307E-02 0.835E-02 RMM: 7 -0.365681461574E+03 -0.31679E-04 -0.69045E-05 3525 0.229E-02 0.112E-01 RMM: 8 -0.365681379317E+03 0.82257E-04 -0.35928E-05 3033 0.189E-02 0.228E-02 RMM: 9 -0.365681380017E+03 -0.69981E-06 -0.10103E-05 2462 0.873E-03 2508 T= 6937. E= 0.69376885E+03 F= 0.63637749E+03 E0= 0.66646111E+03 EK= 0.57391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365533369863E+03 0.14801E+00 -0.24370E-01 8880 0.232E+01 0.254E-01 RMM: 2 -0.365550620401E+03 -0.17251E-01 -0.15799E-01 5755 0.765E-01 0.707E-01 RMM: 3 -0.365545376277E+03 0.52441E-02 -0.89157E-03 5500 0.192E-01 0.173E-01 RMM: 4 -0.365545779042E+03 -0.40276E-03 -0.12319E-03 4690 0.818E-02 0.323E-01 RMM: 5 -0.365545101533E+03 0.67751E-03 -0.43420E-04 4125 0.524E-02 0.833E-02 RMM: 6 -0.365545110162E+03 -0.86286E-05 -0.98924E-05 3810 0.260E-02 2509 T= 6455. E= 0.68969569E+03 F= 0.63629641E+03 E0= 0.66636126E+03 EK= 0.53399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365373831948E+03 0.17127E+00 -0.22882E-01 8772 0.223E+01 0.352E-01 RMM: 2 -0.365400672802E+03 -0.26841E-01 -0.15889E-01 5639 0.772E-01 0.144E+00 RMM: 3 -0.365385046893E+03 0.15626E-01 -0.11565E-02 5372 0.240E-01 0.261E-01 RMM: 4 -0.365385393621E+03 -0.34673E-03 -0.18776E-03 4828 0.962E-02 0.362E-01 RMM: 5 -0.365384670631E+03 0.72299E-03 -0.48430E-04 4315 0.542E-02 0.177E-01 RMM: 6 -0.365384491187E+03 0.17944E-03 -0.18370E-04 3878 0.359E-02 0.715E-02 RMM: 7 -0.365384571571E+03 -0.80383E-04 -0.99500E-05 3771 0.262E-02 0.135E-01 RMM: 8 -0.365384455666E+03 0.11590E-03 -0.50912E-05 3282 0.213E-02 0.397E-02 RMM: 9 -0.365384449435E+03 0.62315E-05 -0.15323E-05 2502 0.112E-02 2510 T= 5994. E= 0.68581677E+03 F= 0.63622773E+03 E0= 0.66627150E+03 EK= 0.49589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365276708007E+03 0.10775E+00 -0.21361E-01 8880 0.216E+01 0.333E-01 RMM: 2 -0.365302123360E+03 -0.25415E-01 -0.14859E-01 5529 0.748E-01 0.140E+00 RMM: 3 -0.365287320696E+03 0.14803E-01 -0.11007E-02 5379 0.235E-01 0.278E-01 RMM: 4 -0.365287301502E+03 0.19194E-04 -0.19327E-03 4837 0.981E-02 0.295E-01 RMM: 5 -0.365286924295E+03 0.37721E-03 -0.45034E-04 4324 0.544E-02 0.188E-01 RMM: 6 -0.365286695258E+03 0.22904E-03 -0.14245E-04 3875 0.316E-02 0.441E-02 RMM: 7 -0.365286736993E+03 -0.41736E-04 -0.52298E-05 3279 0.190E-02 0.957E-02 RMM: 8 -0.365286680006E+03 0.56987E-04 -0.33233E-05 2911 0.186E-02 0.255E-02 RMM: 9 -0.365286677834E+03 0.21722E-05 -0.83657E-06 2453 0.824E-03 2511 T= 5705. E= 0.68327958E+03 F= 0.63608465E+03 E0= 0.66610787E+03 EK= 0.47195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365296421530E+03 -0.97415E-02 -0.19940E-01 8988 0.214E+01 0.294E-01 RMM: 2 -0.365315077854E+03 -0.18656E-01 -0.13153E-01 5653 0.694E-01 0.106E+00 RMM: 3 -0.365305827097E+03 0.92508E-02 -0.79384E-03 5406 0.193E-01 0.210E-01 RMM: 4 -0.365306318658E+03 -0.49156E-03 -0.15024E-03 4691 0.897E-02 0.361E-01 RMM: 5 -0.365305530380E+03 0.78828E-03 -0.49663E-04 4384 0.575E-02 0.127E-01 RMM: 6 -0.365305441442E+03 0.88938E-04 -0.10946E-04 3837 0.269E-02 0.628E-02 RMM: 7 -0.365305483554E+03 -0.42113E-04 -0.65666E-05 3464 0.217E-02 0.108E-01 RMM: 8 -0.365305409543E+03 0.74011E-04 -0.35198E-05 3040 0.189E-02 0.279E-02 RMM: 9 -0.365305407581E+03 0.19618E-05 -0.94626E-06 2464 0.853E-03 2512 T= 5658. E= 0.68262747E+03 F= 0.63581675E+03 E0= 0.66582019E+03 EK= 0.46811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365448140799E+03 -0.14273E+00 -0.18927E-01 9048 0.216E+01 0.256E-01 RMM: 2 -0.365462985433E+03 -0.14845E-01 -0.12331E-01 5599 0.678E-01 0.816E-01 RMM: 3 -0.365457154373E+03 0.58311E-02 -0.69453E-03 5588 0.173E-01 0.164E-01 RMM: 4 -0.365457512158E+03 -0.35779E-03 -0.11258E-03 4662 0.798E-02 0.309E-01 RMM: 5 -0.365456919941E+03 0.59222E-03 -0.39919E-04 4058 0.514E-02 0.109E-01 RMM: 6 -0.365456887458E+03 0.32483E-04 -0.12511E-04 3861 0.298E-02 0.868E-02 RMM: 7 -0.365456898052E+03 -0.10594E-04 -0.49417E-05 3266 0.204E-02 2513 T= 5864. E= 0.68392620E+03 F= 0.63541260E+03 E0= 0.66539784E+03 EK= 0.48514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365709770384E+03 -0.25288E+00 -0.19069E-01 9036 0.223E+01 0.242E-01 RMM: 2 -0.365723248802E+03 -0.13478E-01 -0.12378E-01 5620 0.685E-01 0.646E-01 RMM: 3 -0.365719009985E+03 0.42388E-02 -0.69380E-03 5700 0.168E-01 0.190E-01 RMM: 4 -0.365719211684E+03 -0.20170E-03 -0.97256E-04 4662 0.746E-02 0.297E-01 RMM: 5 -0.365718656376E+03 0.55531E-03 -0.51256E-04 4476 0.607E-02 0.961E-02 RMM: 6 -0.365718734408E+03 -0.78032E-04 -0.17033E-04 3876 0.329E-02 0.149E-01 RMM: 7 -0.365718622212E+03 0.11220E-03 -0.84066E-05 3699 0.279E-02 0.796E-02 RMM: 8 -0.365718583709E+03 0.38503E-04 -0.24389E-05 2801 0.150E-02 0.307E-02 RMM: 9 -0.365718586134E+03 -0.24248E-05 -0.14822E-05 2485 0.108E-02 2514 T= 6274. E= 0.68680368E+03 F= 0.63489939E+03 E0= 0.66486921E+03 EK= 0.51904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366021576927E+03 -0.30299E+00 -0.19881E-01 8988 0.233E+01 0.193E-01 RMM: 2 -0.366035665465E+03 -0.14089E-01 -0.13125E-01 5426 0.732E-01 0.611E-01 RMM: 3 -0.366031964293E+03 0.37012E-02 -0.87665E-03 6156 0.173E-01 0.147E-01 RMM: 4 -0.366031842150E+03 0.12214E-03 -0.68874E-04 4667 0.619E-02 0.188E-01 RMM: 5 -0.366031623683E+03 0.21847E-03 -0.29842E-04 4049 0.482E-02 0.937E-02 RMM: 6 -0.366031671461E+03 -0.47778E-04 -0.15156E-04 3873 0.326E-02 0.128E-01 RMM: 7 -0.366031589422E+03 0.82039E-04 -0.53478E-05 3325 0.224E-02 0.713E-02 RMM: 8 -0.366031557067E+03 0.32355E-04 -0.16213E-05 2530 0.122E-02 0.202E-02 RMM: 9 -0.366031556574E+03 0.49317E-06 -0.76473E-06 2439 0.779E-03 2515 T= 6768. E= 0.69033137E+03 F= 0.63433866E+03 E0= 0.66429673E+03 EK= 0.55993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366304953773E+03 -0.27340E+00 -0.21155E-01 8772 0.242E+01 0.213E-01 RMM: 2 -0.366319514478E+03 -0.14561E-01 -0.14169E-01 5409 0.780E-01 0.562E-01 RMM: 3 -0.366316394997E+03 0.31195E-02 -0.99390E-03 6226 0.180E-01 0.171E-01 RMM: 4 -0.366316225550E+03 0.16945E-03 -0.71388E-04 4666 0.657E-02 0.212E-01 RMM: 5 -0.366315920959E+03 0.30459E-03 -0.44007E-04 4489 0.580E-02 0.947E-02 RMM: 6 -0.366316111520E+03 -0.19056E-03 -0.25561E-04 3881 0.409E-02 0.197E-01 RMM: 7 -0.366315881587E+03 0.22993E-03 -0.12165E-04 3856 0.332E-02 0.717E-02 RMM: 8 -0.366315851365E+03 0.30222E-04 -0.20353E-05 2596 0.131E-02 0.353E-02 RMM: 9 -0.366315850311E+03 0.10549E-05 -0.19548E-05 2495 0.126E-02 2516 T= 7160. E= 0.69304416E+03 F= 0.63380999E+03 E0= 0.66376135E+03 EK= 0.59234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366491501610E+03 -0.17565E+00 -0.21533E-01 8832 0.247E+01 0.207E-01 RMM: 2 -0.366506161942E+03 -0.14660E-01 -0.14011E-01 5390 0.783E-01 0.597E-01 RMM: 3 -0.366502780152E+03 0.33818E-02 -0.10069E-02 6230 0.180E-01 0.159E-01 RMM: 4 -0.366502629562E+03 0.15059E-03 -0.72766E-04 4687 0.655E-02 0.203E-01 RMM: 5 -0.366502353056E+03 0.27651E-03 -0.35396E-04 4317 0.522E-02 0.878E-02 RMM: 6 -0.366502505096E+03 -0.15204E-03 -0.19729E-04 3878 0.364E-02 0.177E-01 RMM: 7 -0.366502324243E+03 0.18085E-03 -0.83715E-05 3638 0.276E-02 0.735E-02 RMM: 8 -0.366502290684E+03 0.33559E-04 -0.21339E-05 2601 0.135E-02 0.282E-02 RMM: 9 -0.366502290769E+03 -0.85052E-07 -0.15045E-05 2473 0.110E-02 2517 T= 7270. E= 0.69351852E+03 F= 0.63337920E+03 E0= 0.66332899E+03 EK= 0.60139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366559133195E+03 -0.56843E-01 -0.20488E-01 8592 0.246E+01 0.230E-01 RMM: 2 -0.366571576498E+03 -0.12443E-01 -0.12662E-01 5472 0.731E-01 0.488E-01 RMM: 3 -0.366568802855E+03 0.27736E-02 -0.82956E-03 6231 0.170E-01 0.170E-01 RMM: 4 -0.366568949959E+03 -0.14710E-03 -0.85490E-04 4675 0.724E-02 0.290E-01 RMM: 5 -0.366568414667E+03 0.53529E-03 -0.42613E-04 4379 0.551E-02 0.889E-02 RMM: 6 -0.366568522124E+03 -0.10746E-03 -0.19356E-04 3872 0.361E-02 0.159E-01 RMM: 7 -0.366568372720E+03 0.14940E-03 -0.85426E-05 3654 0.283E-02 0.610E-02 RMM: 8 -0.366568350889E+03 0.21832E-04 -0.15042E-05 2532 0.115E-02 0.288E-02 RMM: 9 -0.366568350977E+03 -0.88123E-07 -0.11758E-05 2457 0.962E-03 2518 T= 7043. E= 0.69132817E+03 F= 0.63306370E+03 E0= 0.66301671E+03 EK= 0.58264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366545991591E+03 0.22359E-01 -0.18912E-01 8448 0.241E+01 0.262E-01 RMM: 2 -0.366557244542E+03 -0.11253E-01 -0.11152E-01 5469 0.686E-01 0.573E-01 RMM: 3 -0.366553894540E+03 0.33500E-02 -0.69301E-03 5777 0.168E-01 0.192E-01 RMM: 4 -0.366554359711E+03 -0.46517E-03 -0.10948E-03 4679 0.800E-02 0.354E-01 RMM: 5 -0.366553556358E+03 0.80335E-03 -0.46476E-04 4405 0.563E-02 0.949E-02 RMM: 6 -0.366553570100E+03 -0.13742E-04 -0.13099E-04 3855 0.296E-02 2519 T= 6596. E= 0.68738276E+03 F= 0.63281879E+03 E0= 0.66277981E+03 EK= 0.54564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366532235899E+03 0.21320E-01 -0.16816E-01 8148 0.233E+01 0.391E-01 RMM: 2 -0.366556117532E+03 -0.23882E-01 -0.99169E-02 5368 0.689E-01 0.162E+00 RMM: 3 -0.366538338370E+03 0.17779E-01 -0.11733E-02 5363 0.250E-01 0.296E-01 RMM: 4 -0.366538672991E+03 -0.33462E-03 -0.21756E-03 4992 0.107E-01 0.385E-01 RMM: 5 -0.366537979554E+03 0.69344E-03 -0.66553E-04 4608 0.661E-02 0.236E-01 RMM: 6 -0.366537646637E+03 0.33292E-03 -0.26743E-04 3899 0.427E-02 0.853E-02 RMM: 7 -0.366537732980E+03 -0.86344E-04 -0.13281E-04 3871 0.309E-02 0.146E-01 RMM: 8 -0.366537597324E+03 0.13566E-03 -0.69296E-05 3529 0.250E-02 0.503E-02 RMM: 9 -0.366537584231E+03 0.13093E-04 -0.17171E-05 2544 0.122E-02 2520 T= 6124. E= 0.68322277E+03 F= 0.63256144E+03 E0= 0.66253095E+03 EK= 0.50661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366603755915E+03 -0.66159E-01 -0.14819E-01 7656 0.226E+01 0.362E-01 RMM: 2 -0.366626232191E+03 -0.22476E-01 -0.79740E-02 5303 0.626E-01 0.161E+00 RMM: 3 -0.366608471843E+03 0.17760E-01 -0.10011E-02 5360 0.236E-01 0.284E-01 RMM: 4 -0.366608705131E+03 -0.23329E-03 -0.22104E-03 4965 0.108E-01 0.354E-01 RMM: 5 -0.366608174638E+03 0.53049E-03 -0.52950E-04 4523 0.601E-02 0.224E-01 RMM: 6 -0.366607849527E+03 0.32511E-03 -0.16709E-04 3874 0.346E-02 0.438E-02 RMM: 7 -0.366607877434E+03 -0.27907E-04 -0.53104E-05 3296 0.202E-02 0.834E-02 RMM: 8 -0.366607832122E+03 0.45311E-04 -0.28394E-05 2820 0.175E-02 0.242E-02 RMM: 9 -0.366607829948E+03 0.21746E-05 -0.71173E-06 2445 0.771E-03 2521 T= 5792. E= 0.68011954E+03 F= 0.63220385E+03 E0= 0.66218429E+03 EK= 0.47916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366827686074E+03 -0.21985E+00 -0.13910E-01 7632 0.222E+01 0.344E-01 RMM: 2 -0.366842247186E+03 -0.14561E-01 -0.69314E-02 5213 0.600E-01 0.125E+00 RMM: 3 -0.366831674955E+03 0.10572E-01 -0.78304E-03 5349 0.202E-01 0.246E-01 RMM: 4 -0.366832249883E+03 -0.57493E-03 -0.18803E-03 4816 0.103E-01 0.396E-01 RMM: 5 -0.366831360967E+03 0.88892E-03 -0.67792E-04 4604 0.691E-02 0.180E-01 RMM: 6 -0.366831171445E+03 0.18952E-03 -0.15437E-04 3876 0.320E-02 0.683E-02 RMM: 7 -0.366831220099E+03 -0.48655E-04 -0.91030E-05 3696 0.266E-02 0.116E-01 RMM: 8 -0.366831133438E+03 0.86661E-04 -0.42424E-05 3192 0.203E-02 0.348E-02 RMM: 9 -0.366831129312E+03 0.41263E-05 -0.11086E-05 2477 0.956E-03 2522 T= 5689. E= 0.67874483E+03 F= 0.63168214E+03 E0= 0.66167403E+03 EK= 0.47063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367236301138E+03 -0.40517E+00 -0.13875E-01 7740 0.223E+01 0.297E-01 RMM: 2 -0.367246072450E+03 -0.97713E-02 -0.58584E-02 5143 0.571E-01 0.974E-01 RMM: 3 -0.367239792077E+03 0.62804E-02 -0.62679E-03 5370 0.175E-01 0.187E-01 RMM: 4 -0.367240499050E+03 -0.70697E-03 -0.13333E-03 4648 0.881E-02 0.393E-01 RMM: 5 -0.367239591437E+03 0.90761E-03 -0.56161E-04 4581 0.634E-02 0.145E-01 RMM: 6 -0.367239482911E+03 0.10853E-03 -0.15936E-04 3884 0.326E-02 0.764E-02 RMM: 7 -0.367239513537E+03 -0.30626E-04 -0.68266E-05 3568 0.248E-02 0.109E-01 RMM: 8 -0.367239435644E+03 0.77893E-04 -0.31125E-05 3000 0.175E-02 0.247E-02 RMM: 9 -0.367239436595E+03 -0.95074E-06 -0.97068E-06 2462 0.890E-03 2523 T= 5837. E= 0.67925481E+03 F= 0.63096957E+03 E0= 0.66097420E+03 EK= 0.48285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367816445735E+03 -0.57701E+00 -0.14900E-01 7896 0.229E+01 0.264E-01 RMM: 2 -0.367826097106E+03 -0.96514E-02 -0.62649E-02 5105 0.595E-01 0.896E-01 RMM: 3 -0.367820796975E+03 0.53001E-02 -0.64838E-03 5387 0.173E-01 0.199E-01 RMM: 4 -0.367821005325E+03 -0.20835E-03 -0.11646E-03 4653 0.840E-02 0.290E-01 RMM: 5 -0.367820545435E+03 0.45989E-03 -0.66268E-04 4606 0.720E-02 0.151E-01 RMM: 6 -0.367820461001E+03 0.84434E-04 -0.16387E-04 3874 0.328E-02 0.105E-01 RMM: 7 -0.367820427579E+03 0.33423E-04 -0.10866E-04 3836 0.322E-02 0.873E-02 RMM: 8 -0.367820379956E+03 0.47623E-04 -0.29162E-05 2964 0.170E-02 0.279E-02 RMM: 9 -0.367820380666E+03 -0.71084E-06 -0.98159E-06 2464 0.926E-03 2524 T= 6199. E= 0.68136773E+03 F= 0.63008398E+03 E0= 0.66010215E+03 EK= 0.51284E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368507673682E+03 -0.68729E+00 -0.16033E-01 8124 0.237E+01 0.245E-01 RMM: 2 -0.368516748415E+03 -0.90747E-02 -0.69191E-02 5155 0.640E-01 0.795E-01 RMM: 3 -0.368512780779E+03 0.39676E-02 -0.65930E-03 5471 0.165E-01 0.186E-01 RMM: 4 -0.368512838691E+03 -0.57912E-04 -0.85509E-04 4613 0.739E-02 0.253E-01 RMM: 5 -0.368512449971E+03 0.38872E-03 -0.67390E-04 4609 0.736E-02 0.119E-01 RMM: 6 -0.368512550489E+03 -0.10052E-03 -0.25141E-04 3886 0.407E-02 0.174E-01 RMM: 7 -0.368512386260E+03 0.16423E-03 -0.12345E-04 3860 0.355E-02 0.837E-02 RMM: 8 -0.368512342654E+03 0.43606E-04 -0.23645E-05 2743 0.146E-02 0.309E-02 RMM: 9 -0.368512341833E+03 0.82103E-06 -0.16559E-05 2480 0.120E-02 2525 T= 6672. E= 0.68428338E+03 F= 0.62909055E+03 E0= 0.65912315E+03 EK= 0.55193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369204251293E+03 -0.69191E+00 -0.17250E-01 8352 0.246E+01 0.226E-01 RMM: 2 -0.369213661871E+03 -0.94106E-02 -0.76097E-02 5222 0.673E-01 0.746E-01 RMM: 3 -0.369210176623E+03 0.34852E-02 -0.68009E-03 5529 0.162E-01 0.188E-01 RMM: 4 -0.369210038866E+03 0.13776E-03 -0.71580E-04 4608 0.693E-02 0.200E-01 RMM: 5 -0.369209786719E+03 0.25215E-03 -0.61843E-04 4610 0.713E-02 0.120E-01 RMM: 6 -0.369209974000E+03 -0.18728E-03 -0.27766E-04 3899 0.422E-02 0.211E-01 RMM: 7 -0.369209726031E+03 0.24797E-03 -0.14111E-04 3876 0.361E-02 0.855E-02 RMM: 8 -0.369209681598E+03 0.44433E-04 -0.26836E-05 2858 0.152E-02 0.343E-02 RMM: 9 -0.369209679915E+03 0.16828E-05 -0.19648E-05 2491 0.130E-02 2526 T= 7080. E= 0.68666459E+03 F= 0.62809514E+03 E0= 0.65814158E+03 EK= 0.58569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369777605799E+03 -0.56792E+00 -0.18162E-01 8028 0.251E+01 0.230E-01 RMM: 2 -0.369786603300E+03 -0.89975E-02 -0.81026E-02 5150 0.686E-01 0.650E-01 RMM: 3 -0.369783934652E+03 0.26686E-02 -0.73919E-03 5624 0.164E-01 0.182E-01 RMM: 4 -0.369783888082E+03 0.46570E-04 -0.79371E-04 4629 0.747E-02 0.236E-01 RMM: 5 -0.369783541885E+03 0.34620E-03 -0.63724E-04 4595 0.714E-02 0.117E-01 RMM: 6 -0.369783721130E+03 -0.17925E-03 -0.30985E-04 3915 0.452E-02 0.204E-01 RMM: 7 -0.369783484615E+03 0.23652E-03 -0.14172E-04 3876 0.371E-02 0.838E-02 RMM: 8 -0.369783441590E+03 0.43025E-04 -0.24712E-05 2732 0.146E-02 0.352E-02 RMM: 9 -0.369783440740E+03 0.84956E-06 -0.19582E-05 2493 0.129E-02 2527 T= 7237. E= 0.68709486E+03 F= 0.62722330E+03 E0= 0.65728202E+03 EK= 0.59872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370119210816E+03 -0.33577E+00 -0.17900E-01 7764 0.251E+01 0.244E-01 RMM: 2 -0.370127716080E+03 -0.85053E-02 -0.75067E-02 5128 0.650E-01 0.663E-01 RMM: 3 -0.370124796244E+03 0.29198E-02 -0.69257E-03 5585 0.164E-01 0.178E-01 RMM: 4 -0.370124978384E+03 -0.18214E-03 -0.10348E-03 4676 0.853E-02 0.295E-01 RMM: 5 -0.370124462878E+03 0.51551E-03 -0.62104E-04 4582 0.686E-02 0.122E-01 RMM: 6 -0.370124569825E+03 -0.10695E-03 -0.23545E-04 3887 0.394E-02 0.181E-01 RMM: 7 -0.370124384950E+03 0.18488E-03 -0.13036E-04 3862 0.356E-02 0.768E-02 RMM: 8 -0.370124349249E+03 0.35701E-04 -0.23115E-05 2748 0.147E-02 0.319E-02 RMM: 9 -0.370124346712E+03 0.25366E-05 -0.19396E-05 2483 0.131E-02 2528 T= 7060. E= 0.68498385E+03 F= 0.62657855E+03 E0= 0.65664593E+03 EK= 0.58405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370176103806E+03 -0.51755E-01 -0.17312E-01 7464 0.245E+01 0.277E-01 RMM: 2 -0.370183017420E+03 -0.69136E-02 -0.73166E-02 5014 0.627E-01 0.521E-01 RMM: 3 -0.370181221289E+03 0.17961E-02 -0.69118E-03 5517 0.169E-01 0.230E-01 RMM: 4 -0.370181714763E+03 -0.49347E-03 -0.12676E-03 4766 0.922E-02 0.387E-01 RMM: 5 -0.370180767385E+03 0.94738E-03 -0.63485E-04 4596 0.673E-02 0.109E-01 RMM: 6 -0.370180810886E+03 -0.43501E-04 -0.19583E-04 3883 0.359E-02 0.142E-01 RMM: 7 -0.370180712336E+03 0.98550E-04 -0.92311E-05 3809 0.304E-02 0.826E-02 RMM: 8 -0.370180669289E+03 0.43046E-04 -0.20647E-05 2626 0.140E-02 0.279E-02 RMM: 9 -0.370180671614E+03 -0.23250E-05 -0.15950E-05 2478 0.115E-02 2529 T= 6631. E= 0.68106157E+03 F= 0.62620645E+03 E0= 0.65627736E+03 EK= 0.54855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369961089715E+03 0.21958E+00 -0.16510E-01 7548 0.237E+01 0.322E-01 RMM: 2 -0.369969049704E+03 -0.79600E-02 -0.75719E-02 5010 0.632E-01 0.691E-01 RMM: 3 -0.369965911406E+03 0.31383E-02 -0.73142E-03 5463 0.177E-01 0.253E-01 RMM: 4 -0.369966630553E+03 -0.71915E-03 -0.15367E-03 4871 0.986E-02 0.436E-01 RMM: 5 -0.369965414741E+03 0.12158E-02 -0.71297E-04 4594 0.712E-02 0.116E-01 RMM: 6 -0.369965389369E+03 0.25372E-04 -0.15238E-04 3878 0.313E-02 0.105E-01 RMM: 7 -0.369965358673E+03 0.30696E-04 -0.65555E-05 3526 0.243E-02 0.915E-02 RMM: 8 -0.369965304409E+03 0.54263E-04 -0.25406E-05 2827 0.157E-02 0.245E-02 RMM: 9 -0.369965312173E+03 -0.77643E-05 -0.13353E-05 2492 0.999E-03 2530 T= 6134. E= 0.67683779E+03 F= 0.62608985E+03 E0= 0.65615876E+03 EK= 0.50748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369527466669E+03 0.43784E+00 -0.15438E-01 7680 0.229E+01 0.354E-01 RMM: 2 -0.369534328506E+03 -0.68618E-02 -0.73637E-02 5046 0.624E-01 0.635E-01 RMM: 3 -0.369531930016E+03 0.23985E-02 -0.72616E-03 5424 0.181E-01 0.315E-01 RMM: 4 -0.369532577173E+03 -0.64716E-03 -0.15585E-03 4810 0.975E-02 0.465E-01 RMM: 5 -0.369531169148E+03 0.14080E-02 -0.76631E-04 4597 0.729E-02 0.113E-01 RMM: 6 -0.369531152614E+03 0.16534E-04 -0.17166E-04 3885 0.332E-02 2531 T= 5743. E= 0.67368607E+03 F= 0.62617534E+03 E0= 0.65623892E+03 EK= 0.47511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368938121362E+03 0.59305E+00 -0.14588E-01 7560 0.223E+01 0.454E-01 RMM: 2 -0.368962393680E+03 -0.24272E-01 -0.74104E-02 5207 0.637E-01 0.179E+00 RMM: 3 -0.368941255410E+03 0.21138E-01 -0.12059E-02 5340 0.266E-01 0.320E-01 RMM: 4 -0.368942168265E+03 -0.91285E-03 -0.27515E-03 5237 0.123E-01 0.499E-01 RMM: 5 -0.368940837074E+03 0.13312E-02 -0.90756E-04 4608 0.789E-02 0.264E-01 RMM: 6 -0.368940420229E+03 0.41684E-03 -0.33029E-04 3948 0.476E-02 0.973E-02 RMM: 7 -0.368940516290E+03 -0.96061E-04 -0.16381E-04 3890 0.344E-02 0.161E-01 RMM: 8 -0.368940344291E+03 0.17200E-03 -0.83846E-05 3601 0.271E-02 0.419E-02 RMM: 9 -0.368940345212E+03 -0.92154E-06 -0.23835E-05 2730 0.140E-02 2532 T= 5562. E= 0.67241442E+03 F= 0.62640468E+03 E0= 0.65645631E+03 EK= 0.46010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368242229889E+03 0.69811E+00 -0.14591E-01 7524 0.222E+01 0.413E-01 RMM: 2 -0.368271156415E+03 -0.28927E-01 -0.69006E-02 5203 0.605E-01 0.197E+00 RMM: 3 -0.368245219712E+03 0.25937E-01 -0.11575E-02 5344 0.262E-01 0.276E-01 RMM: 4 -0.368245832578E+03 -0.61287E-03 -0.25958E-03 5165 0.118E-01 0.431E-01 RMM: 5 -0.368245008159E+03 0.82442E-03 -0.77097E-04 4604 0.750E-02 0.266E-01 RMM: 6 -0.368244541923E+03 0.46624E-03 -0.27817E-04 3905 0.443E-02 0.497E-02 RMM: 7 -0.368244600319E+03 -0.58396E-04 -0.75929E-05 3517 0.241E-02 0.113E-01 RMM: 8 -0.368244518178E+03 0.82141E-04 -0.34469E-05 3046 0.187E-02 0.241E-02 RMM: 9 -0.368244518212E+03 -0.33893E-07 -0.82625E-06 2464 0.791E-03 2533 T= 5632. E= 0.67332229E+03 F= 0.62673351E+03 E0= 0.65677123E+03 EK= 0.46589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367468345032E+03 0.77617E+00 -0.15659E-01 7968 0.225E+01 0.367E-01 RMM: 2 -0.367482784046E+03 -0.14439E-01 -0.70702E-02 5238 0.605E-01 0.127E+00 RMM: 3 -0.367472242423E+03 0.10542E-01 -0.84697E-03 5416 0.208E-01 0.290E-01 RMM: 4 -0.367472730999E+03 -0.48858E-03 -0.20347E-03 4801 0.108E-01 0.412E-01 RMM: 5 -0.367471758337E+03 0.97266E-03 -0.79621E-04 4602 0.759E-02 0.192E-01 RMM: 6 -0.367471561572E+03 0.19677E-03 -0.20968E-04 3908 0.373E-02 0.969E-02 RMM: 7 -0.367471573320E+03 -0.11748E-04 -0.11751E-04 3880 0.310E-02 2534 T= 5945. E= 0.67632277E+03 F= 0.62714231E+03 E0= 0.65716513E+03 EK= 0.49180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366619896055E+03 0.85167E+00 -0.16922E-01 8640 0.232E+01 0.344E-01 RMM: 2 -0.366631968922E+03 -0.12073E-01 -0.77543E-02 5256 0.630E-01 0.104E+00 RMM: 3 -0.366624671761E+03 0.72972E-02 -0.75878E-03 5429 0.188E-01 0.259E-01 RMM: 4 -0.366625129422E+03 -0.45766E-03 -0.17224E-03 4712 0.101E-01 0.400E-01 RMM: 5 -0.366624243679E+03 0.88574E-03 -0.93019E-04 4608 0.826E-02 0.192E-01 RMM: 6 -0.366624101836E+03 0.14184E-03 -0.30898E-04 3900 0.451E-02 0.130E-01 RMM: 7 -0.366624098812E+03 0.30242E-05 -0.14137E-04 3863 0.364E-02 2535 T= 6435. E= 0.68087062E+03 F= 0.62763504E+03 E0= 0.65763963E+03 EK= 0.53236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365679854385E+03 0.94425E+00 -0.18689E-01 8352 0.240E+01 0.313E-01 RMM: 2 -0.365692998263E+03 -0.13144E-01 -0.96764E-02 5201 0.712E-01 0.965E-01 RMM: 3 -0.365686600769E+03 0.63975E-02 -0.97342E-03 5561 0.205E-01 0.237E-01 RMM: 4 -0.365686644267E+03 -0.43498E-04 -0.13180E-03 4679 0.868E-02 0.300E-01 RMM: 5 -0.365686223829E+03 0.42044E-03 -0.80828E-04 4606 0.784E-02 0.203E-01 RMM: 6 -0.365686046415E+03 0.17741E-03 -0.33750E-04 3956 0.475E-02 0.125E-01 RMM: 7 -0.365686062421E+03 -0.16006E-04 -0.15970E-04 3875 0.378E-02 2536 T= 6957. E= 0.68578099E+03 F= 0.62823015E+03 E0= 0.65821713E+03 EK= 0.57551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364631764386E+03 0.10543E+01 -0.19521E-01 8688 0.247E+01 0.316E-01 RMM: 2 -0.364648585962E+03 -0.16822E-01 -0.98475E-02 5304 0.712E-01 0.122E+00 RMM: 3 -0.364638713294E+03 0.98727E-02 -0.93097E-03 5474 0.210E-01 0.284E-01 RMM: 4 -0.364638457409E+03 0.25588E-03 -0.14438E-03 4675 0.892E-02 0.254E-01 RMM: 5 -0.364638212839E+03 0.24457E-03 -0.91225E-04 4611 0.843E-02 0.212E-01 RMM: 6 -0.364638018135E+03 0.19470E-03 -0.38176E-04 4079 0.505E-02 0.128E-01 RMM: 7 -0.364638047683E+03 -0.29548E-04 -0.16834E-04 3894 0.382E-02 0.147E-01 RMM: 8 -0.364637908535E+03 0.13915E-03 -0.59027E-05 3401 0.231E-02 0.452E-02 RMM: 9 -0.364637900620E+03 0.79151E-05 -0.15792E-05 2519 0.114E-02 2537 T= 7303. E= 0.68935791E+03 F= 0.62894490E+03 E0= 0.65891259E+03 EK= 0.60413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363473422789E+03 0.11645E+01 -0.19711E-01 8664 0.249E+01 0.290E-01 RMM: 2 -0.363489851988E+03 -0.16429E-01 -0.10236E-01 5273 0.698E-01 0.113E+00 RMM: 3 -0.363480740510E+03 0.91115E-02 -0.90557E-03 5451 0.206E-01 0.207E-01 RMM: 4 -0.363480992719E+03 -0.25221E-03 -0.12943E-03 4685 0.840E-02 0.312E-01 RMM: 5 -0.363480411001E+03 0.58172E-03 -0.60180E-04 4582 0.670E-02 0.140E-01 RMM: 6 -0.363480379134E+03 0.31868E-04 -0.24650E-04 3907 0.403E-02 0.127E-01 RMM: 7 -0.363480362847E+03 0.16287E-04 -0.10374E-04 3790 0.302E-02 2538 T= 7307. E= 0.69021721E+03 F= 0.62977244E+03 E0= 0.65972018E+03 EK= 0.60445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362239714406E+03 0.12407E+01 -0.19836E-01 8412 0.246E+01 0.367E-01 RMM: 2 -0.362253384572E+03 -0.13670E-01 -0.10441E-01 5235 0.720E-01 0.993E-01 RMM: 3 -0.362246478113E+03 0.69065E-02 -0.92562E-03 5562 0.204E-01 0.279E-01 RMM: 4 -0.362247168739E+03 -0.69063E-03 -0.21411E-03 4987 0.115E-01 0.458E-01 RMM: 5 -0.362245937522E+03 0.12312E-02 -0.11036E-03 4603 0.897E-02 0.196E-01 RMM: 6 -0.362245786540E+03 0.15098E-03 -0.30675E-04 3926 0.450E-02 0.132E-01 RMM: 7 -0.362245783724E+03 0.28165E-05 -0.16490E-04 3884 0.378E-02 2539 T= 6966. E= 0.68830109E+03 F= 0.63067284E+03 E0= 0.66060002E+03 EK= 0.57628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360990511134E+03 0.12553E+01 -0.19057E-01 8388 0.238E+01 0.370E-01 RMM: 2 -0.361003572401E+03 -0.13061E-01 -0.10203E-01 5130 0.716E-01 0.966E-01 RMM: 3 -0.360997086568E+03 0.64858E-02 -0.99380E-03 5465 0.219E-01 0.270E-01 RMM: 4 -0.360998105383E+03 -0.10188E-02 -0.19762E-03 5038 0.108E-01 0.493E-01 RMM: 5 -0.360996649558E+03 0.14558E-02 -0.78901E-04 4583 0.739E-02 0.183E-01 RMM: 6 -0.360996467438E+03 0.18212E-03 -0.26000E-04 3930 0.414E-02 0.905E-02 RMM: 7 -0.360996515470E+03 -0.48033E-04 -0.93636E-05 3772 0.274E-02 0.131E-01 RMM: 8 -0.360996405235E+03 0.11024E-03 -0.42218E-05 3168 0.198E-02 0.400E-02 RMM: 9 -0.360996403488E+03 0.17464E-05 -0.19839E-05 2555 0.126E-02 2540 T= 6447. E= 0.68490987E+03 F= 0.63157739E+03 E0= 0.66148139E+03 EK= 0.53332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359797126736E+03 0.11993E+01 -0.17614E-01 8328 0.230E+01 0.357E-01 RMM: 2 -0.359809943110E+03 -0.12816E-01 -0.94167E-02 5150 0.689E-01 0.992E-01 RMM: 3 -0.359803062529E+03 0.68806E-02 -0.90415E-03 5448 0.209E-01 0.276E-01 RMM: 4 -0.359804068738E+03 -0.10062E-02 -0.21079E-03 5009 0.111E-01 0.489E-01 RMM: 5 -0.359802586633E+03 0.14821E-02 -0.85767E-04 4605 0.785E-02 0.149E-01 RMM: 6 -0.359802455927E+03 0.13071E-03 -0.16258E-04 3881 0.323E-02 0.671E-02 RMM: 7 -0.359802485564E+03 -0.29637E-04 -0.58670E-05 3370 0.212E-02 0.994E-02 RMM: 8 -0.359802422197E+03 0.63367E-04 -0.33324E-05 2975 0.185E-02 0.265E-02 RMM: 9 -0.359802422633E+03 -0.43628E-06 -0.95398E-06 2462 0.887E-03 2541 T= 5960. E= 0.68172011E+03 F= 0.63241291E+03 E0= 0.66229111E+03 EK= 0.49307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358714711501E+03 0.10877E+01 -0.16242E-01 8148 0.224E+01 0.407E-01 RMM: 2 -0.358725488880E+03 -0.10777E-01 -0.84411E-02 5202 0.659E-01 0.963E-01 RMM: 3 -0.358719380048E+03 0.61088E-02 -0.87465E-03 5426 0.207E-01 0.327E-01 RMM: 4 -0.358720452276E+03 -0.10722E-02 -0.24882E-03 5137 0.123E-01 0.529E-01 RMM: 5 -0.358718715344E+03 0.17369E-02 -0.10114E-03 4608 0.845E-02 0.178E-01 RMM: 6 -0.358718539853E+03 0.17549E-03 -0.20656E-04 3921 0.369E-02 0.929E-02 RMM: 7 -0.358718574266E+03 -0.34413E-04 -0.97209E-05 3744 0.266E-02 0.128E-01 RMM: 8 -0.358718468627E+03 0.10564E-03 -0.54115E-05 3340 0.219E-02 0.370E-02 RMM: 9 -0.358718471691E+03 -0.30636E-05 -0.20237E-05 2568 0.129E-02 2542 T= 5658. E= 0.67993672E+03 F= 0.63312644E+03 E0= 0.66297625E+03 EK= 0.46810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357768143728E+03 0.95032E+00 -0.15701E-01 8028 0.222E+01 0.380E-01 RMM: 2 -0.357781283744E+03 -0.13140E-01 -0.77899E-02 5188 0.632E-01 0.115E+00 RMM: 3 -0.357772380696E+03 0.89030E-02 -0.83148E-03 5437 0.201E-01 0.266E-01 RMM: 4 -0.357773579344E+03 -0.11986E-02 -0.22947E-03 5022 0.117E-01 0.518E-01 RMM: 5 -0.357771959269E+03 0.16201E-02 -0.92316E-04 4604 0.806E-02 0.174E-01 RMM: 6 -0.357771788784E+03 0.17048E-03 -0.19670E-04 3889 0.356E-02 0.811E-02 RMM: 7 -0.357771823097E+03 -0.34313E-04 -0.77677E-05 3583 0.243E-02 0.117E-01 RMM: 8 -0.357771734413E+03 0.88685E-04 -0.41001E-05 3168 0.198E-02 0.308E-02 RMM: 9 -0.357771737085E+03 -0.26719E-05 -0.14769E-05 2500 0.109E-02 2543 T= 5613. E= 0.68013475E+03 F= 0.63369675E+03 E0= 0.66351447E+03 EK= 0.46438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356958878270E+03 0.81286E+00 -0.15723E-01 8124 0.226E+01 0.352E-01 RMM: 2 -0.356969664814E+03 -0.10787E-01 -0.69414E-02 5236 0.598E-01 0.100E+00 RMM: 3 -0.356962735372E+03 0.69294E-02 -0.71372E-03 5394 0.189E-01 0.260E-01 RMM: 4 -0.356963485383E+03 -0.75001E-03 -0.20496E-03 4947 0.112E-01 0.433E-01 RMM: 5 -0.356962351958E+03 0.11334E-02 -0.76305E-04 4608 0.730E-02 0.180E-01 RMM: 6 -0.356962179436E+03 0.17252E-03 -0.20604E-04 3902 0.370E-02 0.926E-02 RMM: 7 -0.356962208871E+03 -0.29435E-04 -0.94306E-05 3727 0.274E-02 0.122E-01 RMM: 8 -0.356962112830E+03 0.96041E-04 -0.47029E-05 3268 0.208E-02 0.327E-02 RMM: 9 -0.356962112667E+03 0.16380E-06 -0.13057E-05 2498 0.103E-02 2544 T= 5836. E= 0.68241093E+03 F= 0.63413198E+03 E0= 0.66391448E+03 EK= 0.48279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356258205361E+03 0.70391E+00 -0.16426E-01 8400 0.234E+01 0.325E-01 RMM: 2 -0.356270855923E+03 -0.12651E-01 -0.71911E-02 5248 0.618E-01 0.111E+00 RMM: 3 -0.356262641582E+03 0.82143E-02 -0.72305E-03 5400 0.187E-01 0.233E-01 RMM: 4 -0.356263199197E+03 -0.55761E-03 -0.16924E-03 4718 0.101E-01 0.394E-01 RMM: 5 -0.356262301554E+03 0.89764E-03 -0.79772E-04 4603 0.765E-02 0.171E-01 RMM: 6 -0.356262169144E+03 0.13241E-03 -0.21591E-04 3888 0.373E-02 0.103E-01 RMM: 7 -0.356262167538E+03 0.16067E-05 -0.10233E-04 3831 0.301E-02 2545 T= 6279. E= 0.68641354E+03 F= 0.63446672E+03 E0= 0.66421104E+03 EK= 0.51947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355619759188E+03 0.64241E+00 -0.17171E-01 8676 0.244E+01 0.325E-01 RMM: 2 -0.355629710280E+03 -0.99511E-02 -0.74261E-02 5341 0.636E-01 0.883E-01 RMM: 3 -0.355624494559E+03 0.52157E-02 -0.66736E-03 5430 0.178E-01 0.253E-01 RMM: 4 -0.355624856975E+03 -0.36242E-03 -0.15517E-03 4663 0.993E-02 0.371E-01 RMM: 5 -0.355623998634E+03 0.85834E-03 -0.89243E-04 4608 0.814E-02 0.149E-01 RMM: 6 -0.355624046315E+03 -0.47681E-04 -0.27258E-04 3901 0.421E-02 0.178E-01 RMM: 7 -0.355623888179E+03 0.15814E-03 -0.16447E-04 3859 0.401E-02 0.104E-01 RMM: 8 -0.355623821480E+03 0.66699E-04 -0.46570E-05 3240 0.204E-02 0.387E-02 RMM: 9 -0.355623832468E+03 -0.10988E-04 -0.21644E-05 2574 0.133E-02 2546 T= 6820. E= 0.69117405E+03 F= 0.63475264E+03 E0= 0.66445712E+03 EK= 0.56421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354992490279E+03 0.63133E+00 -0.18290E-01 8484 0.253E+01 0.259E-01 RMM: 2 -0.355005157674E+03 -0.12667E-01 -0.88908E-02 5255 0.700E-01 0.957E-01 RMM: 3 -0.354999074634E+03 0.60830E-02 -0.80340E-03 5650 0.182E-01 0.206E-01 RMM: 4 -0.354999003107E+03 0.71527E-04 -0.10476E-03 4639 0.804E-02 0.238E-01 RMM: 5 -0.354998694561E+03 0.30855E-03 -0.62279E-04 4598 0.702E-02 0.147E-01 RMM: 6 -0.354998658776E+03 0.35785E-04 -0.24464E-04 3903 0.405E-02 0.129E-01 RMM: 7 -0.354998623375E+03 0.35401E-04 -0.91935E-05 3734 0.291E-02 0.109E-01 RMM: 8 -0.354998544949E+03 0.78426E-04 -0.29803E-05 2959 0.168E-02 0.257E-02 RMM: 9 -0.354998542863E+03 0.20864E-05 -0.76475E-06 2455 0.780E-03 2547 T= 7257. E= 0.69507178E+03 F= 0.63503704E+03 E0= 0.66470164E+03 EK= 0.60035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354366845545E+03 0.63170E+00 -0.19079E-01 8340 0.257E+01 0.329E-01 RMM: 2 -0.354377979680E+03 -0.11134E-01 -0.90889E-02 5352 0.693E-01 0.873E-01 RMM: 3 -0.354372688732E+03 0.52909E-02 -0.74625E-03 5579 0.180E-01 0.233E-01 RMM: 4 -0.354373172928E+03 -0.48420E-03 -0.15775E-03 4667 0.100E-01 0.394E-01 RMM: 5 -0.354372244605E+03 0.92832E-03 -0.86640E-04 4608 0.803E-02 0.168E-01 RMM: 6 -0.354372197695E+03 0.46910E-04 -0.32420E-04 3926 0.458E-02 0.152E-01 RMM: 7 -0.354372147738E+03 0.49958E-04 -0.14181E-04 3868 0.363E-02 0.134E-01 RMM: 8 -0.354372029836E+03 0.11790E-03 -0.57085E-05 3388 0.222E-02 0.366E-02 RMM: 9 -0.354372033202E+03 -0.33660E-05 -0.18978E-05 2538 0.125E-02 2548 T= 7389. E= 0.69645245E+03 F= 0.63532858E+03 E0= 0.66495837E+03 EK= 0.61124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353789448057E+03 0.58258E+00 -0.19014E-01 7728 0.255E+01 0.337E-01 RMM: 2 -0.353805476220E+03 -0.16028E-01 -0.10004E-01 5221 0.723E-01 0.115E+00 RMM: 3 -0.353796017326E+03 0.94589E-02 -0.95814E-03 5501 0.207E-01 0.213E-01 RMM: 4 -0.353796688423E+03 -0.67110E-03 -0.17672E-03 4840 0.104E-01 0.407E-01 RMM: 5 -0.353795661111E+03 0.10273E-02 -0.73315E-04 4603 0.725E-02 0.143E-01 RMM: 6 -0.353795608743E+03 0.52368E-04 -0.21500E-04 3884 0.369E-02 0.119E-01 RMM: 7 -0.353795595622E+03 0.13121E-04 -0.99596E-05 3827 0.290E-02 2549 T= 7154. E= 0.69474700E+03 F= 0.63556798E+03 E0= 0.66517058E+03 EK= 0.59179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353381693523E+03 0.41392E+00 -0.17684E-01 7728 0.247E+01 0.424E-01 RMM: 2 -0.353393056039E+03 -0.11363E-01 -0.98312E-02 5292 0.725E-01 0.937E-01 RMM: 3 -0.353387475067E+03 0.55810E-02 -0.98146E-03 5504 0.210E-01 0.336E-01 RMM: 4 -0.353388719457E+03 -0.12444E-02 -0.23415E-03 5027 0.117E-01 0.569E-01 RMM: 5 -0.353386594059E+03 0.21254E-02 -0.11076E-03 4616 0.882E-02 0.142E-01 RMM: 6 -0.353386577816E+03 0.16243E-04 -0.26268E-04 3901 0.414E-02 0.144E-01 RMM: 7 -0.353386536984E+03 0.40832E-04 -0.11255E-04 3876 0.299E-02 0.129E-01 RMM: 8 -0.353386425257E+03 0.11173E-03 -0.63620E-05 3430 0.226E-02 0.374E-02 RMM: 9 -0.353386437007E+03 -0.11750E-04 -0.25102E-05 2723 0.142E-02 2550 T= 6682. E= 0.69090867E+03 F= 0.63563026E+03 E0= 0.66521586E+03 EK= 0.55278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353283358131E+03 0.10307E+00 -0.16213E-01 7776 0.237E+01 0.419E-01 RMM: 2 -0.353301683273E+03 -0.18325E-01 -0.96144E-02 5218 0.735E-01 0.137E+00 RMM: 3 -0.353288780239E+03 0.12903E-01 -0.11669E-02 5412 0.237E-01 0.265E-01 RMM: 4 -0.353290133387E+03 -0.13531E-02 -0.25303E-03 5134 0.120E-01 0.527E-01 RMM: 5 -0.353288353872E+03 0.17795E-02 -0.84922E-04 4607 0.769E-02 0.163E-01 RMM: 6 -0.353288194232E+03 0.15964E-03 -0.18995E-04 3894 0.352E-02 0.710E-02 RMM: 7 -0.353288233707E+03 -0.39475E-04 -0.74733E-05 3531 0.235E-02 0.109E-01 RMM: 8 -0.353288155036E+03 0.78671E-04 -0.39211E-05 3087 0.196E-02 0.300E-02 RMM: 9 -0.353288156092E+03 -0.10557E-05 -0.13092E-05 2501 0.103E-02 2551 T= 6194. E= 0.68660677E+03 F= 0.63536675E+03 E0= 0.66494682E+03 EK= 0.51240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353608640539E+03 -0.32049E+00 -0.14650E-01 7968 0.228E+01 0.427E-01 RMM: 2 -0.353618252055E+03 -0.96115E-02 -0.78136E-02 5338 0.651E-01 0.953E-01 RMM: 3 -0.353612651994E+03 0.56001E-02 -0.80501E-03 5455 0.192E-01 0.343E-01 RMM: 4 -0.353613967606E+03 -0.13156E-02 -0.23624E-03 4924 0.120E-01 0.576E-01 RMM: 5 -0.353611794406E+03 0.21732E-02 -0.10484E-03 4605 0.854E-02 0.141E-01 RMM: 6 -0.353611723396E+03 0.71010E-04 -0.21386E-04 3906 0.369E-02 0.110E-01 RMM: 7 -0.353611720049E+03 0.33474E-05 -0.80079E-05 3661 0.250E-02 2552 T= 5866. E= 0.68319260E+03 F= 0.63466561E+03 E0= 0.66425195E+03 EK= 0.48527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354385491767E+03 -0.77377E+00 -0.13966E-01 8040 0.223E+01 0.410E-01 RMM: 2 -0.354394515441E+03 -0.90237E-02 -0.71364E-02 5214 0.609E-01 0.908E-01 RMM: 3 -0.354389328746E+03 0.51867E-02 -0.79773E-03 5398 0.198E-01 0.357E-01 RMM: 4 -0.354390573564E+03 -0.12448E-02 -0.23307E-03 4969 0.118E-01 0.567E-01 RMM: 5 -0.354388460992E+03 0.21126E-02 -0.10435E-03 4605 0.858E-02 0.140E-01 RMM: 6 -0.354388419784E+03 0.41208E-04 -0.20214E-04 3884 0.358E-02 0.125E-01 RMM: 7 -0.354388374044E+03 0.45740E-04 -0.97449E-05 3812 0.273E-02 0.110E-01 RMM: 8 -0.354388296584E+03 0.77460E-04 -0.52682E-05 3317 0.211E-02 0.346E-02 RMM: 9 -0.354388311328E+03 -0.14744E-04 -0.22279E-05 2629 0.135E-02 2553 T= 5783. E= 0.68133898E+03 F= 0.63349906E+03 E0= 0.66310409E+03 EK= 0.47840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355550334266E+03 -0.11620E+01 -0.14267E-01 8016 0.224E+01 0.356E-01 RMM: 2 -0.355559185407E+03 -0.88511E-02 -0.70656E-02 5249 0.596E-01 0.871E-01 RMM: 3 -0.355554224613E+03 0.49608E-02 -0.71832E-03 5385 0.186E-01 0.279E-01 RMM: 4 -0.355555155407E+03 -0.93079E-03 -0.17324E-03 4688 0.101E-01 0.478E-01 RMM: 5 -0.355553714616E+03 0.14408E-02 -0.81141E-04 4595 0.760E-02 0.169E-01 RMM: 6 -0.355553576294E+03 0.13832E-03 -0.25528E-04 3903 0.413E-02 0.954E-02 RMM: 7 -0.355553574596E+03 0.16983E-05 -0.77794E-05 3573 0.266E-02 2554 T= 5949. E= 0.68115016E+03 F= 0.63193739E+03 E0= 0.66157222E+03 EK= 0.49213E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356950478504E+03 -0.13969E+01 -0.15407E-01 7896 0.229E+01 0.378E-01 RMM: 2 -0.356962238519E+03 -0.11760E-01 -0.85932E-02 5309 0.660E-01 0.984E-01 RMM: 3 -0.356955669320E+03 0.65692E-02 -0.84005E-03 5428 0.197E-01 0.299E-01 RMM: 4 -0.356956140610E+03 -0.47129E-03 -0.18542E-03 4696 0.105E-01 0.430E-01 RMM: 5 -0.356954935184E+03 0.12054E-02 -0.11076E-03 4604 0.904E-02 0.152E-01 RMM: 6 -0.356955014170E+03 -0.78986E-04 -0.38279E-04 3974 0.502E-02 0.194E-01 RMM: 7 -0.356954883562E+03 0.13061E-03 -0.16228E-04 3882 0.386E-02 0.139E-01 RMM: 8 -0.356954755787E+03 0.12778E-03 -0.65069E-05 3465 0.233E-02 0.416E-02 RMM: 9 -0.356954766007E+03 -0.10220E-04 -0.26070E-05 2716 0.146E-02 2555 T= 6301. E= 0.68226217E+03 F= 0.63013927E+03 E0= 0.65981498E+03 EK= 0.52123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358373918193E+03 -0.14192E+01 -0.17531E-01 8280 0.236E+01 0.308E-01 RMM: 2 -0.358389318328E+03 -0.15400E-01 -0.11058E-01 5344 0.738E-01 0.103E+00 RMM: 3 -0.358381983816E+03 0.73345E-02 -0.99801E-03 5493 0.208E-01 0.234E-01 RMM: 4 -0.358382125125E+03 -0.14131E-03 -0.13792E-03 4643 0.890E-02 0.321E-01 RMM: 5 -0.358381432108E+03 0.69302E-03 -0.76532E-04 4600 0.766E-02 0.134E-01 RMM: 6 -0.358381570558E+03 -0.13845E-03 -0.38374E-04 4029 0.495E-02 0.200E-01 RMM: 7 -0.358381391287E+03 0.17927E-03 -0.15770E-04 3887 0.372E-02 0.119E-01 RMM: 8 -0.358381300246E+03 0.91042E-04 -0.39702E-05 3133 0.185E-02 0.342E-02 RMM: 9 -0.358381298564E+03 0.16819E-05 -0.13362E-05 2483 0.105E-02 2556 T= 6710. E= 0.68382594E+03 F= 0.62831856E+03 E0= 0.65804234E+03 EK= 0.55507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359601573227E+03 -0.12203E+01 -0.19717E-01 8448 0.242E+01 0.371E-01 RMM: 2 -0.359624332490E+03 -0.22759E-01 -0.13805E-01 5429 0.820E-01 0.136E+00 RMM: 3 -0.359611329575E+03 0.13003E-01 -0.12335E-02 5512 0.234E-01 0.280E-01 RMM: 4 -0.359611218585E+03 0.11099E-03 -0.18168E-03 4659 0.102E-01 0.321E-01 RMM: 5 -0.359610621355E+03 0.59723E-03 -0.10717E-03 4608 0.910E-02 0.195E-01 RMM: 6 -0.359610699895E+03 -0.78540E-04 -0.47958E-04 4500 0.554E-02 0.226E-01 RMM: 7 -0.359610510773E+03 0.18912E-03 -0.22343E-04 3891 0.426E-02 0.156E-01 RMM: 8 -0.359610356146E+03 0.15463E-03 -0.75361E-05 3542 0.257E-02 0.441E-02 RMM: 9 -0.359610364276E+03 -0.81303E-05 -0.28839E-05 2717 0.152E-02 2557 T= 7004. E= 0.68464245E+03 F= 0.62669736E+03 E0= 0.65647517E+03 EK= 0.57945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360454672589E+03 -0.84432E+00 -0.22021E-01 8712 0.244E+01 0.347E-01 RMM: 2 -0.360477396164E+03 -0.22724E-01 -0.15913E-01 5364 0.869E-01 0.123E+00 RMM: 3 -0.360466589114E+03 0.10807E-01 -0.13651E-02 5558 0.242E-01 0.285E-01 RMM: 4 -0.360466409299E+03 0.17981E-03 -0.17155E-03 4705 0.978E-02 0.305E-01 RMM: 5 -0.360465820315E+03 0.58898E-03 -0.98732E-04 4608 0.873E-02 0.176E-01 RMM: 6 -0.360465941710E+03 -0.12139E-03 -0.51577E-04 4499 0.574E-02 0.225E-01 RMM: 7 -0.360465773326E+03 0.16838E-03 -0.22127E-04 3889 0.412E-02 0.166E-01 RMM: 8 -0.360465601004E+03 0.17232E-03 -0.79137E-05 3574 0.262E-02 0.450E-02 RMM: 9 -0.360465601501E+03 -0.49755E-06 -0.22749E-05 2580 0.136E-02 2558 T= 7044. E= 0.68371772E+03 F= 0.62544762E+03 E0= 0.65527880E+03 EK= 0.58270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360858778734E+03 -0.39318E+00 -0.22778E-01 8796 0.242E+01 0.380E-01 RMM: 2 -0.360880906313E+03 -0.22128E-01 -0.15099E-01 5464 0.822E-01 0.126E+00 RMM: 3 -0.360869063450E+03 0.11843E-01 -0.11395E-02 5498 0.225E-01 0.243E-01 RMM: 4 -0.360869765221E+03 -0.70177E-03 -0.22222E-03 4882 0.117E-01 0.457E-01 RMM: 5 -0.360868520828E+03 0.12444E-02 -0.10101E-03 4611 0.852E-02 0.181E-01 RMM: 6 -0.360868595765E+03 -0.74937E-04 -0.44074E-04 4291 0.526E-02 0.215E-01 RMM: 7 -0.360868384744E+03 0.21102E-03 -0.20006E-04 3885 0.416E-02 0.124E-01 RMM: 8 -0.360868287605E+03 0.97139E-04 -0.56159E-05 3340 0.223E-02 0.381E-02 RMM: 9 -0.360868300345E+03 -0.12740E-04 -0.24814E-05 2598 0.141E-02 2559 T= 6807. E= 0.68095126E+03 F= 0.62464172E+03 E0= 0.65452420E+03 EK= 0.56310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360838181464E+03 0.30106E-01 -0.22796E-01 8832 0.235E+01 0.377E-01 RMM: 2 -0.360855158806E+03 -0.16977E-01 -0.14785E-01 5429 0.791E-01 0.931E-01 RMM: 3 -0.360848023898E+03 0.71349E-02 -0.10083E-02 5426 0.218E-01 0.309E-01 RMM: 4 -0.360848902404E+03 -0.87851E-03 -0.24467E-03 5070 0.123E-01 0.504E-01 RMM: 5 -0.360847342948E+03 0.15595E-02 -0.11476E-03 4608 0.907E-02 0.179E-01 RMM: 6 -0.360847296025E+03 0.46923E-04 -0.39091E-04 4055 0.504E-02 0.163E-01 RMM: 7 -0.360847231217E+03 0.64808E-04 -0.14994E-04 3883 0.363E-02 0.138E-01 RMM: 8 -0.360847109869E+03 0.12135E-03 -0.52625E-05 3338 0.213E-02 0.372E-02 RMM: 9 -0.360847115980E+03 -0.61114E-05 -0.19114E-05 2551 0.124E-02 2560 T= 6405. E= 0.67723208E+03 F= 0.62424533E+03 E0= 0.65417238E+03 EK= 0.52987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360489733240E+03 0.35738E+00 -0.23235E-01 8904 0.227E+01 0.436E-01 RMM: 2 -0.360508533166E+03 -0.18800E-01 -0.14711E-01 5366 0.787E-01 0.112E+00 RMM: 3 -0.360498477943E+03 0.10055E-01 -0.10618E-02 5418 0.227E-01 0.285E-01 RMM: 4 -0.360500074931E+03 -0.15970E-02 -0.27893E-03 5155 0.130E-01 0.599E-01 RMM: 5 -0.360497889164E+03 0.21858E-02 -0.11195E-03 4609 0.893E-02 0.184E-01 RMM: 6 -0.360497770251E+03 0.11891E-03 -0.32627E-04 3989 0.460E-02 0.135E-01 RMM: 7 -0.360497760811E+03 0.94408E-05 -0.14116E-04 3882 0.339E-02 2561 T= 6003. E= 0.67382449E+03 F= 0.62416018E+03 E0= 0.65412525E+03 EK= 0.49664E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359920578486E+03 0.57719E+00 -0.22985E-01 8916 0.220E+01 0.469E-01 RMM: 2 -0.359934468521E+03 -0.13890E-01 -0.14524E-01 5516 0.770E-01 0.785E-01 RMM: 3 -0.359929594597E+03 0.48739E-02 -0.10440E-02 5373 0.233E-01 0.468E-01 RMM: 4 -0.359931040630E+03 -0.14460E-02 -0.30347E-03 5197 0.136E-01 0.679E-01 RMM: 5 -0.359928045641E+03 0.29950E-02 -0.15986E-03 4613 0.107E-01 0.128E-01 RMM: 6 -0.359928174729E+03 -0.12909E-03 -0.32338E-04 3938 0.451E-02 0.198E-01 RMM: 7 -0.359927983305E+03 0.19142E-03 -0.13293E-04 3881 0.337E-02 0.113E-01 RMM: 8 -0.359927906605E+03 0.76700E-04 -0.58973E-05 3397 0.217E-02 0.444E-02 RMM: 9 -0.359927932089E+03 -0.25484E-04 -0.29205E-05 2840 0.153E-02 0.810E-02 RMM: 10 -0.359927887895E+03 0.44194E-04 -0.20278E-05 2548 0.148E-02 0.247E-02 RMM: 11 -0.359927883844E+03 0.40506E-05 -0.46097E-06 2434 0.634E-03 2562 T= 5735. E= 0.67172800E+03 F= 0.62428073E+03 E0= 0.65427693E+03 EK= 0.47447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359208797383E+03 0.71909E+00 -0.23309E-01 8880 0.216E+01 0.404E-01 RMM: 2 -0.359223533209E+03 -0.14736E-01 -0.14660E-01 5360 0.778E-01 0.781E-01 RMM: 3 -0.359218373510E+03 0.51597E-02 -0.10521E-02 5412 0.226E-01 0.356E-01 RMM: 4 -0.359219441773E+03 -0.10683E-02 -0.24406E-03 5159 0.120E-01 0.560E-01 RMM: 5 -0.359217528302E+03 0.19135E-02 -0.11278E-03 4612 0.905E-02 0.181E-01 RMM: 6 -0.359217357959E+03 0.17034E-03 -0.26558E-04 3929 0.419E-02 0.928E-02 RMM: 7 -0.359217391048E+03 -0.33089E-04 -0.82072E-05 3626 0.262E-02 0.121E-01 RMM: 8 -0.359217294568E+03 0.96479E-04 -0.36902E-05 3103 0.187E-02 0.265E-02 RMM: 9 -0.359217299006E+03 -0.44375E-05 -0.13127E-05 2493 0.102E-02 2563 T= 5673. E= 0.67146832E+03 F= 0.62453369E+03 E0= 0.65455360E+03 EK= 0.46935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358390169800E+03 0.82712E+00 -0.23757E-01 8700 0.217E+01 0.417E-01 RMM: 2 -0.358403180520E+03 -0.13011E-01 -0.13851E-01 5831 0.725E-01 0.680E-01 RMM: 3 -0.358399152016E+03 0.40285E-02 -0.80748E-03 5363 0.206E-01 0.413E-01 RMM: 4 -0.358400148780E+03 -0.99676E-03 -0.23750E-03 5130 0.122E-01 0.579E-01 RMM: 5 -0.358397977391E+03 0.21714E-02 -0.11953E-03 4612 0.929E-02 0.144E-01 RMM: 6 -0.358397965084E+03 0.12307E-04 -0.31356E-04 3954 0.456E-02 0.145E-01 RMM: 7 -0.358397889055E+03 0.76029E-04 -0.11853E-04 3875 0.328E-02 0.112E-01 RMM: 8 -0.358397811781E+03 0.77274E-04 -0.41932E-05 3184 0.192E-02 0.393E-02 RMM: 9 -0.358397826000E+03 -0.14219E-04 -0.23801E-05 2667 0.138E-02 2564 T= 5834. E= 0.67316067E+03 F= 0.62489627E+03 E0= 0.65493250E+03 EK= 0.48264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357438472464E+03 0.95934E+00 -0.26336E-01 8892 0.222E+01 0.378E-01 RMM: 2 -0.357456312489E+03 -0.17840E-01 -0.15389E-01 5484 0.776E-01 0.939E-01 RMM: 3 -0.357448827930E+03 0.74846E-02 -0.94967E-03 5481 0.210E-01 0.265E-01 RMM: 4 -0.357449886240E+03 -0.10583E-02 -0.24616E-03 5034 0.122E-01 0.514E-01 RMM: 5 -0.357448330814E+03 0.15554E-02 -0.11457E-03 4611 0.915E-02 0.184E-01 RMM: 6 -0.357448214788E+03 0.11603E-03 -0.28324E-04 3907 0.434E-02 0.135E-01 RMM: 7 -0.357448173061E+03 0.41728E-04 -0.13691E-04 3873 0.358E-02 0.118E-01 RMM: 8 -0.357448083611E+03 0.89449E-04 -0.47842E-05 3270 0.207E-02 0.341E-02 RMM: 9 -0.357448090957E+03 -0.73461E-05 -0.16813E-05 2529 0.119E-02 2565 T= 6182. E= 0.67653887E+03 F= 0.62539837E+03 E0= 0.65544316E+03 EK= 0.51140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356288633162E+03 0.11595E+01 -0.29072E-01 8868 0.229E+01 0.360E-01 RMM: 2 -0.356307234891E+03 -0.18602E-01 -0.16425E-01 5673 0.797E-01 0.889E-01 RMM: 3 -0.356300224439E+03 0.70105E-02 -0.92761E-03 5379 0.213E-01 0.291E-01 RMM: 4 -0.356300987426E+03 -0.76299E-03 -0.21855E-03 4946 0.116E-01 0.466E-01 RMM: 5 -0.356299702222E+03 0.12852E-02 -0.10779E-03 4612 0.882E-02 0.194E-01 RMM: 6 -0.356299579116E+03 0.12311E-03 -0.38701E-04 4091 0.506E-02 0.146E-01 RMM: 7 -0.356299548234E+03 0.30882E-04 -0.16805E-04 3886 0.391E-02 0.140E-01 RMM: 8 -0.356299426679E+03 0.12155E-03 -0.59036E-05 3421 0.231E-02 0.420E-02 RMM: 9 -0.356299430265E+03 -0.35867E-05 -0.20109E-05 2564 0.131E-02 2566 T= 6618. E= 0.68086311E+03 F= 0.62611385E+03 E0= 0.65615848E+03 EK= 0.54749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354840432064E+03 0.14590E+01 -0.32285E-01 8796 0.237E+01 0.353E-01 RMM: 2 -0.354863071909E+03 -0.22640E-01 -0.17997E-01 5618 0.842E-01 0.108E+00 RMM: 3 -0.354853473304E+03 0.95986E-02 -0.10250E-02 5545 0.217E-01 0.239E-01 RMM: 4 -0.354854087232E+03 -0.61393E-03 -0.21063E-03 4945 0.113E-01 0.433E-01 RMM: 5 -0.354853045465E+03 0.10418E-02 -0.11204E-03 4611 0.911E-02 0.190E-01 RMM: 6 -0.354852999275E+03 0.46190E-04 -0.37465E-04 4044 0.498E-02 0.175E-01 RMM: 7 -0.354852860427E+03 0.13885E-03 -0.19631E-04 3876 0.439E-02 0.111E-01 RMM: 8 -0.354852786232E+03 0.74196E-04 -0.47017E-05 3237 0.207E-02 0.394E-02 RMM: 9 -0.354852795614E+03 -0.93824E-05 -0.21343E-05 2571 0.136E-02 2567 T= 6984. E= 0.68491727E+03 F= 0.62714209E+03 E0= 0.65717886E+03 EK= 0.57775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353018201104E+03 0.18346E+01 -0.34444E-01 8868 0.243E+01 0.354E-01 RMM: 2 -0.353039919494E+03 -0.21718E-01 -0.18589E-01 5717 0.861E-01 0.955E-01 RMM: 3 -0.353032002903E+03 0.79166E-02 -0.10629E-02 5393 0.227E-01 0.291E-01 RMM: 4 -0.353032400763E+03 -0.39786E-03 -0.20009E-03 4938 0.108E-01 0.406E-01 RMM: 5 -0.353031469751E+03 0.93101E-03 -0.11326E-03 4608 0.916E-02 0.200E-01 RMM: 6 -0.353031351656E+03 0.11809E-03 -0.37501E-04 4060 0.500E-02 0.153E-01 RMM: 7 -0.353031327836E+03 0.23820E-04 -0.18949E-04 3892 0.411E-02 0.150E-01 RMM: 8 -0.353031187359E+03 0.14048E-03 -0.74238E-05 3550 0.255E-02 0.425E-02 RMM: 9 -0.353031191765E+03 -0.44060E-05 -0.22340E-05 2630 0.138E-02 2568 T= 7116. E= 0.68742034E+03 F= 0.62855598E+03 E0= 0.65857795E+03 EK= 0.58864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350831584986E+03 0.21996E+01 -0.35955E-01 8784 0.243E+01 0.388E-01 RMM: 2 -0.350853620665E+03 -0.22036E-01 -0.18441E-01 5907 0.868E-01 0.105E+00 RMM: 3 -0.350845040762E+03 0.85799E-02 -0.10349E-02 5408 0.227E-01 0.276E-01 RMM: 4 -0.350846220133E+03 -0.11794E-02 -0.24758E-03 5157 0.122E-01 0.528E-01 RMM: 5 -0.350844492304E+03 0.17278E-02 -0.10961E-03 4616 0.887E-02 0.154E-01 RMM: 6 -0.350844464881E+03 0.27423E-04 -0.28374E-04 3924 0.431E-02 0.148E-01 RMM: 7 -0.350844427870E+03 0.37011E-04 -0.14353E-04 3873 0.355E-02 0.135E-01 RMM: 8 -0.350844312958E+03 0.11491E-03 -0.60585E-05 3436 0.230E-02 0.376E-02 RMM: 9 -0.350844319985E+03 -0.70264E-05 -0.19441E-05 2554 0.126E-02 2569 T= 6947. E= 0.68781341E+03 F= 0.63033922E+03 E0= 0.66034287E+03 EK= 0.57474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348430008303E+03 0.24143E+01 -0.36558E-01 8856 0.239E+01 0.456E-01 RMM: 2 -0.348456597720E+03 -0.26589E-01 -0.19597E-01 5686 0.926E-01 0.130E+00 RMM: 3 -0.348443531144E+03 0.13067E-01 -0.14161E-02 5370 0.264E-01 0.360E-01 RMM: 4 -0.348444620299E+03 -0.10892E-02 -0.34092E-03 5323 0.140E-01 0.546E-01 RMM: 5 -0.348442887320E+03 0.17330E-02 -0.11663E-03 4617 0.908E-02 0.244E-01 RMM: 6 -0.348442538640E+03 0.34868E-03 -0.31303E-04 3942 0.464E-02 0.977E-02 RMM: 7 -0.348442647201E+03 -0.10856E-03 -0.16304E-04 3892 0.338E-02 0.164E-01 RMM: 8 -0.348442473650E+03 0.17355E-03 -0.85759E-05 3649 0.272E-02 0.487E-02 RMM: 9 -0.348442467897E+03 0.57524E-05 -0.23533E-05 2685 0.140E-02 2570 T= 6567. E= 0.68666507E+03 F= 0.63233526E+03 E0= 0.66231841E+03 EK= 0.54330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346082788071E+03 0.23597E+01 -0.32831E-01 8952 0.231E+01 0.514E-01 RMM: 2 -0.346110975145E+03 -0.28187E-01 -0.19146E-01 5539 0.964E-01 0.149E+00 RMM: 3 -0.346095643675E+03 0.15331E-01 -0.16655E-02 5371 0.286E-01 0.434E-01 RMM: 4 -0.346096676169E+03 -0.10325E-02 -0.42395E-03 5310 0.155E-01 0.585E-01 RMM: 5 -0.346094603316E+03 0.20729E-02 -0.13991E-03 4637 0.990E-02 0.251E-01 RMM: 6 -0.346094221300E+03 0.38202E-03 -0.34038E-04 4015 0.486E-02 0.100E-01 RMM: 7 -0.346094307114E+03 -0.85815E-04 -0.15354E-04 3881 0.324E-02 0.156E-01 RMM: 8 -0.346094157751E+03 0.14936E-03 -0.87163E-05 3688 0.262E-02 0.634E-02 RMM: 9 -0.346094141917E+03 0.15834E-04 -0.34141E-05 3021 0.164E-02 2571 T= 6157. E= 0.68520582E+03 F= 0.63427218E+03 E0= 0.66423509E+03 EK= 0.50934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344072406052E+03 0.20218E+01 -0.23760E-01 8988 0.225E+01 0.513E-01 RMM: 2 -0.344101990601E+03 -0.29585E-01 -0.15481E-01 5532 0.882E-01 0.170E+00 RMM: 3 -0.344081868856E+03 0.20122E-01 -0.15983E-02 5354 0.288E-01 0.390E-01 RMM: 4 -0.344083195121E+03 -0.13263E-02 -0.42730E-03 5317 0.156E-01 0.590E-01 RMM: 5 -0.344081191035E+03 0.20041E-02 -0.13091E-03 4619 0.968E-02 0.271E-01 RMM: 6 -0.344080737177E+03 0.45386E-03 -0.31590E-04 3985 0.470E-02 0.926E-02 RMM: 7 -0.344080796761E+03 -0.59584E-04 -0.15998E-04 3885 0.333E-02 0.138E-01 RMM: 8 -0.344080675526E+03 0.12124E-03 -0.80835E-05 3600 0.258E-02 0.507E-02 RMM: 9 -0.344080670541E+03 0.49854E-05 -0.26158E-05 2793 0.149E-02 2572 T= 5884. E= 0.68455010E+03 F= 0.63586953E+03 E0= 0.66581267E+03 EK= 0.48681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342564569120E+03 0.15161E+01 -0.16629E-01 8628 0.222E+01 0.454E-01 RMM: 2 -0.342584622651E+03 -0.20054E-01 -0.10448E-01 5403 0.729E-01 0.147E+00 RMM: 3 -0.342570372188E+03 0.14250E-01 -0.11044E-02 5356 0.242E-01 0.346E-01 RMM: 4 -0.342571601344E+03 -0.12292E-02 -0.33713E-03 5296 0.140E-01 0.556E-01 RMM: 5 -0.342569798193E+03 0.18032E-02 -0.11621E-03 4614 0.915E-02 0.236E-01 RMM: 6 -0.342569447817E+03 0.35038E-03 -0.27270E-04 3931 0.436E-02 0.832E-02 RMM: 7 -0.342569518267E+03 -0.70449E-04 -0.13635E-04 3871 0.317E-02 0.137E-01 RMM: 8 -0.342569401618E+03 0.11665E-03 -0.63249E-05 3458 0.238E-02 0.561E-02 RMM: 9 -0.342569385314E+03 0.16304E-04 -0.20313E-05 2599 0.131E-02 2573 T= 5845. E= 0.68531887E+03 F= 0.63696465E+03 E0= 0.66688981E+03 EK= 0.48354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341548883640E+03 0.10205E+01 -0.14870E-01 8016 0.225E+01 0.399E-01 RMM: 2 -0.341565529484E+03 -0.16646E-01 -0.74181E-02 5269 0.639E-01 0.141E+00 RMM: 3 -0.341552604624E+03 0.12925E-01 -0.88460E-03 5355 0.220E-01 0.299E-01 RMM: 4 -0.341553369700E+03 -0.76508E-03 -0.24431E-03 5174 0.120E-01 0.470E-01 RMM: 5 -0.341552310319E+03 0.10594E-02 -0.10475E-03 4608 0.879E-02 0.264E-01 RMM: 6 -0.341551872705E+03 0.43761E-03 -0.31048E-04 3907 0.467E-02 0.843E-02 RMM: 7 -0.341551938714E+03 -0.66009E-04 -0.15540E-04 3894 0.350E-02 0.138E-01 RMM: 8 -0.341551817651E+03 0.12106E-03 -0.68924E-05 3512 0.253E-02 0.447E-02 RMM: 9 -0.341551810052E+03 0.75987E-05 -0.15475E-05 2536 0.118E-02 2574 T= 6051. E= 0.68763065E+03 F= 0.63757237E+03 E0= 0.66748132E+03 EK= 0.50058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340870693799E+03 0.68112E+00 -0.16757E-01 8880 0.232E+01 0.433E-01 RMM: 2 -0.340897152630E+03 -0.26459E-01 -0.10654E-01 5334 0.781E-01 0.169E+00 RMM: 3 -0.340877599997E+03 0.19553E-01 -0.14258E-02 5373 0.280E-01 0.429E-01 RMM: 4 -0.340876600863E+03 0.99913E-03 -0.23839E-03 4967 0.109E-01 0.246E-01 RMM: 5 -0.340876715468E+03 -0.11461E-03 -0.11295E-03 4609 0.913E-02 0.319E-01 RMM: 6 -0.340876139268E+03 0.57620E-03 -0.49535E-04 4516 0.594E-02 0.120E-01 RMM: 7 -0.340876259948E+03 -0.12068E-03 -0.24550E-04 3888 0.419E-02 0.186E-01 RMM: 8 -0.340876047403E+03 0.21254E-03 -0.12958E-04 3853 0.351E-02 0.603E-02 RMM: 9 -0.340876030816E+03 0.16587E-04 -0.19942E-05 2596 0.135E-02 2575 T= 6437. E= 0.69110023E+03 F= 0.63784981E+03 E0= 0.66774497E+03 EK= 0.53250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340332786452E+03 0.54326E+00 -0.20647E-01 9144 0.241E+01 0.388E-01 RMM: 2 -0.340359699466E+03 -0.26913E-01 -0.14574E-01 5406 0.869E-01 0.155E+00 RMM: 3 -0.340343355809E+03 0.16344E-01 -0.14240E-02 5389 0.267E-01 0.358E-01 RMM: 4 -0.340342739902E+03 0.61591E-03 -0.19596E-03 4767 0.987E-02 0.255E-01 RMM: 5 -0.340342570150E+03 0.16975E-03 -0.11078E-03 4608 0.932E-02 0.256E-01 RMM: 6 -0.340342305456E+03 0.26469E-03 -0.51403E-04 4534 0.588E-02 0.165E-01 RMM: 7 -0.340342445443E+03 -0.13999E-03 -0.29974E-04 3908 0.466E-02 0.222E-01 RMM: 8 -0.340342134769E+03 0.31067E-03 -0.16010E-04 3877 0.382E-02 0.573E-02 RMM: 9 -0.340342128182E+03 0.65875E-05 -0.26323E-05 2785 0.151E-02 2576 T= 6863. E= 0.69477319E+03 F= 0.63799860E+03 E0= 0.66788192E+03 EK= 0.56775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339787634601E+03 0.55450E+00 -0.23002E-01 9144 0.247E+01 0.386E-01 RMM: 2 -0.339817451685E+03 -0.29817E-01 -0.16497E-01 5423 0.907E-01 0.157E+00 RMM: 3 -0.339800166932E+03 0.17285E-01 -0.15872E-02 5413 0.277E-01 0.389E-01 RMM: 4 -0.339799302333E+03 0.86460E-03 -0.20501E-03 4760 0.996E-02 0.215E-01 RMM: 5 -0.339799103693E+03 0.19864E-03 -0.89465E-04 4608 0.836E-02 0.221E-01 RMM: 6 -0.339798979878E+03 0.12382E-03 -0.42869E-04 4465 0.538E-02 0.176E-01 RMM: 7 -0.339799042314E+03 -0.62437E-04 -0.26150E-04 3892 0.437E-02 0.204E-01 RMM: 8 -0.339798781990E+03 0.26032E-03 -0.13543E-04 3837 0.343E-02 0.572E-02 RMM: 9 -0.339798774179E+03 0.78105E-05 -0.25804E-05 2696 0.147E-02 2577 T= 7148. E= 0.69730122E+03 F= 0.63816754E+03 E0= 0.66804199E+03 EK= 0.59134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339177838868E+03 0.62094E+00 -0.23836E-01 9024 0.248E+01 0.387E-01 RMM: 2 -0.339207559515E+03 -0.29721E-01 -0.16223E-01 5426 0.875E-01 0.162E+00 RMM: 3 -0.339189445900E+03 0.18114E-01 -0.14428E-02 5401 0.265E-01 0.332E-01 RMM: 4 -0.339189057469E+03 0.38843E-03 -0.20660E-03 4830 0.103E-01 0.281E-01 RMM: 5 -0.339188784553E+03 0.27292E-03 -0.97710E-04 4608 0.863E-02 0.254E-01 RMM: 6 -0.339188499429E+03 0.28512E-03 -0.45199E-04 4436 0.543E-02 0.155E-01 RMM: 7 -0.339188604725E+03 -0.10530E-03 -0.27755E-04 3894 0.453E-02 0.203E-01 RMM: 8 -0.339188340702E+03 0.26402E-03 -0.13470E-04 3847 0.345E-02 0.487E-02 RMM: 9 -0.339188339240E+03 0.14617E-05 -0.27526E-05 2764 0.153E-02 2578 T= 7156. E= 0.69761144E+03 F= 0.63840836E+03 E0= 0.66827613E+03 EK= 0.59203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338528050264E+03 0.66029E+00 -0.24143E-01 8892 0.245E+01 0.360E-01 RMM: 2 -0.338548092535E+03 -0.20042E-01 -0.15043E-01 5420 0.809E-01 0.110E+00 RMM: 3 -0.338538604937E+03 0.94876E-02 -0.11185E-02 5428 0.228E-01 0.305E-01 RMM: 4 -0.338538695789E+03 -0.90852E-04 -0.20939E-03 4966 0.110E-01 0.359E-01 RMM: 5 -0.338537836452E+03 0.85934E-03 -0.94658E-04 4611 0.837E-02 0.147E-01 RMM: 6 -0.338537897602E+03 -0.61150E-04 -0.28720E-04 3896 0.433E-02 0.180E-01 RMM: 7 -0.338537798799E+03 0.98803E-04 -0.15323E-04 3881 0.359E-02 0.138E-01 RMM: 8 -0.338537677629E+03 0.12117E-03 -0.65518E-05 3458 0.234E-02 0.419E-02 RMM: 9 -0.338537677443E+03 0.18594E-06 -0.19389E-05 2547 0.125E-02 2579 T= 6887. E= 0.69565933E+03 F= 0.63868702E+03 E0= 0.66855077E+03 EK= 0.56972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337912774058E+03 0.62490E+00 -0.23166E-01 8880 0.238E+01 0.423E-01 RMM: 2 -0.337937705881E+03 -0.24932E-01 -0.14948E-01 5311 0.824E-01 0.145E+00 RMM: 3 -0.337922592038E+03 0.15114E-01 -0.13584E-02 5446 0.255E-01 0.303E-01 RMM: 4 -0.337923420404E+03 -0.82837E-03 -0.27805E-03 5316 0.127E-01 0.489E-01 RMM: 5 -0.337922157634E+03 0.12628E-02 -0.97246E-04 4609 0.830E-02 0.256E-01 RMM: 6 -0.337921772814E+03 0.38482E-03 -0.34502E-04 4003 0.485E-02 0.989E-02 RMM: 7 -0.337921890189E+03 -0.11738E-03 -0.17625E-04 3886 0.354E-02 0.169E-01 RMM: 8 -0.337921701166E+03 0.18902E-03 -0.89726E-05 3650 0.279E-02 0.419E-02 RMM: 9 -0.337921698341E+03 0.28251E-05 -0.18721E-05 2551 0.123E-02 2580 T= 6470. E= 0.69244603E+03 F= 0.63892260E+03 E0= 0.66878360E+03 EK= 0.53523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337406013744E+03 0.51569E+00 -0.22083E-01 8952 0.231E+01 0.412E-01 RMM: 2 -0.337422662321E+03 -0.16649E-01 -0.14065E-01 5369 0.782E-01 0.981E-01 RMM: 3 -0.337415238376E+03 0.74239E-02 -0.10728E-02 5435 0.227E-01 0.331E-01 RMM: 4 -0.337416232994E+03 -0.99462E-03 -0.28086E-03 5230 0.129E-01 0.528E-01 RMM: 5 -0.337414478871E+03 0.17541E-02 -0.11866E-03 4608 0.934E-02 0.169E-01 RMM: 6 -0.337414346575E+03 0.13230E-03 -0.22775E-04 3899 0.389E-02 0.106E-01 RMM: 7 -0.337414393057E+03 -0.46482E-04 -0.11384E-04 3873 0.291E-02 0.143E-01 RMM: 8 -0.337414262085E+03 0.13097E-03 -0.59684E-05 3401 0.227E-02 0.399E-02 RMM: 9 -0.337414261092E+03 0.99275E-06 -0.18376E-05 2544 0.122E-02 2581 T= 6076. E= 0.68930537E+03 F= 0.63903843E+03 E0= 0.66889832E+03 EK= 0.50267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337049297632E+03 0.36496E+00 -0.20691E-01 9012 0.226E+01 0.438E-01 RMM: 2 -0.337073331888E+03 -0.24034E-01 -0.12852E-01 5328 0.761E-01 0.153E+00 RMM: 3 -0.337056878798E+03 0.16453E-01 -0.11903E-02 5410 0.247E-01 0.297E-01 RMM: 4 -0.337058211541E+03 -0.13327E-02 -0.30739E-03 5314 0.133E-01 0.554E-01 RMM: 5 -0.337056504908E+03 0.17066E-02 -0.10578E-03 4605 0.870E-02 0.243E-01 RMM: 6 -0.337056134189E+03 0.37072E-03 -0.28444E-04 3907 0.438E-02 0.781E-02 RMM: 7 -0.337056217055E+03 -0.82866E-04 -0.13341E-04 3880 0.312E-02 0.142E-01 RMM: 8 -0.337056085529E+03 0.13153E-03 -0.61200E-05 3422 0.234E-02 0.392E-02 RMM: 9 -0.337056082217E+03 0.33129E-05 -0.15379E-05 2520 0.112E-02 2582 T= 5833. E= 0.68724713E+03 F= 0.63899510E+03 E0= 0.66885320E+03 EK= 0.48252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336838121863E+03 0.21796E+00 -0.19408E-01 9048 0.225E+01 0.397E-01 RMM: 2 -0.336853540982E+03 -0.15419E-01 -0.11080E-01 5370 0.691E-01 0.107E+00 RMM: 3 -0.336844787277E+03 0.87537E-02 -0.89621E-03 5390 0.210E-01 0.302E-01 RMM: 4 -0.336845807705E+03 -0.10204E-02 -0.26861E-03 5171 0.127E-01 0.511E-01 RMM: 5 -0.336844289327E+03 0.15184E-02 -0.10828E-03 4608 0.893E-02 0.210E-01 RMM: 6 -0.336844028986E+03 0.26034E-03 -0.25034E-04 3897 0.412E-02 0.882E-02 RMM: 7 -0.336844102826E+03 -0.73840E-04 -0.12950E-04 3880 0.317E-02 0.144E-01 RMM: 8 -0.336843969921E+03 0.13291E-03 -0.61679E-05 3426 0.236E-02 0.424E-02 RMM: 9 -0.336843964102E+03 0.58191E-05 -0.15625E-05 2524 0.114E-02 2583 T= 5799. E= 0.68676995E+03 F= 0.63880073E+03 E0= 0.66865570E+03 EK= 0.47969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336725354013E+03 0.11862E+00 -0.19237E-01 8964 0.228E+01 0.389E-01 RMM: 2 -0.336744528886E+03 -0.19175E-01 -0.10792E-01 5266 0.706E-01 0.134E+00 RMM: 3 -0.336732028206E+03 0.12501E-01 -0.10198E-02 5425 0.224E-01 0.280E-01 RMM: 4 -0.336732792167E+03 -0.76396E-03 -0.24144E-03 5141 0.119E-01 0.460E-01 RMM: 5 -0.336731692044E+03 0.11001E-02 -0.98193E-04 4598 0.847E-02 0.242E-01 RMM: 6 -0.336731335835E+03 0.35621E-03 -0.28786E-04 3892 0.442E-02 0.855E-02 RMM: 7 -0.336731393111E+03 -0.57276E-04 -0.14947E-04 3881 0.352E-02 0.135E-01 RMM: 8 -0.336731277592E+03 0.11552E-03 -0.60248E-05 3397 0.235E-02 0.392E-02 RMM: 9 -0.336731274421E+03 0.31713E-05 -0.14597E-05 2514 0.112E-02 2584 T= 5974. E= 0.68793087E+03 F= 0.63850857E+03 E0= 0.66835647E+03 EK= 0.49422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336626786472E+03 0.10449E+00 -0.19751E-01 8760 0.234E+01 0.351E-01 RMM: 2 -0.336642803507E+03 -0.16017E-01 -0.10796E-01 5209 0.712E-01 0.109E+00 RMM: 3 -0.336634164338E+03 0.86392E-02 -0.10028E-02 5481 0.213E-01 0.272E-01 RMM: 4 -0.336634543344E+03 -0.37901E-03 -0.19587E-03 4904 0.108E-01 0.393E-01 RMM: 5 -0.336633750576E+03 0.79277E-03 -0.97608E-04 4600 0.856E-02 0.218E-01 RMM: 6 -0.336633500917E+03 0.24966E-03 -0.30310E-04 3916 0.453E-02 0.109E-01 RMM: 7 -0.336633549898E+03 -0.48981E-04 -0.17180E-04 3883 0.385E-02 0.146E-01 RMM: 8 -0.336633413197E+03 0.13670E-03 -0.74973E-05 3547 0.260E-02 0.429E-02 RMM: 9 -0.336633407732E+03 0.54651E-05 -0.15222E-05 2526 0.116E-02 2585 T= 6306. E= 0.69037816E+03 F= 0.63820907E+03 E0= 0.66804443E+03 EK= 0.52169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336434705352E+03 0.19871E+00 -0.21197E-01 8652 0.243E+01 0.347E-01 RMM: 2 -0.336453115535E+03 -0.18410E-01 -0.11455E-01 5231 0.746E-01 0.123E+00 RMM: 3 -0.336442774158E+03 0.10341E-01 -0.11349E-02 5564 0.222E-01 0.270E-01 RMM: 4 -0.336442922586E+03 -0.14843E-03 -0.18430E-03 4860 0.104E-01 0.349E-01 RMM: 5 -0.336442333623E+03 0.58896E-03 -0.97295E-04 4605 0.859E-02 0.222E-01 RMM: 6 -0.336442080855E+03 0.25277E-03 -0.30569E-04 3895 0.453E-02 0.116E-01 RMM: 7 -0.336442110048E+03 -0.29193E-04 -0.19268E-04 3891 0.414E-02 0.142E-01 RMM: 8 -0.336441982758E+03 0.12729E-03 -0.71208E-05 3490 0.253E-02 0.420E-02 RMM: 9 -0.336441979686E+03 0.30729E-05 -0.15426E-05 2521 0.117E-02 2586 T= 6685. E= 0.69331752E+03 F= 0.63801353E+03 E0= 0.66782858E+03 EK= 0.55304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336039602871E+03 0.40238E+00 -0.22225E-01 8676 0.250E+01 0.338E-01 RMM: 2 -0.336056435957E+03 -0.16833E-01 -0.11672E-01 5204 0.758E-01 0.110E+00 RMM: 3 -0.336048036972E+03 0.83990E-02 -0.11257E-02 5574 0.220E-01 0.272E-01 RMM: 4 -0.336048121453E+03 -0.84481E-04 -0.17168E-03 4837 0.100E-01 0.337E-01 RMM: 5 -0.336047555335E+03 0.56612E-03 -0.94154E-04 4608 0.846E-02 0.209E-01 RMM: 6 -0.336047358011E+03 0.19732E-03 -0.31688E-04 3916 0.462E-02 0.125E-01 RMM: 7 -0.336047399636E+03 -0.41625E-04 -0.18285E-04 3884 0.400E-02 0.153E-01 RMM: 8 -0.336047248780E+03 0.15086E-03 -0.80150E-05 3591 0.267E-02 0.445E-02 RMM: 9 -0.336047242497E+03 0.62829E-05 -0.15968E-05 2528 0.119E-02 2587 T= 6963. E= 0.69563021E+03 F= 0.63803084E+03 E0= 0.66781691E+03 EK= 0.57599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335362963176E+03 0.68429E+00 -0.22228E-01 8496 0.253E+01 0.348E-01 RMM: 2 -0.335380113000E+03 -0.17150E-01 -0.11441E-01 5274 0.742E-01 0.114E+00 RMM: 3 -0.335370855078E+03 0.92579E-02 -0.10493E-02 5485 0.219E-01 0.269E-01 RMM: 4 -0.335371244155E+03 -0.38908E-03 -0.19701E-03 4967 0.109E-01 0.383E-01 RMM: 5 -0.335370407503E+03 0.83665E-03 -0.87812E-04 4600 0.802E-02 0.195E-01 RMM: 6 -0.335370222944E+03 0.18456E-03 -0.24962E-04 3882 0.407E-02 0.112E-01 RMM: 7 -0.335370249430E+03 -0.26486E-04 -0.15706E-04 3885 0.366E-02 0.137E-01 RMM: 8 -0.335370130661E+03 0.11877E-03 -0.65115E-05 3444 0.242E-02 0.391E-02 RMM: 9 -0.335370129209E+03 0.14519E-05 -0.14643E-05 2516 0.112E-02 2588 T= 7013. E= 0.69634940E+03 F= 0.63833599E+03 E0= 0.66808441E+03 EK= 0.58013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334377618125E+03 0.99251E+00 -0.21446E-01 8364 0.252E+01 0.361E-01 RMM: 2 -0.334393239604E+03 -0.15621E-01 -0.11700E-01 5149 0.760E-01 0.103E+00 RMM: 3 -0.334385655959E+03 0.75836E-02 -0.11050E-02 5496 0.225E-01 0.276E-01 RMM: 4 -0.334386233447E+03 -0.57749E-03 -0.21145E-03 5088 0.112E-01 0.430E-01 RMM: 5 -0.334385177213E+03 0.10562E-02 -0.88901E-04 4611 0.803E-02 0.196E-01 RMM: 6 -0.334384978554E+03 0.19866E-03 -0.24905E-04 3904 0.408E-02 0.105E-01 RMM: 7 -0.334385029925E+03 -0.51371E-04 -0.14309E-04 3875 0.340E-02 0.141E-01 RMM: 8 -0.334384898943E+03 0.13098E-03 -0.66906E-05 3454 0.245E-02 0.379E-02 RMM: 9 -0.334384895926E+03 0.30173E-05 -0.14890E-05 2516 0.111E-02 2589 T= 6809. E= 0.69527588E+03 F= 0.63894918E+03 E0= 0.66865291E+03 EK= 0.56327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333109853092E+03 0.12750E+01 -0.20126E-01 7932 0.248E+01 0.380E-01 RMM: 2 -0.333125138693E+03 -0.15286E-01 -0.10955E-01 5224 0.723E-01 0.108E+00 RMM: 3 -0.333116781113E+03 0.83576E-02 -0.10200E-02 5450 0.217E-01 0.282E-01 RMM: 4 -0.333117767576E+03 -0.98646E-03 -0.24247E-03 5213 0.121E-01 0.493E-01 RMM: 5 -0.333116248099E+03 0.15195E-02 -0.99811E-04 4599 0.855E-02 0.171E-01 RMM: 6 -0.333116098991E+03 0.14911E-03 -0.20807E-04 3882 0.368E-02 0.954E-02 RMM: 7 -0.333116116295E+03 -0.17305E-04 -0.10269E-04 3848 0.287E-02 2590 T= 6441. E= 0.69312895E+03 F= 0.63984104E+03 E0= 0.66949516E+03 EK= 0.53288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331611426088E+03 0.15047E+01 -0.18390E-01 7776 0.242E+01 0.412E-01 RMM: 2 -0.331622495079E+03 -0.11069E-01 -0.95055E-02 5235 0.687E-01 0.911E-01 RMM: 3 -0.331616806957E+03 0.56881E-02 -0.86123E-03 5498 0.202E-01 0.326E-01 RMM: 4 -0.331617996398E+03 -0.11894E-02 -0.25330E-03 5189 0.125E-01 0.549E-01 RMM: 5 -0.331616049866E+03 0.19465E-02 -0.11355E-03 4608 0.909E-02 0.165E-01 RMM: 6 -0.331615963194E+03 0.86671E-04 -0.26379E-04 3893 0.415E-02 0.134E-01 RMM: 7 -0.331615952430E+03 0.10765E-04 -0.14596E-04 3877 0.347E-02 2591 T= 6057. E= 0.69106261E+03 F= 0.64095738E+03 E0= 0.67055925E+03 EK= 0.50105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329932999753E+03 0.16830E+01 -0.17481E-01 7692 0.237E+01 0.393E-01 RMM: 2 -0.329945262467E+03 -0.12263E-01 -0.90938E-02 5171 0.685E-01 0.102E+00 RMM: 3 -0.329938234082E+03 0.70284E-02 -0.92421E-03 5448 0.210E-01 0.306E-01 RMM: 4 -0.329939206543E+03 -0.97246E-03 -0.22719E-03 5103 0.117E-01 0.506E-01 RMM: 5 -0.329937643088E+03 0.15635E-02 -0.99782E-04 4606 0.852E-02 0.193E-01 RMM: 6 -0.329937436220E+03 0.20687E-03 -0.28415E-04 3904 0.438E-02 0.955E-02 RMM: 7 -0.329937504021E+03 -0.67801E-04 -0.11713E-04 3877 0.304E-02 0.144E-01 RMM: 8 -0.329937366098E+03 0.13792E-03 -0.54123E-05 3347 0.221E-02 0.401E-02 RMM: 9 -0.329937362859E+03 0.32388E-05 -0.18659E-05 2553 0.123E-02 2592 T= 5782. E= 0.69007659E+03 F= 0.64224705E+03 E0= 0.67179683E+03 EK= 0.47830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328119268307E+03 0.18181E+01 -0.16935E-01 7968 0.234E+01 0.360E-01 RMM: 2 -0.328132394821E+03 -0.13127E-01 -0.86128E-02 5219 0.659E-01 0.106E+00 RMM: 3 -0.328124287884E+03 0.81069E-02 -0.86567E-03 5511 0.199E-01 0.234E-01 RMM: 4 -0.328125291180E+03 -0.10033E-02 -0.19219E-03 4953 0.108E-01 0.469E-01 RMM: 5 -0.328123831633E+03 0.14595E-02 -0.78945E-04 4612 0.756E-02 0.140E-01 RMM: 6 -0.328123781483E+03 0.50150E-04 -0.23273E-04 3901 0.390E-02 0.120E-01 RMM: 7 -0.328123780302E+03 0.11810E-05 -0.10127E-04 3792 0.286E-02 2593 T= 5693. E= 0.69076504E+03 F= 0.64367192E+03 E0= 0.67317092E+03 EK= 0.47093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326210215382E+03 0.19136E+01 -0.16819E-01 8016 0.235E+01 0.401E-01 RMM: 2 -0.326222514736E+03 -0.12299E-01 -0.89260E-02 5393 0.674E-01 0.104E+00 RMM: 3 -0.326215330864E+03 0.71839E-02 -0.88369E-03 5554 0.204E-01 0.317E-01 RMM: 4 -0.326215971804E+03 -0.64094E-03 -0.21005E-03 4922 0.114E-01 0.468E-01 RMM: 5 -0.326214606203E+03 0.13656E-02 -0.10129E-03 4604 0.843E-02 0.196E-01 RMM: 6 -0.326214477484E+03 0.12872E-03 -0.35452E-04 3961 0.484E-02 0.151E-01 RMM: 7 -0.326214486467E+03 -0.89829E-05 -0.18221E-04 3892 0.384E-02 2594 T= 5818. E= 0.69333137E+03 F= 0.64519992E+03 E0= 0.67465233E+03 EK= 0.48131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324251847853E+03 0.19626E+01 -0.17688E-01 8244 0.239E+01 0.362E-01 RMM: 2 -0.324266389701E+03 -0.14542E-01 -0.10451E-01 5358 0.722E-01 0.105E+00 RMM: 3 -0.324258715798E+03 0.76739E-02 -0.10085E-02 5688 0.206E-01 0.266E-01 RMM: 4 -0.324259072060E+03 -0.35626E-03 -0.17464E-03 4801 0.102E-01 0.395E-01 RMM: 5 -0.324258081004E+03 0.99106E-03 -0.80330E-04 4606 0.753E-02 0.164E-01 RMM: 6 -0.324258061933E+03 0.19072E-04 -0.33668E-04 3945 0.471E-02 0.163E-01 RMM: 7 -0.324258043758E+03 0.18175E-04 -0.15686E-04 3884 0.361E-02 2595 T= 6143. E= 0.69760574E+03 F= 0.64678910E+03 E0= 0.67619832E+03 EK= 0.50817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322312045361E+03 0.19460E+01 -0.19579E-01 8532 0.245E+01 0.385E-01 RMM: 2 -0.322333657281E+03 -0.21612E-01 -0.12381E-01 5301 0.799E-01 0.136E+00 RMM: 3 -0.322320614514E+03 0.13043E-01 -0.13841E-02 5528 0.254E-01 0.332E-01 RMM: 4 -0.322320259756E+03 0.35476E-03 -0.19206E-03 4847 0.102E-01 0.296E-01 RMM: 5 -0.322320031741E+03 0.22801E-03 -0.74995E-04 4605 0.710E-02 0.266E-01 RMM: 6 -0.322319574587E+03 0.45715E-03 -0.45456E-04 4124 0.561E-02 0.997E-02 RMM: 7 -0.322319705415E+03 -0.13083E-03 -0.22439E-04 3897 0.408E-02 0.174E-01 RMM: 8 -0.322319513714E+03 0.19170E-03 -0.98329E-05 3745 0.291E-02 0.618E-02 RMM: 9 -0.322319492459E+03 0.21254E-04 -0.20759E-05 2600 0.130E-02 0.345E-02 RMM: 10 -0.322319495604E+03 -0.31446E-05 -0.19263E-05 2518 0.127E-02 2596 T= 6596. E= 0.70294425E+03 F= 0.64837818E+03 E0= 0.67775169E+03 EK= 0.54566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320475255406E+03 0.18442E+01 -0.21187E-01 8532 0.252E+01 0.293E-01 RMM: 2 -0.320491046611E+03 -0.15791E-01 -0.13258E-01 5352 0.799E-01 0.872E-01 RMM: 3 -0.320485288644E+03 0.57580E-02 -0.11649E-02 5870 0.206E-01 0.193E-01 RMM: 4 -0.320485400702E+03 -0.11206E-03 -0.12550E-03 4695 0.866E-02 0.318E-01 RMM: 5 -0.320484759107E+03 0.64160E-03 -0.53915E-04 4543 0.619E-02 0.126E-01 RMM: 6 -0.320484789707E+03 -0.30601E-04 -0.26404E-04 3916 0.419E-02 0.147E-01 RMM: 7 -0.320484746948E+03 0.42759E-04 -0.11370E-04 3862 0.305E-02 0.128E-01 RMM: 8 -0.320484637093E+03 0.10986E-03 -0.47570E-05 3266 0.201E-02 0.342E-02 RMM: 9 -0.320484632051E+03 0.50414E-05 -0.12434E-05 2495 0.100E-02 2597 T= 7040. E= 0.70812483E+03 F= 0.64988114E+03 E0= 0.67922671E+03 EK= 0.58244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318842518644E+03 0.16421E+01 -0.22866E-01 8712 0.255E+01 0.333E-01 RMM: 2 -0.318861642858E+03 -0.19124E-01 -0.14572E-01 5382 0.825E-01 0.105E+00 RMM: 3 -0.318853331061E+03 0.83118E-02 -0.11925E-02 5681 0.220E-01 0.242E-01 RMM: 4 -0.318853665407E+03 -0.33435E-03 -0.16831E-03 4763 0.993E-02 0.378E-01 RMM: 5 -0.318852759677E+03 0.90573E-03 -0.72609E-04 4605 0.712E-02 0.147E-01 RMM: 6 -0.318852798513E+03 -0.38836E-04 -0.32305E-04 3921 0.454E-02 0.172E-01 RMM: 7 -0.318852746393E+03 0.52120E-04 -0.15061E-04 3890 0.353E-02 0.150E-01 RMM: 8 -0.318852592497E+03 0.15390E-03 -0.70638E-05 3537 0.240E-02 0.396E-02 RMM: 9 -0.318852596268E+03 -0.37709E-05 -0.22979E-05 2655 0.135E-02 2598 T= 7302. E= 0.71160293E+03 F= 0.65119467E+03 E0= 0.68052226E+03 EK= 0.60408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317507215543E+03 0.13454E+01 -0.23449E-01 8568 0.255E+01 0.301E-01 RMM: 2 -0.317525646096E+03 -0.18431E-01 -0.16317E-01 5517 0.845E-01 0.838E-01 RMM: 3 -0.317519561244E+03 0.60849E-02 -0.11872E-02 5793 0.215E-01 0.224E-01 RMM: 4 -0.317519738475E+03 -0.17723E-03 -0.15439E-03 4797 0.971E-02 0.332E-01 RMM: 5 -0.317519043705E+03 0.69477E-03 -0.62295E-04 4565 0.652E-02 0.135E-01 RMM: 6 -0.317519057245E+03 -0.13540E-04 -0.24104E-04 3901 0.399E-02 0.145E-01 RMM: 7 -0.317519021359E+03 0.35886E-04 -0.11223E-04 3865 0.303E-02 0.129E-01 RMM: 8 -0.317518909689E+03 0.11167E-03 -0.55404E-05 3369 0.215E-02 0.342E-02 RMM: 9 -0.317518908992E+03 0.69734E-06 -0.15395E-05 2517 0.111E-02 2599 T= 7262. E= 0.71229660E+03 F= 0.65221658E+03 E0= 0.68153586E+03 EK= 0.60080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316551415801E+03 0.96749E+00 -0.24130E-01 8616 0.250E+01 0.354E-01 RMM: 2 -0.316574902344E+03 -0.23487E-01 -0.18340E-01 5484 0.889E-01 0.109E+00 RMM: 3 -0.316565079503E+03 0.98228E-02 -0.14485E-02 5683 0.244E-01 0.275E-01 RMM: 4 -0.316565410215E+03 -0.33071E-03 -0.20123E-03 5012 0.108E-01 0.395E-01 RMM: 5 -0.316564425986E+03 0.98423E-03 -0.74547E-04 4590 0.718E-02 0.159E-01 RMM: 6 -0.316564351902E+03 0.74084E-04 -0.24525E-04 3901 0.402E-02 0.127E-01 RMM: 7 -0.316564398758E+03 -0.46856E-04 -0.15024E-04 3895 0.331E-02 0.156E-01 RMM: 8 -0.316564237604E+03 0.16115E-03 -0.82669E-05 3608 0.264E-02 0.376E-02 RMM: 9 -0.316564236962E+03 0.64188E-06 -0.17587E-05 2563 0.119E-02 2600 T= 6947. E= 0.71032818E+03 F= 0.65285894E+03 E0= 0.68217688E+03 EK= 0.57469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316035091215E+03 0.52915E+00 -0.24486E-01 8436 0.242E+01 0.384E-01 RMM: 2 -0.316062687649E+03 -0.27596E-01 -0.19598E-01 5421 0.934E-01 0.129E+00 RMM: 3 -0.316049704992E+03 0.12983E-01 -0.16734E-02 5621 0.265E-01 0.280E-01 RMM: 4 -0.316050127998E+03 -0.42301E-03 -0.23148E-03 5163 0.115E-01 0.414E-01 RMM: 5 -0.316049087717E+03 0.10403E-02 -0.76379E-04 4602 0.720E-02 0.189E-01 RMM: 6 -0.316048903115E+03 0.18460E-03 -0.25574E-04 3911 0.414E-02 0.104E-01 RMM: 7 -0.316049003976E+03 -0.10086E-03 -0.14762E-04 3884 0.319E-02 0.164E-01 RMM: 8 -0.316048821360E+03 0.18262E-03 -0.89061E-05 3663 0.274E-02 0.336E-02 RMM: 9 -0.316048823502E+03 -0.21420E-05 -0.16409E-05 2549 0.115E-02 2601 T= 6508. E= 0.70689258E+03 F= 0.65305575E+03 E0= 0.68237519E+03 EK= 0.53837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315997095833E+03 0.51726E-01 -0.23751E-01 8844 0.234E+01 0.390E-01 RMM: 2 -0.316021696545E+03 -0.24601E-01 -0.18811E-01 5404 0.906E-01 0.114E+00 RMM: 3 -0.316010750286E+03 0.10946E-01 -0.15573E-02 5637 0.256E-01 0.306E-01 RMM: 4 -0.316011054326E+03 -0.30404E-03 -0.24129E-03 5170 0.118E-01 0.405E-01 RMM: 5 -0.316010068731E+03 0.98559E-03 -0.79094E-04 4594 0.733E-02 0.199E-01 RMM: 6 -0.316009841333E+03 0.22740E-03 -0.24893E-04 3908 0.412E-02 0.962E-02 RMM: 7 -0.316009944792E+03 -0.10346E-03 -0.14750E-04 3890 0.321E-02 0.159E-01 RMM: 8 -0.316009777212E+03 0.16758E-03 -0.80201E-05 3603 0.258E-02 0.472E-02 RMM: 9 -0.316009765995E+03 0.11218E-04 -0.19011E-05 2586 0.126E-02 2602 T= 6122. E= 0.70341461E+03 F= 0.65276710E+03 E0= 0.68208666E+03 EK= 0.50648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316441487329E+03 -0.43171E+00 -0.22928E-01 8952 0.229E+01 0.391E-01 RMM: 2 -0.316467884015E+03 -0.26397E-01 -0.18570E-01 5315 0.905E-01 0.129E+00 RMM: 3 -0.316454973300E+03 0.12911E-01 -0.16030E-02 5599 0.259E-01 0.274E-01 RMM: 4 -0.316455637460E+03 -0.66416E-03 -0.23699E-03 5145 0.116E-01 0.452E-01 RMM: 5 -0.316454328665E+03 0.13088E-02 -0.81047E-04 4597 0.747E-02 0.170E-01 RMM: 6 -0.316454195749E+03 0.13292E-03 -0.22725E-04 3895 0.382E-02 0.104E-01 RMM: 7 -0.316454277381E+03 -0.81631E-04 -0.14054E-04 3880 0.315E-02 0.156E-01 RMM: 8 -0.316454110058E+03 0.16732E-03 -0.81322E-05 3604 0.259E-02 0.317E-02 RMM: 9 -0.316454111256E+03 -0.11976E-05 -0.15714E-05 2531 0.111E-02 2603 T= 5911. E= 0.70088875E+03 F= 0.65198665E+03 E0= 0.68130190E+03 EK= 0.48902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317341283138E+03 -0.88717E+00 -0.21857E-01 9000 0.228E+01 0.370E-01 RMM: 2 -0.317364452305E+03 -0.23169E-01 -0.17066E-01 5425 0.862E-01 0.117E+00 RMM: 3 -0.317353584399E+03 0.10868E-01 -0.13294E-02 5534 0.244E-01 0.298E-01 RMM: 4 -0.317353736675E+03 -0.15228E-03 -0.22460E-03 5056 0.113E-01 0.359E-01 RMM: 5 -0.317353008489E+03 0.72819E-03 -0.69385E-04 4580 0.676E-02 0.198E-01 RMM: 6 -0.317352781710E+03 0.22678E-03 -0.22590E-04 3900 0.392E-02 0.911E-02 RMM: 7 -0.317352888882E+03 -0.10717E-03 -0.14381E-04 3888 0.320E-02 0.162E-01 RMM: 8 -0.317352715200E+03 0.17368E-03 -0.72862E-05 3533 0.249E-02 0.339E-02 RMM: 9 -0.317352711311E+03 0.38892E-05 -0.15895E-05 2522 0.113E-02 2604 T= 5922. E= 0.69973748E+03 F= 0.65074704E+03 E0= 0.68005165E+03 EK= 0.48990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318622874850E+03 -0.12702E+01 -0.22330E-01 8832 0.231E+01 0.333E-01 RMM: 2 -0.318644896572E+03 -0.22022E-01 -0.17698E-01 5398 0.883E-01 0.103E+00 RMM: 3 -0.318636429993E+03 0.84666E-02 -0.13757E-02 5658 0.235E-01 0.262E-01 RMM: 4 -0.318636615730E+03 -0.18574E-03 -0.18753E-03 4913 0.105E-01 0.361E-01 RMM: 5 -0.318635824681E+03 0.79105E-03 -0.76152E-04 4588 0.732E-02 0.164E-01 RMM: 6 -0.318635730536E+03 0.94146E-04 -0.26222E-04 3894 0.415E-02 0.122E-01 RMM: 7 -0.318635782879E+03 -0.52343E-04 -0.13434E-04 3880 0.324E-02 0.153E-01 RMM: 8 -0.318635623019E+03 0.15986E-03 -0.70645E-05 3504 0.244E-02 0.378E-02 RMM: 9 -0.318635618612E+03 0.44063E-05 -0.15432E-05 2521 0.112E-02 2605 T= 6138. E= 0.69989776E+03 F= 0.64912275E+03 E0= 0.67840997E+03 EK= 0.50775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320176111043E+03 -0.15405E+01 -0.22372E-01 8736 0.238E+01 0.327E-01 RMM: 2 -0.320199281767E+03 -0.23171E-01 -0.18401E-01 5314 0.914E-01 0.107E+00 RMM: 3 -0.320190416675E+03 0.88651E-02 -0.15773E-02 5820 0.243E-01 0.256E-01 RMM: 4 -0.320190270804E+03 0.14587E-03 -0.17033E-03 4857 0.997E-02 0.294E-01 RMM: 5 -0.320189781789E+03 0.48902E-03 -0.69426E-04 4591 0.699E-02 0.178E-01 RMM: 6 -0.320189672785E+03 0.10900E-03 -0.28253E-04 3894 0.434E-02 0.131E-01 RMM: 7 -0.320189716954E+03 -0.44169E-04 -0.14548E-04 3888 0.344E-02 0.161E-01 RMM: 8 -0.320189548559E+03 0.16839E-03 -0.67854E-05 3485 0.240E-02 0.360E-02 RMM: 9 -0.320189546836E+03 0.17230E-05 -0.17917E-05 2531 0.121E-02 2606 T= 6483. E= 0.70086091E+03 F= 0.64723063E+03 E0= 0.67649433E+03 EK= 0.53630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321848958102E+03 -0.16594E+01 -0.23815E-01 8412 0.245E+01 0.320E-01 RMM: 2 -0.321873758789E+03 -0.24801E-01 -0.19477E-01 5266 0.963E-01 0.111E+00 RMM: 3 -0.321864512666E+03 0.92461E-02 -0.17374E-02 5932 0.252E-01 0.268E-01 RMM: 4 -0.321864104926E+03 0.40774E-03 -0.15251E-03 4848 0.943E-02 0.261E-01 RMM: 5 -0.321863752117E+03 0.35281E-03 -0.76576E-04 4607 0.764E-02 0.181E-01 RMM: 6 -0.321863664430E+03 0.87687E-04 -0.34069E-04 3947 0.477E-02 0.145E-01 RMM: 7 -0.321863687226E+03 -0.22796E-04 -0.15889E-04 3880 0.364E-02 0.160E-01 RMM: 8 -0.321863518193E+03 0.16903E-03 -0.72914E-05 3522 0.248E-02 0.420E-02 RMM: 9 -0.321863513604E+03 0.45896E-05 -0.17709E-05 2533 0.121E-02 2607 T= 6827. E= 0.70170323E+03 F= 0.64522262E+03 E0= 0.67445851E+03 EK= 0.56481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323474092933E+03 -0.16106E+01 -0.23377E-01 8484 0.250E+01 0.323E-01 RMM: 2 -0.323497970370E+03 -0.23877E-01 -0.18323E-01 5244 0.937E-01 0.113E+00 RMM: 3 -0.323488649178E+03 0.93212E-02 -0.17004E-02 5915 0.248E-01 0.252E-01 RMM: 4 -0.323488357327E+03 0.29185E-03 -0.15951E-03 4860 0.970E-02 0.274E-01 RMM: 5 -0.323487957893E+03 0.39943E-03 -0.77138E-04 4601 0.756E-02 0.181E-01 RMM: 6 -0.323487878026E+03 0.79867E-04 -0.33597E-04 3964 0.472E-02 0.150E-01 RMM: 7 -0.323487883411E+03 -0.53847E-05 -0.16397E-04 3888 0.370E-02 2608 T= 7021. E= 0.70135089E+03 F= 0.64326628E+03 E0= 0.67247263E+03 EK= 0.58085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324891905167E+03 -0.14040E+01 -0.23370E-01 8196 0.251E+01 0.353E-01 RMM: 2 -0.324913190374E+03 -0.21285E-01 -0.17791E-01 5240 0.933E-01 0.101E+00 RMM: 3 -0.324905606865E+03 0.75835E-02 -0.16284E-02 5935 0.245E-01 0.283E-01 RMM: 4 -0.324905460479E+03 0.14639E-03 -0.17815E-03 4928 0.105E-01 0.345E-01 RMM: 5 -0.324904749547E+03 0.71093E-03 -0.11471E-03 4608 0.938E-02 0.178E-01 RMM: 6 -0.324904804380E+03 -0.54833E-04 -0.43610E-04 4241 0.533E-02 0.204E-01 RMM: 7 -0.324904646875E+03 0.15750E-03 -0.21940E-04 3890 0.441E-02 0.143E-01 RMM: 8 -0.324904519799E+03 0.12708E-03 -0.69463E-05 3472 0.246E-02 0.474E-02 RMM: 9 -0.324904527180E+03 -0.73816E-05 -0.30345E-05 2847 0.157E-02 2609 T= 6968. E= 0.69916266E+03 F= 0.64151528E+03 E0= 0.67069375E+03 EK= 0.57647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325994509840E+03 -0.10900E+01 -0.22668E-01 8280 0.248E+01 0.302E-01 RMM: 2 -0.326016583798E+03 -0.22074E-01 -0.17528E-01 5089 0.930E-01 0.104E+00 RMM: 3 -0.326008438788E+03 0.81450E-02 -0.16978E-02 5877 0.252E-01 0.229E-01 RMM: 4 -0.326008323743E+03 0.11505E-03 -0.15435E-03 4971 0.946E-02 0.289E-01 RMM: 5 -0.326007870268E+03 0.45347E-03 -0.64303E-04 4600 0.691E-02 0.164E-01 RMM: 6 -0.326007760065E+03 0.11020E-03 -0.26381E-04 3897 0.420E-02 0.107E-01 RMM: 7 -0.326007800561E+03 -0.40496E-04 -0.10021E-04 3783 0.289E-02 0.137E-01 RMM: 8 -0.326007675505E+03 0.12506E-03 -0.47291E-05 3268 0.206E-02 0.265E-02 RMM: 9 -0.326007675566E+03 -0.61173E-07 -0.10618E-05 2484 0.922E-03 2610 T= 6688. E= 0.69540160E+03 F= 0.64007020E+03 E0= 0.66922405E+03 EK= 0.55331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326756181468E+03 -0.74851E+00 -0.20975E-01 8436 0.242E+01 0.358E-01 RMM: 2 -0.326771309505E+03 -0.15128E-01 -0.14803E-01 5340 0.827E-01 0.742E-01 RMM: 3 -0.326766778783E+03 0.45307E-02 -0.12123E-02 5861 0.214E-01 0.270E-01 RMM: 4 -0.326767360004E+03 -0.58122E-03 -0.20403E-03 5067 0.115E-01 0.453E-01 RMM: 5 -0.326766027447E+03 0.13326E-02 -0.98868E-04 4608 0.841E-02 0.144E-01 RMM: 6 -0.326766080720E+03 -0.53273E-04 -0.30700E-04 3912 0.444E-02 0.177E-01 RMM: 7 -0.326765955027E+03 0.12569E-03 -0.15266E-04 3874 0.377E-02 0.121E-01 RMM: 8 -0.326765860612E+03 0.94415E-04 -0.48605E-05 3274 0.204E-02 0.365E-02 RMM: 9 -0.326765865673E+03 -0.50609E-05 -0.22043E-05 2576 0.135E-02 2611 T= 6301. E= 0.69108532E+03 F= 0.63895862E+03 E0= 0.66809307E+03 EK= 0.52127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327206192333E+03 -0.44033E+00 -0.21295E-01 8328 0.235E+01 0.359E-01 RMM: 2 -0.327225489638E+03 -0.19297E-01 -0.16626E-01 4951 0.910E-01 0.939E-01 RMM: 3 -0.327218885932E+03 0.66037E-02 -0.17426E-02 5792 0.259E-01 0.275E-01 RMM: 4 -0.327219275116E+03 -0.38918E-03 -0.21615E-03 5235 0.114E-01 0.420E-01 RMM: 5 -0.327218157011E+03 0.11181E-02 -0.86227E-04 4605 0.781E-02 0.162E-01 RMM: 6 -0.327218054615E+03 0.10240E-03 -0.24915E-04 3890 0.405E-02 0.113E-01 RMM: 7 -0.327218090831E+03 -0.36216E-04 -0.11113E-04 3852 0.298E-02 0.142E-01 RMM: 8 -0.327217957302E+03 0.13353E-03 -0.56331E-05 3375 0.222E-02 0.322E-02 RMM: 9 -0.327217958449E+03 -0.11464E-05 -0.15546E-05 2514 0.113E-02 2612 T= 5951. E= 0.68737041E+03 F= 0.63814068E+03 E0= 0.66726077E+03 EK= 0.49230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327435263584E+03 -0.21731E+00 -0.19113E-01 8736 0.229E+01 0.369E-01 RMM: 2 -0.327449180707E+03 -0.13917E-01 -0.12705E-01 5209 0.766E-01 0.824E-01 RMM: 3 -0.327443891620E+03 0.52891E-02 -0.11017E-02 5605 0.216E-01 0.281E-01 RMM: 4 -0.327444611937E+03 -0.72032E-03 -0.21961E-03 5121 0.117E-01 0.462E-01 RMM: 5 -0.327443224383E+03 0.13876E-02 -0.94945E-04 4607 0.823E-02 0.150E-01 RMM: 6 -0.327443171867E+03 0.52516E-04 -0.24686E-04 3894 0.399E-02 0.133E-01 RMM: 7 -0.327443148800E+03 0.23067E-04 -0.12271E-04 3878 0.324E-02 0.128E-01 RMM: 8 -0.327443040427E+03 0.10837E-03 -0.54612E-05 3355 0.216E-02 0.311E-02 RMM: 9 -0.327443046562E+03 -0.61359E-05 -0.17728E-05 2535 0.119E-02 2613 T= 5746. E= 0.68507619E+03 F= 0.63754002E+03 E0= 0.66665060E+03 EK= 0.47536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327521990282E+03 -0.78950E-01 -0.18854E-01 8676 0.226E+01 0.364E-01 RMM: 2 -0.327536677836E+03 -0.14688E-01 -0.11851E-01 5241 0.748E-01 0.948E-01 RMM: 3 -0.327529860041E+03 0.68178E-02 -0.10693E-02 5616 0.216E-01 0.270E-01 RMM: 4 -0.327530614343E+03 -0.75430E-03 -0.21408E-03 5130 0.115E-01 0.458E-01 RMM: 5 -0.327529269797E+03 0.13445E-02 -0.91404E-04 4605 0.815E-02 0.157E-01 RMM: 6 -0.327529181642E+03 0.88154E-04 -0.23116E-04 3888 0.386E-02 0.115E-01 RMM: 7 -0.327529188576E+03 -0.69337E-05 -0.10751E-04 3857 0.296E-02 2614 T= 5742. E= 0.68457771E+03 F= 0.63707434E+03 E0= 0.66617821E+03 EK= 0.47503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327540896501E+03 -0.11715E-01 -0.19636E-01 8700 0.228E+01 0.378E-01 RMM: 2 -0.327553669267E+03 -0.12773E-01 -0.11821E-01 5259 0.745E-01 0.802E-01 RMM: 3 -0.327548745590E+03 0.49237E-02 -0.10083E-02 5610 0.211E-01 0.310E-01 RMM: 4 -0.327549458102E+03 -0.71251E-03 -0.22147E-03 5144 0.118E-01 0.483E-01 RMM: 5 -0.327547902959E+03 0.15551E-02 -0.10987E-03 4611 0.886E-02 0.129E-01 RMM: 6 -0.327548012816E+03 -0.10986E-03 -0.29006E-04 3894 0.431E-02 0.188E-01 RMM: 7 -0.327547843081E+03 0.16973E-03 -0.14166E-04 3880 0.362E-02 0.111E-01 RMM: 8 -0.327547761680E+03 0.81401E-04 -0.56025E-05 3339 0.215E-02 0.368E-02 RMM: 9 -0.327547776310E+03 -0.14630E-04 -0.24311E-05 2634 0.139E-02 2615 T= 5946. E= 0.68586641E+03 F= 0.63667931E+03 E0= 0.66577916E+03 EK= 0.49187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327534236975E+03 0.13525E-01 -0.20745E-01 8928 0.233E+01 0.288E-01 RMM: 2 -0.327547851243E+03 -0.13614E-01 -0.11292E-01 5336 0.717E-01 0.828E-01 RMM: 3 -0.327542212210E+03 0.56390E-02 -0.87025E-03 5679 0.193E-01 0.213E-01 RMM: 4 -0.327542534092E+03 -0.32188E-03 -0.13812E-03 4781 0.930E-02 0.340E-01 RMM: 5 -0.327541813513E+03 0.72058E-03 -0.64808E-04 4611 0.699E-02 0.140E-01 RMM: 6 -0.327541762003E+03 0.51510E-04 -0.22716E-04 3893 0.386E-02 0.114E-01 RMM: 7 -0.327541750800E+03 0.11204E-04 -0.87573E-05 3685 0.282E-02 2616 T= 6313. E= 0.68854349E+03 F= 0.63631788E+03 E0= 0.66541225E+03 EK= 0.52226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327509808318E+03 0.31954E-01 -0.22398E-01 8964 0.240E+01 0.355E-01 RMM: 2 -0.327523666379E+03 -0.13858E-01 -0.12716E-01 5423 0.762E-01 0.795E-01 RMM: 3 -0.327518491658E+03 0.51747E-02 -0.95238E-03 5771 0.199E-01 0.284E-01 RMM: 4 -0.327518897506E+03 -0.40585E-03 -0.19189E-03 4925 0.111E-01 0.422E-01 RMM: 5 -0.327517712645E+03 0.11849E-02 -0.10909E-03 4608 0.892E-02 0.137E-01 RMM: 6 -0.327517870838E+03 -0.15819E-03 -0.33804E-04 3914 0.471E-02 0.209E-01 RMM: 7 -0.327517638914E+03 0.23192E-03 -0.16941E-04 3880 0.405E-02 0.110E-01 RMM: 8 -0.327517562531E+03 0.76383E-04 -0.52032E-05 3292 0.209E-02 0.411E-02 RMM: 9 -0.327517572313E+03 -0.97814E-05 -0.25745E-05 2629 0.145E-02 2617 T= 6740. E= 0.69174084E+03 F= 0.63598640E+03 E0= 0.66507518E+03 EK= 0.55754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327442474718E+03 0.75088E-01 -0.23781E-01 8952 0.246E+01 0.267E-01 RMM: 2 -0.327459934343E+03 -0.17460E-01 -0.14516E-01 5331 0.816E-01 0.865E-01 RMM: 3 -0.327453623544E+03 0.63108E-02 -0.10836E-02 5826 0.214E-01 0.198E-01 RMM: 4 -0.327453647968E+03 -0.24424E-04 -0.11452E-03 4758 0.830E-02 0.273E-01 RMM: 5 -0.327453172920E+03 0.47505E-03 -0.54342E-04 4601 0.644E-02 0.125E-01 RMM: 6 -0.327453224851E+03 -0.51931E-04 -0.28331E-04 3897 0.430E-02 0.156E-01 RMM: 7 -0.327453140035E+03 0.84816E-04 -0.11368E-04 3839 0.322E-02 0.113E-01 RMM: 8 -0.327453054090E+03 0.85945E-04 -0.34314E-05 3055 0.174E-02 0.295E-02 RMM: 9 -0.327453052940E+03 0.11500E-05 -0.12454E-05 2487 0.101E-02 2618 T= 7070. E= 0.69419023E+03 F= 0.63570594E+03 E0= 0.66478575E+03 EK= 0.58484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327306530384E+03 0.14652E+00 -0.25196E-01 8916 0.250E+01 0.328E-01 RMM: 2 -0.327324892713E+03 -0.18362E-01 -0.15433E-01 5640 0.819E-01 0.913E-01 RMM: 3 -0.327317718465E+03 0.71742E-02 -0.95125E-03 5570 0.209E-01 0.241E-01 RMM: 4 -0.327318025784E+03 -0.30732E-03 -0.17667E-03 4878 0.106E-01 0.365E-01 RMM: 5 -0.327317240159E+03 0.78563E-03 -0.81804E-04 4600 0.765E-02 0.179E-01 RMM: 6 -0.327317197738E+03 0.42421E-04 -0.34586E-04 3947 0.475E-02 0.164E-01 RMM: 7 -0.327317133917E+03 0.63821E-04 -0.17742E-04 3891 0.396E-02 0.138E-01 RMM: 8 -0.327317006974E+03 0.12694E-03 -0.69933E-05 3505 0.244E-02 0.423E-02 RMM: 9 -0.327317005572E+03 0.14022E-05 -0.20082E-05 2576 0.129E-02 2619 T= 7158. E= 0.69472178E+03 F= 0.63550323E+03 E0= 0.66457190E+03 EK= 0.59219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327088063555E+03 0.22894E+00 -0.25466E-01 8892 0.249E+01 0.331E-01 RMM: 2 -0.327110081803E+03 -0.22018E-01 -0.16587E-01 5541 0.853E-01 0.110E+00 RMM: 3 -0.327100247125E+03 0.98347E-02 -0.11441E-02 5478 0.235E-01 0.232E-01 RMM: 4 -0.327100707179E+03 -0.46005E-03 -0.17639E-03 4981 0.102E-01 0.383E-01 RMM: 5 -0.327099757819E+03 0.94936E-03 -0.70913E-04 4608 0.708E-02 0.131E-01 RMM: 6 -0.327099826811E+03 -0.68992E-04 -0.29293E-04 3893 0.431E-02 0.172E-01 RMM: 7 -0.327099735762E+03 0.91049E-04 -0.13740E-04 3885 0.348E-02 0.132E-01 RMM: 8 -0.327099622098E+03 0.11366E-03 -0.54542E-05 3335 0.213E-02 0.348E-02 RMM: 9 -0.327099624415E+03 -0.23173E-05 -0.16654E-05 2529 0.116E-02 2620 T= 6965. E= 0.69299861E+03 F= 0.63538193E+03 E0= 0.66443713E+03 EK= 0.57617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326820195612E+03 0.27943E+00 -0.24031E-01 8940 0.244E+01 0.364E-01 RMM: 2 -0.326841929661E+03 -0.21734E-01 -0.16330E-01 5683 0.834E-01 0.112E+00 RMM: 3 -0.326831677912E+03 0.10252E-01 -0.10858E-02 5426 0.227E-01 0.260E-01 RMM: 4 -0.326832279395E+03 -0.60148E-03 -0.21651E-03 5075 0.113E-01 0.421E-01 RMM: 5 -0.326831260326E+03 0.10191E-02 -0.79690E-04 4602 0.751E-02 0.202E-01 RMM: 6 -0.326831044523E+03 0.21580E-03 -0.27992E-04 3904 0.432E-02 0.103E-01 RMM: 7 -0.326831086135E+03 -0.41611E-04 -0.12765E-04 3882 0.322E-02 0.137E-01 RMM: 8 -0.326830962019E+03 0.12412E-03 -0.58422E-05 3392 0.226E-02 0.330E-02 RMM: 9 -0.326830966563E+03 -0.45442E-05 -0.18363E-05 2552 0.121E-02 2621 T= 6583. E= 0.68976396E+03 F= 0.63530633E+03 E0= 0.66434756E+03 EK= 0.54458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326560711113E+03 0.27025E+00 -0.22837E-01 8928 0.237E+01 0.381E-01 RMM: 2 -0.326580752091E+03 -0.20041E-01 -0.16548E-01 5488 0.857E-01 0.101E+00 RMM: 3 -0.326572470600E+03 0.82815E-02 -0.12388E-02 5508 0.237E-01 0.274E-01 RMM: 4 -0.326573381380E+03 -0.91078E-03 -0.23080E-03 5158 0.117E-01 0.483E-01 RMM: 5 -0.326571863077E+03 0.15183E-02 -0.90289E-04 4607 0.797E-02 0.145E-01 RMM: 6 -0.326571801701E+03 0.61376E-04 -0.23921E-04 3887 0.395E-02 0.121E-01 RMM: 7 -0.326571814127E+03 -0.12426E-04 -0.11840E-04 3874 0.305E-02 2622 T= 6176. E= 0.68630097E+03 F= 0.63521245E+03 E0= 0.66424007E+03 EK= 0.51089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326379744504E+03 0.19206E+00 -0.21041E-01 8952 0.231E+01 0.413E-01 RMM: 2 -0.326397173283E+03 -0.17429E-01 -0.14575E-01 5636 0.788E-01 0.999E-01 RMM: 3 -0.326389283511E+03 0.78898E-02 -0.96484E-03 5440 0.214E-01 0.328E-01 RMM: 4 -0.326390306956E+03 -0.10234E-02 -0.26347E-03 5229 0.125E-01 0.527E-01 RMM: 5 -0.326388496386E+03 0.18106E-02 -0.11367E-03 4604 0.910E-02 0.149E-01 RMM: 6 -0.326388452867E+03 0.43520E-04 -0.24870E-04 3894 0.403E-02 0.133E-01 RMM: 7 -0.326388449986E+03 0.28809E-05 -0.13396E-04 3883 0.322E-02 2623 T= 5885. E= 0.68371971E+03 F= 0.63503443E+03 E0= 0.66404816E+03 EK= 0.48685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326321112559E+03 0.67340E-01 -0.20604E-01 9072 0.228E+01 0.379E-01 RMM: 2 -0.326337635025E+03 -0.16522E-01 -0.13949E-01 5369 0.785E-01 0.943E-01 RMM: 3 -0.326330600476E+03 0.70345E-02 -0.11227E-02 5520 0.228E-01 0.294E-01 RMM: 4 -0.326331450250E+03 -0.84977E-03 -0.21953E-03 5083 0.114E-01 0.476E-01 RMM: 5 -0.326330120078E+03 0.13302E-02 -0.83020E-04 4610 0.761E-02 0.203E-01 RMM: 6 -0.326329868796E+03 0.25128E-03 -0.28775E-04 3914 0.443E-02 0.835E-02 RMM: 7 -0.326329943707E+03 -0.74911E-04 -0.10560E-04 3841 0.290E-02 0.139E-01 RMM: 8 -0.326329814657E+03 0.12905E-03 -0.43973E-05 3226 0.203E-02 0.349E-02 RMM: 9 -0.326329815803E+03 -0.11462E-05 -0.17485E-05 2537 0.119E-02 2624 T= 5792. E= 0.68264518E+03 F= 0.63472717E+03 E0= 0.66372682E+03 EK= 0.47918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326403629550E+03 -0.73815E-01 -0.20213E-01 9024 0.229E+01 0.325E-01 RMM: 2 -0.326419074284E+03 -0.15445E-01 -0.12487E-01 5669 0.713E-01 0.909E-01 RMM: 3 -0.326412108544E+03 0.69657E-02 -0.76685E-03 5415 0.191E-01 0.217E-01 RMM: 4 -0.326413017801E+03 -0.90926E-03 -0.17192E-03 4806 0.102E-01 0.442E-01 RMM: 5 -0.326411733960E+03 0.12838E-02 -0.71144E-04 4575 0.716E-02 0.119E-01 RMM: 6 -0.326411706219E+03 0.27741E-04 -0.20006E-04 3894 0.362E-02 0.106E-01 RMM: 7 -0.326411700716E+03 0.55028E-05 -0.82171E-05 3682 0.268E-02 2625 T= 5918. E= 0.68323806E+03 F= 0.63428074E+03 E0= 0.66326637E+03 EK= 0.48957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326604059581E+03 -0.19235E+00 -0.20569E-01 9060 0.235E+01 0.361E-01 RMM: 2 -0.326618233820E+03 -0.14174E-01 -0.12275E-01 5588 0.724E-01 0.859E-01 RMM: 3 -0.326612197182E+03 0.60366E-02 -0.84387E-03 5521 0.195E-01 0.266E-01 RMM: 4 -0.326612858149E+03 -0.66097E-03 -0.19580E-03 4849 0.110E-01 0.440E-01 RMM: 5 -0.326611640414E+03 0.12177E-02 -0.10027E-03 4608 0.852E-02 0.161E-01 RMM: 6 -0.326611614923E+03 0.25491E-04 -0.29033E-04 3919 0.439E-02 0.157E-01 RMM: 7 -0.326611548368E+03 0.66555E-04 -0.16967E-04 3880 0.396E-02 0.130E-01 RMM: 8 -0.326611440630E+03 0.10774E-03 -0.63167E-05 3438 0.236E-02 0.410E-02 RMM: 9 -0.326611450437E+03 -0.98077E-05 -0.23951E-05 2636 0.142E-02 2626 T= 6228. E= 0.68524547E+03 F= 0.63372342E+03 E0= 0.66269316E+03 EK= 0.51522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326865913734E+03 -0.25447E+00 -0.21471E-01 9048 0.242E+01 0.266E-01 RMM: 2 -0.326881820739E+03 -0.15907E-01 -0.12836E-01 5573 0.737E-01 0.878E-01 RMM: 3 -0.326875392232E+03 0.64285E-02 -0.84016E-03 5592 0.187E-01 0.185E-01 RMM: 4 -0.326875665214E+03 -0.27298E-03 -0.12234E-03 4687 0.858E-02 0.312E-01 RMM: 5 -0.326875035379E+03 0.62984E-03 -0.57915E-04 4589 0.661E-02 0.113E-01 RMM: 6 -0.326875091609E+03 -0.56230E-04 -0.25788E-04 3918 0.413E-02 0.147E-01 RMM: 7 -0.326875010168E+03 0.81441E-04 -0.94937E-05 3752 0.303E-02 0.102E-01 RMM: 8 -0.326874939702E+03 0.70466E-04 -0.31221E-05 2971 0.170E-02 0.272E-02 RMM: 9 -0.326874940331E+03 -0.62832E-06 -0.11957E-05 2480 0.997E-03 2627 T= 6630. E= 0.68796005E+03 F= 0.63311264E+03 E0= 0.66206513E+03 EK= 0.54847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327127103174E+03 -0.25216E+00 -0.23004E-01 9036 0.250E+01 0.297E-01 RMM: 2 -0.327142980593E+03 -0.15877E-01 -0.13933E-01 5536 0.793E-01 0.799E-01 RMM: 3 -0.327137774950E+03 0.52056E-02 -0.10007E-02 5624 0.199E-01 0.234E-01 RMM: 4 -0.327137922679E+03 -0.14773E-03 -0.15044E-03 4827 0.974E-02 0.331E-01 RMM: 5 -0.327137272967E+03 0.64971E-03 -0.76558E-04 4608 0.749E-02 0.159E-01 RMM: 6 -0.327137297573E+03 -0.24605E-04 -0.31312E-04 3907 0.455E-02 0.174E-01 RMM: 7 -0.327137167034E+03 0.13054E-03 -0.16654E-04 3884 0.400E-02 0.112E-01 RMM: 8 -0.327137087817E+03 0.79217E-04 -0.44833E-05 3222 0.200E-02 0.385E-02 RMM: 9 -0.327137092752E+03 -0.49346E-05 -0.20508E-05 2548 0.132E-02 2628 T= 6979. E= 0.69024807E+03 F= 0.63251330E+03 E0= 0.66144646E+03 EK= 0.57735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327340554347E+03 -0.20347E+00 -0.23132E-01 9072 0.254E+01 0.298E-01 RMM: 2 -0.327358012908E+03 -0.17459E-01 -0.14227E-01 5457 0.808E-01 0.915E-01 RMM: 3 -0.327351520716E+03 0.64922E-02 -0.11170E-02 5662 0.213E-01 0.237E-01 RMM: 4 -0.327351523960E+03 -0.32437E-05 -0.13541E-03 4759 0.889E-02 0.291E-01 RMM: 5 -0.327351026907E+03 0.49705E-03 -0.65747E-04 4601 0.696E-02 0.161E-01 RMM: 6 -0.327350978141E+03 0.48765E-04 -0.30811E-04 3959 0.456E-02 0.142E-01 RMM: 7 -0.327350956616E+03 0.21526E-04 -0.12842E-04 3875 0.343E-02 0.135E-01 RMM: 8 -0.327350837179E+03 0.11944E-03 -0.49216E-05 3288 0.209E-02 0.378E-02 RMM: 9 -0.327350837265E+03 -0.85947E-07 -0.17305E-05 2521 0.119E-02 2629 T= 7127. E= 0.69092967E+03 F= 0.63196897E+03 E0= 0.66088155E+03 EK= 0.58961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327494389256E+03 -0.14355E+00 -0.21937E-01 8784 0.254E+01 0.314E-01 RMM: 2 -0.327511191292E+03 -0.16802E-01 -0.14180E-01 5496 0.807E-01 0.862E-01 RMM: 3 -0.327505245650E+03 0.59456E-02 -0.11221E-02 5527 0.219E-01 0.244E-01 RMM: 4 -0.327505596148E+03 -0.35050E-03 -0.17057E-03 4992 0.102E-01 0.367E-01 RMM: 5 -0.327504804588E+03 0.79156E-03 -0.71690E-04 4610 0.720E-02 0.171E-01 RMM: 6 -0.327504705990E+03 0.98598E-04 -0.26846E-04 3909 0.424E-02 0.128E-01 RMM: 7 -0.327504698269E+03 0.77211E-05 -0.13191E-04 3883 0.338E-02 2630 T= 7008. E= 0.68945882E+03 F= 0.63148566E+03 E0= 0.66037649E+03 EK= 0.57973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327605884757E+03 -0.10118E+00 -0.19764E-01 8100 0.250E+01 0.370E-01 RMM: 2 -0.327619974746E+03 -0.14090E-01 -0.13161E-01 5313 0.791E-01 0.796E-01 RMM: 3 -0.327615144510E+03 0.48302E-02 -0.11628E-02 5670 0.220E-01 0.292E-01 RMM: 4 -0.327615876605E+03 -0.73210E-03 -0.20768E-03 5111 0.115E-01 0.480E-01 RMM: 5 -0.327614382022E+03 0.14946E-02 -0.98073E-04 4608 0.831E-02 0.145E-01 RMM: 6 -0.327614426313E+03 -0.44291E-04 -0.29275E-04 3916 0.439E-02 0.173E-01 RMM: 7 -0.327614309710E+03 0.11660E-03 -0.14740E-04 3879 0.368E-02 0.123E-01 RMM: 8 -0.327614214491E+03 0.95219E-04 -0.57419E-05 3387 0.220E-02 0.402E-02 RMM: 9 -0.327614227872E+03 -0.13381E-04 -0.25620E-05 2698 0.144E-02 2631 T= 6680. E= 0.68630794E+03 F= 0.63104226E+03 E0= 0.65991140E+03 EK= 0.55266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327689115002E+03 -0.74901E-01 -0.18718E-01 8052 0.243E+01 0.327E-01 RMM: 2 -0.327705077182E+03 -0.15962E-01 -0.12426E-01 5038 0.787E-01 0.972E-01 RMM: 3 -0.327698096014E+03 0.69812E-02 -0.12718E-02 5731 0.228E-01 0.225E-01 RMM: 4 -0.327698740006E+03 -0.64399E-03 -0.16571E-03 4958 0.988E-02 0.416E-01 RMM: 5 -0.327697679935E+03 0.10601E-02 -0.63459E-04 4592 0.674E-02 0.155E-01 RMM: 6 -0.327697548203E+03 0.13173E-03 -0.21532E-04 3888 0.383E-02 0.751E-02 RMM: 7 -0.327697570491E+03 -0.22288E-04 -0.62877E-05 3431 0.236E-02 0.989E-02 RMM: 8 -0.327697506387E+03 0.64104E-04 -0.26173E-05 2844 0.165E-02 0.254E-02 RMM: 9 -0.327697505230E+03 0.11574E-05 -0.83230E-06 2465 0.814E-03 2632 T= 6286. E= 0.68262313E+03 F= 0.63061699E+03 E0= 0.65946261E+03 EK= 0.52006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327757146037E+03 -0.59640E-01 -0.17457E-01 8028 0.237E+01 0.378E-01 RMM: 2 -0.327770073891E+03 -0.12928E-01 -0.10192E-01 5250 0.705E-01 0.945E-01 RMM: 3 -0.327763377759E+03 0.66961E-02 -0.95243E-03 5620 0.203E-01 0.251E-01 RMM: 4 -0.327764342223E+03 -0.96446E-03 -0.21310E-03 5081 0.116E-01 0.484E-01 RMM: 5 -0.327762849671E+03 0.14926E-02 -0.91645E-04 4604 0.812E-02 0.160E-01 RMM: 6 -0.327762768335E+03 0.81335E-04 -0.24660E-04 3888 0.401E-02 0.126E-01 RMM: 7 -0.327762739315E+03 0.29020E-04 -0.11508E-04 3861 0.320E-02 0.115E-01 RMM: 8 -0.327762650523E+03 0.88792E-04 -0.48241E-05 3281 0.206E-02 0.313E-02 RMM: 9 -0.327762657646E+03 -0.71232E-05 -0.16539E-05 2538 0.115E-02 2633 T= 5965. E= 0.67954797E+03 F= 0.63020116E+03 E0= 0.65902131E+03 EK= 0.49347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327802929626E+03 -0.40279E-01 -0.17163E-01 8412 0.232E+01 0.361E-01 RMM: 2 -0.327818065265E+03 -0.15136E-01 -0.10479E-01 5199 0.721E-01 0.106E+00 RMM: 3 -0.327809873615E+03 0.81916E-02 -0.10741E-02 5586 0.215E-01 0.270E-01 RMM: 4 -0.327810469658E+03 -0.59604E-03 -0.19636E-03 4911 0.107E-01 0.430E-01 RMM: 5 -0.327809341187E+03 0.11285E-02 -0.81533E-04 4606 0.768E-02 0.179E-01 RMM: 6 -0.327809188450E+03 0.15274E-03 -0.26949E-04 3907 0.425E-02 0.105E-01 RMM: 7 -0.327809229309E+03 -0.40858E-04 -0.10313E-04 3812 0.295E-02 0.134E-01 RMM: 8 -0.327809107528E+03 0.12178E-03 -0.46341E-05 3255 0.207E-02 0.333E-02 RMM: 9 -0.327809107738E+03 -0.21016E-06 -0.14787E-05 2514 0.109E-02 2634 T= 5806. E= 0.67782645E+03 F= 0.62979820E+03 E0= 0.65858929E+03 EK= 0.48028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327827892447E+03 -0.18785E-01 -0.16738E-01 8712 0.231E+01 0.345E-01 RMM: 2 -0.327841272652E+03 -0.13380E-01 -0.97654E-02 5397 0.679E-01 0.978E-01 RMM: 3 -0.327834139954E+03 0.71327E-02 -0.88468E-03 5545 0.197E-01 0.230E-01 RMM: 4 -0.327834769306E+03 -0.62935E-03 -0.18737E-03 4858 0.108E-01 0.410E-01 RMM: 5 -0.327833701730E+03 0.10676E-02 -0.74980E-04 4608 0.727E-02 0.155E-01 RMM: 6 -0.327833649102E+03 0.52628E-04 -0.23728E-04 3884 0.395E-02 0.134E-01 RMM: 7 -0.327833619234E+03 0.29867E-04 -0.12404E-04 3876 0.330E-02 0.123E-01 RMM: 8 -0.327833520550E+03 0.98685E-04 -0.53726E-05 3351 0.216E-02 0.328E-02 RMM: 9 -0.327833522652E+03 -0.21021E-05 -0.15354E-05 2519 0.112E-02 2635 T= 5843. E= 0.67775808E+03 F= 0.62941673E+03 E0= 0.65817523E+03 EK= 0.48341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327821369424E+03 0.12151E-01 -0.17121E-01 8700 0.233E+01 0.315E-01 RMM: 2 -0.327834205086E+03 -0.12836E-01 -0.99589E-02 5385 0.681E-01 0.893E-01 RMM: 3 -0.327828228861E+03 0.59762E-02 -0.87090E-03 5671 0.188E-01 0.236E-01 RMM: 4 -0.327828654661E+03 -0.42580E-03 -0.15165E-03 4689 0.964E-02 0.383E-01 RMM: 5 -0.327827713897E+03 0.94076E-03 -0.74902E-04 4606 0.745E-02 0.136E-01 RMM: 6 -0.327827733140E+03 -0.19243E-04 -0.26496E-04 3884 0.414E-02 0.151E-01 RMM: 7 -0.327827650577E+03 0.82563E-04 -0.11885E-04 3873 0.331E-02 0.109E-01 RMM: 8 -0.327827573169E+03 0.77408E-04 -0.40518E-05 3172 0.190E-02 0.334E-02 RMM: 9 -0.327827574001E+03 -0.83201E-06 -0.14911E-05 2505 0.112E-02 2636 T= 6067. E= 0.67925951E+03 F= 0.62907095E+03 E0= 0.65779246E+03 EK= 0.50189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327764781532E+03 0.62792E-01 -0.17696E-01 8448 0.238E+01 0.293E-01 RMM: 2 -0.327777300101E+03 -0.12519E-01 -0.10471E-01 5306 0.701E-01 0.812E-01 RMM: 3 -0.327772233172E+03 0.50669E-02 -0.92410E-03 5837 0.190E-01 0.211E-01 RMM: 4 -0.327772475875E+03 -0.24270E-03 -0.13782E-03 4732 0.947E-02 0.336E-01 RMM: 5 -0.327771758654E+03 0.71722E-03 -0.63738E-04 4585 0.675E-02 0.138E-01 RMM: 6 -0.327771787439E+03 -0.28785E-04 -0.25536E-04 3886 0.411E-02 0.157E-01 RMM: 7 -0.327771692434E+03 0.95005E-04 -0.12997E-04 3878 0.349E-02 0.111E-01 RMM: 8 -0.327771612082E+03 0.80351E-04 -0.45781E-05 3258 0.200E-02 0.342E-02 RMM: 9 -0.327771611678E+03 0.40461E-06 -0.15146E-05 2514 0.113E-02 2637 T= 6415. E= 0.68185807E+03 F= 0.62878497E+03 E0= 0.65746552E+03 EK= 0.53073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327627774764E+03 0.14384E+00 -0.18349E-01 8616 0.245E+01 0.282E-01 RMM: 2 -0.327641081696E+03 -0.13307E-01 -0.10206E-01 5391 0.689E-01 0.885E-01 RMM: 3 -0.327634966882E+03 0.61148E-02 -0.84060E-03 5740 0.185E-01 0.207E-01 RMM: 4 -0.327635171358E+03 -0.20448E-03 -0.12701E-03 4651 0.888E-02 0.320E-01 RMM: 5 -0.327634510875E+03 0.66048E-03 -0.66513E-04 4594 0.708E-02 0.123E-01 RMM: 6 -0.327634596408E+03 -0.85533E-04 -0.25458E-04 3882 0.403E-02 0.172E-01 RMM: 7 -0.327634458281E+03 0.13813E-03 -0.12705E-04 3873 0.344E-02 0.100E-01 RMM: 8 -0.327634391321E+03 0.66961E-04 -0.38751E-05 3146 0.185E-02 0.319E-02 RMM: 9 -0.327634392959E+03 -0.16383E-05 -0.14629E-05 2501 0.111E-02 2638 T= 6778. E= 0.68466789E+03 F= 0.62859160E+03 E0= 0.65722797E+03 EK= 0.56076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327379629197E+03 0.25476E+00 -0.19665E-01 8088 0.250E+01 0.278E-01 RMM: 2 -0.327393413054E+03 -0.13784E-01 -0.12267E-01 5155 0.779E-01 0.760E-01 RMM: 3 -0.327388979454E+03 0.44336E-02 -0.11723E-02 6010 0.206E-01 0.208E-01 RMM: 4 -0.327389010171E+03 -0.30717E-04 -0.11997E-03 4801 0.877E-02 0.296E-01 RMM: 5 -0.327388426890E+03 0.58328E-03 -0.62760E-04 4598 0.680E-02 0.122E-01 RMM: 6 -0.327388510960E+03 -0.84071E-04 -0.26099E-04 3892 0.418E-02 0.168E-01 RMM: 7 -0.327388384257E+03 0.12670E-03 -0.11769E-04 3868 0.337E-02 0.105E-01 RMM: 8 -0.327388311015E+03 0.73242E-04 -0.37722E-05 3115 0.182E-02 0.338E-02 RMM: 9 -0.327388309777E+03 0.12379E-05 -0.14773E-05 2498 0.111E-02 2639 T= 7017. E= 0.68656715E+03 F= 0.62851680E+03 E0= 0.65710795E+03 EK= 0.58050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327024653664E+03 0.36366E+00 -0.19691E-01 8028 0.253E+01 0.306E-01 RMM: 2 -0.327040374092E+03 -0.15720E-01 -0.11985E-01 5210 0.775E-01 0.946E-01 RMM: 3 -0.327033433739E+03 0.69404E-02 -0.11318E-02 5689 0.217E-01 0.210E-01 RMM: 4 -0.327033761664E+03 -0.32793E-03 -0.15220E-03 4868 0.971E-02 0.349E-01 RMM: 5 -0.327032971667E+03 0.79000E-03 -0.65737E-04 4603 0.687E-02 0.123E-01 RMM: 6 -0.327033001995E+03 -0.30328E-04 -0.21348E-04 3878 0.370E-02 0.146E-01 RMM: 7 -0.327032922989E+03 0.79006E-04 -0.10858E-04 3837 0.314E-02 0.105E-01 RMM: 8 -0.327032851022E+03 0.71967E-04 -0.39111E-05 3159 0.188E-02 0.307E-02 RMM: 9 -0.327032852663E+03 -0.16413E-05 -0.13796E-05 2499 0.106E-02 2640 T= 7029. E= 0.68670725E+03 F= 0.62855704E+03 E0= 0.65710399E+03 EK= 0.58150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326602421229E+03 0.43043E+00 -0.19270E-01 7824 0.251E+01 0.310E-01 RMM: 2 -0.326616356826E+03 -0.13936E-01 -0.12729E-01 5122 0.809E-01 0.763E-01 RMM: 3 -0.326611976643E+03 0.43802E-02 -0.12619E-02 5906 0.217E-01 0.214E-01 RMM: 4 -0.326612465503E+03 -0.48886E-03 -0.15262E-03 4972 0.990E-02 0.394E-01 RMM: 5 -0.326611470437E+03 0.99507E-03 -0.63848E-04 4576 0.665E-02 0.132E-01 RMM: 6 -0.326611437404E+03 0.33033E-04 -0.21064E-04 3877 0.373E-02 0.118E-01 RMM: 7 -0.326611407333E+03 0.30071E-04 -0.87604E-05 3722 0.288E-02 0.103E-01 RMM: 8 -0.326611334732E+03 0.72601E-04 -0.32673E-05 3020 0.175E-02 0.300E-02 RMM: 9 -0.326611335246E+03 -0.51362E-06 -0.13682E-05 2491 0.106E-02 2641 T= 6815. E= 0.68504073E+03 F= 0.62866413E+03 E0= 0.65717031E+03 EK= 0.56377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326196461232E+03 0.41487E+00 -0.17880E-01 7812 0.246E+01 0.335E-01 RMM: 2 -0.326208647657E+03 -0.12186E-01 -0.98612E-02 5293 0.711E-01 0.869E-01 RMM: 3 -0.326203076102E+03 0.55716E-02 -0.90966E-03 5589 0.197E-01 0.220E-01 RMM: 4 -0.326203874024E+03 -0.79792E-03 -0.17007E-03 4859 0.104E-01 0.434E-01 RMM: 5 -0.326202635010E+03 0.12390E-02 -0.71492E-04 4607 0.709E-02 0.113E-01 RMM: 6 -0.326202617296E+03 0.17715E-04 -0.15524E-04 3874 0.313E-02 2642 T= 6477. E= 0.68233518E+03 F= 0.62875523E+03 E0= 0.65722579E+03 EK= 0.53580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325892465227E+03 0.31017E+00 -0.17048E-01 7440 0.239E+01 0.437E-01 RMM: 2 -0.325917014015E+03 -0.24549E-01 -0.97661E-02 5195 0.736E-01 0.168E+00 RMM: 3 -0.325898118598E+03 0.18895E-01 -0.13580E-02 5356 0.274E-01 0.292E-01 RMM: 4 -0.325898733169E+03 -0.61457E-03 -0.24256E-03 5191 0.112E-01 0.433E-01 RMM: 5 -0.325897715924E+03 0.10172E-02 -0.90635E-04 4608 0.790E-02 0.233E-01 RMM: 6 -0.325897387626E+03 0.32830E-03 -0.37655E-04 3991 0.515E-02 0.991E-02 RMM: 7 -0.325897465294E+03 -0.77668E-04 -0.14675E-04 3873 0.342E-02 0.149E-01 RMM: 8 -0.325897313986E+03 0.15131E-03 -0.81025E-05 3627 0.271E-02 0.488E-02 RMM: 9 -0.325897305209E+03 0.87776E-05 -0.20359E-05 2599 0.134E-02 2643 T= 6155. E= 0.67965469E+03 F= 0.62873806E+03 E0= 0.65717668E+03 EK= 0.50917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325770634506E+03 0.12668E+00 -0.15855E-01 7380 0.235E+01 0.398E-01 RMM: 2 -0.325792007060E+03 -0.21373E-01 -0.78171E-02 5175 0.680E-01 0.158E+00 RMM: 3 -0.325775134962E+03 0.16872E-01 -0.12330E-02 5342 0.269E-01 0.344E-01 RMM: 4 -0.325774973285E+03 0.16168E-03 -0.22651E-03 5161 0.111E-01 0.319E-01 RMM: 5 -0.325774535873E+03 0.43741E-03 -0.64455E-04 4602 0.689E-02 0.218E-01 RMM: 6 -0.325774217053E+03 0.31882E-03 -0.18270E-04 3872 0.360E-02 0.547E-02 RMM: 7 -0.325774268812E+03 -0.51760E-04 -0.84598E-05 3601 0.245E-02 0.106E-01 RMM: 8 -0.325774193403E+03 0.75409E-04 -0.39416E-05 3104 0.204E-02 0.297E-02 RMM: 9 -0.325774188783E+03 0.46204E-05 -0.79408E-06 2473 0.813E-03 2644 T= 5960. E= 0.67784163E+03 F= 0.62853492E+03 E0= 0.65694692E+03 EK= 0.49307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325879394145E+03 -0.10520E+00 -0.15383E-01 7248 0.233E+01 0.364E-01 RMM: 2 -0.325894328258E+03 -0.14934E-01 -0.70248E-02 5244 0.638E-01 0.127E+00 RMM: 3 -0.325883367648E+03 0.10961E-01 -0.83314E-03 5371 0.210E-01 0.238E-01 RMM: 4 -0.325883947489E+03 -0.57984E-03 -0.19226E-03 4923 0.106E-01 0.400E-01 RMM: 5 -0.325883036939E+03 0.91055E-03 -0.81649E-04 4596 0.780E-02 0.190E-01 RMM: 6 -0.325882839830E+03 0.19711E-03 -0.23734E-04 3891 0.405E-02 0.969E-02 RMM: 7 -0.325882870178E+03 -0.30347E-04 -0.12713E-04 3851 0.330E-02 0.125E-01 RMM: 8 -0.325882766126E+03 0.10405E-03 -0.56382E-05 3371 0.228E-02 0.380E-02 RMM: 9 -0.325882761945E+03 0.41816E-05 -0.12955E-05 2506 0.105E-02 2645 T= 5950. E= 0.67731886E+03 F= 0.62809972E+03 E0= 0.65648885E+03 EK= 0.49219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326233096405E+03 -0.35033E+00 -0.15493E-01 7464 0.234E+01 0.325E-01 RMM: 2 -0.326245698310E+03 -0.12602E-01 -0.75318E-02 5168 0.670E-01 0.107E+00 RMM: 3 -0.326237850733E+03 0.78476E-02 -0.88919E-03 5399 0.213E-01 0.208E-01 RMM: 4 -0.326238256296E+03 -0.40556E-03 -0.14920E-03 4779 0.942E-02 0.339E-01 RMM: 5 -0.326237533671E+03 0.72262E-03 -0.58857E-04 4596 0.652E-02 0.147E-01 RMM: 6 -0.326237463594E+03 0.70078E-04 -0.23112E-04 3894 0.394E-02 0.112E-01 RMM: 7 -0.326237447051E+03 0.16542E-04 -0.87350E-05 3703 0.290E-02 2646 T= 6125. E= 0.67809386E+03 F= 0.62742229E+03 E0= 0.65579259E+03 EK= 0.50672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326809980346E+03 -0.57252E+00 -0.15963E-01 7632 0.239E+01 0.306E-01 RMM: 2 -0.326819940403E+03 -0.99601E-02 -0.80490E-02 5186 0.683E-01 0.808E-01 RMM: 3 -0.326815664363E+03 0.42760E-02 -0.80362E-03 5634 0.180E-01 0.228E-01 RMM: 4 -0.326815877231E+03 -0.21287E-03 -0.13406E-03 4745 0.931E-02 0.345E-01 RMM: 5 -0.326815128707E+03 0.74852E-03 -0.89942E-04 4601 0.836E-02 0.134E-01 RMM: 6 -0.326815246171E+03 -0.11746E-03 -0.30851E-04 3910 0.452E-02 0.191E-01 RMM: 7 -0.326815039165E+03 0.20701E-03 -0.15276E-04 3873 0.392E-02 0.925E-02 RMM: 8 -0.326814985785E+03 0.53381E-04 -0.37427E-05 3116 0.182E-02 0.383E-02 RMM: 9 -0.326814991215E+03 -0.54300E-05 -0.20578E-05 2556 0.128E-02 2647 T= 6435. E= 0.67976761E+03 F= 0.62652928E+03 E0= 0.65488282E+03 EK= 0.53238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327546189712E+03 -0.73120E+00 -0.17178E-01 7860 0.245E+01 0.237E-01 RMM: 2 -0.327557581855E+03 -0.11392E-01 -0.90814E-02 5068 0.737E-01 0.792E-01 RMM: 3 -0.327553353458E+03 0.42284E-02 -0.95863E-03 5693 0.194E-01 0.184E-01 RMM: 4 -0.327553213595E+03 0.13986E-03 -0.85084E-04 4677 0.728E-02 0.200E-01 RMM: 5 -0.327552946106E+03 0.26749E-03 -0.44799E-04 4570 0.600E-02 0.116E-01 RMM: 6 -0.327552984523E+03 -0.38417E-04 -0.25726E-04 3904 0.423E-02 0.140E-01 RMM: 7 -0.327552895263E+03 0.89260E-04 -0.92026E-05 3645 0.297E-02 0.876E-02 RMM: 8 -0.327552844608E+03 0.50655E-04 -0.20374E-05 2600 0.139E-02 0.243E-02 RMM: 9 -0.327552843260E+03 0.13482E-05 -0.82248E-06 2461 0.815E-03 2648 T= 6775. E= 0.68153371E+03 F= 0.62548442E+03 E0= 0.65382341E+03 EK= 0.56049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328354642815E+03 -0.80180E+00 -0.18136E-01 7884 0.250E+01 0.273E-01 RMM: 2 -0.328365144322E+03 -0.10502E-01 -0.95318E-02 5056 0.758E-01 0.703E-01 RMM: 3 -0.328361970251E+03 0.31741E-02 -0.10153E-02 5838 0.192E-01 0.194E-01 RMM: 4 -0.328361968169E+03 0.20818E-05 -0.10924E-03 4771 0.871E-02 0.285E-01 RMM: 5 -0.328361465224E+03 0.50295E-03 -0.68256E-04 4597 0.721E-02 0.136E-01 RMM: 6 -0.328361576156E+03 -0.11093E-03 -0.30612E-04 3918 0.455E-02 0.188E-01 RMM: 7 -0.328361386453E+03 0.18970E-03 -0.14332E-04 3871 0.376E-02 0.100E-01 RMM: 8 -0.328361319806E+03 0.66647E-04 -0.38796E-05 3127 0.182E-02 0.351E-02 RMM: 9 -0.328361321658E+03 -0.18520E-05 -0.21805E-05 2524 0.137E-02 2649 T= 7008. E= 0.68235084E+03 F= 0.62437584E+03 E0= 0.65270179E+03 EK= 0.57975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329137023045E+03 -0.77570E+00 -0.18601E-01 7692 0.252E+01 0.240E-01 RMM: 2 -0.329148150374E+03 -0.11127E-01 -0.98641E-02 4950 0.775E-01 0.690E-01 RMM: 3 -0.329145019836E+03 0.31305E-02 -0.11175E-02 5860 0.201E-01 0.183E-01 RMM: 4 -0.329144905611E+03 0.11422E-03 -0.92464E-04 4778 0.796E-02 0.233E-01 RMM: 5 -0.329144525647E+03 0.37996E-03 -0.53766E-04 4571 0.646E-02 0.102E-01 RMM: 6 -0.329144663584E+03 -0.13794E-03 -0.27244E-04 3886 0.428E-02 0.178E-01 RMM: 7 -0.329144477115E+03 0.18647E-03 -0.11629E-04 3762 0.335E-02 0.742E-02 RMM: 8 -0.329144441364E+03 0.35752E-04 -0.20463E-05 2603 0.136E-02 0.293E-02 RMM: 9 -0.329144441762E+03 -0.39858E-06 -0.14234E-05 2486 0.109E-02 2650 T= 7026. E= 0.68142310E+03 F= 0.62329582E+03 E0= 0.65160809E+03 EK= 0.58127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329821824133E+03 -0.67738E+00 -0.18639E-01 7644 0.250E+01 0.277E-01 RMM: 2 -0.329833165276E+03 -0.11341E-01 -0.10496E-01 4809 0.788E-01 0.676E-01 RMM: 3 -0.329830114123E+03 0.30512E-02 -0.12285E-02 5879 0.211E-01 0.194E-01 RMM: 4 -0.329830329418E+03 -0.21529E-03 -0.13233E-03 5026 0.957E-02 0.332E-01 RMM: 5 -0.329829620953E+03 0.70846E-03 -0.63338E-04 4588 0.683E-02 0.118E-01 RMM: 6 -0.329829653365E+03 -0.32412E-04 -0.21231E-04 3889 0.380E-02 0.141E-01 RMM: 7 -0.329829560286E+03 0.93079E-04 -0.95137E-05 3794 0.307E-02 0.898E-02 RMM: 8 -0.329829506149E+03 0.54137E-04 -0.28499E-05 2956 0.163E-02 0.287E-02 RMM: 9 -0.329829508128E+03 -0.19794E-05 -0.12615E-05 2488 0.102E-02 2651 T= 6818. E= 0.67871864E+03 F= 0.62231247E+03 E0= 0.65060928E+03 EK= 0.56406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330382044435E+03 -0.55254E+00 -0.17989E-01 7632 0.245E+01 0.300E-01 RMM: 2 -0.330393493852E+03 -0.11449E-01 -0.10172E-01 4841 0.771E-01 0.733E-01 RMM: 3 -0.330389691171E+03 0.38027E-02 -0.11635E-02 5655 0.216E-01 0.212E-01 RMM: 4 -0.330390209585E+03 -0.51841E-03 -0.15065E-03 5098 0.997E-02 0.381E-01 RMM: 5 -0.330389250967E+03 0.95862E-03 -0.59661E-04 4584 0.650E-02 0.121E-01 RMM: 6 -0.330389213602E+03 0.37364E-04 -0.17768E-04 3881 0.342E-02 0.103E-01 RMM: 7 -0.330389200248E+03 0.13355E-04 -0.76477E-05 3599 0.265E-02 2652 T= 6475. E= 0.67501446E+03 F= 0.62144923E+03 E0= 0.64972844E+03 EK= 0.53565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330835227575E+03 -0.44601E+00 -0.17376E-01 7524 0.238E+01 0.357E-01 RMM: 2 -0.330846265584E+03 -0.11038E-01 -0.10048E-01 4811 0.774E-01 0.770E-01 RMM: 3 -0.330842389725E+03 0.38759E-02 -0.12010E-02 5588 0.225E-01 0.274E-01 RMM: 4 -0.330843147678E+03 -0.75795E-03 -0.19210E-03 5176 0.110E-01 0.462E-01 RMM: 5 -0.330841686122E+03 0.14616E-02 -0.86927E-04 4604 0.786E-02 0.996E-02 RMM: 6 -0.330841740289E+03 -0.54166E-04 -0.18357E-04 3881 0.346E-02 0.140E-01 RMM: 7 -0.330841644433E+03 0.95856E-04 -0.77876E-05 3634 0.267E-02 0.886E-02 RMM: 8 -0.330841592367E+03 0.52065E-04 -0.31954E-05 3001 0.170E-02 0.305E-02 RMM: 9 -0.330841599476E+03 -0.71089E-05 -0.17220E-05 2527 0.118E-02 2653 T= 6131. E= 0.67140767E+03 F= 0.62068630E+03 E0= 0.64894477E+03 EK= 0.50721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331222801310E+03 -0.38121E+00 -0.16685E-01 7656 0.233E+01 0.302E-01 RMM: 2 -0.331233491170E+03 -0.10690E-01 -0.92484E-02 4870 0.734E-01 0.752E-01 RMM: 3 -0.331229538711E+03 0.39525E-02 -0.10557E-02 5559 0.208E-01 0.200E-01 RMM: 4 -0.331230192347E+03 -0.65364E-03 -0.13783E-03 4950 0.932E-02 0.393E-01 RMM: 5 -0.331229164520E+03 0.10278E-02 -0.50902E-04 4527 0.597E-02 0.101E-01 RMM: 6 -0.331229123872E+03 0.40648E-04 -0.12567E-04 3838 0.289E-02 0.733E-02 RMM: 7 -0.331229131361E+03 -0.74890E-05 -0.43134E-05 3143 0.200E-02 2654 T= 5900. E= 0.66879221E+03 F= 0.61998230E+03 E0= 0.64821856E+03 EK= 0.48810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331586607597E+03 -0.35748E+00 -0.16017E-01 7764 0.231E+01 0.345E-01 RMM: 2 -0.331594742118E+03 -0.81345E-02 -0.83211E-02 4939 0.702E-01 0.635E-01 RMM: 3 -0.331592362769E+03 0.23793E-02 -0.95975E-03 5564 0.198E-01 0.277E-01 RMM: 4 -0.331593081262E+03 -0.71849E-03 -0.16121E-03 4963 0.101E-01 0.456E-01 RMM: 5 -0.331591643190E+03 0.14381E-02 -0.80991E-04 4602 0.754E-02 0.926E-02 RMM: 6 -0.331591703011E+03 -0.59821E-04 -0.18450E-04 3886 0.351E-02 0.139E-01 RMM: 7 -0.331591600852E+03 0.10216E-03 -0.71986E-05 3573 0.261E-02 0.810E-02 RMM: 8 -0.331591557847E+03 0.43005E-04 -0.25644E-05 2810 0.153E-02 0.298E-02 RMM: 9 -0.331591564331E+03 -0.64837E-05 -0.16759E-05 2516 0.117E-02 2655 T= 5844. E= 0.66765006E+03 F= 0.61930107E+03 E0= 0.64751398E+03 EK= 0.48349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331942540640E+03 -0.35098E+00 -0.16114E-01 7728 0.231E+01 0.278E-01 RMM: 2 -0.331952487676E+03 -0.99470E-02 -0.84678E-02 4843 0.705E-01 0.726E-01 RMM: 3 -0.331948790468E+03 0.36972E-02 -0.98177E-03 5622 0.195E-01 0.175E-01 RMM: 4 -0.331949260236E+03 -0.46977E-03 -0.12958E-03 4912 0.928E-02 0.349E-01 RMM: 5 -0.331948448809E+03 0.81143E-03 -0.48017E-04 4527 0.582E-02 0.100E-01 RMM: 6 -0.331948433540E+03 0.15269E-04 -0.14964E-04 3874 0.317E-02 2656 T= 5976. E= 0.66806750E+03 F= 0.61862793E+03 E0= 0.64681902E+03 EK= 0.49440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332283703261E+03 -0.33525E+00 -0.16190E-01 7956 0.236E+01 0.387E-01 RMM: 2 -0.332306459088E+03 -0.22756E-01 -0.74284E-02 5136 0.673E-01 0.164E+00 RMM: 3 -0.332288041565E+03 0.18418E-01 -0.11633E-02 5351 0.261E-01 0.277E-01 RMM: 4 -0.332288007256E+03 0.34309E-04 -0.18029E-03 4861 0.964E-02 0.296E-01 RMM: 5 -0.332287759194E+03 0.24806E-03 -0.82332E-04 4608 0.778E-02 0.256E-01 RMM: 6 -0.332287358896E+03 0.40030E-03 -0.38789E-04 4072 0.525E-02 0.967E-02 RMM: 7 -0.332287426996E+03 -0.68099E-04 -0.15722E-04 3880 0.361E-02 0.147E-01 RMM: 8 -0.332287276405E+03 0.15059E-03 -0.85424E-05 3678 0.283E-02 0.339E-02 RMM: 9 -0.332287281905E+03 -0.55000E-05 -0.19203E-05 2578 0.131E-02 2657 T= 6259. E= 0.66976243E+03 F= 0.61797981E+03 E0= 0.64615067E+03 EK= 0.51783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332557674331E+03 -0.27040E+00 -0.16853E-01 7896 0.242E+01 0.325E-01 RMM: 2 -0.332582459692E+03 -0.24785E-01 -0.74033E-02 5109 0.659E-01 0.168E+00 RMM: 3 -0.332562672016E+03 0.19788E-01 -0.11197E-02 5348 0.254E-01 0.262E-01 RMM: 4 -0.332562399469E+03 0.27255E-03 -0.15353E-03 4768 0.872E-02 0.213E-01 RMM: 5 -0.332562337923E+03 0.61546E-04 -0.56057E-04 4598 0.672E-02 0.208E-01 RMM: 6 -0.332562046239E+03 0.29168E-03 -0.22627E-04 3885 0.401E-02 0.606E-02 RMM: 7 -0.332562094221E+03 -0.47983E-04 -0.84694E-05 3639 0.269E-02 0.108E-01 RMM: 8 -0.332562015020E+03 0.79201E-04 -0.35512E-05 3071 0.190E-02 0.211E-02 RMM: 9 -0.332562013781E+03 0.12390E-05 -0.63667E-06 2464 0.708E-03 2658 T= 6607. E= 0.67206423E+03 F= 0.61740524E+03 E0= 0.64555995E+03 EK= 0.54659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332701410570E+03 -0.13940E+00 -0.17583E-01 7920 0.248E+01 0.271E-01 RMM: 2 -0.332711755129E+03 -0.10345E-01 -0.71772E-02 5248 0.650E-01 0.883E-01 RMM: 3 -0.332706540389E+03 0.52147E-02 -0.70787E-03 5501 0.177E-01 0.203E-01 RMM: 4 -0.332706581990E+03 -0.41601E-04 -0.10430E-03 4628 0.812E-02 0.261E-01 RMM: 5 -0.332706145707E+03 0.43628E-03 -0.61874E-04 4608 0.700E-02 0.131E-01 RMM: 6 -0.332706199023E+03 -0.53316E-04 -0.25765E-04 3897 0.415E-02 0.160E-01 RMM: 7 -0.332706059808E+03 0.13922E-03 -0.11377E-04 3862 0.343E-02 0.859E-02 RMM: 8 -0.332706011101E+03 0.48708E-04 -0.27176E-05 2902 0.158E-02 0.302E-02 RMM: 9 -0.332706012534E+03 -0.14334E-05 -0.18017E-05 2505 0.125E-02 2659 T= 6892. E= 0.67398802E+03 F= 0.61697066E+03 E0= 0.64511531E+03 EK= 0.57017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332653866208E+03 0.52145E-01 -0.18198E-01 8016 0.251E+01 0.258E-01 RMM: 2 -0.332665269656E+03 -0.11403E-01 -0.82841E-02 5162 0.701E-01 0.876E-01 RMM: 3 -0.332660150233E+03 0.51194E-02 -0.87479E-03 5640 0.188E-01 0.191E-01 RMM: 4 -0.332660092130E+03 0.58103E-04 -0.90306E-04 4636 0.746E-02 0.233E-01 RMM: 5 -0.332659731132E+03 0.36100E-03 -0.49433E-04 4577 0.626E-02 0.115E-01 RMM: 6 -0.332659782442E+03 -0.51310E-04 -0.25428E-04 3888 0.415E-02 0.147E-01 RMM: 7 -0.332659673571E+03 0.10887E-03 -0.93497E-05 3681 0.306E-02 0.836E-02 RMM: 8 -0.332659627691E+03 0.45880E-04 -0.20117E-05 2598 0.137E-02 0.254E-02 RMM: 9 -0.332659629197E+03 -0.15061E-05 -0.12743E-05 2478 0.103E-02 2660 T= 6994. E= 0.67459167E+03 F= 0.61673318E+03 E0= 0.64487343E+03 EK= 0.57858E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332397370655E+03 0.26226E+00 -0.18601E-01 7776 0.250E+01 0.265E-01 RMM: 2 -0.332407081777E+03 -0.97111E-02 -0.92534E-02 5083 0.716E-01 0.617E-01 RMM: 3 -0.332404556702E+03 0.25251E-02 -0.96681E-03 5842 0.182E-01 0.185E-01 RMM: 4 -0.332404744312E+03 -0.18761E-03 -0.11093E-03 4749 0.873E-02 0.314E-01 RMM: 5 -0.332404093927E+03 0.65038E-03 -0.51226E-04 4540 0.609E-02 0.107E-01 RMM: 6 -0.332404150444E+03 -0.56517E-04 -0.19776E-04 3889 0.363E-02 0.144E-01 RMM: 7 -0.332404039765E+03 0.11068E-03 -0.77255E-05 3598 0.277E-02 0.783E-02 RMM: 8 -0.332403998712E+03 0.41052E-04 -0.21740E-05 2694 0.143E-02 0.250E-02 RMM: 9 -0.332404001690E+03 -0.29777E-05 -0.13290E-05 2490 0.103E-02 2661 T= 6867. E= 0.67351295E+03 F= 0.61670782E+03 E0= 0.64484982E+03 EK= 0.56805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331970519322E+03 0.43348E+00 -0.17723E-01 7812 0.245E+01 0.289E-01 RMM: 2 -0.331980995521E+03 -0.10476E-01 -0.88623E-02 5105 0.703E-01 0.769E-01 RMM: 3 -0.331977010635E+03 0.39849E-02 -0.92359E-03 5728 0.189E-01 0.199E-01 RMM: 4 -0.331977423855E+03 -0.41322E-03 -0.12527E-03 4738 0.901E-02 0.356E-01 RMM: 5 -0.331976584044E+03 0.83981E-03 -0.51744E-04 4511 0.601E-02 0.109E-01 RMM: 6 -0.331976581846E+03 0.21976E-05 -0.17755E-04 3876 0.345E-02 2662 T= 6571. E= 0.67121502E+03 F= 0.61685354E+03 E0= 0.64500105E+03 EK= 0.54361E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331455206038E+03 0.52138E+00 -0.17139E-01 7668 0.238E+01 0.413E-01 RMM: 2 -0.331481513579E+03 -0.26308E-01 -0.10226E-01 5083 0.756E-01 0.167E+00 RMM: 3 -0.331461842006E+03 0.19672E-01 -0.14500E-02 5364 0.281E-01 0.272E-01 RMM: 4 -0.331462330737E+03 -0.48873E-03 -0.23829E-03 5201 0.112E-01 0.398E-01 RMM: 5 -0.331461415884E+03 0.91485E-03 -0.67612E-04 4583 0.660E-02 0.200E-01 RMM: 6 -0.331461192188E+03 0.22370E-03 -0.25404E-04 3895 0.417E-02 0.973E-02 RMM: 7 -0.331461253915E+03 -0.61726E-04 -0.13537E-04 3868 0.319E-02 0.141E-01 RMM: 8 -0.331461118323E+03 0.13559E-03 -0.69182E-05 3501 0.248E-02 0.393E-02 RMM: 9 -0.331461115508E+03 0.28153E-05 -0.17323E-05 2547 0.120E-02 2663 T= 6235. E= 0.66866498E+03 F= 0.61708463E+03 E0= 0.64523944E+03 EK= 0.51580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330952188115E+03 0.50893E+00 -0.16270E-01 7560 0.232E+01 0.377E-01 RMM: 2 -0.330978537099E+03 -0.26349E-01 -0.10080E-01 5115 0.747E-01 0.168E+00 RMM: 3 -0.330958825003E+03 0.19712E-01 -0.13667E-02 5371 0.272E-01 0.286E-01 RMM: 4 -0.330958836182E+03 -0.11179E-04 -0.22513E-03 5097 0.109E-01 0.318E-01 RMM: 5 -0.330958435586E+03 0.40060E-03 -0.55561E-04 4568 0.626E-02 0.221E-01 RMM: 6 -0.330958102894E+03 0.33269E-03 -0.17809E-04 3876 0.354E-02 0.427E-02 RMM: 7 -0.330958147454E+03 -0.44560E-04 -0.69738E-05 3476 0.222E-02 0.967E-02 RMM: 8 -0.330958085120E+03 0.62335E-04 -0.35967E-05 3025 0.195E-02 0.240E-02 RMM: 9 -0.330958083267E+03 0.18522E-05 -0.73563E-06 2463 0.755E-03 2664 T= 5983. E= 0.66679642E+03 F= 0.61730102E+03 E0= 0.64546168E+03 EK= 0.49495E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330551586298E+03 0.40650E+00 -0.15601E-01 7752 0.228E+01 0.344E-01 RMM: 2 -0.330567759030E+03 -0.16173E-01 -0.97300E-02 5090 0.723E-01 0.115E+00 RMM: 3 -0.330558522883E+03 0.92361E-02 -0.11509E-02 5468 0.229E-01 0.251E-01 RMM: 4 -0.330558968816E+03 -0.44593E-03 -0.18421E-03 4940 0.103E-01 0.383E-01 RMM: 5 -0.330558058834E+03 0.90998E-03 -0.59208E-04 4552 0.636E-02 0.151E-01 RMM: 6 -0.330557934695E+03 0.12414E-03 -0.15949E-04 3880 0.325E-02 0.803E-02 RMM: 7 -0.330557963580E+03 -0.28885E-04 -0.87454E-05 3652 0.257E-02 0.111E-01 RMM: 8 -0.330557881991E+03 0.81589E-04 -0.44965E-05 3212 0.207E-02 0.309E-02 RMM: 9 -0.330557880598E+03 0.13930E-05 -0.11394E-05 2491 0.949E-03 2665 T= 5896. E= 0.66619191E+03 F= 0.61741500E+03 E0= 0.64557757E+03 EK= 0.48777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330314908272E+03 0.24297E+00 -0.15519E-01 7944 0.228E+01 0.286E-01 RMM: 2 -0.330326484384E+03 -0.11576E-01 -0.96151E-02 5080 0.713E-01 0.788E-01 RMM: 3 -0.330322108719E+03 0.43757E-02 -0.10138E-02 5704 0.197E-01 0.190E-01 RMM: 4 -0.330322555541E+03 -0.44682E-03 -0.12804E-03 4775 0.889E-02 0.356E-01 RMM: 5 -0.330321740143E+03 0.81540E-03 -0.48338E-04 4502 0.583E-02 0.122E-01 RMM: 6 -0.330321683920E+03 0.56223E-04 -0.14649E-04 3874 0.315E-02 0.878E-02 RMM: 7 -0.330321686824E+03 -0.29044E-05 -0.55426E-05 3357 0.220E-02 2666 T= 6003. E= 0.66702863E+03 F= 0.61736936E+03 E0= 0.64552756E+03 EK= 0.49659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330263671093E+03 0.58013E-01 -0.16245E-01 7656 0.232E+01 0.271E-01 RMM: 2 -0.330276170912E+03 -0.12500E-01 -0.11593E-01 5057 0.773E-01 0.643E-01 RMM: 3 -0.330273041362E+03 0.31296E-02 -0.12181E-02 5814 0.203E-01 0.209E-01 RMM: 4 -0.330273233819E+03 -0.19246E-03 -0.11973E-03 4839 0.879E-02 0.332E-01 RMM: 5 -0.330272471796E+03 0.76202E-03 -0.54548E-04 4534 0.622E-02 0.857E-02 RMM: 6 -0.330272576384E+03 -0.10459E-03 -0.17603E-04 3880 0.339E-02 0.155E-01 RMM: 7 -0.330272443317E+03 0.13307E-03 -0.78396E-05 3616 0.276E-02 0.773E-02 RMM: 8 -0.330272404954E+03 0.38363E-04 -0.24215E-05 2795 0.150E-02 0.285E-02 RMM: 9 -0.330272409802E+03 -0.48477E-05 -0.14644E-05 2506 0.108E-02 2667 T= 6279. E= 0.66908856E+03 F= 0.61714489E+03 E0= 0.64529026E+03 EK= 0.51944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330383747215E+03 -0.11134E+00 -0.16207E-01 8100 0.238E+01 0.214E-01 RMM: 2 -0.330395167308E+03 -0.11420E-01 -0.10198E-01 5107 0.737E-01 0.641E-01 RMM: 3 -0.330392123903E+03 0.30434E-02 -0.10332E-02 5958 0.187E-01 0.159E-01 RMM: 4 -0.330392040160E+03 0.83743E-04 -0.82601E-04 4677 0.738E-02 0.216E-01 RMM: 5 -0.330391748875E+03 0.29128E-03 -0.35667E-04 4352 0.528E-02 0.107E-01 RMM: 6 -0.330391751357E+03 -0.24817E-05 -0.14343E-04 3879 0.319E-02 2668 T= 6644. E= 0.67172353E+03 F= 0.61676191E+03 E0= 0.64488446E+03 EK= 0.54962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330615801817E+03 -0.22405E+00 -0.17483E-01 8040 0.244E+01 0.333E-01 RMM: 2 -0.330640754504E+03 -0.24953E-01 -0.12576E-01 5100 0.833E-01 0.147E+00 RMM: 3 -0.330625475679E+03 0.15279E-01 -0.15303E-02 5430 0.275E-01 0.258E-01 RMM: 4 -0.330625195100E+03 0.28058E-03 -0.15231E-03 4859 0.838E-02 0.214E-01 RMM: 5 -0.330625026519E+03 0.16858E-03 -0.75516E-04 4608 0.780E-02 0.192E-01 RMM: 6 -0.330624872024E+03 0.15450E-03 -0.33903E-04 3957 0.478E-02 0.124E-01 RMM: 7 -0.330624895069E+03 -0.23045E-04 -0.15478E-04 3883 0.373E-02 0.144E-01 RMM: 8 -0.330624758874E+03 0.13619E-03 -0.77886E-05 3594 0.262E-02 0.426E-02 RMM: 9 -0.330624756513E+03 0.23615E-05 -0.19049E-05 2555 0.131E-02 2669 T= 6965. E= 0.67389511E+03 F= 0.61627502E+03 E0= 0.64436555E+03 EK= 0.57620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330888404314E+03 -0.26365E+00 -0.17192E-01 7752 0.248E+01 0.308E-01 RMM: 2 -0.330915905577E+03 -0.27501E-01 -0.12180E-01 5053 0.825E-01 0.158E+00 RMM: 3 -0.330898008130E+03 0.17897E-01 -0.15225E-02 5455 0.276E-01 0.248E-01 RMM: 4 -0.330897641376E+03 0.36675E-03 -0.14960E-03 4839 0.825E-02 0.164E-01 RMM: 5 -0.330897592767E+03 0.48609E-04 -0.40902E-04 4463 0.559E-02 0.166E-01 RMM: 6 -0.330897425893E+03 0.16687E-03 -0.18544E-04 3876 0.370E-02 0.704E-02 RMM: 7 -0.330897493906E+03 -0.68013E-04 -0.91089E-05 3663 0.266E-02 0.126E-01 RMM: 8 -0.330897386225E+03 0.10768E-03 -0.45583E-05 3212 0.212E-02 0.253E-02 RMM: 9 -0.330897383777E+03 0.24478E-05 -0.84587E-06 2480 0.834E-03 2670 T= 7104. E= 0.67452310E+03 F= 0.61575561E+03 E0= 0.64380648E+03 EK= 0.58767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331135326868E+03 -0.23794E+00 -0.17182E-01 8064 0.249E+01 0.255E-01 RMM: 2 -0.331149616790E+03 -0.14290E-01 -0.11203E-01 5082 0.778E-01 0.854E-01 RMM: 3 -0.331144402895E+03 0.52139E-02 -0.11653E-02 5734 0.214E-01 0.213E-01 RMM: 4 -0.331144224902E+03 0.17799E-03 -0.99213E-04 4718 0.765E-02 0.219E-01 RMM: 5 -0.331143916819E+03 0.30808E-03 -0.55696E-04 4602 0.672E-02 0.117E-01 RMM: 6 -0.331143943687E+03 -0.26868E-04 -0.19599E-04 3886 0.360E-02 0.135E-01 RMM: 7 -0.331143870938E+03 0.72749E-04 -0.94296E-05 3772 0.302E-02 0.961E-02 RMM: 8 -0.331143809326E+03 0.61613E-04 -0.31759E-05 3003 0.174E-02 0.314E-02 RMM: 9 -0.331143808516E+03 0.80913E-06 -0.12298E-05 2486 0.101E-02 2671 T= 6992. E= 0.67310536E+03 F= 0.61526560E+03 E0= 0.64327198E+03 EK= 0.57840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331320888581E+03 -0.17708E+00 -0.16718E-01 7860 0.245E+01 0.256E-01 RMM: 2 -0.331335069930E+03 -0.14181E-01 -0.11446E-01 4917 0.796E-01 0.822E-01 RMM: 3 -0.331330173763E+03 0.48962E-02 -0.12851E-02 5857 0.220E-01 0.169E-01 RMM: 4 -0.331330251575E+03 -0.77813E-04 -0.10930E-03 4807 0.828E-02 0.267E-01 RMM: 5 -0.331329797219E+03 0.45436E-03 -0.40770E-04 4465 0.547E-02 0.111E-01 RMM: 6 -0.331329771309E+03 0.25910E-04 -0.13766E-04 3867 0.311E-02 0.961E-02 RMM: 7 -0.331329756932E+03 0.14377E-04 -0.60548E-05 3440 0.238E-02 2672 T= 6678. E= 0.67008325E+03 F= 0.61483547E+03 E0= 0.64279671E+03 EK= 0.55248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331448065325E+03 -0.11829E+00 -0.16120E-01 7848 0.239E+01 0.285E-01 RMM: 2 -0.331458607320E+03 -0.10542E-01 -0.10461E-01 5012 0.759E-01 0.573E-01 RMM: 3 -0.331456298104E+03 0.23092E-02 -0.11305E-02 5873 0.204E-01 0.222E-01 RMM: 4 -0.331456694897E+03 -0.39679E-03 -0.11932E-03 4850 0.875E-02 0.372E-01 RMM: 5 -0.331455745879E+03 0.94902E-03 -0.53222E-04 4530 0.606E-02 0.896E-02 RMM: 6 -0.331455790576E+03 -0.44697E-04 -0.16721E-04 3872 0.336E-02 0.126E-01 RMM: 7 -0.331455706651E+03 0.83925E-04 -0.69203E-05 3547 0.260E-02 0.737E-02 RMM: 8 -0.331455671459E+03 0.35193E-04 -0.21378E-05 2643 0.141E-02 0.293E-02 RMM: 9 -0.331455676391E+03 -0.49321E-05 -0.14919E-05 2501 0.111E-02 2673 T= 6296. E= 0.66654726E+03 F= 0.61446237E+03 E0= 0.64238017E+03 EK= 0.52085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331535296712E+03 -0.79625E-01 -0.15825E-01 7752 0.233E+01 0.255E-01 RMM: 2 -0.331547859050E+03 -0.12562E-01 -0.11323E-01 4816 0.802E-01 0.678E-01 RMM: 3 -0.331544463872E+03 0.33952E-02 -0.13245E-02 5905 0.218E-01 0.158E-01 RMM: 4 -0.331544712379E+03 -0.24851E-03 -0.11221E-03 4838 0.832E-02 0.306E-01 RMM: 5 -0.331544113109E+03 0.59927E-03 -0.36644E-04 4295 0.510E-02 0.103E-01 RMM: 6 -0.331544052796E+03 0.60314E-04 -0.92746E-05 3636 0.265E-02 0.510E-02 RMM: 7 -0.331544073073E+03 -0.20277E-04 -0.31544E-05 2850 0.173E-02 0.783E-02 RMM: 8 -0.331544030660E+03 0.42413E-04 -0.19706E-05 2563 0.151E-02 0.151E-02 RMM: 9 -0.331544030882E+03 -0.22187E-06 -0.54100E-06 2444 0.655E-03 2674 T= 5981. E= 0.66360665E+03 F= 0.61412371E+03 E0= 0.64200249E+03 EK= 0.49483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331611569106E+03 -0.67538E-01 -0.14338E-01 7812 0.230E+01 0.272E-01 RMM: 2 -0.331620324133E+03 -0.87550E-02 -0.82304E-02 5033 0.677E-01 0.614E-01 RMM: 3 -0.331617780967E+03 0.25432E-02 -0.88540E-03 5848 0.177E-01 0.190E-01 RMM: 4 -0.331618183409E+03 -0.40244E-03 -0.11218E-03 4736 0.855E-02 0.348E-01 RMM: 5 -0.331617361873E+03 0.82154E-03 -0.48213E-04 4411 0.582E-02 0.910E-02 RMM: 6 -0.331617356887E+03 0.49860E-05 -0.12029E-04 3844 0.294E-02 2675 T= 5826. E= 0.66199369E+03 F= 0.61379921E+03 E0= 0.64164497E+03 EK= 0.48194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331677462440E+03 -0.60101E-01 -0.13846E-01 7680 0.229E+01 0.348E-01 RMM: 2 -0.331699568703E+03 -0.22106E-01 -0.77955E-02 5046 0.682E-01 0.155E+00 RMM: 3 -0.331682753818E+03 0.16815E-01 -0.11548E-02 5355 0.255E-01 0.280E-01 RMM: 4 -0.331682505992E+03 0.24783E-03 -0.15964E-03 4786 0.875E-02 0.226E-01 RMM: 5 -0.331682357725E+03 0.14827E-03 -0.58070E-04 4598 0.644E-02 0.197E-01 RMM: 6 -0.331682121506E+03 0.23622E-03 -0.21814E-04 3884 0.390E-02 0.831E-02 RMM: 7 -0.331682167799E+03 -0.46294E-04 -0.10787E-04 3768 0.291E-02 0.121E-01 RMM: 8 -0.331682068386E+03 0.99413E-04 -0.57677E-05 3424 0.238E-02 0.414E-02 RMM: 9 -0.331682061061E+03 0.73251E-05 -0.13283E-05 2515 0.110E-02 2676 T= 5865. E= 0.66200494E+03 F= 0.61348630E+03 E0= 0.64130237E+03 EK= 0.48519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331715044411E+03 -0.32976E-01 -0.14036E-01 7860 0.233E+01 0.309E-01 RMM: 2 -0.331736454627E+03 -0.21410E-01 -0.62991E-02 5116 0.609E-01 0.156E+00 RMM: 3 -0.331719336928E+03 0.17118E-01 -0.97113E-03 5348 0.238E-01 0.266E-01 RMM: 4 -0.331718959120E+03 0.37781E-03 -0.13974E-03 4672 0.831E-02 0.166E-01 RMM: 5 -0.331718983548E+03 -0.24428E-04 -0.38061E-04 4444 0.535E-02 0.190E-01 RMM: 6 -0.331718744237E+03 0.23931E-03 -0.14287E-04 3868 0.330E-02 0.469E-02 RMM: 7 -0.331718776114E+03 -0.31877E-04 -0.60249E-05 3392 0.223E-02 0.868E-02 RMM: 8 -0.331718727130E+03 0.48984E-04 -0.25563E-05 2861 0.171E-02 0.245E-02 RMM: 9 -0.331718723468E+03 0.36615E-05 -0.48240E-06 2450 0.637E-03 2677 T= 6086. E= 0.66355510E+03 F= 0.61320840E+03 E0= 0.64100185E+03 EK= 0.50347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331672185015E+03 0.46542E-01 -0.14585E-01 8208 0.238E+01 0.238E-01 RMM: 2 -0.331683378702E+03 -0.11194E-01 -0.62851E-02 5130 0.615E-01 0.976E-01 RMM: 3 -0.331676931009E+03 0.64477E-02 -0.69806E-03 5436 0.180E-01 0.189E-01 RMM: 4 -0.331676815470E+03 0.11554E-03 -0.78767E-04 4615 0.650E-02 0.177E-01 RMM: 5 -0.331676644228E+03 0.17124E-03 -0.49635E-04 4559 0.649E-02 0.121E-01 RMM: 6 -0.331676623602E+03 0.20625E-04 -0.14935E-04 3869 0.315E-02 0.111E-01 RMM: 7 -0.331676561148E+03 0.62454E-04 -0.80349E-05 3754 0.288E-02 0.679E-02 RMM: 8 -0.331676531543E+03 0.29605E-04 -0.18882E-05 2685 0.139E-02 0.272E-02 RMM: 9 -0.331676532300E+03 -0.75637E-06 -0.85735E-06 2473 0.862E-03 2678 T= 6425. E= 0.66617505E+03 F= 0.61301919E+03 E0= 0.64079519E+03 EK= 0.53156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331481753155E+03 0.19478E+00 -0.15537E-01 8280 0.245E+01 0.186E-01 RMM: 2 -0.331489520122E+03 -0.77670E-02 -0.66112E-02 5063 0.632E-01 0.599E-01 RMM: 3 -0.331487166620E+03 0.23535E-02 -0.71346E-03 5746 0.160E-01 0.144E-01 RMM: 4 -0.331487028733E+03 0.13789E-03 -0.51598E-04 4553 0.571E-02 0.149E-01 RMM: 5 -0.331486876032E+03 0.15270E-03 -0.31945E-04 4355 0.524E-02 0.811E-02 RMM: 6 -0.331486948845E+03 -0.72813E-04 -0.15406E-04 3874 0.327E-02 0.133E-01 RMM: 7 -0.331486846384E+03 0.10246E-03 -0.61449E-05 3456 0.250E-02 0.621E-02 RMM: 8 -0.331486820553E+03 0.25830E-04 -0.14311E-05 2532 0.115E-02 0.223E-02 RMM: 9 -0.331486820103E+03 0.45034E-06 -0.92205E-06 2460 0.894E-03 2679 T= 6770. E= 0.66899763E+03 F= 0.61298821E+03 E0= 0.64075289E+03 EK= 0.56009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331077761388E+03 0.40906E+00 -0.17394E-01 7980 0.250E+01 0.176E-01 RMM: 2 -0.331087223471E+03 -0.94621E-02 -0.85507E-02 4895 0.716E-01 0.552E-01 RMM: 3 -0.331085112239E+03 0.21112E-02 -0.93574E-03 5836 0.174E-01 0.146E-01 RMM: 4 -0.331084921520E+03 0.19072E-03 -0.61407E-04 4621 0.664E-02 0.145E-01 RMM: 5 -0.331084771810E+03 0.14971E-03 -0.33213E-04 4417 0.537E-02 0.808E-02 RMM: 6 -0.331084886419E+03 -0.11461E-03 -0.14374E-04 3877 0.314E-02 0.153E-01 RMM: 7 -0.331084744369E+03 0.14205E-03 -0.64864E-05 3486 0.252E-02 0.628E-02 RMM: 8 -0.331084718053E+03 0.26316E-04 -0.18973E-05 2576 0.133E-02 0.238E-02 RMM: 9 -0.331084718102E+03 -0.49064E-07 -0.10366E-05 2463 0.950E-03 2680 T= 6984. E= 0.67095587E+03 F= 0.61317913E+03 E0= 0.64093702E+03 EK= 0.57777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330432665897E+03 0.65205E+00 -0.17987E-01 7884 0.252E+01 0.187E-01 RMM: 2 -0.330442043151E+03 -0.93773E-02 -0.84363E-02 4841 0.705E-01 0.562E-01 RMM: 3 -0.330439856845E+03 0.21863E-02 -0.95835E-03 5819 0.179E-01 0.132E-01 RMM: 4 -0.330439772100E+03 0.84745E-04 -0.67943E-04 4652 0.693E-02 0.180E-01 RMM: 5 -0.330439558373E+03 0.21373E-03 -0.29612E-04 4208 0.493E-02 0.795E-02 RMM: 6 -0.330439626904E+03 -0.68530E-04 -0.12560E-04 3858 0.302E-02 0.128E-01 RMM: 7 -0.330439528343E+03 0.98560E-04 -0.52769E-05 3361 0.232E-02 0.579E-02 RMM: 8 -0.330439505923E+03 0.22420E-04 -0.15481E-05 2538 0.123E-02 0.213E-02 RMM: 9 -0.330439506982E+03 -0.10586E-05 -0.85704E-06 2457 0.858E-03 2681 T= 6971. E= 0.67128886E+03 F= 0.61362008E+03 E0= 0.64137594E+03 EK= 0.57669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329569695005E+03 0.86981E+00 -0.17610E-01 8028 0.249E+01 0.205E-01 RMM: 2 -0.329577417989E+03 -0.77230E-02 -0.67276E-02 4904 0.625E-01 0.580E-01 RMM: 3 -0.329575065640E+03 0.23523E-02 -0.75181E-03 5692 0.169E-01 0.147E-01 RMM: 4 -0.329575140413E+03 -0.74773E-04 -0.71327E-04 4630 0.685E-02 0.223E-01 RMM: 5 -0.329574819557E+03 0.32086E-03 -0.27771E-04 4022 0.457E-02 0.907E-02 RMM: 6 -0.329574808584E+03 0.10973E-04 -0.10118E-04 3723 0.282E-02 2682 T= 6739. E= 0.67003103E+03 F= 0.61428457E+03 E0= 0.64204189E+03 EK= 0.55746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328558895098E+03 0.10159E+01 -0.16878E-01 7584 0.243E+01 0.333E-01 RMM: 2 -0.328578386864E+03 -0.19492E-01 -0.72082E-02 5082 0.654E-01 0.145E+00 RMM: 3 -0.328563837295E+03 0.14550E-01 -0.10952E-02 5350 0.246E-01 0.251E-01 RMM: 4 -0.328563737403E+03 0.99892E-04 -0.14761E-03 4773 0.846E-02 0.236E-01 RMM: 5 -0.328563515202E+03 0.22220E-03 -0.36918E-04 4113 0.484E-02 0.182E-01 RMM: 6 -0.328563306955E+03 0.20825E-03 -0.18596E-04 3886 0.382E-02 0.720E-02 RMM: 7 -0.328563347643E+03 -0.40688E-04 -0.86701E-05 3648 0.252E-02 0.108E-01 RMM: 8 -0.328563270600E+03 0.77043E-04 -0.42932E-05 3151 0.209E-02 0.444E-02 RMM: 9 -0.328563258779E+03 0.11821E-04 -0.14090E-05 2509 0.113E-02 2683 T= 6392. E= 0.66797923E+03 F= 0.61509798E+03 E0= 0.64285813E+03 EK= 0.52881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327497495906E+03 0.10658E+01 -0.15870E-01 7704 0.236E+01 0.298E-01 RMM: 2 -0.327514603192E+03 -0.17107E-01 -0.60601E-02 5207 0.597E-01 0.136E+00 RMM: 3 -0.327501444714E+03 0.13158E-01 -0.82474E-03 5352 0.218E-01 0.256E-01 RMM: 4 -0.327501245261E+03 0.19945E-03 -0.14074E-03 4694 0.867E-02 0.216E-01 RMM: 5 -0.327501093086E+03 0.15218E-03 -0.32596E-04 4041 0.493E-02 0.168E-01 RMM: 6 -0.327500895919E+03 0.19717E-03 -0.98552E-05 3664 0.290E-02 0.374E-02 RMM: 7 -0.327500918227E+03 -0.22308E-04 -0.39549E-05 3027 0.178E-02 0.715E-02 RMM: 8 -0.327500885274E+03 0.32953E-04 -0.25221E-05 2589 0.171E-02 0.254E-02 RMM: 9 -0.327500881958E+03 0.33160E-05 -0.72201E-06 2454 0.801E-03 2684 T= 6070. E= 0.66617911E+03 F= 0.61596389E+03 E0= 0.64372877E+03 EK= 0.50215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326472292396E+03 0.10286E+01 -0.15460E-01 7680 0.231E+01 0.283E-01 RMM: 2 -0.326484825954E+03 -0.12534E-01 -0.67826E-02 5164 0.631E-01 0.106E+00 RMM: 3 -0.326476926169E+03 0.78998E-02 -0.78969E-03 5421 0.196E-01 0.174E-01 RMM: 4 -0.326477193360E+03 -0.26719E-03 -0.12116E-03 4658 0.821E-02 0.281E-01 RMM: 5 -0.326476703823E+03 0.48954E-03 -0.31301E-04 3895 0.444E-02 0.119E-01 RMM: 6 -0.326476621103E+03 0.82720E-04 -0.84855E-05 3609 0.260E-02 0.554E-02 RMM: 7 -0.326476644796E+03 -0.23693E-04 -0.55742E-05 3316 0.209E-02 0.870E-02 RMM: 8 -0.326476592158E+03 0.52638E-04 -0.32299E-05 2951 0.186E-02 0.207E-02 RMM: 9 -0.326476593840E+03 -0.16824E-05 -0.98890E-06 2468 0.890E-03 2685 T= 5881. E= 0.66544530E+03 F= 0.61679478E+03 E0= 0.64456500E+03 EK= 0.48651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325545416855E+03 0.93118E+00 -0.14676E-01 7968 0.229E+01 0.244E-01 RMM: 2 -0.325553942589E+03 -0.85257E-02 -0.60364E-02 5168 0.600E-01 0.794E-01 RMM: 3 -0.325549699314E+03 0.42433E-02 -0.66344E-03 5519 0.172E-01 0.166E-01 RMM: 4 -0.325549846422E+03 -0.14711E-03 -0.86449E-04 4619 0.703E-02 0.242E-01 RMM: 5 -0.325549480888E+03 0.36553E-03 -0.25103E-04 3895 0.409E-02 0.110E-01 RMM: 6 -0.325549406351E+03 0.74536E-04 -0.81315E-05 3551 0.261E-02 0.475E-02 RMM: 7 -0.325549434013E+03 -0.27662E-04 -0.41654E-05 3071 0.187E-02 0.847E-02 RMM: 8 -0.325549385918E+03 0.48096E-04 -0.23116E-05 2636 0.162E-02 0.222E-02 RMM: 9 -0.325549384321E+03 0.15970E-05 -0.73097E-06 2455 0.760E-03 2686 T= 5882. E= 0.66619248E+03 F= 0.61753428E+03 E0= 0.64531005E+03 EK= 0.48658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324735864743E+03 0.81352E+00 -0.15113E-01 7992 0.230E+01 0.215E-01 RMM: 2 -0.324744789270E+03 -0.89245E-02 -0.69634E-02 5073 0.632E-01 0.711E-01 RMM: 3 -0.324741309022E+03 0.34802E-02 -0.76380E-03 5736 0.168E-01 0.151E-01 RMM: 4 -0.324741290949E+03 0.18073E-04 -0.74952E-04 4633 0.676E-02 0.195E-01 RMM: 5 -0.324741048743E+03 0.24221E-03 -0.20787E-04 3883 0.369E-02 0.987E-02 RMM: 6 -0.324741003952E+03 0.44791E-04 -0.75886E-05 3529 0.250E-02 0.620E-02 RMM: 7 -0.324741022070E+03 -0.18118E-04 -0.48232E-05 3205 0.198E-02 2687 T= 6078. E= 0.66844141E+03 F= 0.61816343E+03 E0= 0.64594394E+03 EK= 0.50278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324031627991E+03 0.70938E+00 -0.15591E-01 8244 0.235E+01 0.215E-01 RMM: 2 -0.324041282474E+03 -0.96545E-02 -0.70328E-02 5082 0.649E-01 0.787E-01 RMM: 3 -0.324037174196E+03 0.41083E-02 -0.78805E-03 5721 0.177E-01 0.183E-01 RMM: 4 -0.324036965934E+03 0.20826E-03 -0.68003E-04 4615 0.620E-02 0.149E-01 RMM: 5 -0.324036820570E+03 0.14536E-03 -0.20471E-04 3881 0.387E-02 0.894E-02 RMM: 6 -0.324036810250E+03 0.10320E-04 -0.86529E-05 3611 0.262E-02 2688 T= 6419. E= 0.67180150E+03 F= 0.61869888E+03 E0= 0.64648299E+03 EK= 0.53103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323385426228E+03 0.65139E+00 -0.17026E-01 7800 0.241E+01 0.324E-01 RMM: 2 -0.323409414091E+03 -0.23988E-01 -0.97013E-02 5030 0.764E-01 0.154E+00 RMM: 3 -0.323392843619E+03 0.16570E-01 -0.14313E-02 5384 0.281E-01 0.298E-01 RMM: 4 -0.323392234384E+03 0.60924E-03 -0.14902E-03 4748 0.778E-02 0.120E-01 RMM: 5 -0.323392191837E+03 0.42547E-04 -0.27197E-04 3939 0.444E-02 0.125E-01 RMM: 6 -0.323392097186E+03 0.94651E-04 -0.13128E-04 3874 0.324E-02 0.677E-02 RMM: 7 -0.323392148487E+03 -0.51301E-04 -0.84168E-05 3672 0.255E-02 0.111E-01 RMM: 8 -0.323392065324E+03 0.83163E-04 -0.41376E-05 3129 0.203E-02 0.443E-02 RMM: 9 -0.323392053633E+03 0.11690E-04 -0.13075E-05 2506 0.107E-02 2689 T= 6798. E= 0.67542316E+03 F= 0.61918575E+03 E0= 0.64697130E+03 EK= 0.56237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322740040877E+03 0.65202E+00 -0.17854E-01 8160 0.246E+01 0.318E-01 RMM: 2 -0.322765395729E+03 -0.25355E-01 -0.89821E-02 5121 0.746E-01 0.163E+00 RMM: 3 -0.322746965770E+03 0.18430E-01 -0.13133E-02 5374 0.274E-01 0.343E-01 RMM: 4 -0.322746110619E+03 0.85515E-03 -0.16191E-03 4774 0.867E-02 0.104E-01 RMM: 5 -0.322746096143E+03 0.14476E-04 -0.26304E-04 3911 0.431E-02 0.124E-01 RMM: 6 -0.322745995799E+03 0.10034E-03 -0.90757E-05 3775 0.273E-02 0.484E-02 RMM: 7 -0.322746034894E+03 -0.39094E-04 -0.60235E-05 3364 0.207E-02 0.970E-02 RMM: 8 -0.322745972138E+03 0.62755E-04 -0.38237E-05 3017 0.205E-02 0.251E-02 RMM: 9 -0.322745968611E+03 0.35269E-05 -0.73787E-06 2458 0.766E-03 2690 T= 7066. E= 0.67813457E+03 F= 0.61968368E+03 E0= 0.64746839E+03 EK= 0.58451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322036702436E+03 0.70927E+00 -0.18470E-01 8160 0.249E+01 0.235E-01 RMM: 2 -0.322052196960E+03 -0.15495E-01 -0.94709E-02 5087 0.744E-01 0.108E+00 RMM: 3 -0.322044384007E+03 0.78130E-02 -0.10827E-02 5631 0.215E-01 0.205E-01 RMM: 4 -0.322044050412E+03 0.33359E-03 -0.86016E-04 4664 0.641E-02 0.118E-01 RMM: 5 -0.322043961168E+03 0.89245E-04 -0.18641E-04 3893 0.381E-02 0.883E-02 RMM: 6 -0.322043939190E+03 0.21977E-04 -0.76944E-05 3573 0.243E-02 0.763E-02 RMM: 7 -0.322043940084E+03 -0.89319E-06 -0.57330E-05 3350 0.217E-02 2691 T= 7098. E= 0.67896090E+03 F= 0.62024506E+03 E0= 0.64802741E+03 EK= 0.58716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321254830702E+03 0.78911E+00 -0.18026E-01 8160 0.247E+01 0.206E-01 RMM: 2 -0.321265335009E+03 -0.10504E-01 -0.81114E-02 5110 0.688E-01 0.760E-01 RMM: 3 -0.321261346046E+03 0.39890E-02 -0.87369E-03 5823 0.182E-01 0.149E-01 RMM: 4 -0.321261219752E+03 0.12629E-03 -0.62599E-04 4621 0.604E-02 0.163E-01 RMM: 5 -0.321261043410E+03 0.17634E-03 -0.18054E-04 3888 0.361E-02 0.828E-02 RMM: 6 -0.321261034367E+03 0.90437E-05 -0.81817E-05 3591 0.254E-02 2692 T= 6874. E= 0.67775940E+03 F= 0.62089241E+03 E0= 0.64867343E+03 EK= 0.56867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320399508534E+03 0.86153E+00 -0.17792E-01 7884 0.241E+01 0.301E-01 RMM: 2 -0.320424153510E+03 -0.24645E-01 -0.10128E-01 4899 0.763E-01 0.154E+00 RMM: 3 -0.320407310700E+03 0.16843E-01 -0.13952E-02 5405 0.273E-01 0.251E-01 RMM: 4 -0.320406928546E+03 0.38215E-03 -0.14131E-03 4816 0.765E-02 0.130E-01 RMM: 5 -0.320406891135E+03 0.37411E-04 -0.22328E-04 3890 0.380E-02 0.129E-01 RMM: 6 -0.320406784422E+03 0.10671E-03 -0.90144E-05 3598 0.268E-02 0.515E-02 RMM: 7 -0.320406808190E+03 -0.23768E-04 -0.50099E-05 3197 0.205E-02 0.816E-02 RMM: 8 -0.320406762327E+03 0.45864E-04 -0.31921E-05 2831 0.178E-02 0.320E-02 RMM: 9 -0.320406756616E+03 0.57105E-05 -0.10495E-05 2472 0.975E-03 2693 T= 6494. E= 0.67533621E+03 F= 0.62161447E+03 E0= 0.64939599E+03 EK= 0.53722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319506750051E+03 0.90001E+00 -0.16993E-01 7728 0.235E+01 0.318E-01 RMM: 2 -0.319534699133E+03 -0.27949E-01 -0.99409E-02 4894 0.761E-01 0.169E+00 RMM: 3 -0.319514445919E+03 0.20253E-01 -0.14398E-02 5397 0.278E-01 0.279E-01 RMM: 4 -0.319513977122E+03 0.46880E-03 -0.17239E-03 4923 0.879E-02 0.150E-01 RMM: 5 -0.319513975012E+03 0.21100E-05 -0.27068E-04 3899 0.405E-02 0.156E-01 RMM: 6 -0.319513806038E+03 0.16897E-03 -0.94249E-05 3634 0.282E-02 0.361E-02 RMM: 7 -0.319513812238E+03 -0.62004E-05 -0.28375E-05 2739 0.154E-02 2694 T= 6108. E= 0.67290650E+03 F= 0.62237801E+03 E0= 0.65016389E+03 EK= 0.50528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318604895541E+03 0.90891E+00 -0.16699E-01 7656 0.230E+01 0.226E-01 RMM: 2 -0.318618628118E+03 -0.13733E-01 -0.92977E-02 5004 0.708E-01 0.925E-01 RMM: 3 -0.318612371764E+03 0.62564E-02 -0.10540E-02 5627 0.206E-01 0.176E-01 RMM: 4 -0.318612248173E+03 0.12359E-03 -0.91567E-04 4683 0.693E-02 0.174E-01 RMM: 5 -0.318612081319E+03 0.16685E-03 -0.17668E-04 3886 0.328E-02 0.101E-01 RMM: 6 -0.318612019579E+03 0.61740E-04 -0.59107E-05 3339 0.223E-02 0.472E-02 RMM: 7 -0.318612049579E+03 -0.30000E-04 -0.45620E-05 3110 0.194E-02 0.858E-02 RMM: 8 -0.318611999992E+03 0.49587E-04 -0.32517E-05 2814 0.180E-02 0.241E-02 RMM: 9 -0.318611998015E+03 0.19776E-05 -0.91992E-06 2458 0.883E-03 2695 T= 5842. E= 0.67148492E+03 F= 0.62315409E+03 E0= 0.65094885E+03 EK= 0.48331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317706100184E+03 0.90590E+00 -0.16654E-01 7740 0.228E+01 0.186E-01 RMM: 2 -0.317716778036E+03 -0.10678E-01 -0.87318E-02 4848 0.694E-01 0.680E-01 RMM: 3 -0.317713374156E+03 0.34039E-02 -0.10047E-02 5870 0.187E-01 0.124E-01 RMM: 4 -0.317713353514E+03 0.20642E-04 -0.66159E-04 4648 0.628E-02 0.192E-01 RMM: 5 -0.317713113250E+03 0.24026E-03 -0.16108E-04 3861 0.338E-02 0.725E-02 RMM: 6 -0.317713081458E+03 0.31792E-04 -0.38406E-05 3023 0.188E-02 0.370E-02 RMM: 7 -0.317713093879E+03 -0.12421E-04 -0.30090E-05 2617 0.165E-02 2696 T= 5767. E= 0.67164501E+03 F= 0.62393276E+03 E0= 0.65174074E+03 EK= 0.47712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316792026996E+03 0.92105E+00 -0.16682E-01 7884 0.229E+01 0.172E-01 RMM: 2 -0.316801013851E+03 -0.89869E-02 -0.78852E-02 4974 0.664E-01 0.575E-01 RMM: 3 -0.316798675374E+03 0.23385E-02 -0.90257E-03 5974 0.174E-01 0.128E-01 RMM: 4 -0.316798536979E+03 0.13839E-03 -0.52180E-04 4479 0.552E-02 0.138E-01 RMM: 5 -0.316798398974E+03 0.13801E-03 -0.11200E-04 3784 0.290E-02 0.549E-02 RMM: 6 -0.316798404296E+03 -0.53220E-05 -0.39889E-05 3031 0.183E-02 2697 T= 5901. E= 0.67354915E+03 F= 0.62473485E+03 E0= 0.65255989E+03 EK= 0.48814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315813541455E+03 0.98486E+00 -0.18161E-01 7920 0.235E+01 0.237E-01 RMM: 2 -0.315829311381E+03 -0.15770E-01 -0.83924E-02 5015 0.691E-01 0.113E+00 RMM: 3 -0.315820280532E+03 0.90308E-02 -0.10374E-02 5455 0.221E-01 0.202E-01 RMM: 4 -0.315819984500E+03 0.29603E-03 -0.90979E-04 4682 0.626E-02 0.992E-02 RMM: 5 -0.315819950286E+03 0.34215E-04 -0.14630E-04 3873 0.323E-02 0.934E-02 RMM: 6 -0.315819896479E+03 0.53807E-04 -0.54836E-05 3265 0.217E-02 0.468E-02 RMM: 7 -0.315819924616E+03 -0.28138E-04 -0.44228E-05 3092 0.194E-02 0.831E-02 RMM: 8 -0.315819877661E+03 0.46956E-04 -0.28945E-05 2719 0.173E-02 0.298E-02 RMM: 9 -0.315819873163E+03 0.44981E-05 -0.10236E-05 2465 0.922E-03 2698 T= 6209. E= 0.67697174E+03 F= 0.62560998E+03 E0= 0.65345473E+03 EK= 0.51362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314699329461E+03 0.11205E+01 -0.19420E-01 7776 0.242E+01 0.232E-01 RMM: 2 -0.314716193609E+03 -0.16864E-01 -0.92679E-02 4958 0.738E-01 0.115E+00 RMM: 3 -0.314706949838E+03 0.92438E-02 -0.11121E-02 5446 0.229E-01 0.224E-01 RMM: 4 -0.314706586316E+03 0.36352E-03 -0.10332E-03 4718 0.693E-02 0.992E-02 RMM: 5 -0.314706544087E+03 0.42228E-04 -0.16049E-04 3873 0.342E-02 0.876E-02 RMM: 6 -0.314706493228E+03 0.50860E-04 -0.44340E-05 3066 0.198E-02 0.388E-02 RMM: 7 -0.314706503952E+03 -0.10724E-04 -0.34669E-05 2764 0.178E-02 2699 T= 6602. E= 0.68124469E+03 F= 0.62662971E+03 E0= 0.65449647E+03 EK= 0.54615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313377949025E+03 0.13285E+01 -0.20535E-01 7776 0.249E+01 0.176E-01 RMM: 2 -0.313389957112E+03 -0.12008E-01 -0.92379E-02 5007 0.731E-01 0.762E-01 RMM: 3 -0.313385938104E+03 0.40190E-02 -0.10510E-02 5821 0.195E-01 0.161E-01 RMM: 4 -0.313385645222E+03 0.29288E-03 -0.54646E-04 4656 0.541E-02 0.925E-02 RMM: 5 -0.313385580742E+03 0.64480E-04 -0.10780E-04 3856 0.295E-02 0.680E-02 RMM: 6 -0.313385579519E+03 0.12229E-05 -0.49137E-05 3176 0.200E-02 2700 T= 6939. E= 0.68527173E+03 F= 0.62786623E+03 E0= 0.65575653E+03 EK= 0.57405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311809247041E+03 0.15763E+01 -0.21354E-01 7704 0.254E+01 0.282E-01 RMM: 2 -0.311834214335E+03 -0.24967E-01 -0.10580E-01 4971 0.798E-01 0.153E+00 RMM: 3 -0.311817642959E+03 0.16571E-01 -0.13622E-02 5398 0.267E-01 0.235E-01 RMM: 4 -0.311817266307E+03 0.37665E-03 -0.12936E-03 4776 0.730E-02 0.103E-01 RMM: 5 -0.311817222631E+03 0.43676E-04 -0.16930E-04 3876 0.346E-02 0.969E-02 RMM: 6 -0.311817166330E+03 0.56300E-04 -0.57856E-05 3288 0.222E-02 0.522E-02 RMM: 7 -0.311817195332E+03 -0.29002E-04 -0.55190E-05 3317 0.216E-02 0.887E-02 RMM: 8 -0.311817139266E+03 0.56066E-04 -0.34667E-05 2863 0.177E-02 0.333E-02 RMM: 9 -0.311817134770E+03 0.44956E-05 -0.15571E-05 2485 0.116E-02 2701 T= 7075. E= 0.68788985E+03 F= 0.62935828E+03 E0= 0.65727394E+03 EK= 0.58532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310019969888E+03 0.17972E+01 -0.21179E-01 7764 0.254E+01 0.252E-01 RMM: 2 -0.310040599650E+03 -0.20630E-01 -0.11824E-01 4866 0.830E-01 0.122E+00 RMM: 3 -0.310029971871E+03 0.10628E-01 -0.14360E-02 5463 0.260E-01 0.261E-01 RMM: 4 -0.310029495446E+03 0.47642E-03 -0.13835E-03 4896 0.826E-02 0.117E-01 RMM: 5 -0.310029448439E+03 0.47008E-04 -0.20270E-04 3897 0.358E-02 0.108E-01 RMM: 6 -0.310029369672E+03 0.78766E-04 -0.52675E-05 3224 0.216E-02 0.353E-02 RMM: 7 -0.310029380089E+03 -0.10417E-04 -0.30843E-05 2647 0.166E-02 2702 T= 6946. E= 0.68853650E+03 F= 0.63107624E+03 E0= 0.65901746E+03 EK= 0.57460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308111249203E+03 0.19181E+01 -0.20963E-01 7548 0.249E+01 0.237E-01 RMM: 2 -0.308131348680E+03 -0.20099E-01 -0.12370E-01 4898 0.847E-01 0.117E+00 RMM: 3 -0.308121647462E+03 0.97012E-02 -0.14785E-02 5701 0.247E-01 0.181E-01 RMM: 4 -0.308121370496E+03 0.27697E-03 -0.10120E-03 4774 0.716E-02 0.134E-01 RMM: 5 -0.308121267590E+03 0.10291E-03 -0.15502E-04 3889 0.309E-02 0.902E-02 RMM: 6 -0.308121222153E+03 0.45437E-04 -0.44506E-05 3074 0.196E-02 0.508E-02 RMM: 7 -0.308121252620E+03 -0.30467E-04 -0.67990E-05 3566 0.222E-02 0.918E-02 RMM: 8 -0.308121196384E+03 0.56236E-04 -0.43327E-05 3007 0.188E-02 0.265E-02 RMM: 9 -0.308121195054E+03 0.13302E-05 -0.13432E-05 2477 0.108E-02 2703 T= 6614. E= 0.68763805E+03 F= 0.63292020E+03 E0= 0.66088810E+03 EK= 0.54718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306225744763E+03 0.18955E+01 -0.20821E-01 7764 0.241E+01 0.221E-01 RMM: 2 -0.306242487915E+03 -0.16743E-01 -0.13668E-01 4822 0.887E-01 0.839E-01 RMM: 3 -0.306237499041E+03 0.49889E-02 -0.16547E-02 5898 0.244E-01 0.148E-01 RMM: 4 -0.306237289402E+03 0.20964E-03 -0.91278E-04 4764 0.712E-02 0.183E-01 RMM: 5 -0.306237084665E+03 0.20474E-03 -0.17089E-04 3893 0.349E-02 0.898E-02 RMM: 6 -0.306237030437E+03 0.54227E-04 -0.48272E-05 3158 0.208E-02 0.324E-02 RMM: 7 -0.306237033427E+03 -0.29898E-05 -0.22214E-05 2523 0.144E-02 2704 T= 6229. E= 0.68627787E+03 F= 0.63474532E+03 E0= 0.66274025E+03 EK= 0.51533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304508596755E+03 0.17284E+01 -0.19449E-01 7476 0.234E+01 0.186E-01 RMM: 2 -0.304522427494E+03 -0.13831E-01 -0.12401E-01 4947 0.831E-01 0.639E-01 RMM: 3 -0.304519512523E+03 0.29150E-02 -0.14556E-02 6041 0.216E-01 0.138E-01 RMM: 4 -0.304519250897E+03 0.26163E-03 -0.66960E-04 4683 0.628E-02 0.160E-01 RMM: 5 -0.304519076890E+03 0.17401E-03 -0.13489E-04 3870 0.325E-02 0.617E-02 RMM: 6 -0.304519062807E+03 0.14083E-04 -0.30619E-05 2783 0.165E-02 2705 T= 5939. E= 0.68553948E+03 F= 0.63640973E+03 E0= 0.66443126E+03 EK= 0.49130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303062220553E+03 0.14569E+01 -0.18236E-01 7572 0.230E+01 0.248E-01 RMM: 2 -0.303083370541E+03 -0.21150E-01 -0.11738E-01 5035 0.788E-01 0.127E+00 RMM: 3 -0.303071958140E+03 0.11412E-01 -0.13459E-02 5569 0.242E-01 0.207E-01 RMM: 4 -0.303071649538E+03 0.30860E-03 -0.11398E-03 4739 0.705E-02 0.128E-01 RMM: 5 -0.303071559371E+03 0.90168E-04 -0.16071E-04 3945 0.311E-02 0.858E-02 RMM: 6 -0.303071514899E+03 0.44471E-04 -0.37435E-05 2991 0.183E-02 0.469E-02 RMM: 7 -0.303071522707E+03 -0.78076E-05 -0.31526E-05 2673 0.171E-02 2706 T= 5839. E= 0.68611276E+03 F= 0.63780992E+03 E0= 0.66585610E+03 EK= 0.48303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301936057507E+03 0.11355E+01 -0.18490E-01 7764 0.230E+01 0.262E-01 RMM: 2 -0.301959990195E+03 -0.23933E-01 -0.12394E-01 4894 0.831E-01 0.138E+00 RMM: 3 -0.301946428977E+03 0.13561E-01 -0.15071E-02 5586 0.258E-01 0.237E-01 RMM: 4 -0.301945986358E+03 0.44262E-03 -0.13773E-03 4780 0.813E-02 0.124E-01 RMM: 5 -0.301945959119E+03 0.27239E-04 -0.20290E-04 3892 0.345E-02 0.116E-01 RMM: 6 -0.301945866330E+03 0.92789E-04 -0.53590E-05 3252 0.216E-02 0.306E-02 RMM: 7 -0.301945869617E+03 -0.32873E-05 -0.19190E-05 2530 0.132E-02 2707 T= 5964. E= 0.68823702E+03 F= 0.63889511E+03 E0= 0.66696307E+03 EK= 0.49342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301129091970E+03 0.81677E+00 -0.19439E-01 7704 0.235E+01 0.219E-01 RMM: 2 -0.301147566367E+03 -0.18474E-01 -0.12532E-01 5026 0.811E-01 0.105E+00 RMM: 3 -0.301139716417E+03 0.78500E-02 -0.14035E-02 5780 0.230E-01 0.182E-01 RMM: 4 -0.301139342418E+03 0.37400E-03 -0.89326E-04 4787 0.645E-02 0.108E-01 RMM: 5 -0.301139275183E+03 0.67234E-04 -0.13175E-04 3859 0.295E-02 0.759E-02 RMM: 6 -0.301139240938E+03 0.34245E-04 -0.35843E-05 2952 0.179E-02 0.461E-02 RMM: 7 -0.301139251340E+03 -0.10402E-04 -0.29258E-05 2597 0.161E-02 2708 T= 6290. E= 0.69170585E+03 F= 0.63966841E+03 E0= 0.66775362E+03 EK= 0.52037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300586978159E+03 0.55226E+00 -0.21397E-01 8016 0.243E+01 0.208E-01 RMM: 2 -0.300604656804E+03 -0.17679E-01 -0.13213E-01 5001 0.845E-01 0.935E-01 RMM: 3 -0.300598363277E+03 0.62935E-02 -0.14913E-02 5916 0.227E-01 0.188E-01 RMM: 4 -0.300597935664E+03 0.42761E-03 -0.82973E-04 4754 0.664E-02 0.121E-01 RMM: 5 -0.300597847127E+03 0.88538E-04 -0.14045E-04 3865 0.313E-02 0.751E-02 RMM: 6 -0.300597817668E+03 0.29459E-04 -0.36615E-05 2984 0.181E-02 0.450E-02 RMM: 7 -0.300597821841E+03 -0.41738E-05 -0.26442E-05 2571 0.153E-02 2709 T= 6721. E= 0.69578808E+03 F= 0.64018348E+03 E0= 0.66827971E+03 EK= 0.55605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300218184641E+03 0.37963E+00 -0.23040E-01 8016 0.251E+01 0.204E-01 RMM: 2 -0.300236809920E+03 -0.18625E-01 -0.15239E-01 5056 0.898E-01 0.865E-01 RMM: 3 -0.300231354890E+03 0.54550E-02 -0.16720E-02 6023 0.230E-01 0.170E-01 RMM: 4 -0.300230901151E+03 0.45374E-03 -0.82196E-04 4762 0.685E-02 0.137E-01 RMM: 5 -0.300230777808E+03 0.12334E-03 -0.14422E-04 3884 0.324E-02 0.734E-02 RMM: 6 -0.300230752948E+03 0.24860E-04 -0.35733E-05 2958 0.178E-02 0.550E-02 RMM: 7 -0.300230749263E+03 0.36845E-05 -0.30905E-05 2592 0.166E-02 2710 T= 7096. E= 0.69923093E+03 F= 0.64053055E+03 E0= 0.66863047E+03 EK= 0.58700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299929755203E+03 0.30100E+00 -0.23949E-01 8388 0.257E+01 0.209E-01 RMM: 2 -0.299948144380E+03 -0.18389E-01 -0.15175E-01 5057 0.897E-01 0.858E-01 RMM: 3 -0.299942701764E+03 0.54426E-02 -0.16502E-02 5972 0.236E-01 0.160E-01 RMM: 4 -0.299942298427E+03 0.40334E-03 -0.80013E-04 4836 0.644E-02 0.138E-01 RMM: 5 -0.299942185038E+03 0.11339E-03 -0.13907E-04 3874 0.323E-02 0.773E-02 RMM: 6 -0.299942157555E+03 0.27483E-04 -0.37451E-05 2974 0.180E-02 0.567E-02 RMM: 7 -0.299942155775E+03 0.17798E-05 -0.37023E-05 2670 0.179E-02 2711 T= 7240. E= 0.70069755E+03 F= 0.64080488E+03 E0= 0.66890185E+03 EK= 0.59893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299658652885E+03 0.28350E+00 -0.24005E-01 8532 0.258E+01 0.193E-01 RMM: 2 -0.299676362278E+03 -0.17709E-01 -0.15452E-01 5093 0.891E-01 0.761E-01 RMM: 3 -0.299671778994E+03 0.45833E-02 -0.15777E-02 6088 0.225E-01 0.149E-01 RMM: 4 -0.299671413007E+03 0.36599E-03 -0.71930E-04 4772 0.637E-02 0.138E-01 RMM: 5 -0.299671289335E+03 0.12367E-03 -0.12259E-04 3810 0.301E-02 0.666E-02 RMM: 6 -0.299671272282E+03 0.17052E-04 -0.29475E-05 2742 0.162E-02 2712 T= 7076. E= 0.69960676E+03 F= 0.64106682E+03 E0= 0.66915587E+03 EK= 0.58540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299405179796E+03 0.26611E+00 -0.23642E-01 8484 0.253E+01 0.240E-01 RMM: 2 -0.299432546307E+03 -0.27367E-01 -0.15153E-01 5151 0.865E-01 0.141E+00 RMM: 3 -0.299417679100E+03 0.14867E-01 -0.15205E-02 5542 0.260E-01 0.229E-01 RMM: 4 -0.299417260156E+03 0.41894E-03 -0.12443E-03 5078 0.702E-02 0.100E-01 RMM: 5 -0.299417193440E+03 0.66716E-04 -0.13543E-04 3945 0.290E-02 0.804E-02 RMM: 6 -0.299417164857E+03 0.28583E-04 -0.29947E-05 2751 0.160E-02 0.667E-02 RMM: 7 -0.299417181731E+03 -0.16874E-04 -0.63176E-05 3440 0.217E-02 2713 T= 6682. E= 0.69659603E+03 F= 0.64131726E+03 E0= 0.66939806E+03 EK= 0.55279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299221676847E+03 0.19549E+00 -0.22424E-01 8136 0.247E+01 0.301E-01 RMM: 2 -0.299251259235E+03 -0.29582E-01 -0.15875E-01 4992 0.928E-01 0.152E+00 RMM: 3 -0.299234808762E+03 0.16450E-01 -0.18378E-02 5578 0.288E-01 0.323E-01 RMM: 4 -0.299234004005E+03 0.80476E-03 -0.17569E-03 5024 0.912E-02 0.112E-01 RMM: 5 -0.299234028562E+03 -0.24557E-04 -0.25093E-04 3931 0.355E-02 0.137E-01 RMM: 6 -0.299233905883E+03 0.12268E-03 -0.65552E-05 3399 0.236E-02 0.402E-02 RMM: 7 -0.299233906526E+03 -0.64310E-06 -0.20522E-05 2536 0.134E-02 2714 T= 6231. E= 0.69304842E+03 F= 0.64150255E+03 E0= 0.66957736E+03 EK= 0.51546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299186356801E+03 0.47549E-01 -0.21330E-01 7836 0.240E+01 0.235E-01 RMM: 2 -0.299207963623E+03 -0.21607E-01 -0.16151E-01 5031 0.921E-01 0.103E+00 RMM: 3 -0.299200040007E+03 0.79236E-02 -0.17515E-02 5827 0.261E-01 0.212E-01 RMM: 4 -0.299199553411E+03 0.48660E-03 -0.10589E-03 4984 0.686E-02 0.110E-01 RMM: 5 -0.299199477442E+03 0.75970E-04 -0.13752E-04 3911 0.298E-02 0.891E-02 RMM: 6 -0.299199438306E+03 0.39136E-04 -0.34576E-05 2872 0.175E-02 0.633E-02 RMM: 7 -0.299199438683E+03 -0.37780E-06 -0.58591E-05 3306 0.207E-02 2715 T= 5887. E= 0.69024930E+03 F= 0.64154521E+03 E0= 0.66962023E+03 EK= 0.48704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299367875349E+03 -0.16844E+00 -0.20159E-01 7932 0.235E+01 0.273E-01 RMM: 2 -0.299392921302E+03 -0.25046E-01 -0.13963E-01 4946 0.875E-01 0.138E+00 RMM: 3 -0.299379382244E+03 0.13539E-01 -0.16405E-02 5588 0.272E-01 0.255E-01 RMM: 4 -0.299378845037E+03 0.53721E-03 -0.13323E-03 4895 0.751E-02 0.101E-01 RMM: 5 -0.299378823421E+03 0.21615E-04 -0.18140E-04 3887 0.339E-02 0.103E-01 RMM: 6 -0.299378758273E+03 0.65149E-04 -0.47922E-05 3128 0.205E-02 0.471E-02 RMM: 7 -0.299378765344E+03 -0.70711E-05 -0.22425E-05 2560 0.147E-02 2716 T= 5751. E= 0.68895852E+03 F= 0.64138064E+03 E0= 0.66946235E+03 EK= 0.47578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.299789169733E+03 -0.41041E+00 -0.19571E-01 7836 0.235E+01 0.231E-01 RMM: 2 -0.299806772305E+03 -0.17603E-01 -0.12122E-01 4937 0.814E-01 0.101E+00 RMM: 3 -0.299799338428E+03 0.74339E-02 -0.14309E-02 5678 0.245E-01 0.200E-01 RMM: 4 -0.299798984964E+03 0.35346E-03 -0.99145E-04 4910 0.645E-02 0.103E-01 RMM: 5 -0.299798940899E+03 0.44065E-04 -0.13722E-04 3857 0.302E-02 0.941E-02 RMM: 6 -0.299798886554E+03 0.54345E-04 -0.39867E-05 3026 0.188E-02 0.418E-02 RMM: 7 -0.299798891140E+03 -0.45854E-05 -0.21946E-05 2542 0.144E-02 2717 T= 5855. E= 0.68941775E+03 F= 0.64098183E+03 E0= 0.66907713E+03 EK= 0.48436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300426417722E+03 -0.62753E+00 -0.19917E-01 7836 0.240E+01 0.258E-01 RMM: 2 -0.300447514019E+03 -0.21096E-01 -0.11996E-01 4931 0.828E-01 0.127E+00 RMM: 3 -0.300436147815E+03 0.11366E-01 -0.13877E-02 5532 0.254E-01 0.240E-01 RMM: 4 -0.300435710209E+03 0.43761E-03 -0.11803E-03 4796 0.717E-02 0.104E-01 RMM: 5 -0.300435703036E+03 0.71734E-05 -0.18646E-04 3875 0.344E-02 2718 T= 6171. E= 0.69142640E+03 F= 0.64037246E+03 E0= 0.66848653E+03 EK= 0.51054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301199292907E+03 -0.76358E+00 -0.21051E-01 8064 0.247E+01 0.159E-01 RMM: 2 -0.301213551476E+03 -0.14259E-01 -0.13422E-01 4968 0.837E-01 0.535E-01 RMM: 3 -0.301211145591E+03 0.24059E-02 -0.14517E-02 6198 0.213E-01 0.147E-01 RMM: 4 -0.301210839304E+03 0.30629E-03 -0.61864E-04 4532 0.597E-02 0.137E-01 RMM: 5 -0.301210715372E+03 0.12393E-03 -0.11518E-04 3748 0.295E-02 0.826E-02 RMM: 6 -0.301210688992E+03 0.26379E-04 -0.45927E-05 3080 0.194E-02 0.665E-02 RMM: 7 -0.301210700305E+03 -0.11313E-04 -0.11289E-04 3888 0.257E-02 2719 T= 6608. E= 0.69429229E+03 F= 0.63963038E+03 E0= 0.66776747E+03 EK= 0.54662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301992736804E+03 -0.78205E+00 -0.23656E-01 7932 0.255E+01 0.273E-01 RMM: 2 -0.302014940936E+03 -0.22204E-01 -0.17754E-01 4766 0.100E+00 0.102E+00 RMM: 3 -0.302007515951E+03 0.74250E-02 -0.20703E-02 5853 0.281E-01 0.232E-01 RMM: 4 -0.302007185162E+03 0.33079E-03 -0.14600E-03 5087 0.872E-02 0.225E-01 RMM: 5 -0.302006908315E+03 0.27685E-03 -0.29847E-04 3937 0.427E-02 0.123E-01 RMM: 6 -0.302006813324E+03 0.94991E-04 -0.79532E-05 3550 0.252E-02 0.344E-02 RMM: 7 -0.302006822980E+03 -0.96556E-05 -0.23573E-05 2584 0.145E-02 2720 T= 7004. E= 0.69681309E+03 F= 0.63887224E+03 E0= 0.66703191E+03 EK= 0.57941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302691129041E+03 -0.68432E+00 -0.24312E-01 8184 0.260E+01 0.176E-01 RMM: 2 -0.302707387679E+03 -0.16259E-01 -0.15706E-01 5079 0.901E-01 0.541E-01 RMM: 3 -0.302704860183E+03 0.25275E-02 -0.15817E-02 6097 0.224E-01 0.166E-01 RMM: 4 -0.302704534909E+03 0.32527E-03 -0.68045E-04 4676 0.643E-02 0.171E-01 RMM: 5 -0.302704317137E+03 0.21777E-03 -0.14514E-04 3871 0.325E-02 0.729E-02 RMM: 6 -0.302704299883E+03 0.17254E-04 -0.35491E-05 2912 0.169E-02 2721 T= 7184. E= 0.69765130E+03 F= 0.63821784E+03 E0= 0.66639773E+03 EK= 0.59433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303218103714E+03 -0.51379E+00 -0.24687E-01 8328 0.260E+01 0.230E-01 RMM: 2 -0.303240158214E+03 -0.22055E-01 -0.14934E-01 5068 0.874E-01 0.113E+00 RMM: 3 -0.303230566418E+03 0.95918E-02 -0.15247E-02 5648 0.251E-01 0.210E-01 RMM: 4 -0.303230235484E+03 0.33093E-03 -0.10835E-03 4836 0.711E-02 0.137E-01 RMM: 5 -0.303230127516E+03 0.10797E-03 -0.15818E-04 3916 0.308E-02 0.938E-02 RMM: 6 -0.303230088501E+03 0.39015E-04 -0.46633E-05 3127 0.197E-02 0.705E-02 RMM: 7 -0.303230117788E+03 -0.29286E-04 -0.70087E-05 3564 0.231E-02 0.103E-01 RMM: 8 -0.303230054648E+03 0.63139E-04 -0.86010E-05 3855 0.227E-02 0.457E-02 RMM: 9 -0.303230046452E+03 0.81960E-05 -0.20144E-05 2591 0.133E-02 2722 T= 7058. E= 0.69613365E+03 F= 0.63774088E+03 E0= 0.66593889E+03 EK= 0.58393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303577142501E+03 -0.34709E+00 -0.24174E-01 8436 0.255E+01 0.280E-01 RMM: 2 -0.303603298370E+03 -0.26156E-01 -0.15993E-01 4971 0.921E-01 0.135E+00 RMM: 3 -0.303590062172E+03 0.13236E-01 -0.17425E-02 5664 0.271E-01 0.206E-01 RMM: 4 -0.303589903509E+03 0.15866E-03 -0.16092E-03 4996 0.909E-02 0.226E-01 RMM: 5 -0.303589646939E+03 0.25657E-03 -0.30710E-04 3947 0.429E-02 0.131E-01 RMM: 6 -0.303589532748E+03 0.11419E-03 -0.74168E-05 3497 0.243E-02 0.405E-02 RMM: 7 -0.303589543274E+03 -0.10525E-04 -0.30016E-05 2721 0.159E-02 2723 T= 6689. E= 0.69277284E+03 F= 0.63743699E+03 E0= 0.66565070E+03 EK= 0.55336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303846310852E+03 -0.25678E+00 -0.22675E-01 8436 0.247E+01 0.228E-01 RMM: 2 -0.303867928303E+03 -0.21617E-01 -0.14227E-01 5016 0.862E-01 0.113E+00 RMM: 3 -0.303858325479E+03 0.96028E-02 -0.15234E-02 5734 0.248E-01 0.213E-01 RMM: 4 -0.303857888737E+03 0.43674E-03 -0.96373E-04 4855 0.667E-02 0.997E-02 RMM: 5 -0.303857852161E+03 0.36577E-04 -0.13581E-04 3972 0.294E-02 0.966E-02 RMM: 6 -0.303857804686E+03 0.47475E-04 -0.41141E-05 3007 0.185E-02 0.626E-02 RMM: 7 -0.303857845216E+03 -0.40530E-04 -0.10290E-04 3880 0.264E-02 0.105E-01 RMM: 8 -0.303857777568E+03 0.67648E-04 -0.54871E-05 3280 0.206E-02 0.356E-02 RMM: 9 -0.303857773977E+03 0.35910E-05 -0.14616E-05 2500 0.110E-02 2724 T= 6243. E= 0.68888003E+03 F= 0.63723225E+03 E0= 0.66546199E+03 EK= 0.51648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304128789628E+03 -0.27101E+00 -0.21813E-01 8640 0.239E+01 0.194E-01 RMM: 2 -0.304144894447E+03 -0.16105E-01 -0.13837E-01 5002 0.845E-01 0.745E-01 RMM: 3 -0.304140551564E+03 0.43429E-02 -0.14186E-02 6014 0.221E-01 0.134E-01 RMM: 4 -0.304140341284E+03 0.21028E-03 -0.73059E-04 4712 0.645E-02 0.168E-01 RMM: 5 -0.304140157218E+03 0.18407E-03 -0.15622E-04 3878 0.337E-02 0.735E-02 RMM: 6 -0.304140132243E+03 0.24975E-04 -0.46042E-05 3155 0.199E-02 0.498E-02 RMM: 7 -0.304140150290E+03 -0.18048E-04 -0.35225E-05 2687 0.176E-02 2725 T= 5889. E= 0.68573764E+03 F= 0.63702188E+03 E0= 0.66527184E+03 EK= 0.48716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304520537277E+03 -0.38041E+00 -0.20913E-01 8520 0.234E+01 0.202E-01 RMM: 2 -0.304537343340E+03 -0.16806E-01 -0.13172E-01 5040 0.837E-01 0.865E-01 RMM: 3 -0.304531907951E+03 0.54354E-02 -0.14021E-02 5948 0.224E-01 0.189E-01 RMM: 4 -0.304531487006E+03 0.42095E-03 -0.72455E-04 4818 0.608E-02 0.106E-01 RMM: 5 -0.304531423008E+03 0.63998E-04 -0.12442E-04 3892 0.297E-02 0.886E-02 RMM: 6 -0.304531396674E+03 0.26334E-04 -0.47593E-05 3150 0.198E-02 0.707E-02 RMM: 7 -0.304531429368E+03 -0.32694E-04 -0.93814E-05 3850 0.248E-02 0.104E-01 RMM: 8 -0.304531361673E+03 0.67695E-04 -0.50363E-05 3246 0.205E-02 0.305E-02 RMM: 9 -0.304531361306E+03 0.36738E-06 -0.12736E-05 2487 0.102E-02 2726 T= 5732. E= 0.68413164E+03 F= 0.63671100E+03 E0= 0.66498785E+03 EK= 0.47421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305081131027E+03 -0.54977E+00 -0.20383E-01 8280 0.233E+01 0.177E-01 RMM: 2 -0.305096244727E+03 -0.15114E-01 -0.13599E-01 4957 0.841E-01 0.640E-01 RMM: 3 -0.305092966377E+03 0.32784E-02 -0.14423E-02 6122 0.214E-01 0.139E-01 RMM: 4 -0.305092700002E+03 0.26637E-03 -0.66638E-04 4687 0.640E-02 0.161E-01 RMM: 5 -0.305092528929E+03 0.17107E-03 -0.14382E-04 3861 0.323E-02 0.727E-02 RMM: 6 -0.305092507124E+03 0.21804E-04 -0.45201E-05 3134 0.198E-02 0.510E-02 RMM: 7 -0.305092520926E+03 -0.13801E-04 -0.34418E-05 2676 0.173E-02 2727 T= 5814. E= 0.68433427E+03 F= 0.63623738E+03 E0= 0.66454985E+03 EK= 0.48097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305825960985E+03 -0.73345E+00 -0.20004E-01 7920 0.237E+01 0.211E-01 RMM: 2 -0.305842339747E+03 -0.16379E-01 -0.13966E-01 4919 0.864E-01 0.771E-01 RMM: 3 -0.305837971687E+03 0.43681E-02 -0.15810E-02 6015 0.231E-01 0.172E-01 RMM: 4 -0.305837635113E+03 0.33657E-03 -0.80497E-04 4792 0.657E-02 0.154E-01 RMM: 5 -0.305837486831E+03 0.14828E-03 -0.15037E-04 3891 0.300E-02 0.933E-02 RMM: 6 -0.305837450766E+03 0.36065E-04 -0.55935E-05 3253 0.213E-02 0.649E-02 RMM: 7 -0.305837489386E+03 -0.38620E-04 -0.85795E-05 3769 0.240E-02 0.105E-01 RMM: 8 -0.305837419592E+03 0.69795E-04 -0.47853E-05 3206 0.202E-02 0.289E-02 RMM: 9 -0.305837419043E+03 0.54873E-06 -0.12852E-05 2492 0.105E-02 2728 T= 6117. E= 0.68618600E+03 F= 0.63558561E+03 E0= 0.66394297E+03 EK= 0.50600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306716467050E+03 -0.87905E+00 -0.21467E-01 7512 0.245E+01 0.211E-01 RMM: 2 -0.306735531034E+03 -0.19064E-01 -0.16418E-01 4817 0.939E-01 0.791E-01 RMM: 3 -0.306730710036E+03 0.48210E-02 -0.18700E-02 6127 0.242E-01 0.154E-01 RMM: 4 -0.306730432989E+03 0.27705E-03 -0.98242E-04 4853 0.781E-02 0.202E-01 RMM: 5 -0.306730178183E+03 0.25481E-03 -0.19988E-04 3887 0.361E-02 0.895E-02 RMM: 6 -0.306730129826E+03 0.48357E-04 -0.49048E-05 3200 0.205E-02 0.407E-02 RMM: 7 -0.306730142883E+03 -0.13058E-04 -0.26739E-05 2597 0.153E-02 2729 T= 6559. E= 0.68904730E+03 F= 0.63479009E+03 E0= 0.66320133E+03 EK= 0.54257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307680334623E+03 -0.95020E+00 -0.22475E-01 7584 0.253E+01 0.237E-01 RMM: 2 -0.307696715320E+03 -0.16381E-01 -0.13965E-01 4983 0.875E-01 0.806E-01 RMM: 3 -0.307692184148E+03 0.45312E-02 -0.15774E-02 5905 0.233E-01 0.187E-01 RMM: 4 -0.307691984560E+03 0.19959E-03 -0.98917E-04 4772 0.735E-02 0.210E-01 RMM: 5 -0.307691693110E+03 0.29145E-03 -0.20518E-04 3888 0.349E-02 0.949E-02 RMM: 6 -0.307691645381E+03 0.47729E-04 -0.50648E-05 3223 0.204E-02 0.534E-02 RMM: 7 -0.307691670724E+03 -0.25343E-04 -0.65237E-05 3522 0.216E-02 0.911E-02 RMM: 8 -0.307691618796E+03 0.51929E-04 -0.38950E-05 3021 0.187E-02 0.269E-02 RMM: 9 -0.307691626155E+03 -0.73598E-05 -0.16086E-05 2514 0.117E-02 2730 T= 6988. E= 0.69173761E+03 F= 0.63392923E+03 E0= 0.66240100E+03 EK= 0.57808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308611062090E+03 -0.91944E+00 -0.23371E-01 7596 0.259E+01 0.244E-01 RMM: 2 -0.308628146369E+03 -0.17084E-01 -0.14046E-01 4963 0.883E-01 0.866E-01 RMM: 3 -0.308622853634E+03 0.52927E-02 -0.15726E-02 5920 0.230E-01 0.170E-01 RMM: 4 -0.308622797141E+03 0.56492E-04 -0.10977E-03 4849 0.809E-02 0.254E-01 RMM: 5 -0.308622405704E+03 0.39144E-03 -0.25742E-04 3896 0.407E-02 0.108E-01 RMM: 6 -0.308622330847E+03 0.74857E-04 -0.60816E-05 3350 0.224E-02 0.390E-02 RMM: 7 -0.308622337778E+03 -0.69313E-05 -0.25338E-05 2577 0.148E-02 2731 T= 7220. E= 0.69283311E+03 F= 0.63310309E+03 E0= 0.66163647E+03 EK= 0.59730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309429396918E+03 -0.80707E+00 -0.23173E-01 7680 0.260E+01 0.234E-01 RMM: 2 -0.309444244222E+03 -0.14847E-01 -0.12867E-01 4980 0.855E-01 0.767E-01 RMM: 3 -0.309440243845E+03 0.40004E-02 -0.14328E-02 5900 0.225E-01 0.175E-01 RMM: 4 -0.309440119137E+03 0.12471E-03 -0.90762E-04 4694 0.712E-02 0.219E-01 RMM: 5 -0.309439794160E+03 0.32498E-03 -0.21288E-04 3895 0.375E-02 0.760E-02 RMM: 6 -0.309439780356E+03 0.13804E-04 -0.59868E-05 3312 0.219E-02 2732 T= 7140. E= 0.69146629E+03 F= 0.63239588E+03 E0= 0.66098688E+03 EK= 0.59070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310102279847E+03 -0.66249E+00 -0.22383E-01 7548 0.255E+01 0.324E-01 RMM: 2 -0.310132458528E+03 -0.30179E-01 -0.13009E-01 4903 0.854E-01 0.170E+00 RMM: 3 -0.310112619488E+03 0.19839E-01 -0.16707E-02 5401 0.293E-01 0.304E-01 RMM: 4 -0.310112099071E+03 0.52042E-03 -0.18184E-03 4999 0.894E-02 0.166E-01 RMM: 5 -0.310112069769E+03 0.29303E-04 -0.29465E-04 3904 0.390E-02 0.166E-01 RMM: 6 -0.310111895968E+03 0.17380E-03 -0.10705E-04 3707 0.293E-02 0.590E-02 RMM: 7 -0.310111909507E+03 -0.13540E-04 -0.56393E-05 3289 0.210E-02 2733 T= 6787. E= 0.68798557E+03 F= 0.63184191E+03 E0= 0.66048150E+03 EK= 0.56144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310649695773E+03 -0.53780E+00 -0.21292E-01 7572 0.247E+01 0.350E-01 RMM: 2 -0.310686223638E+03 -0.36528E-01 -0.13342E-01 4786 0.884E-01 0.196E+00 RMM: 3 -0.310660458999E+03 0.25765E-01 -0.18545E-02 5392 0.315E-01 0.372E-01 RMM: 4 -0.310659498697E+03 0.96030E-03 -0.22595E-03 5228 0.102E-01 0.135E-01 RMM: 5 -0.310659591911E+03 -0.93214E-04 -0.36379E-04 3921 0.443E-02 0.183E-01 RMM: 6 -0.310659363632E+03 0.22828E-03 -0.12840E-04 3864 0.317E-02 0.536E-02 RMM: 7 -0.310659378093E+03 -0.14460E-04 -0.51509E-05 3245 0.193E-02 2734 T= 6319. E= 0.68370108E+03 F= 0.63142262E+03 E0= 0.66009836E+03 EK= 0.52278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311121460125E+03 -0.46210E+00 -0.19984E-01 7824 0.238E+01 0.334E-01 RMM: 2 -0.311151853221E+03 -0.30393E-01 -0.11675E-01 4858 0.824E-01 0.177E+00 RMM: 3 -0.311130471576E+03 0.21382E-01 -0.16431E-02 5397 0.297E-01 0.296E-01 RMM: 4 -0.311129899100E+03 0.57248E-03 -0.17279E-03 4972 0.852E-02 0.138E-01 RMM: 5 -0.311129928932E+03 -0.29831E-04 -0.31429E-04 4007 0.442E-02 0.170E-01 RMM: 6 -0.311129750495E+03 0.17844E-03 -0.14907E-04 3876 0.346E-02 0.673E-02 RMM: 7 -0.311129786819E+03 -0.36323E-04 -0.77262E-05 3524 0.239E-02 0.100E-01 RMM: 8 -0.311129741574E+03 0.45245E-04 -0.43811E-05 3123 0.209E-02 0.576E-02 RMM: 9 -0.311129722991E+03 0.18582E-04 -0.15913E-05 2522 0.125E-02 2735 T= 5915. E= 0.68002262E+03 F= 0.63109150E+03 E0= 0.65979166E+03 EK= 0.48931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311555737743E+03 -0.42600E+00 -0.19080E-01 7788 0.232E+01 0.225E-01 RMM: 2 -0.311572437633E+03 -0.16700E-01 -0.11430E-01 4767 0.787E-01 0.997E-01 RMM: 3 -0.311565202909E+03 0.72347E-02 -0.13108E-02 5572 0.236E-01 0.201E-01 RMM: 4 -0.311564993680E+03 0.20923E-03 -0.10777E-03 4752 0.739E-02 0.166E-01 RMM: 5 -0.311564911753E+03 0.81927E-04 -0.24712E-04 3932 0.423E-02 0.141E-01 RMM: 6 -0.311564790406E+03 0.12135E-03 -0.10221E-04 3715 0.284E-02 0.549E-02 RMM: 7 -0.311564837582E+03 -0.47176E-04 -0.70692E-05 3484 0.236E-02 0.991E-02 RMM: 8 -0.311564777249E+03 0.60333E-04 -0.35961E-05 3013 0.195E-02 0.321E-02 RMM: 9 -0.311564773406E+03 0.38426E-05 -0.10266E-05 2476 0.953E-03 2736 T= 5690. E= 0.67788139E+03 F= 0.63080614E+03 E0= 0.65951862E+03 EK= 0.47075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311966897251E+03 -0.40212E+00 -0.18724E-01 7812 0.230E+01 0.244E-01 RMM: 2 -0.311983847487E+03 -0.16950E-01 -0.12027E-01 4743 0.825E-01 0.989E-01 RMM: 3 -0.311976825587E+03 0.70219E-02 -0.14356E-02 5661 0.240E-01 0.201E-01 RMM: 4 -0.311976536041E+03 0.28955E-03 -0.10888E-03 4761 0.735E-02 0.153E-01 RMM: 5 -0.311976440662E+03 0.95379E-04 -0.23550E-04 3897 0.396E-02 0.122E-01 RMM: 6 -0.311976361662E+03 0.79000E-04 -0.94066E-05 3646 0.275E-02 0.585E-02 RMM: 7 -0.311976404375E+03 -0.42714E-04 -0.59701E-05 3349 0.219E-02 0.977E-02 RMM: 8 -0.311976346204E+03 0.58171E-04 -0.32844E-05 2949 0.189E-02 0.330E-02 RMM: 9 -0.311976341832E+03 0.43723E-05 -0.95120E-06 2473 0.917E-03 2737 T= 5696. E= 0.67767555E+03 F= 0.63055252E+03 E0= 0.65926672E+03 EK= 0.47123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312328948041E+03 -0.35260E+00 -0.19081E-01 8052 0.232E+01 0.218E-01 RMM: 2 -0.312342330126E+03 -0.13382E-01 -0.10834E-01 4770 0.757E-01 0.780E-01 RMM: 3 -0.312337915022E+03 0.44151E-02 -0.12329E-02 5847 0.211E-01 0.165E-01 RMM: 4 -0.312337876096E+03 0.38927E-04 -0.93806E-04 4714 0.743E-02 0.224E-01 RMM: 5 -0.312337593501E+03 0.28260E-03 -0.24462E-04 3889 0.412E-02 0.114E-01 RMM: 6 -0.312337518223E+03 0.75277E-04 -0.76269E-05 3499 0.249E-02 0.529E-02 RMM: 7 -0.312337551926E+03 -0.33703E-04 -0.55992E-05 3301 0.213E-02 0.891E-02 RMM: 8 -0.312337502273E+03 0.49653E-04 -0.30098E-05 2889 0.181E-02 0.234E-02 RMM: 9 -0.312337503455E+03 -0.11822E-05 -0.91325E-06 2465 0.850E-03 2738 T= 5927. E= 0.67938720E+03 F= 0.63035440E+03 E0= 0.65905999E+03 EK= 0.49033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312574765303E+03 -0.23726E+00 -0.19957E-01 7944 0.238E+01 0.225E-01 RMM: 2 -0.312589093128E+03 -0.14328E-01 -0.12453E-01 4769 0.808E-01 0.735E-01 RMM: 3 -0.312585121644E+03 0.39715E-02 -0.14014E-02 5951 0.218E-01 0.169E-01 RMM: 4 -0.312585082936E+03 0.38707E-04 -0.99871E-04 4789 0.774E-02 0.243E-01 RMM: 5 -0.312584721522E+03 0.36141E-03 -0.25332E-04 3891 0.408E-02 0.104E-01 RMM: 6 -0.312584660091E+03 0.61431E-04 -0.70298E-05 3433 0.241E-02 0.481E-02 RMM: 7 -0.312584693977E+03 -0.33886E-04 -0.43455E-05 3090 0.187E-02 0.886E-02 RMM: 8 -0.312584644496E+03 0.49481E-04 -0.29410E-05 2711 0.176E-02 0.230E-02 RMM: 9 -0.312584645421E+03 -0.92484E-06 -0.96058E-06 2465 0.883E-03 2739 T= 6324. E= 0.68258815E+03 F= 0.63027238E+03 E0= 0.65896003E+03 EK= 0.52316E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312624336336E+03 -0.39692E-01 -0.21042E-01 8052 0.246E+01 0.236E-01 RMM: 2 -0.312639443921E+03 -0.15108E-01 -0.13478E-01 4858 0.827E-01 0.712E-01 RMM: 3 -0.312635486283E+03 0.39576E-02 -0.14798E-02 5973 0.221E-01 0.168E-01 RMM: 4 -0.312635504216E+03 -0.17933E-04 -0.10555E-03 4824 0.791E-02 0.267E-01 RMM: 5 -0.312635053252E+03 0.45096E-03 -0.28793E-04 3915 0.437E-02 0.100E-01 RMM: 6 -0.312634997980E+03 0.55272E-04 -0.64342E-05 3381 0.225E-02 0.525E-02 RMM: 7 -0.312635025895E+03 -0.27915E-04 -0.57936E-05 3359 0.208E-02 0.881E-02 RMM: 8 -0.312634976979E+03 0.48916E-04 -0.31316E-05 2881 0.177E-02 0.219E-02 RMM: 9 -0.312634980379E+03 -0.34004E-05 -0.11639E-05 2478 0.973E-03 2740 T= 6765. E= 0.68634913E+03 F= 0.63038751E+03 E0= 0.65904829E+03 EK= 0.55962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312410385038E+03 0.22459E+00 -0.22025E-01 8112 0.252E+01 0.238E-01 RMM: 2 -0.312426511150E+03 -0.16126E-01 -0.14611E-01 4872 0.865E-01 0.718E-01 RMM: 3 -0.312422428450E+03 0.40827E-02 -0.15608E-02 6087 0.227E-01 0.162E-01 RMM: 4 -0.312422422399E+03 0.60509E-05 -0.10391E-03 4821 0.799E-02 0.265E-01 RMM: 5 -0.312421960681E+03 0.46172E-03 -0.28900E-04 3927 0.442E-02 0.918E-02 RMM: 6 -0.312421921586E+03 0.39095E-04 -0.72554E-05 3465 0.242E-02 0.583E-02 RMM: 7 -0.312421955376E+03 -0.33790E-04 -0.51696E-05 3222 0.199E-02 0.957E-02 RMM: 8 -0.312421895951E+03 0.59425E-04 -0.33673E-05 2843 0.183E-02 0.215E-02 RMM: 9 -0.312421898732E+03 -0.27814E-05 -0.11236E-05 2475 0.945E-03 2741 T= 7081. E= 0.68934134E+03 F= 0.63076651E+03 E0= 0.65939357E+03 EK= 0.58575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311927084002E+03 0.49481E+00 -0.22746E-01 7944 0.254E+01 0.239E-01 RMM: 2 -0.311945798134E+03 -0.18714E-01 -0.16813E-01 4884 0.918E-01 0.755E-01 RMM: 3 -0.311941119989E+03 0.46781E-02 -0.17855E-02 6087 0.242E-01 0.164E-01 RMM: 4 -0.311941006637E+03 0.11335E-03 -0.10745E-03 4853 0.804E-02 0.250E-01 RMM: 5 -0.311940604318E+03 0.40232E-03 -0.27877E-04 3925 0.434E-02 0.983E-02 RMM: 6 -0.311940565709E+03 0.38609E-04 -0.77390E-05 3512 0.244E-02 0.693E-02 RMM: 7 -0.311940593245E+03 -0.27536E-04 -0.72563E-05 3599 0.232E-02 0.980E-02 RMM: 8 -0.311940531270E+03 0.61975E-04 -0.34817E-05 3007 0.184E-02 0.218E-02 RMM: 9 -0.311940533716E+03 -0.24467E-05 -0.11391E-05 2478 0.956E-03 2742 T= 7131. E= 0.69041240E+03 F= 0.63141615E+03 E0= 0.66000471E+03 EK= 0.58996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311265047968E+03 0.67548E+00 -0.22533E-01 7980 0.251E+01 0.246E-01 RMM: 2 -0.311286388736E+03 -0.21341E-01 -0.17608E-01 4950 0.940E-01 0.914E-01 RMM: 3 -0.311279855520E+03 0.65332E-02 -0.18582E-02 6065 0.248E-01 0.182E-01 RMM: 4 -0.311279551024E+03 0.30450E-03 -0.10769E-03 4852 0.803E-02 0.211E-01 RMM: 5 -0.311279264774E+03 0.28625E-03 -0.27658E-04 3966 0.439E-02 0.993E-02 RMM: 6 -0.311279251170E+03 0.13604E-04 -0.10869E-04 3743 0.287E-02 2743 T= 6900. E= 0.68933619E+03 F= 0.63225098E+03 E0= 0.66079954E+03 EK= 0.57085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310589968317E+03 0.68930E+00 -0.22121E-01 7908 0.244E+01 0.389E-01 RMM: 2 -0.310634804018E+03 -0.44836E-01 -0.18756E-01 5068 0.977E-01 0.206E+00 RMM: 3 -0.310604705572E+03 0.30098E-01 -0.22623E-02 5402 0.342E-01 0.351E-01 RMM: 4 -0.310603937427E+03 0.76815E-03 -0.24727E-03 5134 0.989E-02 0.172E-01 RMM: 5 -0.310603857842E+03 0.79585E-04 -0.48680E-04 4463 0.565E-02 0.172E-01 RMM: 6 -0.310603712749E+03 0.14509E-03 -0.24416E-04 3891 0.411E-02 0.107E-01 RMM: 7 -0.310603824224E+03 -0.11148E-03 -0.16968E-04 3890 0.352E-02 0.163E-01 RMM: 8 -0.310603658143E+03 0.16608E-03 -0.99665E-05 3755 0.289E-02 0.548E-02 RMM: 9 -0.310603648511E+03 0.96320E-05 -0.22238E-05 2651 0.137E-02 2744 T= 6508. E= 0.68694732E+03 F= 0.63310819E+03 E0= 0.66161765E+03 EK= 0.53839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310095603861E+03 0.50805E+00 -0.21566E-01 8580 0.237E+01 0.374E-01 RMM: 2 -0.310140531235E+03 -0.44927E-01 -0.18032E-01 4940 0.966E-01 0.207E+00 RMM: 3 -0.310109948012E+03 0.30583E-01 -0.22683E-02 5417 0.347E-01 0.371E-01 RMM: 4 -0.310109028563E+03 0.91945E-03 -0.26357E-03 5264 0.106E-01 0.155E-01 RMM: 5 -0.310109049647E+03 -0.21084E-04 -0.44682E-04 4276 0.532E-02 0.185E-01 RMM: 6 -0.310108829907E+03 0.21974E-03 -0.16454E-04 3877 0.345E-02 0.624E-02 RMM: 7 -0.310108904986E+03 -0.75078E-04 -0.99379E-05 3723 0.255E-02 0.122E-01 RMM: 8 -0.310108814012E+03 0.90974E-04 -0.52407E-05 3296 0.228E-02 0.410E-02 RMM: 9 -0.310108806554E+03 0.74578E-05 -0.12291E-05 2507 0.103E-02 2745 T= 6130. E= 0.68450265E+03 F= 0.63379432E+03 E0= 0.66226684E+03 EK= 0.50708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309950652635E+03 0.15816E+00 -0.21871E-01 8604 0.231E+01 0.295E-01 RMM: 2 -0.309978329758E+03 -0.27677E-01 -0.17749E-01 5029 0.946E-01 0.133E+00 RMM: 3 -0.309965348359E+03 0.12981E-01 -0.18143E-02 5579 0.282E-01 0.278E-01 RMM: 4 -0.309964799453E+03 0.54891E-03 -0.16128E-03 4926 0.875E-02 0.167E-01 RMM: 5 -0.309964717143E+03 0.82310E-04 -0.39773E-04 4324 0.529E-02 0.157E-01 RMM: 6 -0.309964604324E+03 0.11282E-03 -0.18826E-04 3888 0.363E-02 0.100E-01 RMM: 7 -0.309964685749E+03 -0.81425E-04 -0.15062E-04 3879 0.333E-02 0.147E-01 RMM: 8 -0.309964550655E+03 0.13509E-03 -0.81368E-05 3550 0.267E-02 0.442E-02 RMM: 9 -0.309964546204E+03 0.44508E-05 -0.15979E-05 2532 0.116E-02 2746 T= 5906. E= 0.68299704E+03 F= 0.63413928E+03 E0= 0.66257720E+03 EK= 0.48858E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310271842869E+03 -0.30729E+00 -0.23038E-01 8940 0.229E+01 0.281E-01 RMM: 2 -0.310296502567E+03 -0.24660E-01 -0.17998E-01 5052 0.935E-01 0.112E+00 RMM: 3 -0.310286553757E+03 0.99488E-02 -0.17582E-02 5694 0.266E-01 0.198E-01 RMM: 4 -0.310286393808E+03 0.15995E-03 -0.14108E-03 4897 0.847E-02 0.226E-01 RMM: 5 -0.310286113708E+03 0.28010E-03 -0.34432E-04 4061 0.474E-02 0.128E-01 RMM: 6 -0.310286046575E+03 0.67132E-04 -0.13314E-04 3859 0.310E-02 0.816E-02 RMM: 7 -0.310286112434E+03 -0.65859E-04 -0.88114E-05 3667 0.254E-02 0.126E-01 RMM: 8 -0.310286011367E+03 0.10107E-03 -0.51740E-05 3293 0.225E-02 0.286E-02 RMM: 9 -0.310286013892E+03 -0.25257E-05 -0.12362E-05 2498 0.101E-02 2747 T= 5909. E= 0.68291209E+03 F= 0.63402588E+03 E0= 0.66243100E+03 EK= 0.48886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311100285705E+03 -0.81427E+00 -0.26436E-01 9024 0.232E+01 0.257E-01 RMM: 2 -0.311121280992E+03 -0.20995E-01 -0.19755E-01 5013 0.965E-01 0.690E-01 RMM: 3 -0.311116776806E+03 0.45042E-02 -0.18465E-02 5981 0.256E-01 0.202E-01 RMM: 4 -0.311116647405E+03 0.12940E-03 -0.12235E-03 4800 0.820E-02 0.269E-01 RMM: 5 -0.311116193541E+03 0.45386E-03 -0.36265E-04 4152 0.499E-02 0.101E-01 RMM: 6 -0.311116165078E+03 0.28463E-04 -0.10431E-04 3767 0.275E-02 0.836E-02 RMM: 7 -0.311116199873E+03 -0.34794E-04 -0.78854E-05 3630 0.245E-02 0.108E-01 RMM: 8 -0.311116125122E+03 0.74751E-04 -0.43626E-05 3149 0.204E-02 0.301E-02 RMM: 9 -0.311116124727E+03 0.39508E-06 -0.12070E-05 2490 0.995E-03 2748 T= 6144. E= 0.68423848E+03 F= 0.63340818E+03 E0= 0.66178138E+03 EK= 0.50830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312396819692E+03 -0.12807E+01 -0.30156E-01 9060 0.239E+01 0.302E-01 RMM: 2 -0.312421379389E+03 -0.24560E-01 -0.21366E-01 5051 0.100E+00 0.918E-01 RMM: 3 -0.312414231469E+03 0.71479E-02 -0.20088E-02 5919 0.268E-01 0.200E-01 RMM: 4 -0.312414398247E+03 -0.16678E-03 -0.16229E-03 4996 0.948E-02 0.342E-01 RMM: 5 -0.312413660675E+03 0.73757E-03 -0.45590E-04 4282 0.538E-02 0.115E-01 RMM: 6 -0.312413593084E+03 0.67590E-04 -0.10646E-04 3763 0.268E-02 0.671E-02 RMM: 7 -0.312413646017E+03 -0.52933E-04 -0.81989E-05 3664 0.238E-02 0.111E-01 RMM: 8 -0.312413568780E+03 0.77238E-04 -0.51342E-05 3256 0.214E-02 0.293E-02 RMM: 9 -0.312413572260E+03 -0.34805E-05 -0.15763E-05 2523 0.114E-02 2749 T= 6544. E= 0.68646259E+03 F= 0.63232489E+03 E0= 0.66066552E+03 EK= 0.54138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314030064790E+03 -0.16165E+01 -0.35246E-01 9084 0.247E+01 0.305E-01 RMM: 2 -0.314054760818E+03 -0.24696E-01 -0.23640E-01 5182 0.104E+00 0.735E-01 RMM: 3 -0.314049546141E+03 0.52147E-02 -0.20636E-02 5964 0.266E-01 0.236E-01 RMM: 4 -0.314049598366E+03 -0.52225E-04 -0.16415E-03 5020 0.969E-02 0.347E-01 RMM: 5 -0.314048791775E+03 0.80659E-03 -0.52299E-04 4378 0.579E-02 0.103E-01 RMM: 6 -0.314048741876E+03 0.49899E-04 -0.98724E-05 3754 0.254E-02 0.668E-02 RMM: 7 -0.314048770314E+03 -0.28439E-04 -0.70828E-05 3577 0.224E-02 0.949E-02 RMM: 8 -0.314048715569E+03 0.54746E-04 -0.43012E-05 3116 0.190E-02 0.305E-02 RMM: 9 -0.314048724734E+03 -0.91648E-05 -0.19525E-05 2542 0.127E-02 2750 T= 6965. E= 0.68852217E+03 F= 0.63090478E+03 E0= 0.65921113E+03 EK= 0.57617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315810882026E+03 -0.17622E+01 -0.38652E-01 9060 0.255E+01 0.322E-01 RMM: 2 -0.315836570488E+03 -0.25688E-01 -0.24642E-01 5271 0.105E+00 0.765E-01 RMM: 3 -0.315830982926E+03 0.55876E-02 -0.19663E-02 5945 0.268E-01 0.243E-01 RMM: 4 -0.315831203957E+03 -0.22103E-03 -0.16418E-03 5042 0.955E-02 0.378E-01 RMM: 5 -0.315830239848E+03 0.96411E-03 -0.53946E-04 4463 0.589E-02 0.102E-01 RMM: 6 -0.315830196964E+03 0.42884E-04 -0.10338E-04 3770 0.255E-02 0.722E-02 RMM: 7 -0.315830224734E+03 -0.27770E-04 -0.72954E-05 3591 0.222E-02 0.994E-02 RMM: 8 -0.315830164939E+03 0.59794E-04 -0.47777E-05 3205 0.199E-02 0.308E-02 RMM: 9 -0.315830178262E+03 -0.13323E-04 -0.20339E-05 2566 0.129E-02 2751 T= 7218. E= 0.68905202E+03 F= 0.62934076E+03 E0= 0.65761076E+03 EK= 0.59711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317553137436E+03 -0.17230E+01 -0.40728E-01 9012 0.258E+01 0.317E-01 RMM: 2 -0.317578812938E+03 -0.25676E-01 -0.24139E-01 5537 0.103E+00 0.791E-01 RMM: 3 -0.317572806816E+03 0.60061E-02 -0.16976E-02 5832 0.253E-01 0.231E-01 RMM: 4 -0.317573032669E+03 -0.22585E-03 -0.16580E-03 5014 0.974E-02 0.359E-01 RMM: 5 -0.317572190100E+03 0.84257E-03 -0.54505E-04 4466 0.596E-02 0.113E-01 RMM: 6 -0.317572141925E+03 0.48175E-04 -0.12176E-04 3852 0.281E-02 0.817E-02 RMM: 7 -0.317572176239E+03 -0.34314E-04 -0.83860E-05 3745 0.237E-02 0.108E-01 RMM: 8 -0.317572101189E+03 0.75050E-04 -0.46448E-05 3230 0.197E-02 0.274E-02 RMM: 9 -0.317572113319E+03 -0.12130E-04 -0.17979E-05 2544 0.122E-02 2752 T= 7170. E= 0.68713823E+03 F= 0.62782227E+03 E0= 0.65605434E+03 EK= 0.59316E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319156955548E+03 -0.15849E+01 -0.40848E-01 9000 0.255E+01 0.288E-01 RMM: 2 -0.319182654357E+03 -0.25699E-01 -0.24945E-01 5478 0.107E+00 0.672E-01 RMM: 3 -0.319177989493E+03 0.46649E-02 -0.18880E-02 5984 0.255E-01 0.208E-01 RMM: 4 -0.319178067399E+03 -0.77906E-04 -0.14558E-03 5052 0.939E-02 0.334E-01 RMM: 5 -0.319177323843E+03 0.74356E-03 -0.50162E-04 4488 0.583E-02 0.101E-01 RMM: 6 -0.319177356931E+03 -0.33087E-04 -0.16848E-04 3884 0.333E-02 0.125E-01 RMM: 7 -0.319177330790E+03 0.26141E-04 -0.89532E-05 3745 0.259E-02 0.108E-01 RMM: 8 -0.319177256944E+03 0.73846E-04 -0.39197E-05 3111 0.184E-02 0.280E-02 RMM: 9 -0.319177266185E+03 -0.92406E-05 -0.15909E-05 2514 0.113E-02 2753 T= 6840. E= 0.68303617E+03 F= 0.62645118E+03 E0= 0.65464572E+03 EK= 0.56585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320650780701E+03 -0.14735E+01 -0.37940E-01 9012 0.248E+01 0.299E-01 RMM: 2 -0.320679855907E+03 -0.29075E-01 -0.23848E-01 5415 0.107E+00 0.105E+00 RMM: 3 -0.320670862380E+03 0.89935E-02 -0.19496E-02 5782 0.268E-01 0.226E-01 RMM: 4 -0.320670694020E+03 0.16836E-03 -0.15656E-03 5017 0.942E-02 0.274E-01 RMM: 5 -0.320670238954E+03 0.45507E-03 -0.47596E-04 4493 0.566E-02 0.142E-01 RMM: 6 -0.320670219792E+03 0.19162E-04 -0.22392E-04 3886 0.384E-02 0.134E-01 RMM: 7 -0.320670218934E+03 0.85748E-06 -0.12892E-04 3879 0.316E-02 2754 T= 6383. E= 0.67801220E+03 F= 0.62520691E+03 E0= 0.65336704E+03 EK= 0.52805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322153049350E+03 -0.14828E+01 -0.31757E-01 8952 0.239E+01 0.319E-01 RMM: 2 -0.322175768113E+03 -0.22719E-01 -0.20206E-01 5280 0.997E-01 0.872E-01 RMM: 3 -0.322169516355E+03 0.62518E-02 -0.17278E-02 5807 0.260E-01 0.234E-01 RMM: 4 -0.322169502269E+03 0.14086E-04 -0.14379E-03 4930 0.896E-02 0.312E-01 RMM: 5 -0.322168822185E+03 0.68008E-03 -0.64300E-04 4607 0.676E-02 0.112E-01 RMM: 6 -0.322169111904E+03 -0.28972E-03 -0.40477E-04 4201 0.517E-02 0.231E-01 RMM: 7 -0.322168848128E+03 0.26378E-03 -0.16863E-04 3880 0.377E-02 0.120E-01 RMM: 8 -0.322168759597E+03 0.88531E-04 -0.55193E-05 3336 0.209E-02 0.399E-02 RMM: 9 -0.322168783544E+03 -0.23947E-04 -0.33582E-05 2784 0.166E-02 0.628E-02 RMM: 10 -0.322168767208E+03 0.16337E-04 -0.21406E-05 2548 0.145E-02 2755 T= 5985. E= 0.67348251E+03 F= 0.62397358E+03 E0= 0.65210123E+03 EK= 0.49509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323801837090E+03 -0.16331E+01 -0.24444E-01 8964 0.232E+01 0.284E-01 RMM: 2 -0.323821474067E+03 -0.19637E-01 -0.15789E-01 5186 0.900E-01 0.946E-01 RMM: 3 -0.323814662193E+03 0.68119E-02 -0.15070E-02 5775 0.244E-01 0.207E-01 RMM: 4 -0.323814445526E+03 0.21667E-03 -0.12312E-03 4791 0.818E-02 0.232E-01 RMM: 5 -0.323814111688E+03 0.33384E-03 -0.46047E-04 4582 0.595E-02 0.129E-01 RMM: 6 -0.323814117173E+03 -0.54854E-05 -0.22910E-04 3889 0.394E-02 0.134E-01 RMM: 7 -0.323814107487E+03 0.96861E-05 -0.10573E-04 3803 0.298E-02 2756 T= 5774. E= 0.67037362E+03 F= 0.62260888E+03 E0= 0.65071014E+03 EK= 0.47765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325683856150E+03 -0.18697E+01 -0.18899E-01 8952 0.230E+01 0.370E-01 RMM: 2 -0.325696107983E+03 -0.12252E-01 -0.11228E-01 5262 0.763E-01 0.793E-01 RMM: 3 -0.325691577956E+03 0.45300E-02 -0.11259E-02 5575 0.226E-01 0.256E-01 RMM: 4 -0.325692412934E+03 -0.83498E-03 -0.16719E-03 4899 0.998E-02 0.463E-01 RMM: 5 -0.325690968617E+03 0.14443E-02 -0.69103E-04 4601 0.682E-02 0.119E-01 RMM: 6 -0.325691074097E+03 -0.10548E-03 -0.32291E-04 3909 0.459E-02 0.173E-01 RMM: 7 -0.325690948715E+03 0.12538E-03 -0.13104E-04 3882 0.345E-02 0.108E-01 RMM: 8 -0.325690876777E+03 0.71938E-04 -0.41745E-05 3160 0.187E-02 0.337E-02 RMM: 9 -0.325690897952E+03 -0.21174E-04 -0.23770E-05 2634 0.140E-02 0.588E-02 RMM: 10 -0.325690883490E+03 0.14462E-04 -0.16797E-05 2520 0.135E-02 2757 T= 5804. E= 0.66903573E+03 F= 0.62102440E+03 E0= 0.64909923E+03 EK= 0.48011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327771173047E+03 -0.20803E+01 -0.17027E-01 7812 0.232E+01 0.278E-01 RMM: 2 -0.327783356541E+03 -0.12183E-01 -0.11433E-01 4883 0.780E-01 0.666E-01 RMM: 3 -0.327780096950E+03 0.32596E-02 -0.12788E-02 5879 0.212E-01 0.205E-01 RMM: 4 -0.327780336158E+03 -0.23921E-03 -0.12550E-03 4847 0.883E-02 0.335E-01 RMM: 5 -0.327779609936E+03 0.72622E-03 -0.46128E-04 4428 0.562E-02 0.125E-01 RMM: 6 -0.327779535774E+03 0.74161E-04 -0.15565E-04 3880 0.332E-02 0.741E-02 RMM: 7 -0.327779549880E+03 -0.14105E-04 -0.48524E-05 3230 0.210E-02 2758 T= 6059. E= 0.66935519E+03 F= 0.61923454E+03 E0= 0.64728557E+03 EK= 0.50121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329938674285E+03 -0.21591E+01 -0.17060E-01 7920 0.238E+01 0.394E-01 RMM: 2 -0.329947688152E+03 -0.90139E-02 -0.95157E-02 4921 0.760E-01 0.717E-01 RMM: 3 -0.329944944310E+03 0.27438E-02 -0.11677E-02 5504 0.229E-01 0.337E-01 RMM: 4 -0.329945730891E+03 -0.78658E-03 -0.17450E-03 4992 0.992E-02 0.498E-01 RMM: 5 -0.329944013748E+03 0.17171E-02 -0.82060E-04 4606 0.742E-02 0.103E-01 RMM: 6 -0.329944011848E+03 0.19006E-05 -0.17702E-04 3876 0.336E-02 2759 T= 6455. E= 0.67077424E+03 F= 0.61737102E+03 E0= 0.64539698E+03 EK= 0.53403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331956543530E+03 -0.20125E+01 -0.19549E-01 7776 0.246E+01 0.436E-01 RMM: 2 -0.331986853329E+03 -0.30310E-01 -0.15133E-01 4868 0.932E-01 0.166E+00 RMM: 3 -0.331967236237E+03 0.19617E-01 -0.19146E-02 5405 0.311E-01 0.324E-01 RMM: 4 -0.331967986413E+03 -0.75018E-03 -0.33143E-03 5324 0.134E-01 0.469E-01 RMM: 5 -0.331966573913E+03 0.14125E-02 -0.88377E-04 4604 0.761E-02 0.160E-01 RMM: 6 -0.331966420191E+03 0.15372E-03 -0.17305E-04 3872 0.328E-02 0.749E-02 RMM: 7 -0.331966464755E+03 -0.44564E-04 -0.93306E-05 3749 0.260E-02 0.112E-01 RMM: 8 -0.331966387936E+03 0.76820E-04 -0.51913E-05 3292 0.209E-02 0.375E-02 RMM: 9 -0.331966395144E+03 -0.72080E-05 -0.23700E-05 2710 0.142E-02 2760 T= 6844. E= 0.67226999E+03 F= 0.61564981E+03 E0= 0.64364954E+03 EK= 0.56620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333609153158E+03 -0.16428E+01 -0.20040E-01 8400 0.251E+01 0.486E-01 RMM: 2 -0.333645917680E+03 -0.36765E-01 -0.14073E-01 5101 0.919E-01 0.201E+00 RMM: 3 -0.333617829528E+03 0.28088E-01 -0.19728E-02 5422 0.327E-01 0.352E-01 RMM: 4 -0.333618223173E+03 -0.39365E-03 -0.39524E-03 5328 0.146E-01 0.441E-01 RMM: 5 -0.333617092137E+03 0.11310E-02 -0.90418E-04 4600 0.778E-02 0.209E-01 RMM: 6 -0.333616793731E+03 0.29841E-03 -0.19004E-04 3880 0.358E-02 0.536E-02 RMM: 7 -0.333616820454E+03 -0.26723E-04 -0.62004E-05 3405 0.210E-02 0.908E-02 RMM: 8 -0.333616767759E+03 0.52695E-04 -0.40165E-05 3008 0.196E-02 0.323E-02 RMM: 9 -0.333616776768E+03 -0.90088E-05 -0.19909E-05 2554 0.129E-02 2761 T= 7051. E= 0.67263345E+03 F= 0.61430214E+03 E0= 0.64227468E+03 EK= 0.58331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334730458688E+03 -0.11137E+01 -0.20590E-01 8496 0.252E+01 0.408E-01 RMM: 2 -0.334745885116E+03 -0.15426E-01 -0.13302E-01 5119 0.844E-01 0.977E-01 RMM: 3 -0.334739548447E+03 0.63367E-02 -0.14644E-02 5590 0.252E-01 0.310E-01 RMM: 4 -0.334740566074E+03 -0.10176E-02 -0.22255E-03 5057 0.113E-01 0.517E-01 RMM: 5 -0.334738752865E+03 0.18132E-02 -0.85123E-04 4596 0.755E-02 0.125E-01 RMM: 6 -0.334738680431E+03 0.72435E-04 -0.16208E-04 3876 0.316E-02 0.866E-02 RMM: 7 -0.334738701925E+03 -0.21495E-04 -0.85057E-05 3766 0.248E-02 0.110E-01 RMM: 8 -0.334738625665E+03 0.76260E-04 -0.51866E-05 3316 0.206E-02 0.365E-02 RMM: 9 -0.334738639340E+03 -0.13674E-04 -0.26059E-05 2756 0.148E-02 2762 T= 6971. E= 0.67115422E+03 F= 0.61348835E+03 E0= 0.64143394E+03 EK= 0.57666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335291877935E+03 -0.55325E+00 -0.19481E-01 8484 0.248E+01 0.360E-01 RMM: 2 -0.335303756384E+03 -0.11878E-01 -0.11469E-01 5136 0.749E-01 0.746E-01 RMM: 3 -0.335299770758E+03 0.39856E-02 -0.11962E-02 5718 0.215E-01 0.274E-01 RMM: 4 -0.335300257716E+03 -0.48696E-03 -0.17274E-03 4965 0.102E-01 0.419E-01 RMM: 5 -0.335299048639E+03 0.12091E-02 -0.74624E-04 4595 0.717E-02 0.923E-02 RMM: 6 -0.335299074640E+03 -0.26001E-04 -0.14124E-04 3878 0.297E-02 0.115E-01 RMM: 7 -0.335299031229E+03 0.43411E-04 -0.68475E-05 3557 0.233E-02 0.878E-02 RMM: 8 -0.335298984638E+03 0.46591E-04 -0.37826E-05 3075 0.184E-02 0.279E-02 RMM: 9 -0.335298998886E+03 -0.14248E-04 -0.15643E-05 2519 0.113E-02 2763 T= 6639. E= 0.66816645E+03 F= 0.61324601E+03 E0= 0.64116781E+03 EK= 0.54920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335368273916E+03 -0.69289E-01 -0.18015E-01 8448 0.240E+01 0.320E-01 RMM: 2 -0.335377759144E+03 -0.94852E-02 -0.10339E-01 5156 0.693E-01 0.533E-01 RMM: 3 -0.335375492463E+03 0.22667E-02 -0.95125E-03 5795 0.190E-01 0.277E-01 RMM: 4 -0.335375758801E+03 -0.26634E-03 -0.13505E-03 4846 0.932E-02 0.389E-01 RMM: 5 -0.335374731676E+03 0.10271E-02 -0.67108E-04 4599 0.685E-02 0.881E-02 RMM: 6 -0.335374844254E+03 -0.11258E-03 -0.20938E-04 3885 0.371E-02 0.158E-01 RMM: 7 -0.335374708680E+03 0.13557E-03 -0.84893E-05 3661 0.284E-02 0.747E-02 RMM: 8 -0.335374674704E+03 0.33976E-04 -0.24219E-05 2686 0.146E-02 0.292E-02 RMM: 9 -0.335374688526E+03 -0.13822E-04 -0.16386E-05 2516 0.114E-02 2764 T= 6203. E= 0.66482004E+03 F= 0.61350154E+03 E0= 0.64140466E+03 EK= 0.51319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335091752879E+03 0.28292E+00 -0.17144E-01 8076 0.232E+01 0.294E-01 RMM: 2 -0.335102270057E+03 -0.10517E-01 -0.10806E-01 5257 0.695E-01 0.545E-01 RMM: 3 -0.335099426561E+03 0.28435E-02 -0.92357E-03 5921 0.181E-01 0.239E-01 RMM: 4 -0.335099667237E+03 -0.24068E-03 -0.14499E-03 4883 0.102E-01 0.363E-01 RMM: 5 -0.335098802228E+03 0.86501E-03 -0.68554E-04 4607 0.704E-02 0.103E-01 RMM: 6 -0.335098949273E+03 -0.14705E-03 -0.23652E-04 3888 0.399E-02 0.180E-01 RMM: 7 -0.335098756265E+03 0.19301E-03 -0.11374E-04 3856 0.334E-02 0.705E-02 RMM: 8 -0.335098727447E+03 0.28818E-04 -0.23534E-05 2783 0.146E-02 0.302E-02 RMM: 9 -0.335098740605E+03 -0.13158E-04 -0.17658E-05 2512 0.121E-02 2765 T= 5830. E= 0.66234780E+03 F= 0.61412201E+03 E0= 0.64201324E+03 EK= 0.48226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334601363974E+03 0.49736E+00 -0.16711E-01 7956 0.227E+01 0.293E-01 RMM: 2 -0.334612545737E+03 -0.11182E-01 -0.11038E-01 5082 0.734E-01 0.603E-01 RMM: 3 -0.334609515572E+03 0.30302E-02 -0.10706E-02 5981 0.195E-01 0.215E-01 RMM: 4 -0.334609698647E+03 -0.18308E-03 -0.14059E-03 4915 0.993E-02 0.349E-01 RMM: 5 -0.334608903917E+03 0.79473E-03 -0.77002E-04 4607 0.762E-02 0.109E-01 RMM: 6 -0.334609055681E+03 -0.15176E-03 -0.28744E-04 3892 0.443E-02 0.186E-01 RMM: 7 -0.334608856341E+03 0.19934E-03 -0.12844E-04 3855 0.361E-02 0.768E-02 RMM: 8 -0.334608821199E+03 0.35142E-04 -0.22635E-05 2658 0.143E-02 0.312E-02 RMM: 9 -0.334608833195E+03 -0.11996E-04 -0.19684E-05 2510 0.129E-02 2766 T= 5634. E= 0.66157551E+03 F= 0.61496602E+03 E0= 0.64285247E+03 EK= 0.46609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334010134632E+03 0.59869E+00 -0.16567E-01 8220 0.225E+01 0.295E-01 RMM: 2 -0.334019521522E+03 -0.93869E-02 -0.95838E-02 5221 0.678E-01 0.554E-01 RMM: 3 -0.334016956968E+03 0.25646E-02 -0.86533E-03 5841 0.179E-01 0.239E-01 RMM: 4 -0.334017214052E+03 -0.25708E-03 -0.13909E-03 4822 0.990E-02 0.364E-01 RMM: 5 -0.334016339098E+03 0.87495E-03 -0.70363E-04 4608 0.715E-02 0.106E-01 RMM: 6 -0.334016472448E+03 -0.13335E-03 -0.25506E-04 3895 0.414E-02 0.176E-01 RMM: 7 -0.334016302554E+03 0.16989E-03 -0.11337E-04 3865 0.334E-02 0.828E-02 RMM: 8 -0.334016259882E+03 0.42672E-04 -0.25718E-05 2841 0.153E-02 0.296E-02 RMM: 9 -0.334016272446E+03 -0.12564E-04 -0.18058E-05 2515 0.123E-02 2767 T= 5675. E= 0.66286690E+03 F= 0.61591556E+03 E0= 0.64380517E+03 EK= 0.46951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333392856620E+03 0.62340E+00 -0.16652E-01 8136 0.228E+01 0.312E-01 RMM: 2 -0.333404418563E+03 -0.11562E-01 -0.10236E-01 5117 0.721E-01 0.746E-01 RMM: 3 -0.333400272124E+03 0.41464E-02 -0.10337E-02 5771 0.199E-01 0.208E-01 RMM: 4 -0.333400668281E+03 -0.39616E-03 -0.14760E-03 4872 0.980E-02 0.371E-01 RMM: 5 -0.333399769935E+03 0.89835E-03 -0.66995E-04 4605 0.700E-02 0.122E-01 RMM: 6 -0.333399793486E+03 -0.23552E-04 -0.21760E-04 3888 0.379E-02 0.139E-01 RMM: 7 -0.333399729324E+03 0.64163E-04 -0.92319E-05 3729 0.297E-02 0.101E-01 RMM: 8 -0.333399662447E+03 0.66877E-04 -0.32597E-05 3026 0.173E-02 0.260E-02 RMM: 9 -0.333399674501E+03 -0.12054E-04 -0.14386E-05 2506 0.107E-02 2768 T= 5961. E= 0.66619805E+03 F= 0.61688441E+03 E0= 0.64478488E+03 EK= 0.49314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332808671104E+03 0.59099E+00 -0.16663E-01 8304 0.235E+01 0.322E-01 RMM: 2 -0.332817235793E+03 -0.85647E-02 -0.80957E-02 5377 0.638E-01 0.676E-01 RMM: 3 -0.332814020514E+03 0.32153E-02 -0.71988E-03 5602 0.174E-01 0.251E-01 RMM: 4 -0.332814492197E+03 -0.47168E-03 -0.13634E-03 4686 0.926E-02 0.390E-01 RMM: 5 -0.332813472146E+03 0.10201E-02 -0.62033E-04 4593 0.661E-02 0.118E-01 RMM: 6 -0.332813457973E+03 0.14173E-04 -0.18559E-04 3884 0.350E-02 2769 T= 6440. E= 0.67109046E+03 F= 0.61781233E+03 E0= 0.64573259E+03 EK= 0.53278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332290203655E+03 0.52327E+00 -0.17931E-01 8052 0.244E+01 0.482E-01 RMM: 2 -0.332326639616E+03 -0.36436E-01 -0.99917E-02 5193 0.769E-01 0.212E+00 RMM: 3 -0.332295473576E+03 0.31166E-01 -0.17129E-02 5358 0.323E-01 0.310E-01 RMM: 4 -0.332295920074E+03 -0.44650E-03 -0.28494E-03 5279 0.120E-01 0.419E-01 RMM: 5 -0.332294989258E+03 0.93082E-03 -0.74379E-04 4591 0.697E-02 0.236E-01 RMM: 6 -0.332294653486E+03 0.33577E-03 -0.29242E-04 3888 0.448E-02 0.932E-02 RMM: 7 -0.332294766989E+03 -0.11350E-03 -0.17108E-04 3877 0.351E-02 0.159E-01 RMM: 8 -0.332294605896E+03 0.16109E-03 -0.88344E-05 3632 0.277E-02 0.434E-02 RMM: 9 -0.332294604611E+03 0.12849E-05 -0.19365E-05 2572 0.127E-02 2770 T= 6981. E= 0.67641105E+03 F= 0.61866034E+03 E0= 0.64660974E+03 EK= 0.57751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331860202151E+03 0.43440E+00 -0.18734E-01 7620 0.253E+01 0.408E-01 RMM: 2 -0.331889870701E+03 -0.29669E-01 -0.88016E-02 5203 0.724E-01 0.185E+00 RMM: 3 -0.331865431721E+03 0.24439E-01 -0.13666E-02 5355 0.284E-01 0.295E-01 RMM: 4 -0.331865838132E+03 -0.40641E-03 -0.26286E-03 5298 0.118E-01 0.401E-01 RMM: 5 -0.331865031588E+03 0.80654E-03 -0.68905E-04 4595 0.715E-02 0.219E-01 RMM: 6 -0.331864695989E+03 0.33560E-03 -0.20442E-04 3882 0.382E-02 0.497E-02 RMM: 7 -0.331864746036E+03 -0.50048E-04 -0.80918E-05 3585 0.235E-02 0.104E-01 RMM: 8 -0.331864675246E+03 0.70791E-04 -0.45120E-05 3173 0.213E-02 0.298E-02 RMM: 9 -0.331864672918E+03 0.23279E-05 -0.93582E-06 2481 0.891E-03 2771 T= 7375. E= 0.68041938E+03 F= 0.61940949E+03 E0= 0.64739779E+03 EK= 0.61010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331524123231E+03 0.34055E+00 -0.19131E-01 7668 0.256E+01 0.407E-01 RMM: 2 -0.331541646966E+03 -0.17524E-01 -0.86412E-02 5213 0.732E-01 0.136E+00 RMM: 3 -0.331529042637E+03 0.12604E-01 -0.10712E-02 5362 0.244E-01 0.277E-01 RMM: 4 -0.331529783132E+03 -0.74049E-03 -0.23420E-03 5171 0.115E-01 0.448E-01 RMM: 5 -0.331528590693E+03 0.11924E-02 -0.72708E-04 4580 0.712E-02 0.190E-01 RMM: 6 -0.331528367510E+03 0.22318E-03 -0.19184E-04 3878 0.363E-02 0.754E-02 RMM: 7 -0.331528413493E+03 -0.45982E-04 -0.10527E-04 3827 0.276E-02 0.116E-01 RMM: 8 -0.331528323922E+03 0.89570E-04 -0.53980E-05 3340 0.222E-02 0.306E-02 RMM: 9 -0.331528328348E+03 -0.44252E-05 -0.14515E-05 2519 0.110E-02 2772 T= 7431. E= 0.68153957E+03 F= 0.62006143E+03 E0= 0.64809657E+03 EK= 0.61478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331279738817E+03 0.24859E+00 -0.18768E-01 7764 0.253E+01 0.366E-01 RMM: 2 -0.331292417896E+03 -0.12679E-01 -0.91653E-02 5124 0.741E-01 0.102E+00 RMM: 3 -0.331285608047E+03 0.68098E-02 -0.10275E-02 5446 0.222E-01 0.245E-01 RMM: 4 -0.331286536441E+03 -0.92839E-03 -0.18367E-03 4953 0.104E-01 0.461E-01 RMM: 5 -0.331285162123E+03 0.13743E-02 -0.73798E-04 4604 0.729E-02 0.142E-01 RMM: 6 -0.331285068335E+03 0.93788E-04 -0.20269E-04 3879 0.370E-02 0.877E-02 RMM: 7 -0.331285088068E+03 -0.19733E-04 -0.68504E-05 3516 0.242E-02 2773 T= 7116. E= 0.67949722E+03 F= 0.62062470E+03 E0= 0.64871143E+03 EK= 0.58873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331137274107E+03 0.14779E+00 -0.17592E-01 7836 0.246E+01 0.350E-01 RMM: 2 -0.331146109374E+03 -0.88353E-02 -0.87605E-02 5124 0.700E-01 0.667E-01 RMM: 3 -0.331143220252E+03 0.28891E-02 -0.88562E-03 5562 0.195E-01 0.292E-01 RMM: 4 -0.331143919524E+03 -0.69927E-03 -0.17552E-03 4942 0.106E-01 0.460E-01 RMM: 5 -0.331142491762E+03 0.14278E-02 -0.91025E-04 4602 0.810E-02 0.105E-01 RMM: 6 -0.331142590183E+03 -0.98421E-04 -0.20894E-04 3880 0.370E-02 0.162E-01 RMM: 7 -0.331142470542E+03 0.11964E-03 -0.94816E-05 3767 0.295E-02 0.943E-02 RMM: 8 -0.331142416715E+03 0.53827E-04 -0.42648E-05 3191 0.191E-02 0.322E-02 RMM: 9 -0.331142438747E+03 -0.22032E-04 -0.19636E-05 2557 0.129E-02 0.572E-02 RMM: 10 -0.331142423297E+03 0.15450E-04 -0.13178E-05 2500 0.120E-02 2774 T= 6583. E= 0.67555713E+03 F= 0.62109907E+03 E0= 0.64923897E+03 EK= 0.54458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331108672021E+03 0.33767E-01 -0.17483E-01 7788 0.236E+01 0.310E-01 RMM: 2 -0.331118774030E+03 -0.10102E-01 -0.10151E-01 4974 0.744E-01 0.635E-01 RMM: 3 -0.331116046455E+03 0.27276E-02 -0.10852E-02 5762 0.205E-01 0.240E-01 RMM: 4 -0.331116523084E+03 -0.47663E-03 -0.15499E-03 5004 0.102E-01 0.404E-01 RMM: 5 -0.331115471566E+03 0.10515E-02 -0.73938E-04 4604 0.739E-02 0.129E-01 RMM: 6 -0.331115446874E+03 0.24692E-04 -0.23575E-04 3888 0.402E-02 0.119E-01 RMM: 7 -0.331115378348E+03 0.68526E-04 -0.78121E-05 3631 0.287E-02 0.663E-02 RMM: 8 -0.331115351592E+03 0.26755E-04 -0.15716E-05 2553 0.122E-02 0.251E-02 RMM: 9 -0.331115359101E+03 -0.75085E-05 -0.11317E-05 2471 0.961E-03 2775 T= 6052. E= 0.67154372E+03 F= 0.62147352E+03 E0= 0.64966283E+03 EK= 0.50070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331210374158E+03 -0.95023E-01 -0.16653E-01 8004 0.228E+01 0.337E-01 RMM: 2 -0.331218198081E+03 -0.78239E-02 -0.87803E-02 5173 0.666E-01 0.523E-01 RMM: 3 -0.331216300042E+03 0.18980E-02 -0.82215E-03 5571 0.188E-01 0.314E-01 RMM: 4 -0.331216724703E+03 -0.42466E-03 -0.16805E-03 4930 0.107E-01 0.435E-01 RMM: 5 -0.331215479704E+03 0.12450E-02 -0.86084E-04 4603 0.785E-02 0.107E-01 RMM: 6 -0.331215559659E+03 -0.79956E-04 -0.23107E-04 3888 0.395E-02 0.156E-01 RMM: 7 -0.331215445874E+03 0.11379E-03 -0.94594E-05 3748 0.302E-02 0.894E-02 RMM: 8 -0.331215397673E+03 0.48201E-04 -0.32372E-05 2992 0.170E-02 0.331E-02 RMM: 9 -0.331215419911E+03 -0.22238E-04 -0.19071E-05 2552 0.126E-02 0.600E-02 RMM: 10 -0.331215402557E+03 0.17354E-04 -0.13096E-05 2503 0.116E-02 2776 T= 5694. E= 0.66883817E+03 F= 0.62173591E+03 E0= 0.64996809E+03 EK= 0.47102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331431013317E+03 -0.21559E+00 -0.16481E-01 7920 0.223E+01 0.324E-01 RMM: 2 -0.331439291469E+03 -0.82782E-02 -0.97336E-02 5202 0.681E-01 0.437E-01 RMM: 3 -0.331437959562E+03 0.13319E-02 -0.88760E-03 5677 0.184E-01 0.332E-01 RMM: 4 -0.331438107657E+03 -0.14810E-03 -0.14738E-03 4866 0.100E-01 0.410E-01 RMM: 5 -0.331436986230E+03 0.11214E-02 -0.78108E-04 4601 0.741E-02 0.888E-02 RMM: 6 -0.331437125255E+03 -0.13902E-03 -0.21083E-04 3883 0.374E-02 0.173E-01 RMM: 7 -0.331436952212E+03 0.17304E-03 -0.90415E-05 3669 0.295E-02 0.648E-02 RMM: 8 -0.331436931174E+03 0.21038E-04 -0.22752E-05 2650 0.141E-02 0.336E-02 RMM: 9 -0.331436944331E+03 -0.13158E-04 -0.17354E-05 2521 0.121E-02 2777 T= 5589. E= 0.66812660E+03 F= 0.62188659E+03 E0= 0.65015472E+03 EK= 0.46240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331747829044E+03 -0.31090E+00 -0.16172E-01 8472 0.224E+01 0.341E-01 RMM: 2 -0.331754865801E+03 -0.70368E-02 -0.85658E-02 5369 0.617E-01 0.453E-01 RMM: 3 -0.331753475264E+03 0.13905E-02 -0.71821E-03 5490 0.177E-01 0.361E-01 RMM: 4 -0.331753434080E+03 0.41184E-04 -0.13880E-03 4726 0.944E-02 0.386E-01 RMM: 5 -0.331752439898E+03 0.99418E-03 -0.67724E-04 4594 0.687E-02 0.885E-02 RMM: 6 -0.331752502898E+03 -0.63000E-04 -0.19352E-04 3884 0.359E-02 0.136E-01 RMM: 7 -0.331752395759E+03 0.10714E-03 -0.79706E-05 3588 0.275E-02 0.567E-02 RMM: 8 -0.331752383402E+03 0.12357E-04 -0.18307E-05 2563 0.126E-02 2778 T= 5757. E= 0.66957514E+03 F= 0.62194515E+03 E0= 0.65024182E+03 EK= 0.47630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332107687998E+03 -0.35529E+00 -0.17371E-01 8436 0.229E+01 0.374E-01 RMM: 2 -0.332120791510E+03 -0.13104E-01 -0.10764E-01 5311 0.693E-01 0.896E-01 RMM: 3 -0.332114527384E+03 0.62641E-02 -0.95933E-03 5439 0.209E-01 0.286E-01 RMM: 4 -0.332115592433E+03 -0.10650E-02 -0.21012E-03 4959 0.112E-01 0.510E-01 RMM: 5 -0.332113936508E+03 0.16559E-02 -0.94276E-04 4591 0.818E-02 0.147E-01 RMM: 6 -0.332113843415E+03 0.93093E-04 -0.23924E-04 3887 0.404E-02 0.962E-02 RMM: 7 -0.332113840006E+03 0.34089E-05 -0.80232E-05 3601 0.258E-02 2779 T= 6162. E= 0.67292399E+03 F= 0.62195165E+03 E0= 0.65026985E+03 EK= 0.50972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332452282884E+03 -0.33844E+00 -0.18862E-01 8640 0.237E+01 0.395E-01 RMM: 2 -0.332469121102E+03 -0.16838E-01 -0.12425E-01 5314 0.742E-01 0.106E+00 RMM: 3 -0.332460549991E+03 0.85711E-02 -0.11625E-02 5460 0.230E-01 0.295E-01 RMM: 4 -0.332461505021E+03 -0.95503E-03 -0.24497E-03 5085 0.118E-01 0.499E-01 RMM: 5 -0.332459912341E+03 0.15927E-02 -0.96697E-04 4605 0.835E-02 0.147E-01 RMM: 6 -0.332459818030E+03 0.94312E-04 -0.20981E-04 3892 0.372E-02 0.979E-02 RMM: 7 -0.332459863671E+03 -0.45641E-04 -0.94942E-05 3736 0.260E-02 0.128E-01 RMM: 8 -0.332459759301E+03 0.10437E-03 -0.51804E-05 3318 0.214E-02 0.366E-02 RMM: 9 -0.332459765866E+03 -0.65654E-05 -0.20513E-05 2587 0.130E-02 2780 T= 6695. E= 0.67735251E+03 F= 0.62196286E+03 E0= 0.65029695E+03 EK= 0.55390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332724197743E+03 -0.26444E+00 -0.21379E-01 8592 0.245E+01 0.343E-01 RMM: 2 -0.332740933576E+03 -0.16736E-01 -0.15641E-01 5382 0.819E-01 0.769E-01 RMM: 3 -0.332735575606E+03 0.53580E-02 -0.12674E-02 5595 0.226E-01 0.270E-01 RMM: 4 -0.332736241665E+03 -0.66606E-03 -0.16784E-03 4913 0.995E-02 0.442E-01 RMM: 5 -0.332734939735E+03 0.13019E-02 -0.67504E-04 4585 0.676E-02 0.842E-02 RMM: 6 -0.332734952336E+03 -0.12600E-04 -0.14958E-04 3887 0.304E-02 2781 T= 7173. E= 0.68137373E+03 F= 0.62203398E+03 E0= 0.65038035E+03 EK= 0.59340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332910102511E+03 -0.17516E+00 -0.23629E-01 8664 0.250E+01 0.435E-01 RMM: 2 -0.332943732471E+03 -0.33630E-01 -0.18234E-01 5260 0.905E-01 0.167E+00 RMM: 3 -0.332922873568E+03 0.20859E-01 -0.17678E-02 5457 0.289E-01 0.267E-01 RMM: 4 -0.332923783251E+03 -0.90968E-03 -0.30417E-03 5319 0.129E-01 0.477E-01 RMM: 5 -0.332922386273E+03 0.13970E-02 -0.99342E-04 4607 0.822E-02 0.197E-01 RMM: 6 -0.332922182051E+03 0.20422E-03 -0.29110E-04 3909 0.443E-02 0.104E-01 RMM: 7 -0.332922291423E+03 -0.10937E-03 -0.14478E-04 3881 0.324E-02 0.164E-01 RMM: 8 -0.332922114652E+03 0.17677E-03 -0.83719E-05 3643 0.265E-02 0.365E-02 RMM: 9 -0.332922122664E+03 -0.80111E-05 -0.21415E-05 2626 0.132E-02 2782 T= 7384. E= 0.68327228E+03 F= 0.62218688E+03 E0= 0.65054461E+03 EK= 0.61085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333046774267E+03 -0.12466E+00 -0.24856E-01 8664 0.248E+01 0.389E-01 RMM: 2 -0.333077982818E+03 -0.31209E-01 -0.19533E-01 5220 0.932E-01 0.147E+00 RMM: 3 -0.333061290827E+03 0.16692E-01 -0.17630E-02 5431 0.292E-01 0.301E-01 RMM: 4 -0.333061531397E+03 -0.24057E-03 -0.28473E-03 5296 0.125E-01 0.382E-01 RMM: 5 -0.333060717423E+03 0.81397E-03 -0.88082E-04 4608 0.800E-02 0.189E-01 RMM: 6 -0.333060502209E+03 0.21521E-03 -0.21019E-04 3885 0.369E-02 0.731E-02 RMM: 7 -0.333060576868E+03 -0.74658E-04 -0.93399E-05 3720 0.263E-02 0.125E-01 RMM: 8 -0.333060473356E+03 0.10351E-03 -0.44890E-05 3224 0.206E-02 0.296E-02 RMM: 9 -0.333060475480E+03 -0.21248E-05 -0.11740E-05 2496 0.961E-03 2783 T= 7226. E= 0.68217033E+03 F= 0.62238990E+03 E0= 0.65075929E+03 EK= 0.59780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333221311867E+03 -0.16084E+00 -0.24987E-01 8616 0.242E+01 0.367E-01 RMM: 2 -0.333248473387E+03 -0.27162E-01 -0.20965E-01 5262 0.965E-01 0.116E+00 RMM: 3 -0.333237428134E+03 0.11045E-01 -0.17505E-02 5621 0.270E-01 0.256E-01 RMM: 4 -0.333237819278E+03 -0.39114E-03 -0.22741E-03 5170 0.115E-01 0.403E-01 RMM: 5 -0.333236901304E+03 0.91797E-03 -0.93926E-04 4606 0.824E-02 0.196E-01 RMM: 6 -0.333236725387E+03 0.17592E-03 -0.31635E-04 3923 0.461E-02 0.120E-01 RMM: 7 -0.333236746569E+03 -0.21182E-04 -0.16061E-04 3874 0.378E-02 0.135E-01 RMM: 8 -0.333236629907E+03 0.11666E-03 -0.68990E-05 3479 0.247E-02 0.366E-02 RMM: 9 -0.333236639910E+03 -0.10002E-04 -0.21156E-05 2614 0.134E-02 2784 T= 6787. E= 0.67871107E+03 F= 0.62256428E+03 E0= 0.65094513E+03 EK= 0.56147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333529391676E+03 -0.29276E+00 -0.24176E-01 8832 0.233E+01 0.339E-01 RMM: 2 -0.333551873834E+03 -0.22482E-01 -0.19914E-01 5205 0.951E-01 0.892E-01 RMM: 3 -0.333545175160E+03 0.66987E-02 -0.17041E-02 5797 0.255E-01 0.247E-01 RMM: 4 -0.333545534687E+03 -0.35953E-03 -0.20335E-03 5132 0.113E-01 0.405E-01 RMM: 5 -0.333544499889E+03 0.10348E-02 -0.10368E-03 4608 0.883E-02 0.139E-01 RMM: 6 -0.333544549043E+03 -0.49155E-04 -0.27739E-04 3883 0.427E-02 0.164E-01 RMM: 7 -0.333544427897E+03 0.12115E-03 -0.13556E-04 3880 0.361E-02 0.971E-02 RMM: 8 -0.333544370852E+03 0.57045E-04 -0.37201E-05 3072 0.184E-02 0.350E-02 RMM: 9 -0.333544386334E+03 -0.15481E-04 -0.20626E-05 2545 0.134E-02 2785 T= 6272. E= 0.67450560E+03 F= 0.62262180E+03 E0= 0.65101345E+03 EK= 0.51884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334027694866E+03 -0.48332E+00 -0.22945E-01 8712 0.224E+01 0.338E-01 RMM: 2 -0.334047703465E+03 -0.20009E-01 -0.19525E-01 5306 0.927E-01 0.704E-01 RMM: 3 -0.334043106205E+03 0.45973E-02 -0.15417E-02 5841 0.235E-01 0.263E-01 RMM: 4 -0.334043602078E+03 -0.49587E-03 -0.21116E-03 5128 0.120E-01 0.441E-01 RMM: 5 -0.334042343208E+03 0.12589E-02 -0.10027E-03 4613 0.851E-02 0.127E-01 RMM: 6 -0.334042434282E+03 -0.91074E-04 -0.30600E-04 3912 0.452E-02 0.176E-01 RMM: 7 -0.334042281374E+03 0.15291E-03 -0.14594E-04 3870 0.383E-02 0.966E-02 RMM: 8 -0.334042225084E+03 0.56290E-04 -0.35151E-05 3057 0.177E-02 0.352E-02 RMM: 9 -0.334042242254E+03 -0.17170E-04 -0.21637E-05 2569 0.136E-02 2786 T= 5870. E= 0.67106185E+03 F= 0.62250524E+03 E0= 0.65090635E+03 EK= 0.48557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334719504175E+03 -0.67728E+00 -0.21824E-01 8784 0.219E+01 0.358E-01 RMM: 2 -0.334737332132E+03 -0.17828E-01 -0.17220E-01 5337 0.857E-01 0.728E-01 RMM: 3 -0.334732517271E+03 0.48149E-02 -0.12842E-02 5693 0.224E-01 0.268E-01 RMM: 4 -0.334733219440E+03 -0.70217E-03 -0.22026E-03 5156 0.121E-01 0.465E-01 RMM: 5 -0.334731808218E+03 0.14112E-02 -0.98550E-04 4611 0.839E-02 0.117E-01 RMM: 6 -0.334731870910E+03 -0.62692E-04 -0.23627E-04 3891 0.393E-02 0.154E-01 RMM: 7 -0.334731760016E+03 0.11089E-03 -0.10518E-04 3833 0.315E-02 0.891E-02 RMM: 8 -0.334731712978E+03 0.47038E-04 -0.32473E-05 2999 0.172E-02 0.335E-02 RMM: 9 -0.334731731276E+03 -0.18298E-04 -0.19352E-05 2556 0.128E-02 2787 T= 5687. E= 0.66925925E+03 F= 0.62220964E+03 E0= 0.65061881E+03 EK= 0.47050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335545289558E+03 -0.81358E+00 -0.22590E-01 8940 0.219E+01 0.376E-01 RMM: 2 -0.335560421373E+03 -0.15132E-01 -0.16148E-01 5577 0.813E-01 0.604E-01 RMM: 3 -0.335557288899E+03 0.31325E-02 -0.10924E-02 5565 0.211E-01 0.363E-01 RMM: 4 -0.335557820231E+03 -0.53133E-03 -0.20125E-03 5034 0.113E-01 0.482E-01 RMM: 5 -0.335556259080E+03 0.15612E-02 -0.93479E-04 4607 0.808E-02 0.114E-01 RMM: 6 -0.335556274120E+03 -0.15040E-04 -0.21321E-04 3896 0.368E-02 0.129E-01 RMM: 7 -0.335556221705E+03 0.52415E-04 -0.85211E-05 3721 0.281E-02 0.963E-02 RMM: 8 -0.335556164137E+03 0.57568E-04 -0.34815E-05 3059 0.176E-02 0.314E-02 RMM: 9 -0.335556181997E+03 -0.17860E-04 -0.19815E-05 2569 0.127E-02 2788 T= 5756. E= 0.66940337E+03 F= 0.62178475E+03 E0= 0.65019899E+03 EK= 0.47619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336402281364E+03 -0.84612E+00 -0.25620E-01 9204 0.224E+01 0.399E-01 RMM: 2 -0.336420001710E+03 -0.17720E-01 -0.17670E-01 5289 0.852E-01 0.742E-01 RMM: 3 -0.336415222778E+03 0.47789E-02 -0.14145E-02 5670 0.231E-01 0.324E-01 RMM: 4 -0.336415789926E+03 -0.56715E-03 -0.20666E-03 5022 0.110E-01 0.475E-01 RMM: 5 -0.336414292190E+03 0.14977E-02 -0.90776E-04 4610 0.790E-02 0.112E-01 RMM: 6 -0.336414281178E+03 0.11011E-04 -0.16488E-04 3880 0.316E-02 2789 T= 6049. E= 0.67136314E+03 F= 0.62132407E+03 E0= 0.64974019E+03 EK= 0.50039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337158694518E+03 -0.74440E+00 -0.29381E-01 9012 0.232E+01 0.489E-01 RMM: 2 -0.337187551273E+03 -0.28857E-01 -0.18907E-01 5495 0.882E-01 0.149E+00 RMM: 3 -0.337171358651E+03 0.16193E-01 -0.16766E-02 5404 0.288E-01 0.319E-01 RMM: 4 -0.337172970364E+03 -0.16117E-02 -0.30627E-03 5292 0.127E-01 0.599E-01 RMM: 5 -0.337170711413E+03 0.22590E-02 -0.11180E-03 4612 0.882E-02 0.197E-01 RMM: 6 -0.337170513766E+03 0.19765E-03 -0.31651E-04 3938 0.454E-02 0.111E-01 RMM: 7 -0.337170612287E+03 -0.98521E-04 -0.16197E-04 3894 0.344E-02 0.162E-01 RMM: 8 -0.337170443203E+03 0.16908E-03 -0.95070E-05 3719 0.274E-02 0.438E-02 RMM: 9 -0.337170456487E+03 -0.13283E-04 -0.33490E-05 2987 0.163E-02 2790 T= 6479. E= 0.67455199E+03 F= 0.62095733E+03 E0= 0.64937167E+03 EK= 0.53595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337666943152E+03 -0.49650E+00 -0.33533E-01 8988 0.241E+01 0.463E-01 RMM: 2 -0.337696540871E+03 -0.29598E-01 -0.19854E-01 5553 0.891E-01 0.146E+00 RMM: 3 -0.337680600184E+03 0.15941E-01 -0.15994E-02 5372 0.288E-01 0.390E-01 RMM: 4 -0.337681248277E+03 -0.64809E-03 -0.35645E-03 5314 0.140E-01 0.498E-01 RMM: 5 -0.337679780817E+03 0.14675E-02 -0.10338E-03 4611 0.849E-02 0.212E-01 RMM: 6 -0.337679483229E+03 0.29759E-03 -0.22083E-04 3895 0.382E-02 0.601E-02 RMM: 7 -0.337679539713E+03 -0.56483E-04 -0.82112E-05 3613 0.228E-02 0.113E-01 RMM: 8 -0.337679456420E+03 0.83293E-04 -0.51477E-05 3287 0.219E-02 0.284E-02 RMM: 9 -0.337679464848E+03 -0.84282E-05 -0.18194E-05 2544 0.121E-02 2791 T= 6895. E= 0.67786786E+03 F= 0.62082799E+03 E0= 0.64923759E+03 EK= 0.57040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337812245015E+03 -0.13279E+00 -0.37662E-01 8940 0.248E+01 0.430E-01 RMM: 2 -0.337835553596E+03 -0.23309E-01 -0.20515E-01 5795 0.890E-01 0.103E+00 RMM: 3 -0.337826830600E+03 0.87230E-02 -0.12080E-02 5599 0.230E-01 0.312E-01 RMM: 4 -0.337828056432E+03 -0.12258E-02 -0.25300E-03 5109 0.119E-01 0.550E-01 RMM: 5 -0.337826032578E+03 0.20239E-02 -0.10920E-03 4608 0.878E-02 0.131E-01 RMM: 6 -0.337825994002E+03 0.38576E-04 -0.20528E-04 3886 0.352E-02 0.119E-01 RMM: 7 -0.337825999188E+03 -0.51857E-05 -0.11669E-04 3878 0.290E-02 2792 T= 7121. E= 0.67996313E+03 F= 0.62105391E+03 E0= 0.64945768E+03 EK= 0.58909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337556339077E+03 0.26965E+00 -0.40090E-01 8916 0.249E+01 0.406E-01 RMM: 2 -0.337578522259E+03 -0.22183E-01 -0.21730E-01 5745 0.925E-01 0.798E-01 RMM: 3 -0.337572641977E+03 0.58803E-02 -0.13271E-02 5585 0.240E-01 0.329E-01 RMM: 4 -0.337573630677E+03 -0.98870E-03 -0.22760E-03 5099 0.115E-01 0.527E-01 RMM: 5 -0.337571765216E+03 0.18655E-02 -0.10096E-03 4608 0.838E-02 0.123E-01 RMM: 6 -0.337571831615E+03 -0.66399E-04 -0.26486E-04 3900 0.407E-02 0.160E-01 RMM: 7 -0.337571748556E+03 0.83059E-04 -0.12151E-04 3885 0.315E-02 0.116E-01 RMM: 8 -0.337571663892E+03 0.84664E-04 -0.51209E-05 3320 0.205E-02 0.343E-02 RMM: 9 -0.337571688251E+03 -0.24359E-04 -0.24187E-05 2638 0.139E-02 0.627E-02 RMM: 10 -0.337571671425E+03 0.16826E-04 -0.16729E-05 2521 0.136E-02 2793 T= 7048. E= 0.67998106E+03 F= 0.62167908E+03 E0= 0.65007915E+03 EK= 0.58302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336962487587E+03 0.60920E+00 -0.41067E-01 8868 0.246E+01 0.341E-01 RMM: 2 -0.336986566963E+03 -0.24079E-01 -0.24096E-01 5376 0.105E+00 0.666E-01 RMM: 3 -0.336982164493E+03 0.44025E-02 -0.17987E-02 5846 0.262E-01 0.283E-01 RMM: 4 -0.336982557155E+03 -0.39266E-03 -0.19806E-03 5194 0.110E-01 0.443E-01 RMM: 5 -0.336981291581E+03 0.12656E-02 -0.92482E-04 4608 0.820E-02 0.126E-01 RMM: 6 -0.336981340570E+03 -0.48989E-04 -0.29283E-04 3907 0.437E-02 0.154E-01 RMM: 7 -0.336981242371E+03 0.98198E-04 -0.11349E-04 3877 0.325E-02 0.974E-02 RMM: 8 -0.336981181182E+03 0.61189E-04 -0.28361E-05 2902 0.159E-02 0.292E-02 RMM: 9 -0.336981191237E+03 -0.10054E-04 -0.16688E-05 2507 0.114E-02 2794 T= 6713. E= 0.67817738E+03 F= 0.62264512E+03 E0= 0.65104815E+03 EK= 0.55532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336182379426E+03 0.79880E+00 -0.34575E-01 8712 0.239E+01 0.350E-01 RMM: 2 -0.336204788172E+03 -0.22409E-01 -0.20984E-01 5627 0.963E-01 0.793E-01 RMM: 3 -0.336198929438E+03 0.58587E-02 -0.14444E-02 5698 0.244E-01 0.251E-01 RMM: 4 -0.336199441523E+03 -0.51208E-03 -0.20173E-03 5124 0.114E-01 0.433E-01 RMM: 5 -0.336198217176E+03 0.12243E-02 -0.10480E-03 4607 0.876E-02 0.132E-01 RMM: 6 -0.336198395352E+03 -0.17818E-03 -0.42549E-04 4168 0.531E-02 0.212E-01 RMM: 7 -0.336198156271E+03 0.23908E-03 -0.18967E-04 3886 0.417E-02 0.100E-01 RMM: 8 -0.336198095738E+03 0.60533E-04 -0.35501E-05 3030 0.179E-02 0.390E-02 RMM: 9 -0.336198113010E+03 -0.17273E-04 -0.28959E-05 2609 0.155E-02 2795 T= 6273. E= 0.67570950E+03 F= 0.62381294E+03 E0= 0.65222765E+03 EK= 0.51897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335370941781E+03 0.82715E+00 -0.27596E-01 8580 0.232E+01 0.324E-01 RMM: 2 -0.335391345581E+03 -0.20404E-01 -0.19781E-01 5306 0.963E-01 0.698E-01 RMM: 3 -0.335386744078E+03 0.46015E-02 -0.15882E-02 5922 0.243E-01 0.245E-01 RMM: 4 -0.335386874130E+03 -0.13005E-03 -0.18205E-03 5087 0.110E-01 0.378E-01 RMM: 5 -0.335385984587E+03 0.88954E-03 -0.10457E-03 4608 0.887E-02 0.140E-01 RMM: 6 -0.335386196415E+03 -0.21183E-03 -0.37747E-04 3979 0.502E-02 0.224E-01 RMM: 7 -0.335385917979E+03 0.27844E-03 -0.18868E-04 3880 0.427E-02 0.104E-01 RMM: 8 -0.335385854054E+03 0.63924E-04 -0.43867E-05 3175 0.194E-02 0.416E-02 RMM: 9 -0.335385868174E+03 -0.14120E-04 -0.29815E-05 2581 0.161E-02 2796 T= 5903. E= 0.67385648E+03 F= 0.62501976E+03 E0= 0.65345773E+03 EK= 0.48837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334668672588E+03 0.71718E+00 -0.20808E-01 8664 0.227E+01 0.344E-01 RMM: 2 -0.334686133150E+03 -0.17461E-01 -0.14991E-01 5235 0.841E-01 0.882E-01 RMM: 3 -0.334679712811E+03 0.64203E-02 -0.12458E-02 5670 0.229E-01 0.247E-01 RMM: 4 -0.334680194037E+03 -0.48123E-03 -0.20029E-03 5134 0.114E-01 0.412E-01 RMM: 5 -0.334679134805E+03 0.10592E-02 -0.10513E-03 4604 0.890E-02 0.158E-01 RMM: 6 -0.334679165017E+03 -0.30212E-04 -0.36855E-04 3997 0.497E-02 0.176E-01 RMM: 7 -0.334679054916E+03 0.11010E-03 -0.17995E-04 3884 0.416E-02 0.123E-01 RMM: 8 -0.334678958321E+03 0.96595E-04 -0.49571E-05 3278 0.211E-02 0.378E-02 RMM: 9 -0.334678971273E+03 -0.12952E-04 -0.24213E-05 2577 0.145E-02 2797 T= 5724. E= 0.67347795E+03 F= 0.62612748E+03 E0= 0.65460107E+03 EK= 0.47350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334143359958E+03 0.53560E+00 -0.17255E-01 8400 0.226E+01 0.346E-01 RMM: 2 -0.334157394188E+03 -0.14034E-01 -0.11947E-01 5131 0.757E-01 0.854E-01 RMM: 3 -0.334151659239E+03 0.57349E-02 -0.10427E-02 5626 0.213E-01 0.246E-01 RMM: 4 -0.334152370294E+03 -0.71106E-03 -0.20601E-03 5158 0.116E-01 0.440E-01 RMM: 5 -0.334151171426E+03 0.11989E-02 -0.93140E-04 4608 0.829E-02 0.161E-01 RMM: 6 -0.334151110762E+03 0.60664E-04 -0.27541E-04 3923 0.430E-02 0.134E-01 RMM: 7 -0.334151081576E+03 0.29187E-04 -0.13206E-04 3879 0.350E-02 0.121E-01 RMM: 8 -0.334150989165E+03 0.92410E-04 -0.47896E-05 3262 0.208E-02 0.338E-02 RMM: 9 -0.334150999419E+03 -0.10253E-04 -0.17600E-05 2527 0.122E-02 2798 T= 5788. E= 0.67493807E+03 F= 0.62705580E+03 E0= 0.65557703E+03 EK= 0.47882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333799205400E+03 0.35178E+00 -0.16931E-01 7920 0.229E+01 0.370E-01 RMM: 2 -0.333814813113E+03 -0.15608E-01 -0.11789E-01 5012 0.763E-01 0.101E+00 RMM: 3 -0.333807042580E+03 0.77705E-02 -0.11191E-02 5488 0.226E-01 0.241E-01 RMM: 4 -0.333808066268E+03 -0.10237E-02 -0.22011E-03 5207 0.117E-01 0.473E-01 RMM: 5 -0.333806619037E+03 0.14472E-02 -0.84922E-04 4607 0.784E-02 0.155E-01 RMM: 6 -0.333806512452E+03 0.10659E-03 -0.23032E-04 3895 0.388E-02 0.101E-01 RMM: 7 -0.333806549873E+03 -0.37421E-04 -0.10387E-04 3836 0.291E-02 0.127E-01 RMM: 8 -0.333806445067E+03 0.10481E-03 -0.49557E-05 3286 0.212E-02 0.304E-02 RMM: 9 -0.333806454241E+03 -0.91743E-05 -0.15631E-05 2522 0.113E-02 2799 T= 6089. E= 0.67816544E+03 F= 0.62779294E+03 E0= 0.65637360E+03 EK= 0.50373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333581311646E+03 0.22513E+00 -0.17728E-01 8412 0.236E+01 0.381E-01 RMM: 2 -0.333594944555E+03 -0.13633E-01 -0.11343E-01 5263 0.730E-01 0.935E-01 RMM: 3 -0.333588436892E+03 0.65077E-02 -0.94006E-03 5514 0.210E-01 0.268E-01 RMM: 4 -0.333589485811E+03 -0.10489E-02 -0.21223E-03 5062 0.113E-01 0.491E-01 RMM: 5 -0.333587941457E+03 0.15444E-02 -0.85360E-04 4596 0.781E-02 0.146E-01 RMM: 6 -0.333587836952E+03 0.10451E-03 -0.18199E-04 3888 0.343E-02 0.882E-02 RMM: 7 -0.333587883657E+03 -0.46706E-04 -0.86435E-05 3686 0.256E-02 0.123E-01 RMM: 8 -0.333587784623E+03 0.99034E-04 -0.49995E-05 3274 0.212E-02 0.280E-02 RMM: 9 -0.333587795877E+03 -0.11254E-04 -0.16580E-05 2532 0.115E-02 2800 T= 6551. E= 0.68258510E+03 F= 0.62839144E+03 E0= 0.65704181E+03 EK= 0.54194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333389455836E+03 0.19833E+00 -0.20581E-01 8772 0.244E+01 0.401E-01 RMM: 2 -0.333407003080E+03 -0.17547E-01 -0.15100E-01 5317 0.834E-01 0.967E-01 RMM: 3 -0.333399774987E+03 0.72281E-02 -0.12310E-02 5488 0.236E-01 0.302E-01 RMM: 4 -0.333400772087E+03 -0.99710E-03 -0.23433E-03 5155 0.117E-01 0.499E-01 RMM: 5 -0.333399127568E+03 0.16445E-02 -0.86570E-04 4607 0.777E-02 0.143E-01 RMM: 6 -0.333399022929E+03 0.10464E-03 -0.16922E-04 3883 0.328E-02 0.847E-02 RMM: 7 -0.333399078267E+03 -0.55338E-04 -0.10013E-04 3830 0.261E-02 0.128E-01 RMM: 8 -0.333398972611E+03 0.10566E-03 -0.60787E-05 3409 0.227E-02 0.313E-02 RMM: 9 -0.333398983751E+03 -0.11139E-04 -0.20461E-05 2583 0.131E-02 2801 T= 7018. E= 0.68700068E+03 F= 0.62894651E+03 E0= 0.65767390E+03 EK= 0.58054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333139221146E+03 0.25975E+00 -0.24907E-01 8844 0.250E+01 0.409E-01 RMM: 2 -0.333160420335E+03 -0.21199E-01 -0.19171E-01 5352 0.934E-01 0.970E-01 RMM: 3 -0.333153207605E+03 0.72127E-02 -0.14954E-02 5589 0.256E-01 0.316E-01 RMM: 4 -0.333154097307E+03 -0.88970E-03 -0.24067E-03 5183 0.117E-01 0.501E-01 RMM: 5 -0.333152442990E+03 0.16543E-02 -0.93558E-04 4608 0.809E-02 0.146E-01 RMM: 6 -0.333152337441E+03 0.10555E-03 -0.17571E-04 3885 0.334E-02 0.906E-02 RMM: 7 -0.333152406901E+03 -0.69460E-04 -0.11376E-04 3884 0.282E-02 0.138E-01 RMM: 8 -0.333152283818E+03 0.12308E-03 -0.71007E-05 3532 0.234E-02 0.357E-02 RMM: 9 -0.333152293280E+03 -0.94617E-05 -0.23952E-05 2686 0.142E-02 2802 T= 7288. E= 0.68983950E+03 F= 0.62954959E+03 E0= 0.65835577E+03 EK= 0.60290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332808924131E+03 0.34336E+00 -0.27843E-01 8928 0.251E+01 0.392E-01 RMM: 2 -0.332831309248E+03 -0.22385E-01 -0.21281E-01 5482 0.948E-01 0.855E-01 RMM: 3 -0.332824730314E+03 0.65789E-02 -0.14352E-02 5498 0.254E-01 0.321E-01 RMM: 4 -0.332825541691E+03 -0.81138E-03 -0.22580E-03 5139 0.115E-01 0.484E-01 RMM: 5 -0.332823965905E+03 0.15758E-02 -0.84419E-04 4609 0.757E-02 0.135E-01 RMM: 6 -0.332823901240E+03 0.64665E-04 -0.17991E-04 3880 0.338E-02 0.103E-01 RMM: 7 -0.332823958277E+03 -0.57036E-04 -0.12089E-04 3896 0.288E-02 0.141E-01 RMM: 8 -0.332823832240E+03 0.12604E-03 -0.75141E-05 3582 0.245E-02 0.332E-02 RMM: 9 -0.332823843189E+03 -0.10949E-04 -0.22364E-05 2638 0.137E-02 2803 T= 7227. E= 0.69001516E+03 F= 0.63023147E+03 E0= 0.65911175E+03 EK= 0.59784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332466061372E+03 0.35777E+00 -0.28810E-01 9000 0.246E+01 0.375E-01 RMM: 2 -0.332488818107E+03 -0.22757E-01 -0.21279E-01 5723 0.919E-01 0.869E-01 RMM: 3 -0.332481574654E+03 0.72435E-02 -0.12086E-02 5526 0.239E-01 0.281E-01 RMM: 4 -0.332482459290E+03 -0.88464E-03 -0.21613E-03 5103 0.113E-01 0.474E-01 RMM: 5 -0.332480978902E+03 0.14804E-02 -0.88420E-04 4604 0.782E-02 0.135E-01 RMM: 6 -0.332480963501E+03 0.15401E-04 -0.21106E-04 3889 0.367E-02 0.131E-01 RMM: 7 -0.332480982396E+03 -0.18895E-04 -0.12383E-04 3880 0.311E-02 2804 T= 6868. E= 0.68774596E+03 F= 0.63093254E+03 E0= 0.65987638E+03 EK= 0.56813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332236816956E+03 0.24415E+00 -0.29145E-01 9072 0.238E+01 0.379E-01 RMM: 2 -0.332259346310E+03 -0.22529E-01 -0.22026E-01 5533 0.939E-01 0.779E-01 RMM: 3 -0.332253192612E+03 0.61537E-02 -0.14222E-02 5737 0.247E-01 0.300E-01 RMM: 4 -0.332254066412E+03 -0.87380E-03 -0.20314E-03 5033 0.110E-01 0.506E-01 RMM: 5 -0.332252382151E+03 0.16843E-02 -0.10316E-03 4604 0.852E-02 0.117E-01 RMM: 6 -0.332252579228E+03 -0.19708E-03 -0.34467E-04 3924 0.478E-02 0.209E-01 RMM: 7 -0.332252389345E+03 0.18988E-03 -0.15908E-04 3888 0.377E-02 0.123E-01 RMM: 8 -0.332252300596E+03 0.88748E-04 -0.60212E-05 3385 0.220E-02 0.417E-02 RMM: 9 -0.332252325117E+03 -0.24520E-04 -0.27951E-05 2733 0.152E-02 0.663E-02 RMM: 10 -0.332252309324E+03 0.15793E-04 -0.21124E-05 2539 0.144E-02 2805 T= 6386. E= 0.68436045E+03 F= 0.63153015E+03 E0= 0.66052389E+03 EK= 0.52830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332255105279E+03 -0.27802E-02 -0.28561E-01 8976 0.230E+01 0.319E-01 RMM: 2 -0.332276507331E+03 -0.21402E-01 -0.20898E-01 5713 0.907E-01 0.697E-01 RMM: 3 -0.332271139705E+03 0.53676E-02 -0.11999E-02 5781 0.220E-01 0.245E-01 RMM: 4 -0.332271618687E+03 -0.47898E-03 -0.17197E-03 4891 0.105E-01 0.412E-01 RMM: 5 -0.332270604501E+03 0.10142E-02 -0.73374E-04 4595 0.718E-02 0.158E-01 RMM: 6 -0.332270570807E+03 0.33694E-04 -0.32393E-04 3930 0.463E-02 0.143E-01 RMM: 7 -0.332270493951E+03 0.76856E-04 -0.12583E-04 3869 0.348E-02 0.937E-02 RMM: 8 -0.332270439821E+03 0.54130E-04 -0.25968E-05 2856 0.157E-02 0.319E-02 RMM: 9 -0.332270445725E+03 -0.59037E-05 -0.13076E-05 2493 0.101E-02 2806 T= 5978. E= 0.68134439E+03 F= 0.63189380E+03 E0= 0.66092471E+03 EK= 0.49451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332610166945E+03 -0.33973E+00 -0.27080E-01 9024 0.224E+01 0.370E-01 RMM: 2 -0.332629300838E+03 -0.19134E-01 -0.19214E-01 5937 0.856E-01 0.699E-01 RMM: 3 -0.332624271224E+03 0.50296E-02 -0.98407E-03 5691 0.204E-01 0.292E-01 RMM: 4 -0.332625166214E+03 -0.89499E-03 -0.19626E-03 4903 0.112E-01 0.507E-01 RMM: 5 -0.332623532681E+03 0.16335E-02 -0.10336E-03 4602 0.855E-02 0.137E-01 RMM: 6 -0.332623600256E+03 -0.67575E-04 -0.36144E-04 3965 0.486E-02 0.173E-01 RMM: 7 -0.332623482031E+03 0.11822E-03 -0.14486E-04 3875 0.370E-02 0.111E-01 RMM: 8 -0.332623405576E+03 0.76456E-04 -0.38618E-05 3099 0.185E-02 0.367E-02 RMM: 9 -0.332623425789E+03 -0.20213E-04 -0.23323E-05 2625 0.137E-02 0.612E-02 RMM: 10 -0.332623412030E+03 0.13759E-04 -0.18194E-05 2521 0.134E-02 2807 T= 5771. E= 0.67967586E+03 F= 0.63193310E+03 E0= 0.66098827E+03 EK= 0.47743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333323832751E+03 -0.70041E+00 -0.26376E-01 9060 0.223E+01 0.353E-01 RMM: 2 -0.333342339095E+03 -0.18506E-01 -0.18937E-01 5631 0.862E-01 0.646E-01 RMM: 3 -0.333337970936E+03 0.43682E-02 -0.11507E-02 5872 0.212E-01 0.286E-01 RMM: 4 -0.333338685416E+03 -0.71448E-03 -0.17610E-03 4854 0.105E-01 0.476E-01 RMM: 5 -0.333337213765E+03 0.14717E-02 -0.86660E-04 4605 0.773E-02 0.131E-01 RMM: 6 -0.333337283265E+03 -0.69500E-04 -0.29828E-04 3913 0.436E-02 0.170E-01 RMM: 7 -0.333337157632E+03 0.12563E-03 -0.11932E-04 3854 0.334E-02 0.982E-02 RMM: 8 -0.333337099392E+03 0.58240E-04 -0.32536E-05 3020 0.168E-02 0.336E-02 RMM: 9 -0.333337114786E+03 -0.15395E-04 -0.18957E-05 2538 0.124E-02 2808 T= 5818. E= 0.67974401E+03 F= 0.63161629E+03 E0= 0.66068663E+03 EK= 0.48128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334361511538E+03 -0.10244E+01 -0.25775E-01 9084 0.227E+01 0.391E-01 RMM: 2 -0.334380534450E+03 -0.19023E-01 -0.18433E-01 5610 0.850E-01 0.796E-01 RMM: 3 -0.334374731429E+03 0.58030E-02 -0.11485E-02 5690 0.217E-01 0.316E-01 RMM: 4 -0.334375711795E+03 -0.98037E-03 -0.21981E-03 4970 0.115E-01 0.529E-01 RMM: 5 -0.334373917982E+03 0.17938E-02 -0.10281E-03 4608 0.842E-02 0.139E-01 RMM: 6 -0.334373873467E+03 0.44515E-04 -0.24677E-04 3887 0.397E-02 0.120E-01 RMM: 7 -0.334373878765E+03 -0.52986E-05 -0.92138E-05 3738 0.271E-02 2809 T= 6102. E= 0.68145498E+03 F= 0.63097416E+03 E0= 0.66005223E+03 EK= 0.50481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335622672385E+03 -0.12488E+01 -0.25998E-01 9048 0.236E+01 0.429E-01 RMM: 2 -0.335643554377E+03 -0.20882E-01 -0.19303E-01 5511 0.890E-01 0.942E-01 RMM: 3 -0.335636285612E+03 0.72688E-02 -0.13331E-02 5657 0.236E-01 0.359E-01 RMM: 4 -0.335637404021E+03 -0.11184E-02 -0.27359E-03 5187 0.128E-01 0.565E-01 RMM: 5 -0.335635302164E+03 0.21019E-02 -0.11493E-03 4608 0.887E-02 0.155E-01 RMM: 6 -0.335635259273E+03 0.42890E-04 -0.26063E-04 3902 0.406E-02 0.141E-01 RMM: 7 -0.335635248662E+03 0.10611E-04 -0.13284E-04 3883 0.313E-02 2810 T= 6541. E= 0.68421352E+03 F= 0.63010008E+03 E0= 0.65918104E+03 EK= 0.54113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336962998933E+03 -0.13277E+01 -0.26214E-01 9168 0.245E+01 0.420E-01 RMM: 2 -0.336985603388E+03 -0.22604E-01 -0.21049E-01 5373 0.938E-01 0.939E-01 RMM: 3 -0.336978285569E+03 0.73178E-02 -0.16527E-02 5740 0.251E-01 0.336E-01 RMM: 4 -0.336979340150E+03 -0.10546E-02 -0.25523E-03 5133 0.121E-01 0.562E-01 RMM: 5 -0.336977350503E+03 0.19896E-02 -0.10926E-03 4614 0.866E-02 0.160E-01 RMM: 6 -0.336977229527E+03 0.12098E-03 -0.23127E-04 3890 0.382E-02 0.986E-02 RMM: 7 -0.336977278329E+03 -0.48802E-04 -0.98281E-05 3826 0.262E-02 0.133E-01 RMM: 8 -0.336977166743E+03 0.11159E-03 -0.53558E-05 3345 0.213E-02 0.369E-02 RMM: 9 -0.336977178226E+03 -0.11482E-04 -0.25050E-05 2738 0.141E-02 2811 T= 6978. E= 0.68686079E+03 F= 0.62913694E+03 E0= 0.65821661E+03 EK= 0.57724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338227551355E+03 -0.12504E+01 -0.29080E-01 9024 0.252E+01 0.427E-01 RMM: 2 -0.338252803072E+03 -0.25252E-01 -0.22466E-01 5257 0.101E+00 0.105E+00 RMM: 3 -0.338244079547E+03 0.87235E-02 -0.18670E-02 5648 0.280E-01 0.335E-01 RMM: 4 -0.338245320752E+03 -0.12412E-02 -0.26214E-03 5217 0.123E-01 0.571E-01 RMM: 5 -0.338243146501E+03 0.21743E-02 -0.99962E-04 4616 0.823E-02 0.145E-01 RMM: 6 -0.338243055728E+03 0.90773E-04 -0.22013E-04 3893 0.367E-02 0.989E-02 RMM: 7 -0.338243078607E+03 -0.22879E-04 -0.93816E-05 3775 0.257E-02 0.121E-01 RMM: 8 -0.338242983286E+03 0.95321E-04 -0.55924E-05 3344 0.217E-02 0.326E-02 RMM: 9 -0.338242992170E+03 -0.88838E-05 -0.18068E-05 2540 0.122E-02 2812 T= 7218. E= 0.68796008E+03 F= 0.62824472E+03 E0= 0.65732313E+03 EK= 0.59715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339304216025E+03 -0.10612E+01 -0.26834E-01 9000 0.253E+01 0.428E-01 RMM: 2 -0.339324976240E+03 -0.20760E-01 -0.19256E-01 5375 0.914E-01 0.948E-01 RMM: 3 -0.339317609837E+03 0.73664E-02 -0.14672E-02 5712 0.246E-01 0.339E-01 RMM: 4 -0.339318604659E+03 -0.99482E-03 -0.25640E-03 5229 0.123E-01 0.547E-01 RMM: 5 -0.339316652889E+03 0.19518E-02 -0.11334E-03 4614 0.890E-02 0.156E-01 RMM: 6 -0.339316579166E+03 0.73723E-04 -0.24946E-04 3897 0.397E-02 0.125E-01 RMM: 7 -0.339316600978E+03 -0.21811E-04 -0.12310E-04 3879 0.304E-02 0.142E-01 RMM: 8 -0.339316473263E+03 0.12771E-03 -0.58533E-05 3391 0.220E-02 0.360E-02 RMM: 9 -0.339316486697E+03 -0.13434E-04 -0.24205E-05 2700 0.139E-02 2813 T= 7140. E= 0.68661587E+03 F= 0.62754615E+03 E0= 0.65662413E+03 EK= 0.59070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340163898356E+03 -0.84743E+00 -0.25162E-01 9000 0.249E+01 0.419E-01 RMM: 2 -0.340186391090E+03 -0.22493E-01 -0.17094E-01 5402 0.864E-01 0.119E+00 RMM: 3 -0.340175194005E+03 0.11197E-01 -0.13468E-02 5522 0.247E-01 0.291E-01 RMM: 4 -0.340176399881E+03 -0.12059E-02 -0.26325E-03 5286 0.125E-01 0.536E-01 RMM: 5 -0.340174566647E+03 0.18332E-02 -0.99690E-04 4606 0.829E-02 0.180E-01 RMM: 6 -0.340174458300E+03 0.10835E-03 -0.29582E-04 3899 0.435E-02 0.135E-01 RMM: 7 -0.340174486451E+03 -0.28151E-04 -0.15301E-04 3886 0.341E-02 0.150E-01 RMM: 8 -0.340174341916E+03 0.14453E-03 -0.80355E-05 3581 0.257E-02 0.375E-02 RMM: 9 -0.340174349606E+03 -0.76900E-05 -0.20590E-05 2598 0.129E-02 2814 T= 6781. E= 0.68317043E+03 F= 0.62707198E+03 E0= 0.65615157E+03 EK= 0.56098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340875803889E+03 -0.70146E+00 -0.23613E-01 8940 0.241E+01 0.394E-01 RMM: 2 -0.340895783964E+03 -0.19980E-01 -0.15901E-01 5293 0.859E-01 0.108E+00 RMM: 3 -0.340886779775E+03 0.90042E-02 -0.13063E-02 5606 0.236E-01 0.257E-01 RMM: 4 -0.340887818658E+03 -0.10389E-02 -0.23096E-03 5186 0.120E-01 0.513E-01 RMM: 5 -0.340886137697E+03 0.16810E-02 -0.10727E-03 4608 0.877E-02 0.158E-01 RMM: 6 -0.340886182779E+03 -0.45082E-04 -0.35048E-04 3941 0.471E-02 0.183E-01 RMM: 7 -0.340886090623E+03 0.92155E-04 -0.15126E-04 3875 0.360E-02 0.139E-01 RMM: 8 -0.340885967755E+03 0.12287E-03 -0.61962E-05 3418 0.228E-02 0.350E-02 RMM: 9 -0.340885983113E+03 -0.15358E-04 -0.20016E-05 2572 0.127E-02 2815 T= 6309. E= 0.67894996E+03 F= 0.62675837E+03 E0= 0.65584173E+03 EK= 0.52192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341561789861E+03 -0.67582E+00 -0.20777E-01 8832 0.233E+01 0.386E-01 RMM: 2 -0.341579032724E+03 -0.17243E-01 -0.13041E-01 5390 0.774E-01 0.107E+00 RMM: 3 -0.341570332406E+03 0.87003E-02 -0.10507E-02 5419 0.224E-01 0.292E-01 RMM: 4 -0.341571191271E+03 -0.85886E-03 -0.24462E-03 5216 0.123E-01 0.486E-01 RMM: 5 -0.341569785526E+03 0.14057E-02 -0.10535E-03 4606 0.867E-02 0.206E-01 RMM: 6 -0.341569653513E+03 0.13201E-03 -0.38882E-04 4144 0.506E-02 0.156E-01 RMM: 7 -0.341569650653E+03 0.28600E-05 -0.17672E-04 3880 0.387E-02 2816 T= 5909. E= 0.67536780E+03 F= 0.62648856E+03 E0= 0.65557804E+03 EK= 0.48879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342328176968E+03 -0.75852E+00 -0.18156E-01 8400 0.227E+01 0.438E-01 RMM: 2 -0.342340252703E+03 -0.12076E-01 -0.10686E-01 5388 0.722E-01 0.916E-01 RMM: 3 -0.342334384028E+03 0.58687E-02 -0.92941E-03 5484 0.211E-01 0.359E-01 RMM: 4 -0.342335353701E+03 -0.96967E-03 -0.26222E-03 5266 0.128E-01 0.547E-01 RMM: 5 -0.342333468147E+03 0.18856E-02 -0.15297E-03 4618 0.107E-01 0.202E-01 RMM: 6 -0.342333402750E+03 0.65397E-04 -0.41910E-04 4120 0.535E-02 0.180E-01 RMM: 7 -0.342333401380E+03 0.13695E-05 -0.22427E-04 3886 0.425E-02 0.179E-01 RMM: 8 -0.342333199123E+03 0.20226E-03 -0.12631E-04 3860 0.329E-02 0.494E-02 RMM: 9 -0.342333212868E+03 -0.13745E-04 -0.29441E-05 2889 0.156E-02 2817 T= 5703. E= 0.67333424E+03 F= 0.62615133E+03 E0= 0.65524739E+03 EK= 0.47183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343229232993E+03 -0.89603E+00 -0.17061E-01 8004 0.225E+01 0.370E-01 RMM: 2 -0.343244656742E+03 -0.15424E-01 -0.94553E-02 5199 0.683E-01 0.118E+00 RMM: 3 -0.343234847813E+03 0.98089E-02 -0.96947E-03 5382 0.223E-01 0.262E-01 RMM: 4 -0.343235834612E+03 -0.98680E-03 -0.21063E-03 5052 0.111E-01 0.482E-01 RMM: 5 -0.343234410296E+03 0.14243E-02 -0.88027E-04 4607 0.803E-02 0.175E-01 RMM: 6 -0.343234266111E+03 0.14418E-03 -0.26632E-04 3906 0.427E-02 0.103E-01 RMM: 7 -0.343234320810E+03 -0.54698E-04 -0.10828E-04 3792 0.294E-02 0.136E-01 RMM: 8 -0.343234199102E+03 0.12171E-03 -0.55188E-05 3360 0.224E-02 0.327E-02 RMM: 9 -0.343234197022E+03 0.20808E-05 -0.96238E-06 2488 0.886E-03 2818 T= 5744. E= 0.67320337E+03 F= 0.62568200E+03 E0= 0.65478564E+03 EK= 0.47521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344258194319E+03 -0.10240E+01 -0.16509E-01 7968 0.228E+01 0.459E-01 RMM: 2 -0.344271803952E+03 -0.13610E-01 -0.78719E-02 5273 0.645E-01 0.125E+00 RMM: 3 -0.344261388050E+03 0.10416E-01 -0.92280E-03 5390 0.223E-01 0.335E-01 RMM: 4 -0.344262843975E+03 -0.14559E-02 -0.30526E-03 5290 0.134E-01 0.591E-01 RMM: 5 -0.344260776258E+03 0.20677E-02 -0.12930E-03 4608 0.983E-02 0.239E-01 RMM: 6 -0.344260440393E+03 0.33587E-03 -0.29126E-04 3903 0.443E-02 0.946E-02 RMM: 7 -0.344260516614E+03 -0.76221E-04 -0.14961E-04 3892 0.332E-02 0.144E-01 RMM: 8 -0.344260383312E+03 0.13330E-03 -0.72932E-05 3530 0.255E-02 0.413E-02 RMM: 9 -0.344260385722E+03 -0.24097E-05 -0.19328E-05 2552 0.127E-02 2819 T= 6020. E= 0.67488774E+03 F= 0.62508445E+03 E0= 0.65419657E+03 EK= 0.49803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345330800383E+03 -0.10704E+01 -0.17408E-01 8424 0.235E+01 0.448E-01 RMM: 2 -0.345346467337E+03 -0.15667E-01 -0.86045E-02 5256 0.680E-01 0.132E+00 RMM: 3 -0.345334794870E+03 0.11672E-01 -0.10040E-02 5374 0.234E-01 0.323E-01 RMM: 4 -0.345336157094E+03 -0.13622E-02 -0.30107E-03 5272 0.132E-01 0.562E-01 RMM: 5 -0.345334178731E+03 0.19784E-02 -0.11125E-03 4609 0.901E-02 0.190E-01 RMM: 6 -0.345333973527E+03 0.20520E-03 -0.23085E-04 3912 0.396E-02 0.896E-02 RMM: 7 -0.345334042360E+03 -0.68833E-04 -0.11188E-04 3835 0.281E-02 0.136E-01 RMM: 8 -0.345333930115E+03 0.11225E-03 -0.59111E-05 3396 0.228E-02 0.446E-02 RMM: 9 -0.345333927312E+03 0.28029E-05 -0.18521E-05 2554 0.125E-02 2820 T= 6456. E= 0.67783927E+03 F= 0.62443016E+03 E0= 0.65355122E+03 EK= 0.53409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346329701194E+03 -0.99577E+00 -0.19386E-01 8628 0.243E+01 0.465E-01 RMM: 2 -0.346347232759E+03 -0.17532E-01 -0.10269E-01 5244 0.752E-01 0.135E+00 RMM: 3 -0.346335018124E+03 0.12215E-01 -0.11977E-02 5427 0.247E-01 0.329E-01 RMM: 4 -0.346336627544E+03 -0.16094E-02 -0.31030E-03 5313 0.135E-01 0.602E-01 RMM: 5 -0.346334429675E+03 0.21979E-02 -0.11624E-03 4608 0.919E-02 0.222E-01 RMM: 6 -0.346334124423E+03 0.30525E-03 -0.25108E-04 3898 0.407E-02 0.774E-02 RMM: 7 -0.346334192159E+03 -0.67735E-04 -0.13148E-04 3888 0.306E-02 0.131E-01 RMM: 8 -0.346334082279E+03 0.10988E-03 -0.66444E-05 3464 0.238E-02 0.369E-02 RMM: 9 -0.346334090673E+03 -0.83940E-05 -0.22870E-05 2671 0.139E-02 2821 T= 6905. E= 0.68096094E+03 F= 0.62383775E+03 E0= 0.65296914E+03 EK= 0.57123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347134471197E+03 -0.80039E+00 -0.20952E-01 8592 0.250E+01 0.448E-01 RMM: 2 -0.347150258096E+03 -0.15787E-01 -0.11693E-01 5202 0.788E-01 0.116E+00 RMM: 3 -0.347141401279E+03 0.88568E-02 -0.12452E-02 5449 0.247E-01 0.357E-01 RMM: 4 -0.347142657165E+03 -0.12559E-02 -0.31035E-03 5277 0.134E-01 0.568E-01 RMM: 5 -0.347140520257E+03 0.21369E-02 -0.12032E-03 4610 0.929E-02 0.152E-01 RMM: 6 -0.347140417134E+03 0.10312E-03 -0.19709E-04 3891 0.356E-02 0.101E-01 RMM: 7 -0.347140450700E+03 -0.33566E-04 -0.10732E-04 3853 0.272E-02 0.128E-01 RMM: 8 -0.347140350291E+03 0.10041E-03 -0.63690E-05 3433 0.231E-02 0.417E-02 RMM: 9 -0.347140356049E+03 -0.57578E-05 -0.21921E-05 2593 0.135E-02 2822 T= 7179. E= 0.68281830E+03 F= 0.62343057E+03 E0= 0.65257359E+03 EK= 0.59388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347673936168E+03 -0.53359E+00 -0.21061E-01 8580 0.251E+01 0.433E-01 RMM: 2 -0.347688900869E+03 -0.14965E-01 -0.11357E-01 5204 0.765E-01 0.111E+00 RMM: 3 -0.347680607867E+03 0.82930E-02 -0.11745E-02 5519 0.235E-01 0.323E-01 RMM: 4 -0.347681880586E+03 -0.12727E-02 -0.27418E-03 5267 0.128E-01 0.558E-01 RMM: 5 -0.347679979180E+03 0.19014E-02 -0.10933E-03 4609 0.886E-02 0.209E-01 RMM: 6 -0.347679725840E+03 0.25334E-03 -0.25275E-04 3919 0.409E-02 0.899E-02 RMM: 7 -0.347679808600E+03 -0.82760E-04 -0.14211E-04 3886 0.320E-02 0.144E-01 RMM: 8 -0.347679675877E+03 0.13272E-03 -0.72522E-05 3556 0.250E-02 0.388E-02 RMM: 9 -0.347679680849E+03 -0.49720E-05 -0.21836E-05 2643 0.135E-02 2823 T= 7144. E= 0.68238999E+03 F= 0.62328809E+03 E0= 0.65244531E+03 EK= 0.59102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347949344015E+03 -0.26967E+00 -0.20979E-01 8676 0.247E+01 0.402E-01 RMM: 2 -0.347963366252E+03 -0.14022E-01 -0.11002E-01 5117 0.738E-01 0.102E+00 RMM: 3 -0.347955960211E+03 0.74060E-02 -0.10278E-02 5453 0.227E-01 0.301E-01 RMM: 4 -0.347957055831E+03 -0.10956E-02 -0.26484E-03 5240 0.127E-01 0.521E-01 RMM: 5 -0.347955298654E+03 0.17572E-02 -0.11491E-03 4608 0.915E-02 0.152E-01 RMM: 6 -0.347955256222E+03 0.42432E-04 -0.24046E-04 3914 0.396E-02 0.136E-01 RMM: 7 -0.347955239969E+03 0.16253E-04 -0.12019E-04 3873 0.308E-02 2824 T= 6818. E= 0.67982004E+03 F= 0.62341477E+03 E0= 0.65258800E+03 EK= 0.56405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348030396834E+03 -0.75141E-01 -0.20074E-01 8724 0.240E+01 0.410E-01 RMM: 2 -0.348044509524E+03 -0.14113E-01 -0.10920E-01 5132 0.745E-01 0.102E+00 RMM: 3 -0.348036951576E+03 0.75579E-02 -0.10205E-02 5520 0.221E-01 0.303E-01 RMM: 4 -0.348038054816E+03 -0.11032E-02 -0.27384E-03 5242 0.132E-01 0.540E-01 RMM: 5 -0.348036269044E+03 0.17858E-02 -0.13587E-03 4605 0.101E-01 0.180E-01 RMM: 6 -0.348036224500E+03 0.44544E-04 -0.33583E-04 3936 0.469E-02 0.165E-01 RMM: 7 -0.348036148103E+03 0.76397E-04 -0.16401E-04 3889 0.388E-02 0.129E-01 RMM: 8 -0.348036049730E+03 0.98373E-04 -0.61498E-05 3421 0.231E-02 0.443E-02 RMM: 9 -0.348036078747E+03 -0.29017E-04 -0.28382E-05 2814 0.151E-02 0.743E-02 RMM: 10 -0.348036058234E+03 0.20513E-04 -0.20080E-05 2543 0.142E-02 0.290E-02 RMM: 11 -0.348036054930E+03 0.33034E-05 -0.61702E-06 2439 0.751E-03 2825 T= 6354. E= 0.67630839E+03 F= 0.62374743E+03 E0= 0.65293907E+03 EK= 0.52561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348006516470E+03 0.29542E-01 -0.18590E-01 8568 0.232E+01 0.348E-01 RMM: 2 -0.348018470566E+03 -0.11954E-01 -0.10339E-01 5110 0.728E-01 0.857E-01 RMM: 3 -0.348013174028E+03 0.52965E-02 -0.96211E-03 5617 0.209E-01 0.280E-01 RMM: 4 -0.348013764198E+03 -0.59017E-03 -0.20413E-03 5106 0.115E-01 0.444E-01 RMM: 5 -0.348012582772E+03 0.11814E-02 -0.10988E-03 4609 0.910E-02 0.184E-01 RMM: 6 -0.348012483369E+03 0.99404E-04 -0.35219E-04 4014 0.492E-02 0.140E-01 RMM: 7 -0.348012461736E+03 0.21633E-04 -0.13333E-04 3860 0.347E-02 0.133E-01 RMM: 8 -0.348012347346E+03 0.11439E-03 -0.51768E-05 3320 0.216E-02 0.319E-02 RMM: 9 -0.348012349744E+03 -0.23982E-05 -0.12451E-05 2498 0.102E-02 2826 T= 5933. E= 0.67327793E+03 F= 0.62419765E+03 E0= 0.65341026E+03 EK= 0.49080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347947547975E+03 0.64799E-01 -0.17119E-01 8676 0.225E+01 0.388E-01 RMM: 2 -0.347956976313E+03 -0.94283E-02 -0.88367E-02 5297 0.658E-01 0.796E-01 RMM: 3 -0.347952438595E+03 0.45377E-02 -0.73773E-03 5615 0.182E-01 0.291E-01 RMM: 4 -0.347953476328E+03 -0.10377E-02 -0.23521E-03 5077 0.126E-01 0.525E-01 RMM: 5 -0.347951711557E+03 0.17648E-02 -0.11951E-03 4608 0.938E-02 0.129E-01 RMM: 6 -0.347951833954E+03 -0.12240E-03 -0.31385E-04 3913 0.457E-02 0.192E-01 RMM: 7 -0.347951652304E+03 0.18165E-03 -0.13954E-04 3865 0.367E-02 0.103E-01 RMM: 8 -0.347951589511E+03 0.62793E-04 -0.44489E-05 3208 0.196E-02 0.398E-02 RMM: 9 -0.347951615398E+03 -0.25887E-04 -0.24932E-05 2678 0.144E-02 0.691E-02 RMM: 10 -0.347951596245E+03 0.19153E-04 -0.17579E-05 2527 0.133E-02 2827 T= 5685. E= 0.67172793E+03 F= 0.62469472E+03 E0= 0.65392924E+03 EK= 0.47033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347873505207E+03 0.78110E-01 -0.17265E-01 8112 0.223E+01 0.365E-01 RMM: 2 -0.347883108096E+03 -0.96029E-02 -0.97233E-02 5133 0.694E-01 0.703E-01 RMM: 3 -0.347879593204E+03 0.35149E-02 -0.94129E-03 5664 0.198E-01 0.300E-01 RMM: 4 -0.347880475548E+03 -0.88234E-03 -0.20884E-03 5007 0.116E-01 0.511E-01 RMM: 5 -0.347878790600E+03 0.16849E-02 -0.11373E-03 4604 0.916E-02 0.117E-01 RMM: 6 -0.347878910470E+03 -0.11987E-03 -0.27273E-04 3885 0.427E-02 0.180E-01 RMM: 7 -0.347878738836E+03 0.17163E-03 -0.11188E-04 3855 0.331E-02 0.905E-02 RMM: 8 -0.347878689655E+03 0.49180E-04 -0.33965E-05 3049 0.172E-02 0.324E-02 RMM: 9 -0.347878708189E+03 -0.18533E-04 -0.17407E-05 2539 0.120E-02 2828 T= 5671. E= 0.67212475E+03 F= 0.62520637E+03 E0= 0.65446481E+03 EK= 0.46918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347772365454E+03 0.10632E+00 -0.16944E-01 8496 0.225E+01 0.386E-01 RMM: 2 -0.347779933862E+03 -0.75684E-02 -0.80931E-02 5340 0.611E-01 0.688E-01 RMM: 3 -0.347776719293E+03 0.32146E-02 -0.70242E-03 5595 0.175E-01 0.328E-01 RMM: 4 -0.347777525187E+03 -0.80589E-03 -0.19637E-03 4828 0.111E-01 0.506E-01 RMM: 5 -0.347775864715E+03 0.16605E-02 -0.10015E-03 4609 0.846E-02 0.123E-01 RMM: 6 -0.347775876074E+03 -0.11359E-04 -0.24613E-04 3890 0.401E-02 0.136E-01 RMM: 7 -0.347775801847E+03 0.74227E-04 -0.83502E-05 3637 0.283E-02 0.893E-02 RMM: 8 -0.347775754114E+03 0.47733E-04 -0.23552E-05 2704 0.147E-02 0.317E-02 RMM: 9 -0.347775774055E+03 -0.19941E-04 -0.20056E-05 2547 0.126E-02 2829 T= 5895. E= 0.67451160E+03 F= 0.62574161E+03 E0= 0.65502470E+03 EK= 0.48770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347588110428E+03 0.18764E+00 -0.17620E-01 8496 0.231E+01 0.386E-01 RMM: 2 -0.347597038466E+03 -0.89280E-02 -0.88009E-02 5345 0.634E-01 0.760E-01 RMM: 3 -0.347593001596E+03 0.40369E-02 -0.77100E-03 5502 0.183E-01 0.313E-01 RMM: 4 -0.347593719148E+03 -0.71755E-03 -0.19441E-03 4846 0.110E-01 0.479E-01 RMM: 5 -0.347592248321E+03 0.14708E-02 -0.86775E-04 4601 0.780E-02 0.126E-01 RMM: 6 -0.347592232335E+03 0.15986E-04 -0.18946E-04 3887 0.346E-02 2830 T= 6306. E= 0.67851127E+03 F= 0.62634371E+03 E0= 0.65565040E+03 EK= 0.52168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347260446167E+03 0.33180E+00 -0.19230E-01 8448 0.239E+01 0.478E-01 RMM: 2 -0.347284540655E+03 -0.24094E-01 -0.10482E-01 5196 0.720E-01 0.166E+00 RMM: 3 -0.347265949750E+03 0.18591E-01 -0.14633E-02 5356 0.287E-01 0.357E-01 RMM: 4 -0.347266974287E+03 -0.10245E-02 -0.30004E-03 5222 0.126E-01 0.540E-01 RMM: 5 -0.347265379906E+03 0.15944E-02 -0.10383E-03 4591 0.836E-02 0.259E-01 RMM: 6 -0.347264980708E+03 0.39920E-03 -0.41322E-04 4085 0.533E-02 0.104E-01 RMM: 7 -0.347265113166E+03 -0.13246E-03 -0.17147E-04 3888 0.352E-02 0.173E-01 RMM: 8 -0.347264927278E+03 0.18589E-03 -0.85513E-05 3672 0.270E-02 0.559E-02 RMM: 9 -0.347264922287E+03 0.49904E-05 -0.30017E-05 2918 0.155E-02 2831 T= 6784. E= 0.68319819E+03 F= 0.62707261E+03 E0= 0.65640451E+03 EK= 0.56126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346739831914E+03 0.52510E+00 -0.19762E-01 8268 0.246E+01 0.441E-01 RMM: 2 -0.346764870285E+03 -0.25038E-01 -0.10869E-01 5200 0.739E-01 0.167E+00 RMM: 3 -0.346745982599E+03 0.18888E-01 -0.14307E-02 5381 0.281E-01 0.348E-01 RMM: 4 -0.346746550089E+03 -0.56749E-03 -0.31928E-03 5281 0.131E-01 0.474E-01 RMM: 5 -0.346745486114E+03 0.10640E-02 -0.94460E-04 4598 0.822E-02 0.264E-01 RMM: 6 -0.346745031870E+03 0.45424E-03 -0.27824E-04 3898 0.442E-02 0.590E-02 RMM: 7 -0.346745091337E+03 -0.59467E-04 -0.88911E-05 3626 0.247E-02 0.116E-01 RMM: 8 -0.346745009619E+03 0.81718E-04 -0.45502E-05 3205 0.211E-02 0.366E-02 RMM: 9 -0.346745006579E+03 0.30406E-05 -0.12744E-05 2503 0.104E-02 2832 T= 7151. E= 0.68713674E+03 F= 0.62797898E+03 E0= 0.65733271E+03 EK= 0.59158E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346019385456E+03 0.72562E+00 -0.20697E-01 8280 0.249E+01 0.434E-01 RMM: 2 -0.346043778735E+03 -0.24393E-01 -0.11341E-01 5251 0.749E-01 0.160E+00 RMM: 3 -0.346025862450E+03 0.17916E-01 -0.12886E-02 5363 0.261E-01 0.298E-01 RMM: 4 -0.346026815498E+03 -0.95305E-03 -0.29107E-03 5252 0.126E-01 0.502E-01 RMM: 5 -0.346025393219E+03 0.14223E-02 -0.99091E-04 4607 0.848E-02 0.217E-01 RMM: 6 -0.346025110982E+03 0.28224E-03 -0.24279E-04 3882 0.399E-02 0.879E-02 RMM: 7 -0.346025173466E+03 -0.62484E-04 -0.13180E-04 3889 0.312E-02 0.134E-01 RMM: 8 -0.346025064330E+03 0.10914E-03 -0.61757E-05 3405 0.233E-02 0.434E-02 RMM: 9 -0.346025066619E+03 -0.22893E-05 -0.18688E-05 2549 0.122E-02 2833 T= 7239. E= 0.68896087E+03 F= 0.62907616E+03 E0= 0.65844872E+03 EK= 0.59885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345155400334E+03 0.86966E+00 -0.20804E-01 8364 0.246E+01 0.377E-01 RMM: 2 -0.345171280779E+03 -0.15880E-01 -0.11513E-01 5242 0.731E-01 0.109E+00 RMM: 3 -0.345162498620E+03 0.87822E-02 -0.10785E-02 5430 0.230E-01 0.251E-01 RMM: 4 -0.345163504751E+03 -0.10061E-02 -0.21742E-03 5069 0.113E-01 0.476E-01 RMM: 5 -0.345162099378E+03 0.14054E-02 -0.85352E-04 4608 0.783E-02 0.169E-01 RMM: 6 -0.345161983114E+03 0.11626E-03 -0.26844E-04 3889 0.423E-02 0.111E-01 RMM: 7 -0.345162032530E+03 -0.49416E-04 -0.10405E-04 3805 0.298E-02 0.140E-01 RMM: 8 -0.345161908156E+03 0.12437E-03 -0.53773E-05 3357 0.217E-02 0.332E-02 RMM: 9 -0.345161918082E+03 -0.99254E-05 -0.19096E-05 2548 0.127E-02 2834 T= 7006. E= 0.68827181E+03 F= 0.63031508E+03 E0= 0.65970167E+03 EK= 0.57957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344258261105E+03 0.90365E+00 -0.20508E-01 8124 0.240E+01 0.352E-01 RMM: 2 -0.344276486560E+03 -0.18225E-01 -0.12769E-01 5220 0.774E-01 0.112E+00 RMM: 3 -0.344266885647E+03 0.96009E-02 -0.11087E-02 5424 0.231E-01 0.270E-01 RMM: 4 -0.344267498014E+03 -0.61237E-03 -0.22453E-03 5113 0.116E-01 0.433E-01 RMM: 5 -0.344266460779E+03 0.10372E-02 -0.10961E-03 4603 0.920E-02 0.192E-01 RMM: 6 -0.344266298050E+03 0.16273E-03 -0.27881E-04 3889 0.432E-02 0.121E-01 RMM: 7 -0.344266313660E+03 -0.15610E-04 -0.16212E-04 3879 0.379E-02 2835 T= 6568. E= 0.68593062E+03 F= 0.63159187E+03 E0= 0.66098803E+03 EK= 0.54339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343452432054E+03 0.81387E+00 -0.19325E-01 8508 0.231E+01 0.382E-01 RMM: 2 -0.343464984008E+03 -0.12552E-01 -0.11910E-01 5326 0.739E-01 0.785E-01 RMM: 3 -0.343460109451E+03 0.48746E-02 -0.93650E-03 5493 0.206E-01 0.303E-01 RMM: 4 -0.343461176093E+03 -0.10666E-02 -0.23581E-03 5091 0.125E-01 0.529E-01 RMM: 5 -0.343459469056E+03 0.17070E-02 -0.12413E-03 4609 0.948E-02 0.181E-01 RMM: 6 -0.343459471446E+03 -0.23900E-05 -0.44709E-04 4369 0.542E-02 0.191E-01 RMM: 7 -0.343459330771E+03 0.14068E-03 -0.24957E-04 3907 0.480E-02 0.124E-01 RMM: 8 -0.343459242934E+03 0.87837E-04 -0.62542E-05 3429 0.239E-02 0.479E-02 RMM: 9 -0.343459273864E+03 -0.30930E-04 -0.37692E-05 3030 0.173E-02 0.766E-02 RMM: 10 -0.343459250224E+03 0.23640E-04 -0.27013E-05 2638 0.162E-02 0.273E-02 RMM: 11 -0.343459248098E+03 0.21267E-05 -0.59628E-06 2442 0.713E-03 2836 T= 6116. E= 0.68338850E+03 F= 0.63278913E+03 E0= 0.66219109E+03 EK= 0.50599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342824714083E+03 0.63454E+00 -0.18566E-01 8364 0.224E+01 0.303E-01 RMM: 2 -0.342840408791E+03 -0.15695E-01 -0.12720E-01 5130 0.770E-01 0.915E-01 RMM: 3 -0.342833888981E+03 0.65198E-02 -0.11001E-02 5653 0.213E-01 0.237E-01 RMM: 4 -0.342834091185E+03 -0.20220E-03 -0.16455E-03 4911 0.100E-01 0.347E-01 RMM: 5 -0.342833517977E+03 0.57321E-03 -0.92294E-04 4608 0.860E-02 0.203E-01 RMM: 6 -0.342833297858E+03 0.22012E-03 -0.27654E-04 3910 0.433E-02 0.992E-02 RMM: 7 -0.342833321220E+03 -0.23362E-04 -0.13198E-04 3860 0.352E-02 0.121E-01 RMM: 8 -0.342833230303E+03 0.90917E-04 -0.42468E-05 3203 0.199E-02 0.286E-02 RMM: 9 -0.342833232144E+03 -0.18409E-05 -0.10479E-05 2480 0.960E-03 2837 T= 5807. E= 0.68185658E+03 F= 0.63381343E+03 E0= 0.66322033E+03 EK= 0.48043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342426853108E+03 0.40638E+00 -0.18137E-01 8748 0.220E+01 0.369E-01 RMM: 2 -0.342438027235E+03 -0.11174E-01 -0.11811E-01 5362 0.704E-01 0.629E-01 RMM: 3 -0.342434613740E+03 0.34135E-02 -0.88318E-03 5516 0.194E-01 0.327E-01 RMM: 4 -0.342435511219E+03 -0.89748E-03 -0.19630E-03 4977 0.112E-01 0.519E-01 RMM: 5 -0.342433769414E+03 0.17418E-02 -0.93818E-04 4605 0.816E-02 0.112E-01 RMM: 6 -0.342433845883E+03 -0.76469E-04 -0.28648E-04 3897 0.434E-02 0.161E-01 RMM: 7 -0.342433721175E+03 0.12471E-03 -0.12599E-04 3870 0.348E-02 0.861E-02 RMM: 8 -0.342433679990E+03 0.41186E-04 -0.29564E-05 2886 0.164E-02 0.386E-02 RMM: 9 -0.342433701606E+03 -0.21617E-04 -0.23395E-05 2596 0.138E-02 0.630E-02 RMM: 10 -0.342433684148E+03 0.17458E-04 -0.17149E-05 2519 0.132E-02 2838 T= 5727. E= 0.68199526E+03 F= 0.63461430E+03 E0= 0.66402419E+03 EK= 0.47381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342245871865E+03 0.18783E+00 -0.19792E-01 8508 0.220E+01 0.334E-01 RMM: 2 -0.342260434223E+03 -0.14562E-01 -0.15151E-01 5196 0.801E-01 0.585E-01 RMM: 3 -0.342257142277E+03 0.32919E-02 -0.12193E-02 5658 0.212E-01 0.314E-01 RMM: 4 -0.342257717588E+03 -0.57531E-03 -0.18930E-03 5044 0.110E-01 0.468E-01 RMM: 5 -0.342256277436E+03 0.14402E-02 -0.90905E-04 4603 0.802E-02 0.929E-02 RMM: 6 -0.342256356097E+03 -0.78661E-04 -0.18223E-04 3878 0.342E-02 0.147E-01 RMM: 7 -0.342256249399E+03 0.10670E-03 -0.82391E-05 3690 0.276E-02 0.776E-02 RMM: 8 -0.342256215985E+03 0.33413E-04 -0.25078E-05 2799 0.151E-02 0.314E-02 RMM: 9 -0.342256231172E+03 -0.15187E-04 -0.16435E-05 2511 0.116E-02 2839 T= 5897. E= 0.68397518E+03 F= 0.63518889E+03 E0= 0.66460316E+03 EK= 0.48786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342244957242E+03 0.11259E-01 -0.21832E-01 8976 0.226E+01 0.370E-01 RMM: 2 -0.342258786892E+03 -0.13830E-01 -0.14787E-01 5428 0.768E-01 0.618E-01 RMM: 3 -0.342255300906E+03 0.34860E-02 -0.10664E-02 5573 0.209E-01 0.365E-01 RMM: 4 -0.342255800014E+03 -0.49911E-03 -0.17908E-03 4879 0.102E-01 0.478E-01 RMM: 5 -0.342254324168E+03 0.14758E-02 -0.79802E-04 4598 0.736E-02 0.125E-01 RMM: 6 -0.342254272177E+03 0.51991E-04 -0.19255E-04 3895 0.350E-02 0.981E-02 RMM: 7 -0.342254241981E+03 0.30196E-04 -0.67207E-05 3500 0.241E-02 0.772E-02 RMM: 8 -0.342254210282E+03 0.31699E-04 -0.24593E-05 2715 0.151E-02 0.345E-02 RMM: 9 -0.342254225699E+03 -0.15417E-04 -0.18689E-05 2538 0.120E-02 2840 T= 6278. E= 0.68751482E+03 F= 0.63557735E+03 E0= 0.66499687E+03 EK= 0.51937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342336509434E+03 -0.82299E-01 -0.27614E-01 9096 0.233E+01 0.366E-01 RMM: 2 -0.342353832747E+03 -0.17323E-01 -0.18920E-01 5252 0.873E-01 0.530E-01 RMM: 3 -0.342350873020E+03 0.29597E-02 -0.13740E-02 5633 0.233E-01 0.400E-01 RMM: 4 -0.342350981396E+03 -0.10838E-03 -0.17032E-03 4952 0.978E-02 0.460E-01 RMM: 5 -0.342349608242E+03 0.13732E-02 -0.79144E-04 4590 0.725E-02 0.945E-02 RMM: 6 -0.342349638575E+03 -0.30333E-04 -0.17229E-04 3878 0.327E-02 0.124E-01 RMM: 7 -0.342349574737E+03 0.63839E-04 -0.76594E-05 3555 0.248E-02 0.795E-02 RMM: 8 -0.342349542732E+03 0.32004E-04 -0.29354E-05 2880 0.161E-02 0.374E-02 RMM: 9 -0.342349556923E+03 -0.14191E-04 -0.20598E-05 2541 0.128E-02 2841 T= 6759. E= 0.69177249E+03 F= 0.63585456E+03 E0= 0.66528093E+03 EK= 0.55918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342438724021E+03 -0.89181E-01 -0.32352E-01 9096 0.241E+01 0.374E-01 RMM: 2 -0.342457317449E+03 -0.18593E-01 -0.19351E-01 5643 0.844E-01 0.665E-01 RMM: 3 -0.342452694974E+03 0.46225E-02 -0.10641E-02 5517 0.215E-01 0.354E-01 RMM: 4 -0.342453348090E+03 -0.65312E-03 -0.19180E-03 4813 0.104E-01 0.488E-01 RMM: 5 -0.342451775914E+03 0.15722E-02 -0.84901E-04 4595 0.746E-02 0.110E-01 RMM: 6 -0.342451768789E+03 0.71251E-05 -0.18413E-04 3883 0.337E-02 2842 T= 7159. E= 0.69533968E+03 F= 0.63611220E+03 E0= 0.66554534E+03 EK= 0.59227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342474419713E+03 -0.22644E-01 -0.38894E-01 8964 0.245E+01 0.474E-01 RMM: 2 -0.342519328019E+03 -0.44908E-01 -0.23157E-01 5515 0.941E-01 0.202E+00 RMM: 3 -0.342490932335E+03 0.28396E-01 -0.18977E-02 5362 0.312E-01 0.395E-01 RMM: 4 -0.342491085084E+03 -0.15275E-03 -0.35641E-03 5306 0.135E-01 0.432E-01 RMM: 5 -0.342490109682E+03 0.97540E-03 -0.91764E-04 4599 0.763E-02 0.238E-01 RMM: 6 -0.342489787792E+03 0.32189E-03 -0.29196E-04 3893 0.438E-02 0.101E-01 RMM: 7 -0.342489930928E+03 -0.14314E-03 -0.20187E-04 3894 0.371E-02 0.176E-01 RMM: 8 -0.342489740762E+03 0.19017E-03 -0.11305E-04 3826 0.307E-02 0.532E-02 RMM: 9 -0.342489736338E+03 0.44239E-05 -0.24791E-05 2772 0.142E-02 2843 T= 7293. E= 0.69675919E+03 F= 0.63642670E+03 E0= 0.66586822E+03 EK= 0.60332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342428660562E+03 0.61080E-01 -0.43282E-01 8784 0.244E+01 0.447E-01 RMM: 2 -0.342475925837E+03 -0.47265E-01 -0.23713E-01 5644 0.931E-01 0.207E+00 RMM: 3 -0.342445561936E+03 0.30364E-01 -0.17718E-02 5362 0.303E-01 0.355E-01 RMM: 4 -0.342445646142E+03 -0.84205E-04 -0.33750E-03 5308 0.131E-01 0.395E-01 RMM: 5 -0.342445014775E+03 0.63137E-03 -0.82885E-04 4608 0.739E-02 0.265E-01 RMM: 6 -0.342444558267E+03 0.45651E-03 -0.30330E-04 3924 0.457E-02 0.762E-02 RMM: 7 -0.342444670724E+03 -0.11246E-03 -0.15627E-04 3880 0.326E-02 0.149E-01 RMM: 8 -0.342444533898E+03 0.13683E-03 -0.71885E-05 3523 0.251E-02 0.450E-02 RMM: 9 -0.342444525185E+03 0.87130E-05 -0.13793E-05 2515 0.106E-02 2844 T= 7090. E= 0.69547687E+03 F= 0.63682447E+03 E0= 0.66627371E+03 EK= 0.58652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342333236482E+03 0.11130E+00 -0.44396E-01 8796 0.239E+01 0.417E-01 RMM: 2 -0.342370959881E+03 -0.37723E-01 -0.23338E-01 5744 0.923E-01 0.166E+00 RMM: 3 -0.342350409041E+03 0.20551E-01 -0.15111E-02 5373 0.274E-01 0.363E-01 RMM: 4 -0.342350330405E+03 0.78636E-04 -0.27341E-03 5181 0.119E-01 0.365E-01 RMM: 5 -0.342349731604E+03 0.59880E-03 -0.97493E-04 4608 0.825E-02 0.246E-01 RMM: 6 -0.342349404641E+03 0.32696E-03 -0.35332E-04 3909 0.482E-02 0.115E-01 RMM: 7 -0.342349521306E+03 -0.11666E-03 -0.20473E-04 3890 0.389E-02 0.173E-01 RMM: 8 -0.342349331197E+03 0.19011E-03 -0.10076E-04 3741 0.295E-02 0.499E-02 RMM: 9 -0.342349326136E+03 0.50611E-05 -0.19787E-05 2569 0.129E-02 2845 T= 6650. E= 0.69228976E+03 F= 0.63727943E+03 E0= 0.66673822E+03 EK= 0.55010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342248405720E+03 0.10093E+00 -0.41262E-01 8916 0.231E+01 0.379E-01 RMM: 2 -0.342278148601E+03 -0.29743E-01 -0.22267E-01 5643 0.911E-01 0.126E+00 RMM: 3 -0.342265008080E+03 0.13141E-01 -0.13635E-02 5423 0.248E-01 0.269E-01 RMM: 4 -0.342265536884E+03 -0.52880E-03 -0.24187E-03 5095 0.115E-01 0.430E-01 RMM: 5 -0.342264472411E+03 0.10645E-02 -0.10355E-03 4605 0.867E-02 0.186E-01 RMM: 6 -0.342264393115E+03 0.79296E-04 -0.32788E-04 3929 0.463E-02 0.152E-01 RMM: 7 -0.342264370911E+03 0.22203E-04 -0.16105E-04 3876 0.375E-02 0.139E-01 RMM: 8 -0.342264248407E+03 0.12250E-03 -0.63687E-05 3455 0.234E-02 0.375E-02 RMM: 9 -0.342264262207E+03 -0.13800E-04 -0.18881E-05 2552 0.123E-02 2846 T= 6164. E= 0.68872698E+03 F= 0.63773576E+03 E0= 0.66720653E+03 EK= 0.50991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342225772677E+03 0.38476E-01 -0.36118E-01 9012 0.225E+01 0.368E-01 RMM: 2 -0.342251553099E+03 -0.25780E-01 -0.20107E-01 5524 0.884E-01 0.116E+00 RMM: 3 -0.342240814234E+03 0.10739E-01 -0.13115E-02 5473 0.246E-01 0.317E-01 RMM: 4 -0.342240971005E+03 -0.15677E-03 -0.22903E-03 5080 0.113E-01 0.380E-01 RMM: 5 -0.342240250106E+03 0.72090E-03 -0.10220E-03 4608 0.863E-02 0.229E-01 RMM: 6 -0.342239987000E+03 0.26311E-03 -0.33964E-04 3939 0.475E-02 0.121E-01 RMM: 7 -0.342240046455E+03 -0.59455E-04 -0.19651E-04 3887 0.397E-02 0.153E-01 RMM: 8 -0.342239895657E+03 0.15080E-03 -0.88201E-05 3663 0.277E-02 0.394E-02 RMM: 9 -0.342239899759E+03 -0.41016E-05 -0.18768E-05 2559 0.124E-02 2847 T= 5801. E= 0.68613403E+03 F= 0.63814277E+03 E0= 0.66763096E+03 EK= 0.47991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342290794378E+03 -0.50899E-01 -0.30547E-01 9036 0.222E+01 0.368E-01 RMM: 2 -0.342311323374E+03 -0.20529E-01 -0.17558E-01 5566 0.827E-01 0.971E-01 RMM: 3 -0.342303394349E+03 0.79290E-02 -0.11060E-02 5545 0.219E-01 0.262E-01 RMM: 4 -0.342304177584E+03 -0.78324E-03 -0.21663E-03 4963 0.112E-01 0.467E-01 RMM: 5 -0.342302778445E+03 0.13991E-02 -0.10371E-03 4608 0.867E-02 0.137E-01 RMM: 6 -0.342302834116E+03 -0.55671E-04 -0.27781E-04 3907 0.421E-02 0.168E-01 RMM: 7 -0.342302739536E+03 0.94580E-04 -0.13429E-04 3870 0.341E-02 0.122E-01 RMM: 8 -0.342302647340E+03 0.92196E-04 -0.54928E-05 3375 0.215E-02 0.359E-02 RMM: 9 -0.342302657858E+03 -0.10518E-04 -0.17200E-05 2533 0.117E-02 2848 T= 5658. E= 0.68527885E+03 F= 0.63846950E+03 E0= 0.66798024E+03 EK= 0.46809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342448590814E+03 -0.14594E+00 -0.26942E-01 9108 0.223E+01 0.368E-01 RMM: 2 -0.342468745633E+03 -0.20155E-01 -0.16372E-01 5556 0.806E-01 0.102E+00 RMM: 3 -0.342460428522E+03 0.83171E-02 -0.11178E-02 5456 0.223E-01 0.314E-01 RMM: 4 -0.342461008308E+03 -0.57979E-03 -0.23830E-03 5039 0.117E-01 0.445E-01 RMM: 5 -0.342459840114E+03 0.11682E-02 -0.96797E-04 4609 0.822E-02 0.199E-01 RMM: 6 -0.342459644881E+03 0.19523E-03 -0.29844E-04 3917 0.444E-02 0.111E-01 RMM: 7 -0.342459733835E+03 -0.88954E-04 -0.14962E-04 3888 0.335E-02 0.158E-01 RMM: 8 -0.342459571649E+03 0.16219E-03 -0.76508E-05 3592 0.256E-02 0.415E-02 RMM: 9 -0.342459571522E+03 0.12708E-06 -0.17435E-05 2546 0.119E-02 2849 T= 5767. E= 0.68641369E+03 F= 0.63870151E+03 E0= 0.66824094E+03 EK= 0.47712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342696565086E+03 -0.23699E+00 -0.24167E-01 9132 0.229E+01 0.389E-01 RMM: 2 -0.342717742381E+03 -0.21177E-01 -0.15349E-01 5685 0.783E-01 0.120E+00 RMM: 3 -0.342707171118E+03 0.10571E-01 -0.10533E-02 5416 0.224E-01 0.289E-01 RMM: 4 -0.342707994066E+03 -0.82295E-03 -0.24546E-03 5045 0.117E-01 0.468E-01 RMM: 5 -0.342706682527E+03 0.13115E-02 -0.88680E-04 4600 0.775E-02 0.193E-01 RMM: 6 -0.342706496588E+03 0.18594E-03 -0.25269E-04 3898 0.406E-02 0.110E-01 RMM: 7 -0.342706570763E+03 -0.74175E-04 -0.16176E-04 3884 0.341E-02 0.151E-01 RMM: 8 -0.342706428375E+03 0.14239E-03 -0.80936E-05 3606 0.262E-02 0.464E-02 RMM: 9 -0.342706422872E+03 0.55033E-05 -0.16909E-05 2543 0.117E-02 2850 T= 6108. E= 0.68936912E+03 F= 0.63883552E+03 E0= 0.66840848E+03 EK= 0.50534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343023237193E+03 -0.31681E+00 -0.23340E-01 9156 0.238E+01 0.412E-01 RMM: 2 -0.343048549430E+03 -0.25312E-01 -0.15562E-01 5632 0.809E-01 0.145E+00 RMM: 3 -0.343033976142E+03 0.14573E-01 -0.12471E-02 5392 0.249E-01 0.331E-01 RMM: 4 -0.343034516579E+03 -0.54044E-03 -0.27225E-03 5152 0.121E-01 0.445E-01 RMM: 5 -0.343033466646E+03 0.10499E-02 -0.83509E-04 4593 0.746E-02 0.236E-01 RMM: 6 -0.343033122379E+03 0.34427E-03 -0.27128E-04 3899 0.428E-02 0.891E-02 RMM: 7 -0.343033241924E+03 -0.11954E-03 -0.16819E-04 3888 0.335E-02 0.161E-01 RMM: 8 -0.343033082837E+03 0.15909E-03 -0.87585E-05 3672 0.271E-02 0.519E-02 RMM: 9 -0.343033072544E+03 0.10293E-04 -0.21437E-05 2633 0.134E-02 2851 T= 6599. E= 0.69346431E+03 F= 0.63887685E+03 E0= 0.66848723E+03 EK= 0.54587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343402735906E+03 -0.36965E+00 -0.23518E-01 9108 0.248E+01 0.434E-01 RMM: 2 -0.343433273119E+03 -0.30537E-01 -0.15966E-01 5531 0.843E-01 0.169E+00 RMM: 3 -0.343413518330E+03 0.19755E-01 -0.13574E-02 5393 0.259E-01 0.302E-01 RMM: 4 -0.343414239223E+03 -0.72089E-03 -0.31070E-03 5261 0.130E-01 0.467E-01 RMM: 5 -0.343413003187E+03 0.12360E-02 -0.90048E-04 4600 0.782E-02 0.208E-01 RMM: 6 -0.343412744228E+03 0.25896E-03 -0.22971E-04 3897 0.391E-02 0.914E-02 RMM: 7 -0.343412835996E+03 -0.91768E-04 -0.16286E-04 3888 0.330E-02 0.149E-01 RMM: 8 -0.343412704448E+03 0.13155E-03 -0.80001E-05 3593 0.256E-02 0.574E-02 RMM: 9 -0.343412689694E+03 0.14754E-04 -0.20360E-05 2572 0.129E-02 2852 T= 7076. E= 0.69739185E+03 F= 0.63885191E+03 E0= 0.66850036E+03 EK= 0.58540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343781907816E+03 -0.36920E+00 -0.24113E-01 8880 0.255E+01 0.414E-01 RMM: 2 -0.343806895490E+03 -0.24988E-01 -0.16558E-01 5418 0.862E-01 0.139E+00 RMM: 3 -0.343793435084E+03 0.13460E-01 -0.14218E-02 5417 0.264E-01 0.334E-01 RMM: 4 -0.343794431741E+03 -0.99666E-03 -0.28279E-03 5148 0.124E-01 0.516E-01 RMM: 5 -0.343792812335E+03 0.16194E-02 -0.85697E-04 4591 0.742E-02 0.189E-01 RMM: 6 -0.343792610149E+03 0.20219E-03 -0.22048E-04 3886 0.380E-02 0.881E-02 RMM: 7 -0.343792711967E+03 -0.10182E-03 -0.14228E-04 3888 0.307E-02 0.155E-01 RMM: 8 -0.343792558687E+03 0.15328E-03 -0.79372E-05 3619 0.252E-02 0.374E-02 RMM: 9 -0.343792563632E+03 -0.49456E-05 -0.21499E-05 2609 0.133E-02 2853 T= 7337. E= 0.69951287E+03 F= 0.63881755E+03 E0= 0.66850229E+03 EK= 0.60695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344100830711E+03 -0.30827E+00 -0.24027E-01 9024 0.258E+01 0.410E-01 RMM: 2 -0.344121901081E+03 -0.21070E-01 -0.15094E-01 5426 0.835E-01 0.125E+00 RMM: 3 -0.344111026619E+03 0.10874E-01 -0.12106E-02 5488 0.236E-01 0.319E-01 RMM: 4 -0.344111806967E+03 -0.78035E-03 -0.27618E-03 5237 0.126E-01 0.490E-01 RMM: 5 -0.344110364755E+03 0.14422E-02 -0.94451E-04 4608 0.819E-02 0.188E-01 RMM: 6 -0.344110158262E+03 0.20649E-03 -0.19961E-04 3891 0.357E-02 0.870E-02 RMM: 7 -0.344110233802E+03 -0.75540E-04 -0.14630E-04 3885 0.317E-02 0.140E-01 RMM: 8 -0.344110112239E+03 0.12156E-03 -0.71345E-05 3518 0.242E-02 0.454E-02 RMM: 9 -0.344110108618E+03 0.36210E-05 -0.19536E-05 2553 0.125E-02 2854 T= 7246. E= 0.69878693E+03 F= 0.63884354E+03 E0= 0.66855982E+03 EK= 0.59943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344327580952E+03 -0.21747E+00 -0.23682E-01 9012 0.255E+01 0.431E-01 RMM: 2 -0.344352856974E+03 -0.25276E-01 -0.14855E-01 5276 0.852E-01 0.149E+00 RMM: 3 -0.344337382436E+03 0.15475E-01 -0.14586E-02 5464 0.265E-01 0.320E-01 RMM: 4 -0.344337977789E+03 -0.59535E-03 -0.28110E-03 5213 0.124E-01 0.462E-01 RMM: 5 -0.344336804092E+03 0.11737E-02 -0.91241E-04 4604 0.792E-02 0.232E-01 RMM: 6 -0.344336481448E+03 0.32264E-03 -0.29332E-04 3929 0.444E-02 0.904E-02 RMM: 7 -0.344336598819E+03 -0.11737E-03 -0.16328E-04 3884 0.331E-02 0.163E-01 RMM: 8 -0.344336437303E+03 0.16152E-03 -0.85069E-05 3638 0.265E-02 0.500E-02 RMM: 9 -0.344336428729E+03 0.85741E-05 -0.20781E-05 2622 0.131E-02 2855 T= 6845. E= 0.69559418E+03 F= 0.63896659E+03 E0= 0.66870835E+03 EK= 0.56628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344499503689E+03 -0.16307E+00 -0.21596E-01 8796 0.247E+01 0.403E-01 RMM: 2 -0.344521300814E+03 -0.21797E-01 -0.12880E-01 5368 0.783E-01 0.141E+00 RMM: 3 -0.344507999499E+03 0.13301E-01 -0.11724E-02 5495 0.236E-01 0.301E-01 RMM: 4 -0.344508594945E+03 -0.59545E-03 -0.24801E-03 5163 0.119E-01 0.452E-01 RMM: 5 -0.344507488962E+03 0.11060E-02 -0.90244E-04 4605 0.799E-02 0.226E-01 RMM: 6 -0.344507206473E+03 0.28249E-03 -0.30057E-04 3930 0.451E-02 0.104E-01 RMM: 7 -0.344507334557E+03 -0.12808E-03 -0.17403E-04 3880 0.352E-02 0.174E-01 RMM: 8 -0.344507144156E+03 0.19040E-03 -0.92884E-05 3663 0.278E-02 0.462E-02 RMM: 9 -0.344507139627E+03 0.45292E-05 -0.19829E-05 2578 0.127E-02 2856 T= 6321. E= 0.69144446E+03 F= 0.63915686E+03 E0= 0.66891722E+03 EK= 0.52288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344706342679E+03 -0.19920E+00 -0.19410E-01 8652 0.238E+01 0.387E-01 RMM: 2 -0.344727850643E+03 -0.21508E-01 -0.11501E-01 5438 0.725E-01 0.143E+00 RMM: 3 -0.344713683220E+03 0.14167E-01 -0.10466E-02 5383 0.231E-01 0.305E-01 RMM: 4 -0.344714105435E+03 -0.42222E-03 -0.23028E-03 5039 0.114E-01 0.409E-01 RMM: 5 -0.344713245576E+03 0.85986E-03 -0.86736E-04 4604 0.787E-02 0.242E-01 RMM: 6 -0.344712933536E+03 0.31204E-03 -0.32718E-04 3969 0.472E-02 0.114E-01 RMM: 7 -0.344713041665E+03 -0.10813E-03 -0.20033E-04 3892 0.386E-02 0.172E-01 RMM: 8 -0.344712856249E+03 0.18542E-03 -0.10079E-04 3725 0.294E-02 0.451E-02 RMM: 9 -0.344712854455E+03 0.17940E-05 -0.18455E-05 2555 0.123E-02 2857 T= 5876. E= 0.68793220E+03 F= 0.63932537E+03 E0= 0.66909835E+03 EK= 0.48607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345053294535E+03 -0.34044E+00 -0.17867E-01 8568 0.231E+01 0.383E-01 RMM: 2 -0.345073757149E+03 -0.20463E-01 -0.10517E-01 5366 0.707E-01 0.142E+00 RMM: 3 -0.345060018054E+03 0.13739E-01 -0.10138E-02 5393 0.228E-01 0.304E-01 RMM: 4 -0.345060254508E+03 -0.23645E-03 -0.21919E-03 5000 0.112E-01 0.385E-01 RMM: 5 -0.345059536136E+03 0.71837E-03 -0.96577E-04 4604 0.849E-02 0.235E-01 RMM: 6 -0.345059246175E+03 0.28996E-03 -0.31642E-04 3936 0.459E-02 0.116E-01 RMM: 7 -0.345059352998E+03 -0.10682E-03 -0.19213E-04 3880 0.390E-02 0.174E-01 RMM: 8 -0.345059166421E+03 0.18658E-03 -0.90795E-05 3643 0.280E-02 0.447E-02 RMM: 9 -0.345059166284E+03 0.13674E-06 -0.17848E-05 2543 0.121E-02 2858 T= 5645. E= 0.68606495E+03 F= 0.63936333E+03 E0= 0.66914399E+03 EK= 0.46702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345621435398E+03 -0.56227E+00 -0.16416E-01 8412 0.228E+01 0.357E-01 RMM: 2 -0.345636204211E+03 -0.14769E-01 -0.97338E-02 5357 0.677E-01 0.110E+00 RMM: 3 -0.345627719563E+03 0.84846E-02 -0.90002E-03 5413 0.208E-01 0.285E-01 RMM: 4 -0.345628273490E+03 -0.55393E-03 -0.20471E-03 4905 0.110E-01 0.420E-01 RMM: 5 -0.345627275963E+03 0.99753E-03 -0.85451E-04 4594 0.787E-02 0.207E-01 RMM: 6 -0.345627070695E+03 0.20527E-03 -0.26583E-04 3892 0.422E-02 0.114E-01 RMM: 7 -0.345627116783E+03 -0.46088E-04 -0.15415E-04 3888 0.359E-02 0.143E-01 RMM: 8 -0.345626990315E+03 0.12647E-03 -0.66916E-05 3453 0.242E-02 0.373E-02 RMM: 9 -0.345626995115E+03 -0.47991E-05 -0.17720E-05 2519 0.122E-02 2859 T= 5688. E= 0.68623564E+03 F= 0.63918284E+03 E0= 0.66896774E+03 EK= 0.47053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346443331502E+03 -0.81634E+00 -0.16201E-01 7908 0.230E+01 0.374E-01 RMM: 2 -0.346461093561E+03 -0.17762E-01 -0.10002E-01 5229 0.702E-01 0.128E+00 RMM: 3 -0.346449680471E+03 0.11413E-01 -0.10232E-02 5421 0.221E-01 0.279E-01 RMM: 4 -0.346450309086E+03 -0.62862E-03 -0.22984E-03 5004 0.115E-01 0.439E-01 RMM: 5 -0.346449217721E+03 0.10914E-02 -0.86974E-04 4593 0.793E-02 0.190E-01 RMM: 6 -0.346449028164E+03 0.18956E-03 -0.20671E-04 3884 0.369E-02 0.905E-02 RMM: 7 -0.346449102245E+03 -0.74081E-04 -0.11675E-04 3854 0.298E-02 0.140E-01 RMM: 8 -0.346448979772E+03 0.12247E-03 -0.56556E-05 3378 0.225E-02 0.370E-02 RMM: 9 -0.346448979757E+03 0.15210E-07 -0.13067E-05 2506 0.102E-02 2860 T= 5999. E= 0.68836853E+03 F= 0.63874323E+03 E0= 0.66853027E+03 EK= 0.49625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347481617625E+03 -0.10326E+01 -0.17157E-01 8100 0.237E+01 0.380E-01 RMM: 2 -0.347493882650E+03 -0.12265E-01 -0.89260E-02 5329 0.667E-01 0.102E+00 RMM: 3 -0.347486971160E+03 0.69115E-02 -0.84968E-03 5389 0.206E-01 0.321E-01 RMM: 4 -0.347487861866E+03 -0.89071E-03 -0.22162E-03 5005 0.114E-01 0.487E-01 RMM: 5 -0.347486424020E+03 0.14378E-02 -0.81384E-04 4588 0.752E-02 0.189E-01 RMM: 6 -0.347486213420E+03 0.21060E-03 -0.19151E-04 3883 0.360E-02 0.779E-02 RMM: 7 -0.347486291491E+03 -0.78071E-04 -0.11171E-04 3837 0.279E-02 0.136E-01 RMM: 8 -0.347486177007E+03 0.11448E-03 -0.57964E-05 3389 0.227E-02 0.364E-02 RMM: 9 -0.347486176534E+03 0.47292E-06 -0.15042E-05 2510 0.111E-02 2861 T= 6503. E= 0.69187852E+03 F= 0.63807746E+03 E0= 0.66786611E+03 EK= 0.53801E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348609030284E+03 -0.11229E+01 -0.19259E-01 8220 0.247E+01 0.397E-01 RMM: 2 -0.348624289556E+03 -0.15259E-01 -0.10355E-01 5357 0.725E-01 0.116E+00 RMM: 3 -0.348615153269E+03 0.91363E-02 -0.93044E-03 5390 0.217E-01 0.278E-01 RMM: 4 -0.348616480275E+03 -0.13270E-02 -0.24090E-03 5065 0.118E-01 0.538E-01 RMM: 5 -0.348614656519E+03 0.18238E-02 -0.92834E-04 4583 0.808E-02 0.142E-01 RMM: 6 -0.348614545620E+03 0.11090E-03 -0.13795E-04 3873 0.290E-02 0.732E-02 RMM: 7 -0.348614590965E+03 -0.45345E-04 -0.86931E-05 3733 0.247E-02 0.116E-01 RMM: 8 -0.348614509114E+03 0.81851E-04 -0.44536E-05 3184 0.201E-02 0.333E-02 RMM: 9 -0.348614514408E+03 -0.52939E-05 -0.15243E-05 2512 0.108E-02 2862 T= 7034. E= 0.69549952E+03 F= 0.63730803E+03 E0= 0.66710018E+03 EK= 0.58191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349631441096E+03 -0.10169E+01 -0.21241E-01 8568 0.254E+01 0.414E-01 RMM: 2 -0.349648832269E+03 -0.17391E-01 -0.13218E-01 5344 0.819E-01 0.114E+00 RMM: 3 -0.349639959064E+03 0.88732E-02 -0.11469E-02 5460 0.234E-01 0.327E-01 RMM: 4 -0.349641156153E+03 -0.11971E-02 -0.27188E-03 5175 0.126E-01 0.547E-01 RMM: 5 -0.349639290524E+03 0.18656E-02 -0.97128E-04 4598 0.819E-02 0.168E-01 RMM: 6 -0.349639128557E+03 0.16197E-03 -0.17152E-04 3882 0.333E-02 0.733E-02 RMM: 7 -0.349639189053E+03 -0.60496E-04 -0.94833E-05 3751 0.254E-02 0.126E-01 RMM: 8 -0.349639091201E+03 0.97853E-04 -0.56331E-05 3354 0.217E-02 0.398E-02 RMM: 9 -0.349639095251E+03 -0.40504E-05 -0.19898E-05 2559 0.127E-02 2863 T= 7355. E= 0.69748201E+03 F= 0.63663323E+03 E0= 0.66643334E+03 EK= 0.60849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350352083638E+03 -0.71299E+00 -0.22759E-01 8748 0.256E+01 0.411E-01 RMM: 2 -0.350370704942E+03 -0.18621E-01 -0.15211E-01 5367 0.853E-01 0.108E+00 RMM: 3 -0.350362121043E+03 0.85839E-02 -0.11933E-02 5455 0.236E-01 0.310E-01 RMM: 4 -0.350363467565E+03 -0.13465E-02 -0.26170E-03 5089 0.122E-01 0.567E-01 RMM: 5 -0.350361486441E+03 0.19811E-02 -0.10143E-03 4589 0.833E-02 0.153E-01 RMM: 6 -0.350361360992E+03 0.12545E-03 -0.16662E-04 3877 0.323E-02 0.821E-02 RMM: 7 -0.350361417805E+03 -0.56813E-04 -0.11161E-04 3864 0.278E-02 0.129E-01 RMM: 8 -0.350361315502E+03 0.10230E-03 -0.64751E-05 3459 0.229E-02 0.391E-02 RMM: 9 -0.350361322942E+03 -0.74399E-05 -0.20359E-05 2571 0.128E-02 2864 T= 7291. E= 0.69657447E+03 F= 0.63625876E+03 E0= 0.66607252E+03 EK= 0.60316E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350662002427E+03 -0.30069E+00 -0.22721E-01 8892 0.251E+01 0.403E-01 RMM: 2 -0.350681849404E+03 -0.19847E-01 -0.15923E-01 5347 0.849E-01 0.111E+00 RMM: 3 -0.350672594155E+03 0.92552E-02 -0.12182E-02 5436 0.241E-01 0.315E-01 RMM: 4 -0.350673843098E+03 -0.12489E-02 -0.26017E-03 5236 0.123E-01 0.544E-01 RMM: 5 -0.350671976363E+03 0.18667E-02 -0.94498E-04 4601 0.811E-02 0.168E-01 RMM: 6 -0.350671831889E+03 0.14447E-03 -0.20217E-04 3876 0.361E-02 0.904E-02 RMM: 7 -0.350671899356E+03 -0.67467E-04 -0.12012E-04 3882 0.290E-02 0.138E-01 RMM: 8 -0.350671779627E+03 0.11973E-03 -0.65260E-05 3448 0.233E-02 0.340E-02 RMM: 9 -0.350671790533E+03 -0.10905E-04 -0.19707E-05 2565 0.126E-02 2865 T= 6863. E= 0.69307423E+03 F= 0.63630214E+03 E0= 0.66613512E+03 EK= 0.56772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350585057631E+03 0.86722E-01 -0.21633E-01 8772 0.241E+01 0.383E-01 RMM: 2 -0.350604235365E+03 -0.19178E-01 -0.15684E-01 5285 0.836E-01 0.104E+00 RMM: 3 -0.350595735756E+03 0.84996E-02 -0.12358E-02 5515 0.240E-01 0.284E-01 RMM: 4 -0.350596719590E+03 -0.98383E-03 -0.24191E-03 5208 0.119E-01 0.497E-01 RMM: 5 -0.350595212107E+03 0.15075E-02 -0.96303E-04 4603 0.829E-02 0.178E-01 RMM: 6 -0.350595068541E+03 0.14357E-03 -0.23146E-04 3906 0.390E-02 0.107E-01 RMM: 7 -0.350595131316E+03 -0.62775E-04 -0.12994E-04 3876 0.314E-02 0.144E-01 RMM: 8 -0.350595000186E+03 0.13113E-03 -0.67238E-05 3473 0.241E-02 0.373E-02 RMM: 9 -0.350595004959E+03 -0.47728E-05 -0.16607E-05 2534 0.114E-02 2866 T= 6272. E= 0.68863003E+03 F= 0.63674491E+03 E0= 0.66660062E+03 EK= 0.51885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350245242179E+03 0.34976E+00 -0.20951E-01 8676 0.230E+01 0.367E-01 RMM: 2 -0.350264423493E+03 -0.19181E-01 -0.15492E-01 5248 0.842E-01 0.102E+00 RMM: 3 -0.350256399655E+03 0.80238E-02 -0.13592E-02 5545 0.246E-01 0.280E-01 RMM: 4 -0.350257201879E+03 -0.80222E-03 -0.22215E-03 5134 0.115E-01 0.469E-01 RMM: 5 -0.350255901044E+03 0.13008E-02 -0.96735E-04 4609 0.835E-02 0.190E-01 RMM: 6 -0.350255742785E+03 0.15826E-03 -0.30178E-04 3933 0.447E-02 0.119E-01 RMM: 7 -0.350255808886E+03 -0.66101E-04 -0.15850E-04 3886 0.355E-02 0.155E-01 RMM: 8 -0.350255659801E+03 0.14909E-03 -0.77065E-05 3551 0.259E-02 0.397E-02 RMM: 9 -0.350255661955E+03 -0.21543E-05 -0.16241E-05 2528 0.116E-02 2867 T= 5750. E= 0.68503550E+03 F= 0.63746381E+03 E0= 0.66734268E+03 EK= 0.47572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349797212791E+03 0.45845E+00 -0.20303E-01 8784 0.222E+01 0.365E-01 RMM: 2 -0.349817863261E+03 -0.20650E-01 -0.14494E-01 5371 0.803E-01 0.118E+00 RMM: 3 -0.349807355552E+03 0.10508E-01 -0.11850E-02 5543 0.231E-01 0.262E-01 RMM: 4 -0.349807978647E+03 -0.62309E-03 -0.21766E-03 5076 0.114E-01 0.433E-01 RMM: 5 -0.349806913645E+03 0.10650E-02 -0.94735E-04 4608 0.831E-02 0.206E-01 RMM: 6 -0.349806729461E+03 0.18418E-03 -0.31100E-04 3929 0.452E-02 0.126E-01 RMM: 7 -0.349806758154E+03 -0.28692E-04 -0.16441E-04 3884 0.373E-02 0.140E-01 RMM: 8 -0.349806635986E+03 0.12217E-03 -0.69226E-05 3472 0.246E-02 0.419E-02 RMM: 9 -0.349806636814E+03 -0.82829E-06 -0.15582E-05 2524 0.113E-02 2868 T= 5454. E= 0.68342324E+03 F= 0.63830170E+03 E0= 0.66820163E+03 EK= 0.45122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349369537877E+03 0.43710E+00 -0.20487E-01 9024 0.218E+01 0.371E-01 RMM: 2 -0.349389190764E+03 -0.19653E-01 -0.13573E-01 5278 0.778E-01 0.118E+00 RMM: 3 -0.349378895714E+03 0.10295E-01 -0.11961E-02 5516 0.236E-01 0.294E-01 RMM: 4 -0.349379325601E+03 -0.42989E-03 -0.20429E-03 4945 0.108E-01 0.416E-01 RMM: 5 -0.349378409642E+03 0.91596E-03 -0.93357E-04 4612 0.823E-02 0.221E-01 RMM: 6 -0.349378142626E+03 0.26702E-03 -0.30913E-04 3926 0.455E-02 0.103E-01 RMM: 7 -0.349378237003E+03 -0.94377E-04 -0.17162E-04 3889 0.362E-02 0.158E-01 RMM: 8 -0.349378083421E+03 0.15358E-03 -0.84354E-05 3604 0.271E-02 0.446E-02 RMM: 9 -0.349378079630E+03 0.37917E-05 -0.17202E-05 2536 0.121E-02 2869 T= 5457. E= 0.68426442E+03 F= 0.63911969E+03 E0= 0.66903633E+03 EK= 0.45145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349050017228E+03 0.32807E+00 -0.20858E-01 8868 0.220E+01 0.360E-01 RMM: 2 -0.349070827524E+03 -0.20810E-01 -0.13478E-01 5433 0.756E-01 0.125E+00 RMM: 3 -0.349059166532E+03 0.11661E-01 -0.11016E-02 5489 0.226E-01 0.253E-01 RMM: 4 -0.349059872512E+03 -0.70598E-03 -0.21747E-03 5033 0.113E-01 0.435E-01 RMM: 5 -0.349058754679E+03 0.11178E-02 -0.77059E-04 4604 0.730E-02 0.182E-01 RMM: 6 -0.349058596734E+03 0.15794E-03 -0.22807E-04 3893 0.385E-02 0.103E-01 RMM: 7 -0.349058632962E+03 -0.36228E-04 -0.11680E-04 3870 0.303E-02 0.125E-01 RMM: 8 -0.349058535658E+03 0.97304E-04 -0.50220E-05 3293 0.212E-02 0.390E-02 RMM: 9 -0.349058533784E+03 0.18743E-05 -0.13327E-05 2501 0.103E-02 2870 T= 5776. E= 0.68759862E+03 F= 0.63981904E+03 E0= 0.66974656E+03 EK= 0.47780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348877028421E+03 0.18151E+00 -0.22106E-01 8868 0.229E+01 0.362E-01 RMM: 2 -0.348894304251E+03 -0.17276E-01 -0.13339E-01 5497 0.747E-01 0.104E+00 RMM: 3 -0.348885983833E+03 0.83204E-02 -0.99241E-03 5463 0.218E-01 0.287E-01 RMM: 4 -0.348886697115E+03 -0.71328E-03 -0.19261E-03 4852 0.104E-01 0.451E-01 RMM: 5 -0.348885505763E+03 0.11914E-02 -0.72114E-04 4586 0.697E-02 0.186E-01 RMM: 6 -0.348885304444E+03 0.20132E-03 -0.21208E-04 3905 0.378E-02 0.803E-02 RMM: 7 -0.348885394091E+03 -0.89647E-04 -0.11971E-04 3875 0.291E-02 0.142E-01 RMM: 8 -0.348885270444E+03 0.12365E-03 -0.56262E-05 3379 0.221E-02 0.424E-02 RMM: 9 -0.348885264894E+03 0.55502E-05 -0.16260E-05 2514 0.115E-02 2871 T= 6364. E= 0.69300165E+03 F= 0.64035463E+03 E0= 0.67028628E+03 EK= 0.52647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348836982501E+03 0.48288E-01 -0.23571E-01 8916 0.241E+01 0.368E-01 RMM: 2 -0.348857458150E+03 -0.20476E-01 -0.14686E-01 5569 0.771E-01 0.116E+00 RMM: 3 -0.348846786562E+03 0.10672E-01 -0.10249E-02 5418 0.221E-01 0.260E-01 RMM: 4 -0.348847749312E+03 -0.96275E-03 -0.21853E-03 4957 0.112E-01 0.474E-01 RMM: 5 -0.348846359175E+03 0.13901E-02 -0.72940E-04 4580 0.697E-02 0.160E-01 RMM: 6 -0.348846227185E+03 0.13199E-03 -0.17167E-04 3880 0.332E-02 0.828E-02 RMM: 7 -0.348846266794E+03 -0.39609E-04 -0.96342E-05 3852 0.260E-02 0.117E-01 RMM: 8 -0.348846180754E+03 0.86040E-04 -0.45784E-05 3242 0.198E-02 0.304E-02 RMM: 9 -0.348846187835E+03 -0.70813E-05 -0.14738E-05 2502 0.108E-02 2872 T= 7069. E= 0.69921889E+03 F= 0.64073594E+03 E0= 0.67066485E+03 EK= 0.58483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348884700333E+03 -0.38520E-01 -0.25310E-01 8940 0.252E+01 0.387E-01 RMM: 2 -0.348906443839E+03 -0.21744E-01 -0.16491E-01 5443 0.847E-01 0.116E+00 RMM: 3 -0.348896125577E+03 0.10318E-01 -0.12667E-02 5510 0.241E-01 0.306E-01 RMM: 4 -0.348896842758E+03 -0.71718E-03 -0.22602E-03 5022 0.111E-01 0.466E-01 RMM: 5 -0.348895523975E+03 0.13188E-02 -0.72735E-04 4595 0.698E-02 0.179E-01 RMM: 6 -0.348895330823E+03 0.19315E-03 -0.17612E-04 3883 0.340E-02 0.688E-02 RMM: 7 -0.348895408400E+03 -0.77577E-04 -0.10519E-04 3868 0.267E-02 0.132E-01 RMM: 8 -0.348895300543E+03 0.10786E-03 -0.53610E-05 3354 0.209E-02 0.386E-02 RMM: 9 -0.348895300437E+03 0.10602E-06 -0.18509E-05 2524 0.122E-02 2873 T= 7614. E= 0.70400097E+03 F= 0.64101244E+03 E0= 0.67093243E+03 EK= 0.62989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348982380641E+03 -0.87080E-01 -0.26139E-01 8832 0.258E+01 0.390E-01 RMM: 2 -0.349007293451E+03 -0.24913E-01 -0.17947E-01 5412 0.881E-01 0.126E+00 RMM: 3 -0.348994919706E+03 0.12374E-01 -0.14081E-02 5533 0.252E-01 0.281E-01 RMM: 4 -0.348995859644E+03 -0.93994E-03 -0.24107E-03 5120 0.117E-01 0.486E-01 RMM: 5 -0.348994406851E+03 0.14528E-02 -0.73054E-04 4579 0.691E-02 0.174E-01 RMM: 6 -0.348994245580E+03 0.16127E-03 -0.20118E-04 3880 0.363E-02 0.861E-02 RMM: 7 -0.348994323299E+03 -0.77719E-04 -0.11792E-04 3879 0.282E-02 0.141E-01 RMM: 8 -0.348994196683E+03 0.12662E-03 -0.67554E-05 3486 0.235E-02 0.351E-02 RMM: 9 -0.348994200637E+03 -0.39541E-05 -0.18104E-05 2530 0.121E-02 2874 T= 7717. E= 0.70506943E+03 F= 0.64123086E+03 E0= 0.67113815E+03 EK= 0.63839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349140854869E+03 -0.14666E+00 -0.25049E-01 8736 0.255E+01 0.384E-01 RMM: 2 -0.349165375032E+03 -0.24520E-01 -0.17757E-01 5512 0.879E-01 0.124E+00 RMM: 3 -0.349153427819E+03 0.11947E-01 -0.12648E-02 5570 0.241E-01 0.299E-01 RMM: 4 -0.349153848859E+03 -0.42104E-03 -0.22301E-03 5072 0.112E-01 0.415E-01 RMM: 5 -0.349152877050E+03 0.97181E-03 -0.72914E-04 4599 0.709E-02 0.199E-01 RMM: 6 -0.349152657408E+03 0.21964E-03 -0.23248E-04 3901 0.392E-02 0.926E-02 RMM: 7 -0.349152760490E+03 -0.10308E-03 -0.14730E-04 3886 0.319E-02 0.156E-01 RMM: 8 -0.349152610154E+03 0.15034E-03 -0.76524E-05 3547 0.253E-02 0.425E-02 RMM: 9 -0.349152606953E+03 0.32012E-05 -0.17490E-05 2533 0.119E-02 2875 T= 7318. E= 0.70193505E+03 F= 0.64139192E+03 E0= 0.67128574E+03 EK= 0.60543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349429435470E+03 -0.27683E+00 -0.22733E-01 8496 0.246E+01 0.382E-01 RMM: 2 -0.349457371515E+03 -0.27936E-01 -0.17372E-01 5406 0.883E-01 0.143E+00 RMM: 3 -0.349441900848E+03 0.15471E-01 -0.14189E-02 5497 0.255E-01 0.298E-01 RMM: 4 -0.349442131131E+03 -0.23028E-03 -0.22328E-03 5028 0.111E-01 0.384E-01 RMM: 5 -0.349441312781E+03 0.81835E-03 -0.79925E-04 4610 0.747E-02 0.197E-01 RMM: 6 -0.349441162292E+03 0.15049E-03 -0.31130E-04 3901 0.454E-02 0.130E-01 RMM: 7 -0.349441230839E+03 -0.68547E-04 -0.16398E-04 3896 0.351E-02 0.162E-01 RMM: 8 -0.349441062908E+03 0.16793E-03 -0.90583E-05 3663 0.271E-02 0.464E-02 RMM: 9 -0.349441059526E+03 0.33815E-05 -0.18082E-05 2549 0.121E-02 2876 T= 6639. E= 0.69635989E+03 F= 0.64143427E+03 E0= 0.67131741E+03 EK= 0.54926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349951875858E+03 -0.51081E+00 -0.19828E-01 8304 0.235E+01 0.378E-01 RMM: 2 -0.349976551515E+03 -0.24676E-01 -0.14922E-01 5331 0.850E-01 0.141E+00 RMM: 3 -0.349962459888E+03 0.14092E-01 -0.13409E-02 5534 0.250E-01 0.281E-01 RMM: 4 -0.349962649330E+03 -0.18944E-03 -0.20771E-03 4942 0.108E-01 0.369E-01 RMM: 5 -0.349962008564E+03 0.64077E-03 -0.89926E-04 4608 0.817E-02 0.227E-01 RMM: 6 -0.349961754118E+03 0.25445E-03 -0.34736E-04 3956 0.476E-02 0.127E-01 RMM: 7 -0.349961838848E+03 -0.84730E-04 -0.19926E-04 3897 0.392E-02 0.170E-01 RMM: 8 -0.349961658040E+03 0.18081E-03 -0.10031E-04 3715 0.289E-02 0.445E-02 RMM: 9 -0.349961658149E+03 -0.10870E-06 -0.20222E-05 2605 0.130E-02 2877 T= 5987. E= 0.69078763E+03 F= 0.64126084E+03 E0= 0.67113822E+03 EK= 0.49527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350793000083E+03 -0.83134E+00 -0.17121E-01 8340 0.226E+01 0.371E-01 RMM: 2 -0.350815655347E+03 -0.22655E-01 -0.12398E-01 5277 0.784E-01 0.142E+00 RMM: 3 -0.350801542159E+03 0.14113E-01 -0.12168E-02 5488 0.236E-01 0.284E-01 RMM: 4 -0.350801787792E+03 -0.24563E-03 -0.21209E-03 4898 0.110E-01 0.378E-01 RMM: 5 -0.350801011127E+03 0.77667E-03 -0.91277E-04 4612 0.822E-02 0.201E-01 RMM: 6 -0.350800852572E+03 0.15856E-03 -0.31044E-04 3911 0.454E-02 0.133E-01 RMM: 7 -0.350800884273E+03 -0.31701E-04 -0.16117E-04 3888 0.365E-02 0.151E-01 RMM: 8 -0.350800742191E+03 0.14208E-03 -0.77433E-05 3565 0.254E-02 0.424E-02 RMM: 9 -0.350800742729E+03 -0.53819E-06 -0.17413E-05 2549 0.120E-02 2878 T= 5571. E= 0.68687037E+03 F= 0.64078446E+03 E0= 0.67066235E+03 EK= 0.46086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351995197986E+03 -0.11945E+01 -0.15467E-01 8496 0.222E+01 0.377E-01 RMM: 2 -0.352012316897E+03 -0.17119E-01 -0.96305E-02 5308 0.695E-01 0.128E+00 RMM: 3 -0.352001101387E+03 0.11216E-01 -0.10099E-02 5459 0.219E-01 0.263E-01 RMM: 4 -0.352001763425E+03 -0.66204E-03 -0.21704E-03 4914 0.114E-01 0.436E-01 RMM: 5 -0.352000751234E+03 0.10122E-02 -0.86057E-04 4608 0.784E-02 0.217E-01 RMM: 6 -0.352000491364E+03 0.25987E-03 -0.27502E-04 3906 0.425E-02 0.103E-01 RMM: 7 -0.352000571345E+03 -0.79981E-04 -0.14980E-04 3889 0.337E-02 0.151E-01 RMM: 8 -0.352000429223E+03 0.14212E-03 -0.77594E-05 3584 0.258E-02 0.414E-02 RMM: 9 -0.352000427463E+03 0.17600E-05 -0.18444E-05 2571 0.126E-02 2879 T= 5479. E= 0.68528007E+03 F= 0.63995669E+03 E0= 0.66984077E+03 EK= 0.45323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353543146742E+03 -0.15427E+01 -0.15197E-01 8352 0.225E+01 0.352E-01 RMM: 2 -0.353555054017E+03 -0.11907E-01 -0.85570E-02 5361 0.624E-01 0.985E-01 RMM: 3 -0.353548215073E+03 0.68389E-02 -0.73152E-03 5413 0.185E-01 0.271E-01 RMM: 4 -0.353549239876E+03 -0.10248E-02 -0.20969E-03 4823 0.112E-01 0.495E-01 RMM: 5 -0.353547698200E+03 0.15417E-02 -0.88955E-04 4601 0.792E-02 0.127E-01 RMM: 6 -0.353547658634E+03 0.39566E-04 -0.17712E-04 3882 0.332E-02 0.109E-01 RMM: 7 -0.353547652420E+03 0.62144E-05 -0.82713E-05 3716 0.258E-02 2880 T= 5718. E= 0.68608355E+03 F= 0.63878132E+03 E0= 0.66867637E+03 EK= 0.47302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355370720501E+03 -0.18231E+01 -0.16105E-01 8232 0.233E+01 0.398E-01 RMM: 2 -0.355381957623E+03 -0.11237E-01 -0.87465E-02 5379 0.646E-01 0.971E-01 RMM: 3 -0.355375742251E+03 0.62154E-02 -0.83398E-03 5400 0.200E-01 0.327E-01 RMM: 4 -0.355376896020E+03 -0.11538E-02 -0.21943E-03 4796 0.113E-01 0.541E-01 RMM: 5 -0.355375102522E+03 0.17935E-02 -0.90578E-04 4590 0.774E-02 0.179E-01 RMM: 6 -0.355374939173E+03 0.16335E-03 -0.23152E-04 3890 0.384E-02 0.969E-02 RMM: 7 -0.355374999440E+03 -0.60267E-04 -0.11603E-04 3893 0.282E-02 0.136E-01 RMM: 8 -0.355374884346E+03 0.11509E-03 -0.59271E-05 3419 0.224E-02 0.416E-02 RMM: 9 -0.355374888717E+03 -0.43702E-05 -0.22359E-05 2619 0.133E-02 2881 T= 6233. E= 0.68888272E+03 F= 0.63731738E+03 E0= 0.66722575E+03 EK= 0.51565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357361353825E+03 -0.19865E+01 -0.18095E-01 8076 0.244E+01 0.372E-01 RMM: 2 -0.357374853545E+03 -0.13500E-01 -0.10390E-01 5271 0.716E-01 0.100E+00 RMM: 3 -0.357368018990E+03 0.68346E-02 -0.10210E-02 5471 0.214E-01 0.307E-01 RMM: 4 -0.357369049552E+03 -0.10306E-02 -0.20526E-03 4794 0.109E-01 0.501E-01 RMM: 5 -0.357367403148E+03 0.16464E-02 -0.75885E-04 4580 0.709E-02 0.137E-01 RMM: 6 -0.357367291492E+03 0.11166E-03 -0.15086E-04 3898 0.306E-02 0.640E-02 RMM: 7 -0.357367324781E+03 -0.33289E-04 -0.58503E-05 3385 0.208E-02 0.101E-01 RMM: 8 -0.357367263118E+03 0.61663E-04 -0.36262E-05 2992 0.182E-02 0.373E-02 RMM: 9 -0.357367262621E+03 0.49701E-06 -0.17696E-05 2517 0.118E-02 2882 T= 6879. E= 0.69258711E+03 F= 0.63567542E+03 E0= 0.66559678E+03 EK= 0.56912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359377631517E+03 -0.20104E+01 -0.19769E-01 8352 0.254E+01 0.410E-01 RMM: 2 -0.359392150172E+03 -0.14519E-01 -0.10707E-01 5344 0.751E-01 0.111E+00 RMM: 3 -0.359384207377E+03 0.79428E-02 -0.11108E-02 5527 0.225E-01 0.324E-01 RMM: 4 -0.359385049221E+03 -0.84184E-03 -0.24761E-03 5000 0.120E-01 0.493E-01 RMM: 5 -0.359383520835E+03 0.15284E-02 -0.86768E-04 4583 0.763E-02 0.175E-01 RMM: 6 -0.359383341816E+03 0.17902E-03 -0.18082E-04 3897 0.344E-02 0.804E-02 RMM: 7 -0.359383402560E+03 -0.60744E-04 -0.10610E-04 3838 0.268E-02 0.130E-01 RMM: 8 -0.359383298592E+03 0.10397E-03 -0.64372E-05 3509 0.228E-02 0.456E-02 RMM: 9 -0.359383295724E+03 0.28687E-05 -0.21826E-05 2596 0.133E-02 2883 T= 7408. E= 0.69528199E+03 F= 0.63399824E+03 E0= 0.66392942E+03 EK= 0.61284E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361285787362E+03 -0.19025E+01 -0.20552E-01 7968 0.258E+01 0.395E-01 RMM: 2 -0.361302164429E+03 -0.16377E-01 -0.10447E-01 5338 0.725E-01 0.121E+00 RMM: 3 -0.361292097836E+03 0.10067E-01 -0.10215E-02 5429 0.220E-01 0.276E-01 RMM: 4 -0.361293296890E+03 -0.11991E-02 -0.23074E-03 4920 0.115E-01 0.510E-01 RMM: 5 -0.361291592425E+03 0.17045E-02 -0.80752E-04 4584 0.733E-02 0.139E-01 RMM: 6 -0.361291500507E+03 0.91917E-04 -0.17552E-04 3897 0.333E-02 0.882E-02 RMM: 7 -0.361291559031E+03 -0.58523E-04 -0.89577E-05 3740 0.250E-02 0.130E-01 RMM: 8 -0.361291453426E+03 0.10560E-03 -0.52794E-05 3309 0.213E-02 0.370E-02 RMM: 9 -0.361291456103E+03 -0.26770E-05 -0.18617E-05 2528 0.122E-02 2884 T= 7561. E= 0.69497156E+03 F= 0.63242381E+03 E0= 0.66235916E+03 EK= 0.62548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363007337746E+03 -0.17159E+01 -0.20298E-01 7680 0.256E+01 0.374E-01 RMM: 2 -0.363023831638E+03 -0.16494E-01 -0.10267E-01 5206 0.719E-01 0.121E+00 RMM: 3 -0.363013685822E+03 0.10146E-01 -0.99553E-03 5482 0.219E-01 0.265E-01 RMM: 4 -0.363014582976E+03 -0.89715E-03 -0.22570E-03 5074 0.115E-01 0.464E-01 RMM: 5 -0.363013337725E+03 0.12453E-02 -0.81002E-04 4590 0.749E-02 0.198E-01 RMM: 6 -0.363013108828E+03 0.22890E-03 -0.21494E-04 3896 0.378E-02 0.812E-02 RMM: 7 -0.363013188377E+03 -0.79549E-04 -0.12257E-04 3876 0.297E-02 0.137E-01 RMM: 8 -0.363013069039E+03 0.11934E-03 -0.59295E-05 3414 0.229E-02 0.326E-02 RMM: 9 -0.363013071951E+03 -0.29116E-05 -0.14246E-05 2509 0.107E-02 2885 T= 7257. E= 0.69107269E+03 F= 0.63103991E+03 E0= 0.66097352E+03 EK= 0.60033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364535248075E+03 -0.15222E+01 -0.19206E-01 7788 0.246E+01 0.353E-01 RMM: 2 -0.364550302794E+03 -0.15055E-01 -0.93620E-02 5177 0.681E-01 0.114E+00 RMM: 3 -0.364540974011E+03 0.93288E-02 -0.87232E-03 5393 0.208E-01 0.239E-01 RMM: 4 -0.364541935413E+03 -0.96140E-03 -0.20059E-03 5018 0.111E-01 0.466E-01 RMM: 5 -0.364540568885E+03 0.13665E-02 -0.83499E-04 4605 0.767E-02 0.147E-01 RMM: 6 -0.364540530100E+03 0.38785E-04 -0.24660E-04 3891 0.402E-02 0.131E-01 RMM: 7 -0.364540506212E+03 0.23888E-04 -0.10698E-04 3834 0.312E-02 0.117E-01 RMM: 8 -0.364540419989E+03 0.86223E-04 -0.40848E-05 3171 0.191E-02 0.307E-02 RMM: 9 -0.364540431943E+03 -0.11954E-04 -0.15782E-05 2515 0.112E-02 2886 T= 6661. E= 0.68496674E+03 F= 0.62986281E+03 E0= 0.65979011E+03 EK= 0.55104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365912971752E+03 -0.13726E+01 -0.17489E-01 7824 0.235E+01 0.341E-01 RMM: 2 -0.365925932860E+03 -0.12961E-01 -0.92052E-02 5180 0.675E-01 0.101E+00 RMM: 3 -0.365918772924E+03 0.71599E-02 -0.83968E-03 5453 0.200E-01 0.264E-01 RMM: 4 -0.365919220351E+03 -0.44743E-03 -0.18984E-03 4935 0.107E-01 0.395E-01 RMM: 5 -0.365918390182E+03 0.83017E-03 -0.99367E-04 4600 0.866E-02 0.207E-01 RMM: 6 -0.365918179664E+03 0.21052E-03 -0.27654E-04 3920 0.433E-02 0.110E-01 RMM: 7 -0.365918211996E+03 -0.32332E-04 -0.14640E-04 3878 0.357E-02 0.134E-01 RMM: 8 -0.365918102201E+03 0.10979E-03 -0.57144E-05 3383 0.228E-02 0.373E-02 RMM: 9 -0.365918106785E+03 -0.45834E-05 -0.16680E-05 2522 0.118E-02 2887 T= 6041. E= 0.67882860E+03 F= 0.62885286E+03 E0= 0.65877273E+03 EK= 0.49976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367205464008E+03 -0.12874E+01 -0.16364E-01 8304 0.225E+01 0.352E-01 RMM: 2 -0.367218434679E+03 -0.12971E-01 -0.89178E-02 5136 0.657E-01 0.103E+00 RMM: 3 -0.367210892516E+03 0.75422E-02 -0.83190E-03 5387 0.202E-01 0.248E-01 RMM: 4 -0.367211870529E+03 -0.97801E-03 -0.21599E-03 5066 0.116E-01 0.478E-01 RMM: 5 -0.367210485299E+03 0.13852E-02 -0.96400E-04 4608 0.831E-02 0.161E-01 RMM: 6 -0.367210436973E+03 0.48326E-04 -0.28280E-04 3917 0.435E-02 0.141E-01 RMM: 7 -0.367210397046E+03 0.39928E-04 -0.13235E-04 3861 0.351E-02 0.120E-01 RMM: 8 -0.367210308555E+03 0.88491E-04 -0.48077E-05 3267 0.207E-02 0.355E-02 RMM: 9 -0.367210319084E+03 -0.10528E-04 -0.17571E-05 2542 0.121E-02 2888 T= 5601. E= 0.67428163E+03 F= 0.62794503E+03 E0= 0.65785774E+03 EK= 0.46337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368470698119E+03 -0.12604E+01 -0.15255E-01 8532 0.220E+01 0.356E-01 RMM: 2 -0.368482105520E+03 -0.11407E-01 -0.81405E-02 5253 0.608E-01 0.984E-01 RMM: 3 -0.368475235547E+03 0.68700E-02 -0.70630E-03 5404 0.187E-01 0.266E-01 RMM: 4 -0.368476157781E+03 -0.92223E-03 -0.21290E-03 4962 0.114E-01 0.473E-01 RMM: 5 -0.368474837724E+03 0.13201E-02 -0.97702E-04 4593 0.840E-02 0.184E-01 RMM: 6 -0.368474675785E+03 0.16194E-03 -0.24274E-04 3898 0.400E-02 0.103E-01 RMM: 7 -0.368474705769E+03 -0.29984E-04 -0.11628E-04 3865 0.317E-02 0.126E-01 RMM: 8 -0.368474607844E+03 0.97925E-04 -0.44621E-05 3243 0.202E-02 0.313E-02 RMM: 9 -0.368474620923E+03 -0.13080E-04 -0.17726E-05 2538 0.119E-02 2889 T= 5440. E= 0.67207513E+03 F= 0.62707525E+03 E0= 0.65698334E+03 EK= 0.45000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369744069567E+03 -0.12695E+01 -0.15407E-01 8904 0.220E+01 0.374E-01 RMM: 2 -0.369756785792E+03 -0.12716E-01 -0.80830E-02 5285 0.595E-01 0.108E+00 RMM: 3 -0.369748381599E+03 0.84042E-02 -0.73702E-03 5384 0.192E-01 0.270E-01 RMM: 4 -0.369749534190E+03 -0.11526E-02 -0.22843E-03 4938 0.117E-01 0.506E-01 RMM: 5 -0.369747942353E+03 0.15918E-02 -0.88847E-04 4608 0.784E-02 0.164E-01 RMM: 6 -0.369747821516E+03 0.12084E-03 -0.20793E-04 3893 0.370E-02 0.100E-01 RMM: 7 -0.369747844008E+03 -0.22493E-04 -0.93100E-05 3772 0.274E-02 0.118E-01 RMM: 8 -0.369747757851E+03 0.86158E-04 -0.43879E-05 3210 0.199E-02 0.320E-02 RMM: 9 -0.369747766769E+03 -0.89179E-05 -0.16559E-05 2516 0.114E-02 2890 T= 5582. E= 0.67237177E+03 F= 0.62619666E+03 E0= 0.65610257E+03 EK= 0.46175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371036352010E+03 -0.12886E+01 -0.16524E-01 8892 0.225E+01 0.379E-01 RMM: 2 -0.371048395308E+03 -0.12043E-01 -0.89860E-02 5325 0.629E-01 0.101E+00 RMM: 3 -0.371041431011E+03 0.69643E-02 -0.78325E-03 5382 0.194E-01 0.286E-01 RMM: 4 -0.371042589027E+03 -0.11580E-02 -0.21925E-03 4837 0.113E-01 0.520E-01 RMM: 5 -0.371040925175E+03 0.16639E-02 -0.91018E-04 4602 0.788E-02 0.158E-01 RMM: 6 -0.371040790370E+03 0.13480E-03 -0.17845E-04 3885 0.337E-02 0.806E-02 RMM: 7 -0.371040838843E+03 -0.48473E-04 -0.84492E-05 3665 0.251E-02 0.121E-01 RMM: 8 -0.371040747676E+03 0.91167E-04 -0.43450E-05 3196 0.199E-02 0.292E-02 RMM: 9 -0.371040758534E+03 -0.10858E-04 -0.18420E-05 2533 0.120E-02 2891 T= 6002. E= 0.67493957E+03 F= 0.62528825E+03 E0= 0.65519490E+03 EK= 0.49651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372331521037E+03 -0.12908E+01 -0.18465E-01 9096 0.233E+01 0.379E-01 RMM: 2 -0.372344390644E+03 -0.12870E-01 -0.10627E-01 5364 0.676E-01 0.931E-01 RMM: 3 -0.372337948546E+03 0.64421E-02 -0.83205E-03 5406 0.197E-01 0.292E-01 RMM: 4 -0.372338941064E+03 -0.99252E-03 -0.20924E-03 4786 0.110E-01 0.496E-01 RMM: 5 -0.372337346088E+03 0.15950E-02 -0.82656E-04 4609 0.737E-02 0.119E-01 RMM: 6 -0.372337295528E+03 0.50561E-04 -0.13631E-04 3874 0.290E-02 0.890E-02 RMM: 7 -0.372337291646E+03 0.38815E-05 -0.62791E-05 3464 0.213E-02 2892 T= 6606. E= 0.67900866E+03 F= 0.62435994E+03 E0= 0.65426957E+03 EK= 0.54649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373590357372E+03 -0.12531E+01 -0.21297E-01 9096 0.243E+01 0.386E-01 RMM: 2 -0.373604065374E+03 -0.13708E-01 -0.13137E-01 5364 0.751E-01 0.807E-01 RMM: 3 -0.373599086781E+03 0.49786E-02 -0.93991E-03 5497 0.202E-01 0.338E-01 RMM: 4 -0.373599898306E+03 -0.81153E-03 -0.21707E-03 4796 0.111E-01 0.505E-01 RMM: 5 -0.373598210716E+03 0.16876E-02 -0.96849E-04 4604 0.801E-02 0.955E-02 RMM: 6 -0.373598226053E+03 -0.15337E-04 -0.14148E-04 3875 0.291E-02 2893 T= 7201. E= 0.68301868E+03 F= 0.62345013E+03 E0= 0.65336485E+03 EK= 0.59569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374764371780E+03 -0.11662E+01 -0.24228E-01 8952 0.250E+01 0.479E-01 RMM: 2 -0.374797873157E+03 -0.33501E-01 -0.15643E-01 5375 0.834E-01 0.188E+00 RMM: 3 -0.374773883112E+03 0.23990E-01 -0.17289E-02 5353 0.308E-01 0.353E-01 RMM: 4 -0.374774441042E+03 -0.55793E-03 -0.32840E-03 5294 0.129E-01 0.475E-01 RMM: 5 -0.374773211656E+03 0.12294E-02 -0.86466E-04 4596 0.743E-02 0.218E-01 RMM: 6 -0.374772916775E+03 0.29488E-03 -0.24613E-04 3908 0.409E-02 0.758E-02 RMM: 7 -0.374772979927E+03 -0.63153E-04 -0.10186E-04 3803 0.263E-02 0.126E-01 RMM: 8 -0.374772896573E+03 0.83354E-04 -0.50054E-05 3271 0.204E-02 0.582E-02 RMM: 9 -0.374772882340E+03 0.14233E-04 -0.23474E-05 2635 0.140E-02 2894 T= 7529. E= 0.68490349E+03 F= 0.62261428E+03 E0= 0.65253498E+03 EK= 0.62289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375814131450E+03 -0.10412E+01 -0.26125E-01 8832 0.250E+01 0.417E-01 RMM: 2 -0.375843042716E+03 -0.28911E-01 -0.16407E-01 5285 0.822E-01 0.156E+00 RMM: 3 -0.375825048317E+03 0.17994E-01 -0.14905E-02 5355 0.284E-01 0.355E-01 RMM: 4 -0.375825502211E+03 -0.45389E-03 -0.31232E-03 5307 0.128E-01 0.445E-01 RMM: 5 -0.375824357012E+03 0.11452E-02 -0.85372E-04 4611 0.764E-02 0.187E-01 RMM: 6 -0.375824139678E+03 0.21733E-03 -0.17889E-04 3888 0.346E-02 0.647E-02 RMM: 7 -0.375824195263E+03 -0.55585E-04 -0.85065E-05 3640 0.239E-02 0.116E-01 RMM: 8 -0.375824113372E+03 0.81892E-04 -0.45566E-05 3200 0.206E-02 0.368E-02 RMM: 9 -0.375824110879E+03 0.24922E-05 -0.13973E-05 2504 0.107E-02 2895 T= 7424. E= 0.68331721E+03 F= 0.62189792E+03 E0= 0.65182645E+03 EK= 0.61419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376739662439E+03 -0.91555E+00 -0.26445E-01 8724 0.244E+01 0.403E-01 RMM: 2 -0.376767471681E+03 -0.27809E-01 -0.16000E-01 5226 0.826E-01 0.153E+00 RMM: 3 -0.376750328166E+03 0.17144E-01 -0.12816E-02 5367 0.258E-01 0.267E-01 RMM: 4 -0.376751186490E+03 -0.85832E-03 -0.26425E-03 5210 0.120E-01 0.466E-01 RMM: 5 -0.376749981307E+03 0.12052E-02 -0.84046E-04 4597 0.758E-02 0.207E-01 RMM: 6 -0.376749733196E+03 0.24811E-03 -0.22336E-04 3884 0.383E-02 0.811E-02 RMM: 7 -0.376749781010E+03 -0.47814E-04 -0.10156E-04 3831 0.281E-02 0.119E-01 RMM: 8 -0.376749693017E+03 0.87993E-04 -0.45908E-05 3228 0.203E-02 0.319E-02 RMM: 9 -0.376749703735E+03 -0.10717E-04 -0.17594E-05 2521 0.118E-02 2896 T= 6945. E= 0.67876566E+03 F= 0.62131213E+03 E0= 0.65125037E+03 EK= 0.57454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377569227590E+03 -0.81953E+00 -0.24139E-01 8652 0.234E+01 0.330E-01 RMM: 2 -0.377585804681E+03 -0.16577E-01 -0.14269E-01 5349 0.765E-01 0.856E-01 RMM: 3 -0.377579337221E+03 0.64675E-02 -0.93692E-03 5394 0.217E-01 0.244E-01 RMM: 4 -0.377580224009E+03 -0.88679E-03 -0.19485E-03 5103 0.108E-01 0.461E-01 RMM: 5 -0.377578923444E+03 0.13006E-02 -0.86671E-04 4606 0.789E-02 0.136E-01 RMM: 6 -0.377578903959E+03 0.19484E-04 -0.23142E-04 3894 0.387E-02 0.126E-01 RMM: 7 -0.377578868362E+03 0.35597E-04 -0.88188E-05 3699 0.283E-02 0.105E-01 RMM: 8 -0.377578802540E+03 0.65822E-04 -0.33428E-05 3027 0.176E-02 0.296E-02 RMM: 9 -0.377578817457E+03 -0.14917E-04 -0.15901E-05 2513 0.114E-02 2897 T= 6325. E= 0.67316230E+03 F= 0.62083406E+03 E0= 0.65078508E+03 EK= 0.52328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378340325085E+03 -0.76152E+00 -0.21048E-01 8784 0.224E+01 0.330E-01 RMM: 2 -0.378355969677E+03 -0.15645E-01 -0.12401E-01 5343 0.717E-01 0.942E-01 RMM: 3 -0.378348753398E+03 0.72163E-02 -0.81145E-03 5400 0.201E-01 0.215E-01 RMM: 4 -0.378349587964E+03 -0.83457E-03 -0.19799E-03 5042 0.112E-01 0.443E-01 RMM: 5 -0.378348416622E+03 0.11713E-02 -0.84465E-04 4601 0.775E-02 0.148E-01 RMM: 6 -0.378348403973E+03 0.12649E-04 -0.25264E-04 3899 0.406E-02 0.145E-01 RMM: 7 -0.378348311109E+03 0.92864E-04 -0.10865E-04 3848 0.327E-02 0.874E-02 RMM: 8 -0.378348266748E+03 0.44360E-04 -0.29804E-05 2953 0.166E-02 0.315E-02 RMM: 9 -0.378348283770E+03 -0.17022E-04 -0.16416E-05 2519 0.116E-02 2898 T= 5801. E= 0.66841852E+03 F= 0.62042824E+03 E0= 0.65039566E+03 EK= 0.47990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379074992444E+03 -0.72673E+00 -0.18381E-01 8796 0.217E+01 0.317E-01 RMM: 2 -0.379085517446E+03 -0.10525E-01 -0.10482E-01 5333 0.659E-01 0.612E-01 RMM: 3 -0.379082064583E+03 0.34529E-02 -0.68983E-03 5405 0.187E-01 0.272E-01 RMM: 4 -0.379082792941E+03 -0.72836E-03 -0.17095E-03 4887 0.105E-01 0.453E-01 RMM: 5 -0.379081505223E+03 0.12877E-02 -0.81873E-04 4600 0.760E-02 0.109E-01 RMM: 6 -0.379081586890E+03 -0.81667E-04 -0.22717E-04 3882 0.383E-02 0.158E-01 RMM: 7 -0.379081459853E+03 0.12704E-03 -0.89248E-05 3696 0.293E-02 0.787E-02 RMM: 8 -0.379081425152E+03 0.34701E-04 -0.23927E-05 2743 0.148E-02 0.307E-02 RMM: 9 -0.379081442471E+03 -0.17319E-04 -0.16513E-05 2517 0.116E-02 2899 T= 5511. E= 0.66565999E+03 F= 0.62006709E+03 E0= 0.65005601E+03 EK= 0.45593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379768540398E+03 -0.68712E+00 -0.16859E-01 8928 0.215E+01 0.331E-01 RMM: 2 -0.379778823409E+03 -0.10283E-01 -0.90709E-02 5230 0.615E-01 0.768E-01 RMM: 3 -0.379774090896E+03 0.47325E-02 -0.64420E-03 5435 0.177E-01 0.230E-01 RMM: 4 -0.379774890891E+03 -0.79999E-03 -0.16911E-03 4749 0.104E-01 0.441E-01 RMM: 5 -0.379773672283E+03 0.12186E-02 -0.72480E-04 4597 0.704E-02 0.118E-01 RMM: 6 -0.379773688448E+03 -0.16165E-04 -0.18130E-04 3887 0.341E-02 2900 T= 5507. E= 0.66530843E+03 F= 0.61974675E+03 E0= 0.64976073E+03 EK= 0.45562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380383375668E+03 -0.60970E+00 -0.16532E-01 8892 0.219E+01 0.389E-01 RMM: 2 -0.380398084322E+03 -0.14709E-01 -0.88630E-02 5227 0.612E-01 0.117E+00 RMM: 3 -0.380388325631E+03 0.97587E-02 -0.92381E-03 5365 0.222E-01 0.283E-01 RMM: 4 -0.380389607732E+03 -0.12821E-02 -0.21268E-03 4964 0.110E-01 0.535E-01 RMM: 5 -0.380387863529E+03 0.17442E-02 -0.82424E-04 4604 0.749E-02 0.172E-01 RMM: 6 -0.380387745304E+03 0.11823E-03 -0.27927E-04 3909 0.427E-02 0.113E-01 RMM: 7 -0.380387765109E+03 -0.19805E-04 -0.93568E-05 3776 0.275E-02 2901 T= 5785. E= 0.66734876E+03 F= 0.61949478E+03 E0= 0.64954165E+03 EK= 0.47854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380850990114E+03 -0.46324E+00 -0.17012E-01 8844 0.227E+01 0.378E-01 RMM: 2 -0.380866681140E+03 -0.15691E-01 -0.92738E-02 5110 0.660E-01 0.123E+00 RMM: 3 -0.380856414569E+03 0.10267E-01 -0.10265E-02 5373 0.235E-01 0.292E-01 RMM: 4 -0.380857223640E+03 -0.80907E-03 -0.21224E-03 4890 0.107E-01 0.466E-01 RMM: 5 -0.380855987670E+03 0.12360E-02 -0.70466E-04 4603 0.694E-02 0.188E-01 RMM: 6 -0.380855765559E+03 0.22211E-03 -0.20011E-04 3894 0.361E-02 0.615E-02 RMM: 7 -0.380855808810E+03 -0.43251E-04 -0.51864E-05 3301 0.197E-02 0.104E-01 RMM: 8 -0.380855742322E+03 0.66488E-04 -0.31097E-05 2827 0.175E-02 0.278E-02 RMM: 9 -0.380855754939E+03 -0.12616E-04 -0.16890E-05 2508 0.114E-02 2902 T= 6283. E= 0.67134534E+03 F= 0.61937173E+03 E0= 0.64945704E+03 EK= 0.51974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381085796842E+03 -0.23005E+00 -0.18718E-01 8748 0.237E+01 0.328E-01 RMM: 2 -0.381098499177E+03 -0.12702E-01 -0.10353E-01 5253 0.666E-01 0.882E-01 RMM: 3 -0.381092403613E+03 0.60956E-02 -0.81951E-03 5429 0.197E-01 0.241E-01 RMM: 4 -0.381093292695E+03 -0.88908E-03 -0.14556E-03 4676 0.894E-02 0.455E-01 RMM: 5 -0.381091943926E+03 0.13488E-02 -0.57792E-04 4584 0.617E-02 0.772E-02 RMM: 6 -0.381091946356E+03 -0.24302E-05 -0.12009E-04 3845 0.276E-02 2903 T= 6862. E= 0.67622405E+03 F= 0.61946048E+03 E0= 0.64958899E+03 EK= 0.56764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381012316944E+03 0.79627E-01 -0.20290E-01 8748 0.246E+01 0.411E-01 RMM: 2 -0.381038593063E+03 -0.26276E-01 -0.10926E-01 5275 0.709E-01 0.169E+00 RMM: 3 -0.381018818629E+03 0.19774E-01 -0.12110E-02 5366 0.257E-01 0.300E-01 RMM: 4 -0.381019507967E+03 -0.68934E-03 -0.27244E-03 5139 0.121E-01 0.452E-01 RMM: 5 -0.381018292661E+03 0.12153E-02 -0.73842E-04 4605 0.685E-02 0.185E-01 RMM: 6 -0.381018108220E+03 0.18444E-03 -0.20666E-04 3885 0.369E-02 0.890E-02 RMM: 7 -0.381018196809E+03 -0.88589E-04 -0.11218E-04 3861 0.276E-02 0.151E-01 RMM: 8 -0.381018051084E+03 0.14573E-03 -0.64739E-05 3487 0.229E-02 0.330E-02 RMM: 9 -0.381018063413E+03 -0.12329E-04 -0.23368E-05 2687 0.136E-02 2904 T= 7301. E= 0.68024414E+03 F= 0.61984148E+03 E0= 0.65001714E+03 EK= 0.60403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380601774371E+03 0.41628E+00 -0.21343E-01 8496 0.250E+01 0.349E-01 RMM: 2 -0.380626544931E+03 -0.24771E-01 -0.11667E-01 5127 0.717E-01 0.155E+00 RMM: 3 -0.380609263058E+03 0.17282E-01 -0.11351E-02 5391 0.245E-01 0.252E-01 RMM: 4 -0.380609714359E+03 -0.45130E-03 -0.22324E-03 5106 0.109E-01 0.381E-01 RMM: 5 -0.380608904421E+03 0.80994E-03 -0.63414E-04 4608 0.661E-02 0.163E-01 RMM: 6 -0.380608748186E+03 0.15624E-03 -0.14571E-04 3876 0.310E-02 0.646E-02 RMM: 7 -0.380608815861E+03 -0.67675E-04 -0.73122E-05 3590 0.229E-02 0.119E-01 RMM: 8 -0.380608724838E+03 0.91022E-04 -0.38123E-05 3084 0.192E-02 0.219E-02 RMM: 9 -0.380608730991E+03 -0.61527E-05 -0.12420E-05 2478 0.974E-03 2905 T= 7394. E= 0.68171780E+03 F= 0.62054603E+03 E0= 0.65077005E+03 EK= 0.61172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379911318928E+03 0.69741E+00 -0.21545E-01 8364 0.247E+01 0.312E-01 RMM: 2 -0.379928807643E+03 -0.17489E-01 -0.11766E-01 5270 0.727E-01 0.112E+00 RMM: 3 -0.379919437466E+03 0.93702E-02 -0.95812E-03 5505 0.210E-01 0.223E-01 RMM: 4 -0.379919807711E+03 -0.37024E-03 -0.16186E-03 4807 0.960E-02 0.353E-01 RMM: 5 -0.379919034481E+03 0.77323E-03 -0.55840E-04 4552 0.607E-02 0.131E-01 RMM: 6 -0.379919014513E+03 0.19968E-04 -0.18406E-04 3891 0.353E-02 2906 T= 7095. E= 0.68022007E+03 F= 0.62152627E+03 E0= 0.65179516E+03 EK= 0.58694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379064970070E+03 0.85406E+00 -0.20026E-01 8292 0.239E+01 0.483E-01 RMM: 2 -0.379119859517E+03 -0.54889E-01 -0.13945E-01 5041 0.866E-01 0.266E+00 RMM: 3 -0.379074357426E+03 0.45502E-01 -0.23387E-02 5346 0.373E-01 0.433E-01 RMM: 4 -0.379073293855E+03 0.10636E-02 -0.29008E-03 5251 0.111E-01 0.222E-01 RMM: 5 -0.379073353362E+03 -0.59507E-04 -0.86489E-04 4610 0.747E-02 0.282E-01 RMM: 6 -0.379072909168E+03 0.44419E-03 -0.52086E-04 4575 0.605E-02 0.120E-01 RMM: 7 -0.379073107082E+03 -0.19791E-03 -0.23753E-04 3896 0.400E-02 0.209E-01 RMM: 8 -0.379072842709E+03 0.26437E-03 -0.12464E-04 3865 0.338E-02 0.641E-02 RMM: 9 -0.379072827964E+03 0.14745E-04 -0.29400E-05 2948 0.154E-02 2907 T= 6559. E= 0.67692505E+03 F= 0.62266413E+03 E0= 0.65297483E+03 EK= 0.54261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378206042130E+03 0.86680E+00 -0.17677E-01 8100 0.229E+01 0.427E-01 RMM: 2 -0.378255235187E+03 -0.49193E-01 -0.11765E-01 5195 0.783E-01 0.252E+00 RMM: 3 -0.378214171544E+03 0.41064E-01 -0.19143E-02 5360 0.337E-01 0.418E-01 RMM: 4 -0.378213042448E+03 0.11291E-02 -0.25394E-03 5028 0.107E-01 0.186E-01 RMM: 5 -0.378213092616E+03 -0.50169E-04 -0.64814E-04 4603 0.681E-02 0.237E-01 RMM: 6 -0.378212751275E+03 0.34134E-03 -0.29862E-04 3918 0.465E-02 0.823E-02 RMM: 7 -0.378212892397E+03 -0.14112E-03 -0.15251E-04 3880 0.321E-02 0.169E-01 RMM: 8 -0.378212720939E+03 0.17146E-03 -0.76840E-05 3588 0.260E-02 0.469E-02 RMM: 9 -0.378212709020E+03 0.11919E-04 -0.13915E-05 2506 0.110E-02 2908 T= 6022. E= 0.67363385E+03 F= 0.62381961E+03 E0= 0.65416360E+03 EK= 0.49814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377442901320E+03 0.76982E+00 -0.16047E-01 7872 0.221E+01 0.339E-01 RMM: 2 -0.377466261145E+03 -0.23360E-01 -0.97794E-02 5075 0.725E-01 0.159E+00 RMM: 3 -0.377449778745E+03 0.16482E-01 -0.12023E-02 5376 0.253E-01 0.275E-01 RMM: 4 -0.377449565699E+03 0.21305E-03 -0.16243E-03 4790 0.899E-02 0.250E-01 RMM: 5 -0.377449366456E+03 0.19924E-03 -0.71847E-04 4604 0.740E-02 0.218E-01 RMM: 6 -0.377449135486E+03 0.23097E-03 -0.31889E-04 3947 0.467E-02 0.118E-01 RMM: 7 -0.377449207946E+03 -0.72459E-04 -0.16357E-04 3889 0.366E-02 0.159E-01 RMM: 8 -0.377449051194E+03 0.15675E-03 -0.69073E-05 3508 0.247E-02 0.398E-02 RMM: 9 -0.377449053105E+03 -0.19117E-05 -0.18180E-05 2532 0.122E-02 2909 T= 5663. E= 0.67172645E+03 F= 0.62488056E+03 E0= 0.65525026E+03 EK= 0.46846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376832529991E+03 0.61652E+00 -0.14554E-01 8052 0.217E+01 0.292E-01 RMM: 2 -0.376847075999E+03 -0.14546E-01 -0.66609E-02 5164 0.598E-01 0.124E+00 RMM: 3 -0.376836812767E+03 0.10263E-01 -0.76629E-03 5407 0.200E-01 0.208E-01 RMM: 4 -0.376836940334E+03 -0.12757E-03 -0.11794E-03 4630 0.800E-02 0.275E-01 RMM: 5 -0.376836587843E+03 0.35249E-03 -0.47769E-04 4554 0.592E-02 0.173E-01 RMM: 6 -0.376836446043E+03 0.14180E-03 -0.20669E-04 3892 0.375E-02 0.917E-02 RMM: 7 -0.376836506572E+03 -0.60529E-04 -0.93477E-05 3758 0.279E-02 0.131E-01 RMM: 8 -0.376836397236E+03 0.10934E-03 -0.44276E-05 3218 0.203E-02 0.289E-02 RMM: 9 -0.376836401016E+03 -0.37793E-05 -0.11101E-05 2480 0.946E-03 2910 T= 5573. E= 0.67189061E+03 F= 0.62578720E+03 E0= 0.65617495E+03 EK= 0.46103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376370605789E+03 0.46579E+00 -0.14657E-01 7968 0.218E+01 0.282E-01 RMM: 2 -0.376380607257E+03 -0.10001E-01 -0.55225E-02 5096 0.539E-01 0.998E-01 RMM: 3 -0.376373953798E+03 0.66535E-02 -0.60680E-03 5388 0.176E-01 0.207E-01 RMM: 4 -0.376374432917E+03 -0.47912E-03 -0.12910E-03 4651 0.869E-02 0.350E-01 RMM: 5 -0.376373747876E+03 0.68504E-03 -0.46066E-04 4443 0.563E-02 0.157E-01 RMM: 6 -0.376373605171E+03 0.14271E-03 -0.13041E-04 3879 0.298E-02 0.639E-02 RMM: 7 -0.376373634823E+03 -0.29652E-04 -0.60814E-05 3420 0.222E-02 0.947E-02 RMM: 8 -0.376373580196E+03 0.54626E-04 -0.28990E-05 2930 0.174E-02 0.236E-02 RMM: 9 -0.376373584672E+03 -0.44753E-05 -0.94591E-06 2456 0.853E-03 2911 T= 5774. E= 0.67429803E+03 F= 0.62653413E+03 E0= 0.65693388E+03 EK= 0.47764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376011137384E+03 0.36244E+00 -0.15577E-01 8220 0.225E+01 0.293E-01 RMM: 2 -0.376019610577E+03 -0.84732E-02 -0.55599E-02 5174 0.554E-01 0.903E-01 RMM: 3 -0.376014425486E+03 0.51851E-02 -0.58489E-03 5401 0.170E-01 0.219E-01 RMM: 4 -0.376015015650E+03 -0.59016E-03 -0.12956E-03 4633 0.861E-02 0.382E-01 RMM: 5 -0.376014127114E+03 0.88854E-03 -0.44943E-04 4327 0.544E-02 0.125E-01 RMM: 6 -0.376014037797E+03 0.89317E-04 -0.93469E-05 3719 0.258E-02 0.564E-02 RMM: 7 -0.376014067896E+03 -0.30100E-04 -0.49005E-05 3192 0.195E-02 0.924E-02 RMM: 8 -0.376014015599E+03 0.52298E-04 -0.29188E-05 2855 0.175E-02 0.239E-02 RMM: 9 -0.376014020643E+03 -0.50439E-05 -0.10710E-05 2459 0.909E-03 2912 T= 6227. E= 0.67867444E+03 F= 0.62716259E+03 E0= 0.65756798E+03 EK= 0.51512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375672141972E+03 0.34187E+00 -0.16734E-01 8460 0.235E+01 0.297E-01 RMM: 2 -0.375680109470E+03 -0.79675E-02 -0.64560E-02 5269 0.595E-01 0.781E-01 RMM: 3 -0.375676236491E+03 0.38730E-02 -0.59949E-03 5459 0.167E-01 0.243E-01 RMM: 4 -0.375676760000E+03 -0.52351E-03 -0.12800E-03 4647 0.863E-02 0.385E-01 RMM: 5 -0.375675836773E+03 0.92323E-03 -0.49539E-04 4443 0.571E-02 0.114E-01 RMM: 6 -0.375675760978E+03 0.75796E-04 -0.79768E-05 3597 0.233E-02 0.540E-02 RMM: 7 -0.375675780086E+03 -0.19108E-04 -0.47258E-05 3159 0.193E-02 2913 T= 6812. E= 0.68410697E+03 F= 0.62775237E+03 E0= 0.65815865E+03 EK= 0.56355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375257421686E+03 0.41834E+00 -0.17753E-01 8580 0.245E+01 0.316E-01 RMM: 2 -0.375267420588E+03 -0.99989E-02 -0.79447E-02 5283 0.660E-01 0.863E-01 RMM: 3 -0.375262796231E+03 0.46244E-02 -0.76644E-03 5458 0.189E-01 0.267E-01 RMM: 4 -0.375263306970E+03 -0.51074E-03 -0.14890E-03 4673 0.924E-02 0.402E-01 RMM: 5 -0.375262256928E+03 0.10500E-02 -0.56304E-04 4534 0.612E-02 0.937E-02 RMM: 6 -0.375262222711E+03 0.34216E-04 -0.77997E-05 3572 0.226E-02 0.714E-02 RMM: 7 -0.375262227041E+03 -0.43298E-05 -0.53273E-05 3255 0.195E-02 2914 T= 7314. E= 0.68890527E+03 F= 0.62840177E+03 E0= 0.65880651E+03 EK= 0.60503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374694216358E+03 0.56801E+00 -0.18892E-01 8376 0.251E+01 0.309E-01 RMM: 2 -0.374707335200E+03 -0.13119E-01 -0.84992E-02 5271 0.670E-01 0.105E+00 RMM: 3 -0.374699950508E+03 0.73847E-02 -0.82087E-03 5437 0.199E-01 0.244E-01 RMM: 4 -0.374700489434E+03 -0.53893E-03 -0.15500E-03 4699 0.932E-02 0.388E-01 RMM: 5 -0.374699583152E+03 0.90628E-03 -0.49563E-04 4478 0.572E-02 0.134E-01 RMM: 6 -0.374699471378E+03 0.11177E-03 -0.11106E-04 3833 0.273E-02 0.517E-02 RMM: 7 -0.374699497533E+03 -0.26154E-04 -0.50011E-05 3253 0.194E-02 0.896E-02 RMM: 8 -0.374699450599E+03 0.46934E-04 -0.30630E-05 2799 0.168E-02 0.318E-02 RMM: 9 -0.374699456227E+03 -0.56285E-05 -0.17286E-05 2493 0.115E-02 2915 T= 7492. E= 0.69117005E+03 F= 0.62918942E+03 E0= 0.65959008E+03 EK= 0.61981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373970568270E+03 0.72888E+00 -0.19135E-01 8076 0.250E+01 0.262E-01 RMM: 2 -0.373981105760E+03 -0.10537E-01 -0.78996E-02 5385 0.606E-01 0.832E-01 RMM: 3 -0.373975843590E+03 0.52622E-02 -0.62314E-03 5391 0.175E-01 0.189E-01 RMM: 4 -0.373976390953E+03 -0.54736E-03 -0.10335E-03 4648 0.756E-02 0.353E-01 RMM: 5 -0.373975596410E+03 0.79454E-03 -0.34517E-04 4030 0.478E-02 0.103E-01 RMM: 6 -0.373975547103E+03 0.49307E-04 -0.96651E-05 3749 0.265E-02 0.641E-02 RMM: 7 -0.373975577892E+03 -0.30789E-04 -0.51440E-05 3229 0.192E-02 0.999E-02 RMM: 8 -0.373975515849E+03 0.62043E-04 -0.35566E-05 2953 0.187E-02 0.246E-02 RMM: 9 -0.373975519236E+03 -0.33868E-05 -0.11156E-05 2464 0.930E-03 2916 T= 7249. E= 0.69009956E+03 F= 0.63013325E+03 E0= 0.66053119E+03 EK= 0.59966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373147857288E+03 0.82766E+00 -0.18617E-01 7728 0.243E+01 0.244E-01 RMM: 2 -0.373158849477E+03 -0.10992E-01 -0.79700E-02 5264 0.627E-01 0.852E-01 RMM: 3 -0.373153553169E+03 0.52963E-02 -0.67775E-03 5466 0.177E-01 0.194E-01 RMM: 4 -0.373153630506E+03 -0.77337E-04 -0.92805E-04 4662 0.729E-02 0.244E-01 RMM: 5 -0.373153337084E+03 0.29342E-03 -0.32721E-04 4137 0.485E-02 0.150E-01 RMM: 6 -0.373153220657E+03 0.11643E-03 -0.13278E-04 3882 0.312E-02 0.788E-02 RMM: 7 -0.373153268012E+03 -0.47355E-04 -0.90761E-05 3750 0.261E-02 0.117E-01 RMM: 8 -0.373153183568E+03 0.84445E-04 -0.42852E-05 3180 0.202E-02 0.285E-02 RMM: 9 -0.373153186028E+03 -0.24599E-05 -0.11603E-05 2474 0.949E-03 2917 T= 6709. E= 0.68668074E+03 F= 0.63117574E+03 E0= 0.66157375E+03 EK= 0.55505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372332091830E+03 0.82109E+00 -0.17228E-01 7992 0.233E+01 0.226E-01 RMM: 2 -0.372343478966E+03 -0.11387E-01 -0.78693E-02 5346 0.634E-01 0.878E-01 RMM: 3 -0.372337914843E+03 0.55641E-02 -0.62145E-03 5627 0.167E-01 0.192E-01 RMM: 4 -0.372337800959E+03 0.11388E-03 -0.69454E-04 4634 0.620E-02 0.184E-01 RMM: 5 -0.372337615392E+03 0.18557E-03 -0.35038E-04 4438 0.529E-02 0.121E-01 RMM: 6 -0.372337614010E+03 0.13819E-05 -0.17534E-04 3877 0.346E-02 2918 T= 6120. E= 0.68284485E+03 F= 0.63221453E+03 E0= 0.66261398E+03 EK= 0.50630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371619578084E+03 0.71804E+00 -0.15671E-01 7992 0.224E+01 0.390E-01 RMM: 2 -0.371655636544E+03 -0.36058E-01 -0.83093E-02 5347 0.684E-01 0.219E+00 RMM: 3 -0.371624932422E+03 0.30704E-01 -0.14305E-02 5346 0.296E-01 0.363E-01 RMM: 4 -0.371624141112E+03 0.79131E-03 -0.16835E-03 4665 0.859E-02 0.178E-01 RMM: 5 -0.371624184996E+03 -0.43884E-04 -0.59951E-04 4604 0.678E-02 0.228E-01 RMM: 6 -0.371623911314E+03 0.27368E-03 -0.40721E-04 4558 0.547E-02 0.113E-01 RMM: 7 -0.371624031212E+03 -0.11990E-03 -0.22486E-04 3893 0.397E-02 0.174E-01 RMM: 8 -0.371623851929E+03 0.17928E-03 -0.12594E-04 3866 0.348E-02 0.598E-02 RMM: 9 -0.371623840305E+03 0.11624E-04 -0.19377E-05 2575 0.130E-02 2919 T= 5688. E= 0.68020984E+03 F= 0.63315393E+03 E0= 0.66355912E+03 EK= 0.47056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371061745830E+03 0.56211E+00 -0.14561E-01 8004 0.218E+01 0.371E-01 RMM: 2 -0.371096547127E+03 -0.34801E-01 -0.69700E-02 5355 0.619E-01 0.215E+00 RMM: 3 -0.371066297602E+03 0.30250E-01 -0.13350E-02 5314 0.288E-01 0.406E-01 RMM: 4 -0.371065232155E+03 0.10654E-02 -0.17633E-03 4729 0.913E-02 0.138E-01 RMM: 5 -0.371065398400E+03 -0.16624E-03 -0.40115E-04 4441 0.521E-02 0.223E-01 RMM: 6 -0.371065077646E+03 0.32075E-03 -0.18299E-04 3873 0.376E-02 0.557E-02 RMM: 7 -0.371065114229E+03 -0.36583E-04 -0.84902E-05 3616 0.247E-02 0.949E-02 RMM: 8 -0.371065062538E+03 0.51692E-04 -0.35833E-05 3027 0.195E-02 0.321E-02 RMM: 9 -0.371065057825E+03 0.47124E-05 -0.69062E-06 2452 0.770E-03 2920 T= 5523. E= 0.67963105E+03 F= 0.63393713E+03 E0= 0.66434748E+03 EK= 0.45694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370656588741E+03 0.40847E+00 -0.14636E-01 8100 0.218E+01 0.291E-01 RMM: 2 -0.370673673657E+03 -0.17085E-01 -0.63760E-02 5279 0.577E-01 0.140E+00 RMM: 3 -0.370660817256E+03 0.12856E-01 -0.78174E-03 5356 0.208E-01 0.260E-01 RMM: 4 -0.370660576092E+03 0.24116E-03 -0.11518E-03 4632 0.744E-02 0.197E-01 RMM: 5 -0.370660528004E+03 0.48087E-04 -0.38615E-04 4469 0.538E-02 0.195E-01 RMM: 6 -0.370660287939E+03 0.24007E-03 -0.14345E-04 3870 0.319E-02 0.544E-02 RMM: 7 -0.370660345375E+03 -0.57436E-04 -0.87148E-05 3655 0.255E-02 0.110E-01 RMM: 8 -0.370660274324E+03 0.71051E-04 -0.38248E-05 3106 0.197E-02 0.356E-02 RMM: 9 -0.370660269306E+03 0.50176E-05 -0.86713E-06 2464 0.839E-03 2921 T= 5660. E= 0.68138107E+03 F= 0.63455990E+03 E0= 0.66497541E+03 EK= 0.46821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370355771878E+03 0.30450E+00 -0.15618E-01 8376 0.224E+01 0.241E-01 RMM: 2 -0.370363375896E+03 -0.76040E-02 -0.61451E-02 5380 0.545E-01 0.700E-01 RMM: 3 -0.370359877208E+03 0.34987E-02 -0.50375E-03 5488 0.153E-01 0.184E-01 RMM: 4 -0.370360177635E+03 -0.30043E-03 -0.85508E-04 4635 0.692E-02 0.289E-01 RMM: 5 -0.370359694366E+03 0.48327E-03 -0.26048E-04 3879 0.402E-02 0.123E-01 RMM: 6 -0.370359605308E+03 0.89058E-04 -0.77850E-05 3553 0.251E-02 0.451E-02 RMM: 7 -0.370359642392E+03 -0.37084E-04 -0.39921E-05 3030 0.177E-02 0.892E-02 RMM: 8 -0.370359597535E+03 0.44857E-04 -0.26359E-05 2669 0.167E-02 0.296E-02 RMM: 9 -0.370359594952E+03 0.25823E-05 -0.87537E-06 2445 0.844E-03 2922 T= 6072. E= 0.68529864E+03 F= 0.63506744E+03 E0= 0.66548551E+03 EK= 0.50231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370066172642E+03 0.29342E+00 -0.17593E-01 8472 0.233E+01 0.270E-01 RMM: 2 -0.370077660171E+03 -0.11488E-01 -0.83170E-02 5368 0.640E-01 0.914E-01 RMM: 3 -0.370072022241E+03 0.56379E-02 -0.74932E-03 5524 0.183E-01 0.197E-01 RMM: 4 -0.370072396379E+03 -0.37414E-03 -0.11747E-03 4636 0.799E-02 0.320E-01 RMM: 5 -0.370071779929E+03 0.61645E-03 -0.33069E-04 3922 0.455E-02 0.119E-01 RMM: 6 -0.370071692283E+03 0.87646E-04 -0.68002E-05 3463 0.234E-02 0.426E-02 RMM: 7 -0.370071713573E+03 -0.21290E-04 -0.37774E-05 2957 0.170E-02 0.772E-02 RMM: 8 -0.370071679319E+03 0.34255E-04 -0.30537E-05 2691 0.173E-02 0.305E-02 RMM: 9 -0.370071679039E+03 0.27951E-06 -0.12565E-05 2465 0.102E-02 2923 T= 6660. E= 0.69064154E+03 F= 0.63554870E+03 E0= 0.66596531E+03 EK= 0.55093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369674959771E+03 0.39672E+00 -0.19769E-01 8832 0.243E+01 0.282E-01 RMM: 2 -0.369687130273E+03 -0.12171E-01 -0.97930E-02 5430 0.686E-01 0.864E-01 RMM: 3 -0.369682072492E+03 0.50578E-02 -0.84768E-03 5588 0.189E-01 0.218E-01 RMM: 4 -0.369682405629E+03 -0.33314E-03 -0.13176E-03 4641 0.855E-02 0.326E-01 RMM: 5 -0.369681742246E+03 0.66338E-03 -0.38103E-04 3913 0.489E-02 0.119E-01 RMM: 6 -0.369681656875E+03 0.85372E-04 -0.74221E-05 3526 0.241E-02 0.467E-02 RMM: 7 -0.369681669333E+03 -0.12458E-04 -0.33276E-05 2821 0.165E-02 2924 T= 7221. E= 0.69585599E+03 F= 0.63611911E+03 E0= 0.66652818E+03 EK= 0.59737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369079506601E+03 0.60215E+00 -0.22220E-01 8940 0.250E+01 0.303E-01 RMM: 2 -0.369096960695E+03 -0.17454E-01 -0.11951E-01 5427 0.744E-01 0.111E+00 RMM: 3 -0.369088335083E+03 0.86256E-02 -0.10416E-02 5449 0.215E-01 0.256E-01 RMM: 4 -0.369088476790E+03 -0.14171E-03 -0.16153E-03 4668 0.913E-02 0.308E-01 RMM: 5 -0.369087911130E+03 0.56566E-03 -0.37070E-04 3990 0.480E-02 0.121E-01 RMM: 6 -0.369087826252E+03 0.84879E-04 -0.65645E-05 3453 0.228E-02 0.510E-02 RMM: 7 -0.369087853391E+03 -0.27139E-04 -0.60812E-05 3389 0.200E-02 0.909E-02 RMM: 8 -0.369087806874E+03 0.46517E-04 -0.49667E-05 3229 0.207E-02 0.335E-02 RMM: 9 -0.369087814800E+03 -0.79258E-05 -0.18009E-05 2516 0.124E-02 2925 T= 7500. E= 0.69892681E+03 F= 0.63688359E+03 E0= 0.66727788E+03 EK= 0.62043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368237746596E+03 0.85006E+00 -0.23163E-01 8808 0.250E+01 0.259E-01 RMM: 2 -0.368252869867E+03 -0.15123E-01 -0.13389E-01 5359 0.758E-01 0.769E-01 RMM: 3 -0.368247844192E+03 0.50257E-02 -0.10174E-02 5660 0.205E-01 0.193E-01 RMM: 4 -0.368248132658E+03 -0.28847E-03 -0.11785E-03 4678 0.778E-02 0.301E-01 RMM: 5 -0.368247602252E+03 0.53041E-03 -0.29702E-04 3915 0.422E-02 0.131E-01 RMM: 6 -0.368247495017E+03 0.10723E-03 -0.92814E-05 3682 0.270E-02 0.391E-02 RMM: 7 -0.368247520790E+03 -0.25773E-04 -0.39265E-05 2962 0.177E-02 0.812E-02 RMM: 8 -0.368247482214E+03 0.38576E-04 -0.29670E-05 2631 0.164E-02 0.234E-02 RMM: 9 -0.368247486580E+03 -0.43656E-05 -0.12456E-05 2467 0.993E-03 2926 T= 7343. E= 0.69863908E+03 F= 0.63788929E+03 E0= 0.66826278E+03 EK= 0.60750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367186597955E+03 0.10609E+01 -0.23287E-01 8616 0.243E+01 0.219E-01 RMM: 2 -0.367202348417E+03 -0.15750E-01 -0.13519E-01 5368 0.745E-01 0.756E-01 RMM: 3 -0.367197014273E+03 0.53341E-02 -0.89613E-03 5774 0.191E-01 0.162E-01 RMM: 4 -0.367197122567E+03 -0.10829E-03 -0.92560E-04 4690 0.706E-02 0.236E-01 RMM: 5 -0.367196780735E+03 0.34183E-03 -0.25494E-04 3898 0.408E-02 0.941E-02 RMM: 6 -0.367196758503E+03 0.22233E-04 -0.76700E-05 3557 0.244E-02 0.765E-02 RMM: 7 -0.367196771714E+03 -0.13212E-04 -0.52819E-05 3291 0.203E-02 2927 T= 6831. E= 0.69561669E+03 F= 0.63910437E+03 E0= 0.66945412E+03 EK= 0.56512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366017637165E+03 0.11791E+01 -0.21980E-01 8712 0.233E+01 0.202E-01 RMM: 2 -0.366031865886E+03 -0.14229E-01 -0.13086E-01 5415 0.735E-01 0.615E-01 RMM: 3 -0.366027719424E+03 0.41465E-02 -0.77393E-03 5915 0.181E-01 0.158E-01 RMM: 4 -0.366027710337E+03 0.90868E-05 -0.68510E-04 4678 0.594E-02 0.198E-01 RMM: 5 -0.366027455750E+03 0.25459E-03 -0.24312E-04 3939 0.422E-02 0.795E-02 RMM: 6 -0.366027537123E+03 -0.81373E-04 -0.13812E-04 3874 0.308E-02 0.137E-01 RMM: 7 -0.366027460644E+03 0.76478E-04 -0.68521E-05 3545 0.244E-02 0.823E-02 RMM: 8 -0.366027421030E+03 0.39614E-04 -0.25537E-05 2760 0.152E-02 0.267E-02 RMM: 9 -0.366027433189E+03 -0.12158E-04 -0.15341E-05 2480 0.110E-02 2928 T= 6205. E= 0.69177260E+03 F= 0.64043963E+03 E0= 0.67076690E+03 EK= 0.51333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364824676044E+03 0.12027E+01 -0.20402E-01 8784 0.222E+01 0.193E-01 RMM: 2 -0.364840413944E+03 -0.15738E-01 -0.12877E-01 5354 0.735E-01 0.804E-01 RMM: 3 -0.364834784275E+03 0.56297E-02 -0.83661E-03 5835 0.185E-01 0.163E-01 RMM: 4 -0.364834666836E+03 0.11744E-03 -0.68840E-04 4688 0.590E-02 0.160E-01 RMM: 5 -0.364834500538E+03 0.16630E-03 -0.20479E-04 3893 0.401E-02 0.855E-02 RMM: 6 -0.364834510300E+03 -0.97619E-05 -0.11025E-04 3845 0.285E-02 2929 T= 5697. E= 0.68893251E+03 F= 0.64180002E+03 E0= 0.67210921E+03 EK= 0.47132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363670596699E+03 0.11639E+01 -0.18897E-01 8520 0.215E+01 0.311E-01 RMM: 2 -0.363699077507E+03 -0.28481E-01 -0.12400E-01 5417 0.737E-01 0.166E+00 RMM: 3 -0.363679695883E+03 0.19382E-01 -0.11911E-02 5395 0.245E-01 0.233E-01 RMM: 4 -0.363679438329E+03 0.25755E-03 -0.13330E-03 4718 0.764E-02 0.172E-01 RMM: 5 -0.363679346105E+03 0.92224E-04 -0.35332E-04 4271 0.495E-02 0.155E-01 RMM: 6 -0.363679237755E+03 0.10835E-03 -0.17407E-04 3881 0.349E-02 0.901E-02 RMM: 7 -0.363679323050E+03 -0.85295E-04 -0.11598E-04 3860 0.289E-02 0.143E-01 RMM: 8 -0.363679199869E+03 0.12318E-03 -0.62001E-05 3400 0.235E-02 0.401E-02 RMM: 9 -0.363679197559E+03 0.23101E-05 -0.14975E-05 2509 0.112E-02 2930 T= 5444. E= 0.68815521E+03 F= 0.64312188E+03 E0= 0.67341841E+03 EK= 0.45033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362571364505E+03 0.11078E+01 -0.18061E-01 8868 0.214E+01 0.269E-01 RMM: 2 -0.362595812534E+03 -0.24448E-01 -0.10885E-01 5365 0.672E-01 0.151E+00 RMM: 3 -0.362579267168E+03 0.16545E-01 -0.10049E-02 5371 0.231E-01 0.246E-01 RMM: 4 -0.362578927429E+03 0.33974E-03 -0.12714E-03 4689 0.748E-02 0.135E-01 RMM: 5 -0.362578881433E+03 0.45996E-04 -0.21771E-04 3900 0.391E-02 0.131E-01 RMM: 6 -0.362578777481E+03 0.10395E-03 -0.70876E-05 3489 0.243E-02 0.434E-02 RMM: 7 -0.362578813437E+03 -0.35956E-04 -0.50472E-05 3200 0.195E-02 0.882E-02 RMM: 8 -0.362578765720E+03 0.47717E-04 -0.31615E-05 2848 0.184E-02 0.201E-02 RMM: 9 -0.362578765944E+03 -0.22444E-06 -0.75293E-06 2445 0.763E-03 2931 T= 5497. E= 0.68985702E+03 F= 0.64438394E+03 E0= 0.67467517E+03 EK= 0.45473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361505203110E+03 0.10736E+01 -0.19491E-01 8628 0.219E+01 0.256E-01 RMM: 2 -0.361525994773E+03 -0.20792E-01 -0.12283E-01 5351 0.730E-01 0.126E+00 RMM: 3 -0.361514580097E+03 0.11415E-01 -0.97869E-03 5533 0.210E-01 0.200E-01 RMM: 4 -0.361514477994E+03 0.10210E-03 -0.10860E-03 4677 0.722E-02 0.193E-01 RMM: 5 -0.361514297748E+03 0.18025E-03 -0.20643E-04 3883 0.354E-02 0.125E-01 RMM: 6 -0.361514205833E+03 0.91915E-04 -0.73984E-05 3497 0.241E-02 0.496E-02 RMM: 7 -0.361514249990E+03 -0.44158E-04 -0.67539E-05 3514 0.220E-02 0.988E-02 RMM: 8 -0.361514189907E+03 0.60084E-04 -0.33458E-05 2946 0.180E-02 0.240E-02 RMM: 9 -0.361514189576E+03 0.33108E-06 -0.97125E-06 2452 0.881E-03 2932 T= 5855. E= 0.69404095E+03 F= 0.64560134E+03 E0= 0.67589482E+03 EK= 0.48440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360432694077E+03 0.10815E+01 -0.19510E-01 8892 0.228E+01 0.217E-01 RMM: 2 -0.360446437195E+03 -0.13743E-01 -0.11580E-01 5517 0.685E-01 0.749E-01 RMM: 3 -0.360441333784E+03 0.51034E-02 -0.69938E-03 5775 0.169E-01 0.159E-01 RMM: 4 -0.360441468680E+03 -0.13490E-03 -0.80409E-04 4667 0.643E-02 0.240E-01 RMM: 5 -0.360441105665E+03 0.36302E-03 -0.20495E-04 3880 0.352E-02 0.911E-02 RMM: 6 -0.360441059265E+03 0.46400E-04 -0.51402E-05 3264 0.206E-02 0.429E-02 RMM: 7 -0.360441082392E+03 -0.23127E-04 -0.40662E-05 2893 0.169E-02 0.813E-02 RMM: 8 -0.360441043002E+03 0.39390E-04 -0.30284E-05 2599 0.165E-02 0.202E-02 RMM: 9 -0.360441047546E+03 -0.45439E-05 -0.11007E-05 2454 0.930E-03 2933 T= 6454. E= 0.70021126E+03 F= 0.64681620E+03 E0= 0.67711948E+03 EK= 0.53395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359302814438E+03 0.11382E+01 -0.21251E-01 8928 0.240E+01 0.237E-01 RMM: 2 -0.359318135983E+03 -0.15322E-01 -0.12870E-01 5513 0.735E-01 0.826E-01 RMM: 3 -0.359312457430E+03 0.56786E-02 -0.81699E-03 5958 0.177E-01 0.177E-01 RMM: 4 -0.359312517721E+03 -0.60291E-04 -0.96254E-04 4654 0.722E-02 0.247E-01 RMM: 5 -0.359312129052E+03 0.38867E-03 -0.24617E-04 3896 0.394E-02 0.916E-02 RMM: 6 -0.359312080291E+03 0.48761E-04 -0.45424E-05 3176 0.194E-02 0.450E-02 RMM: 7 -0.359312090916E+03 -0.10625E-04 -0.40903E-05 2971 0.177E-02 2934 T= 7125. E= 0.70701622E+03 F= 0.64807575E+03 E0= 0.67839570E+03 EK= 0.58940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358100177173E+03 0.12119E+01 -0.22738E-01 8856 0.249E+01 0.244E-01 RMM: 2 -0.358116126664E+03 -0.15949E-01 -0.13726E-01 5496 0.775E-01 0.814E-01 RMM: 3 -0.358110697235E+03 0.54294E-02 -0.92002E-03 6036 0.188E-01 0.191E-01 RMM: 4 -0.358110702586E+03 -0.53513E-05 -0.91641E-04 4662 0.695E-02 0.247E-01 RMM: 5 -0.358110298379E+03 0.40421E-03 -0.23610E-04 3887 0.385E-02 0.756E-02 RMM: 6 -0.358110277056E+03 0.21323E-04 -0.43992E-05 3154 0.190E-02 0.563E-02 RMM: 7 -0.358110290663E+03 -0.13607E-04 -0.56545E-05 3303 0.188E-02 2935 T= 7594. E= 0.71222210E+03 F= 0.64939919E+03 E0= 0.67974062E+03 EK= 0.62823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356875256747E+03 0.12350E+01 -0.23589E-01 8784 0.253E+01 0.247E-01 RMM: 2 -0.356893259430E+03 -0.18003E-01 -0.14456E-01 5473 0.798E-01 0.937E-01 RMM: 3 -0.356886336046E+03 0.69234E-02 -0.97483E-03 5981 0.194E-01 0.195E-01 RMM: 4 -0.356886282182E+03 0.53863E-04 -0.96864E-04 4647 0.720E-02 0.230E-01 RMM: 5 -0.356885962844E+03 0.31934E-03 -0.22146E-04 3893 0.374E-02 0.110E-01 RMM: 6 -0.356885891903E+03 0.70942E-04 -0.68924E-05 3440 0.240E-02 0.475E-02 RMM: 7 -0.356885917267E+03 -0.25364E-04 -0.45246E-05 3069 0.178E-02 0.890E-02 RMM: 8 -0.356885871994E+03 0.45273E-04 -0.53274E-05 3158 0.198E-02 0.339E-02 RMM: 9 -0.356885869606E+03 0.23874E-05 -0.16388E-05 2479 0.115E-02 2936 T= 7623. E= 0.71379872E+03 F= 0.65073985E+03 E0= 0.68110554E+03 EK= 0.63059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355751555772E+03 0.11343E+01 -0.22871E-01 8676 0.249E+01 0.231E-01 RMM: 2 -0.355769636247E+03 -0.18080E-01 -0.13847E-01 5445 0.781E-01 0.964E-01 RMM: 3 -0.355762321062E+03 0.73152E-02 -0.94258E-03 5883 0.195E-01 0.181E-01 RMM: 4 -0.355762217817E+03 0.10325E-03 -0.80820E-04 4655 0.647E-02 0.194E-01 RMM: 5 -0.355761983420E+03 0.23440E-03 -0.18046E-04 3884 0.340E-02 0.986E-02 RMM: 6 -0.355761932236E+03 0.51184E-04 -0.70370E-05 3472 0.240E-02 0.581E-02 RMM: 7 -0.355761970920E+03 -0.38683E-04 -0.73946E-05 3651 0.215E-02 0.106E-01 RMM: 8 -0.355761898770E+03 0.72150E-04 -0.49393E-05 3147 0.197E-02 0.304E-02 RMM: 9 -0.355761896327E+03 0.24422E-05 -0.13855E-05 2465 0.104E-02 2937 T= 7199. E= 0.71153452E+03 F= 0.65197846E+03 E0= 0.68236906E+03 EK= 0.59556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354879583104E+03 0.88232E+00 -0.20398E-01 8532 0.239E+01 0.211E-01 RMM: 2 -0.354896402695E+03 -0.16820E-01 -0.12636E-01 5358 0.764E-01 0.945E-01 RMM: 3 -0.354889613638E+03 0.67891E-02 -0.94908E-03 5881 0.193E-01 0.177E-01 RMM: 4 -0.354889399700E+03 0.21394E-03 -0.71728E-04 4645 0.606E-02 0.144E-01 RMM: 5 -0.354889275519E+03 0.12418E-03 -0.14957E-04 3885 0.325E-02 0.942E-02 RMM: 6 -0.354889246142E+03 0.29377E-04 -0.64438E-05 3427 0.226E-02 0.751E-02 RMM: 7 -0.354889278584E+03 -0.32443E-04 -0.80872E-05 3731 0.239E-02 0.108E-01 RMM: 8 -0.354889205572E+03 0.73013E-04 -0.43162E-05 3132 0.190E-02 0.326E-02 RMM: 9 -0.354889204127E+03 0.14444E-05 -0.14264E-05 2477 0.106E-02 2938 T= 6553. E= 0.70717883E+03 F= 0.65296706E+03 E0= 0.68338225E+03 EK= 0.54212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354376998627E+03 0.51221E+00 -0.17449E-01 8304 0.229E+01 0.217E-01 RMM: 2 -0.354393306727E+03 -0.16308E-01 -0.10574E-01 5309 0.719E-01 0.106E+00 RMM: 3 -0.354385314070E+03 0.79927E-02 -0.91273E-03 5703 0.193E-01 0.188E-01 RMM: 4 -0.354385057252E+03 0.25682E-03 -0.72363E-04 4663 0.587E-02 0.126E-01 RMM: 5 -0.354384965703E+03 0.91550E-04 -0.14622E-04 3883 0.328E-02 0.955E-02 RMM: 6 -0.354384934767E+03 0.30936E-04 -0.65704E-05 3432 0.228E-02 0.764E-02 RMM: 7 -0.354384970728E+03 -0.35962E-04 -0.82377E-05 3710 0.242E-02 0.110E-01 RMM: 8 -0.354384895422E+03 0.75306E-04 -0.45705E-05 3183 0.197E-02 0.343E-02 RMM: 9 -0.354384893676E+03 0.17463E-05 -0.14820E-05 2483 0.109E-02 2939 T= 5965. E= 0.70293478E+03 F= 0.65358974E+03 E0= 0.68402905E+03 EK= 0.49345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354292281955E+03 0.92613E-01 -0.15147E-01 8184 0.221E+01 0.178E-01 RMM: 2 -0.354303220991E+03 -0.10939E-01 -0.75626E-02 5309 0.612E-01 0.839E-01 RMM: 3 -0.354298150922E+03 0.50701E-02 -0.60120E-03 5645 0.157E-01 0.154E-01 RMM: 4 -0.354298022027E+03 0.12890E-03 -0.52867E-04 4591 0.510E-02 0.124E-01 RMM: 5 -0.354297929984E+03 0.92044E-04 -0.12456E-04 3880 0.300E-02 0.870E-02 RMM: 6 -0.354297910983E+03 0.19000E-04 -0.64144E-05 3432 0.224E-02 2940 T= 5616. E= 0.70025476E+03 F= 0.65379679E+03 E0= 0.68426047E+03 EK= 0.46458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354602485398E+03 -0.30456E+00 -0.13747E-01 8148 0.220E+01 0.348E-01 RMM: 2 -0.354631614324E+03 -0.29129E-01 -0.62786E-02 5346 0.588E-01 0.196E+00 RMM: 3 -0.354606243715E+03 0.25371E-01 -0.11795E-02 5346 0.270E-01 0.326E-01 RMM: 4 -0.354605565964E+03 0.67775E-03 -0.13941E-03 4634 0.781E-02 0.131E-01 RMM: 5 -0.354605626329E+03 -0.60366E-04 -0.29500E-04 3927 0.427E-02 0.180E-01 RMM: 6 -0.354605435470E+03 0.19086E-03 -0.14322E-04 3884 0.341E-02 0.736E-02 RMM: 7 -0.354605457129E+03 -0.21659E-04 -0.77307E-05 3552 0.240E-02 0.937E-02 RMM: 8 -0.354605433649E+03 0.23480E-04 -0.43841E-05 3133 0.199E-02 0.720E-02 RMM: 9 -0.354605403039E+03 0.30610E-04 -0.20671E-05 2577 0.142E-02 0.180E-02 RMM: 10 -0.354605409279E+03 -0.62395E-05 -0.75057E-06 2444 0.762E-03 2941 T= 5576. E= 0.69973895E+03 F= 0.65360877E+03 E0= 0.68409718E+03 EK= 0.46130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355223147976E+03 -0.61774E+00 -0.13738E-01 7656 0.224E+01 0.281E-01 RMM: 2 -0.355242339274E+03 -0.19191E-01 -0.52542E-02 5300 0.536E-01 0.154E+00 RMM: 3 -0.355226653501E+03 0.15686E-01 -0.82843E-03 5348 0.220E-01 0.295E-01 RMM: 4 -0.355226119751E+03 0.53375E-03 -0.12385E-03 4626 0.770E-02 0.133E-01 RMM: 5 -0.355226157239E+03 -0.37488E-04 -0.22053E-04 3893 0.383E-02 0.160E-01 RMM: 6 -0.355225988658E+03 0.16858E-03 -0.82628E-05 3567 0.269E-02 0.365E-02 RMM: 7 -0.355225984721E+03 0.39373E-05 -0.15619E-05 2520 0.113E-02 2942 T= 5842. E= 0.70143120E+03 F= 0.65310429E+03 E0= 0.68361841E+03 EK= 0.48327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356024432233E+03 -0.79844E+00 -0.14442E-01 8328 0.233E+01 0.275E-01 RMM: 2 -0.356037486296E+03 -0.13054E-01 -0.56659E-02 5368 0.574E-01 0.121E+00 RMM: 3 -0.356028040886E+03 0.94454E-02 -0.68068E-03 5359 0.194E-01 0.244E-01 RMM: 4 -0.356027867145E+03 0.17374E-03 -0.10649E-03 4608 0.730E-02 0.204E-01 RMM: 5 -0.356027718975E+03 0.14817E-03 -0.25110E-04 3886 0.402E-02 0.158E-01 RMM: 6 -0.356027560394E+03 0.15858E-03 -0.10170E-04 3705 0.295E-02 0.465E-02 RMM: 7 -0.356027571359E+03 -0.10965E-04 -0.34869E-05 2900 0.170E-02 2943 T= 6343. E= 0.70488557E+03 F= 0.65241326E+03 E0= 0.68295314E+03 EK= 0.52472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356837700269E+03 -0.81014E+00 -0.15694E-01 8280 0.245E+01 0.260E-01 RMM: 2 -0.356848747550E+03 -0.11047E-01 -0.70050E-02 5309 0.637E-01 0.981E-01 RMM: 3 -0.356842644535E+03 0.61030E-02 -0.76213E-03 5415 0.192E-01 0.210E-01 RMM: 4 -0.356842729714E+03 -0.85179E-04 -0.10127E-03 4616 0.719E-02 0.255E-01 RMM: 5 -0.356842336781E+03 0.39293E-03 -0.25550E-04 3893 0.414E-02 0.987E-02 RMM: 6 -0.356842276327E+03 0.60454E-04 -0.47881E-05 3189 0.201E-02 0.388E-02 RMM: 7 -0.356842279135E+03 -0.28082E-05 -0.24380E-05 2544 0.145E-02 2944 T= 6922. E= 0.70896931E+03 F= 0.65170287E+03 E0= 0.68226775E+03 EK= 0.57266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357497978930E+03 -0.65570E+00 -0.17571E-01 8028 0.255E+01 0.280E-01 RMM: 2 -0.357513297839E+03 -0.15319E-01 -0.91843E-02 5238 0.720E-01 0.113E+00 RMM: 3 -0.357504852782E+03 0.84451E-02 -0.97964E-03 5426 0.218E-01 0.265E-01 RMM: 4 -0.357504590675E+03 0.26211E-03 -0.12850E-03 4643 0.795E-02 0.209E-01 RMM: 5 -0.357504407092E+03 0.18358E-03 -0.28449E-04 3904 0.425E-02 0.157E-01 RMM: 6 -0.357504242212E+03 0.16488E-03 -0.10801E-04 3790 0.298E-02 0.424E-02 RMM: 7 -0.357504250460E+03 -0.82477E-05 -0.43792E-05 2999 0.188E-02 2945 T= 7343. E= 0.71188872E+03 F= 0.65113983E+03 E0= 0.68172713E+03 EK= 0.60749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357900807039E+03 -0.39656E+00 -0.17530E-01 7980 0.259E+01 0.266E-01 RMM: 2 -0.357914143548E+03 -0.13337E-01 -0.83518E-02 5318 0.688E-01 0.107E+00 RMM: 3 -0.357906773234E+03 0.73703E-02 -0.86242E-03 5506 0.201E-01 0.221E-01 RMM: 4 -0.357906686958E+03 0.86276E-04 -0.10309E-03 4627 0.718E-02 0.213E-01 RMM: 5 -0.357906440104E+03 0.24685E-03 -0.21477E-04 3884 0.360E-02 0.121E-01 RMM: 6 -0.357906349756E+03 0.90348E-04 -0.65996E-05 3423 0.238E-02 0.386E-02 RMM: 7 -0.357906354709E+03 -0.49531E-05 -0.23992E-05 2565 0.140E-02 2946 T= 7397. E= 0.71202537E+03 F= 0.65083328E+03 E0= 0.68143829E+03 EK= 0.61192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358041327420E+03 -0.13498E+00 -0.17445E-01 7848 0.255E+01 0.206E-01 RMM: 2 -0.358053319552E+03 -0.11992E-01 -0.80815E-02 5339 0.635E-01 0.914E-01 RMM: 3 -0.358047425372E+03 0.58942E-02 -0.65158E-03 5574 0.168E-01 0.197E-01 RMM: 4 -0.358047265710E+03 0.15966E-03 -0.69818E-04 4618 0.598E-02 0.147E-01 RMM: 5 -0.358047130994E+03 0.13472E-03 -0.13259E-04 3876 0.272E-02 0.920E-02 RMM: 6 -0.358047086677E+03 0.44317E-04 -0.46875E-05 3185 0.201E-02 0.496E-02 RMM: 7 -0.358047117372E+03 -0.30695E-04 -0.57166E-05 3381 0.195E-02 0.928E-02 RMM: 8 -0.358047066895E+03 0.50477E-04 -0.47353E-05 3078 0.189E-02 0.350E-02 RMM: 9 -0.358047061574E+03 0.53214E-05 -0.14298E-05 2464 0.107E-02 2947 T= 7057. E= 0.70916633E+03 F= 0.65078708E+03 E0= 0.68140496E+03 EK= 0.58379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358019561017E+03 0.27506E-01 -0.16899E-01 7824 0.245E+01 0.231E-01 RMM: 2 -0.358033968374E+03 -0.14407E-01 -0.87212E-02 5275 0.680E-01 0.106E+00 RMM: 3 -0.358026282670E+03 0.76857E-02 -0.83855E-03 5559 0.194E-01 0.222E-01 RMM: 4 -0.358025990401E+03 0.29227E-03 -0.83818E-04 4632 0.639E-02 0.139E-01 RMM: 5 -0.358025897477E+03 0.92924E-04 -0.17297E-04 3881 0.335E-02 0.111E-01 RMM: 6 -0.358025823500E+03 0.73976E-04 -0.73215E-05 3531 0.249E-02 0.485E-02 RMM: 7 -0.358025859841E+03 -0.36341E-04 -0.50478E-05 3201 0.196E-02 0.959E-02 RMM: 8 -0.358025805359E+03 0.54482E-04 -0.35849E-05 2724 0.180E-02 0.363E-02 RMM: 9 -0.358025800005E+03 0.53543E-05 -0.13509E-05 2461 0.101E-02 2948 T= 6501. E= 0.70468633E+03 F= 0.65090360E+03 E0= 0.68152904E+03 EK= 0.53783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357977624876E+03 0.48180E-01 -0.15709E-01 7884 0.234E+01 0.180E-01 RMM: 2 -0.357988754167E+03 -0.11129E-01 -0.77961E-02 5348 0.645E-01 0.850E-01 RMM: 3 -0.357983880531E+03 0.48736E-02 -0.66753E-03 5696 0.163E-01 0.166E-01 RMM: 4 -0.357983682721E+03 0.19781E-03 -0.52835E-04 4619 0.524E-02 0.120E-01 RMM: 5 -0.357983586247E+03 0.96473E-04 -0.11375E-04 3865 0.288E-02 0.771E-02 RMM: 6 -0.357983581293E+03 0.49548E-05 -0.46136E-05 3146 0.194E-02 2949 T= 5971. E= 0.70043531E+03 F= 0.65104245E+03 E0= 0.68167186E+03 EK= 0.49393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358035618227E+03 -0.52032E-01 -0.14215E-01 7968 0.224E+01 0.307E-01 RMM: 2 -0.358059626046E+03 -0.24008E-01 -0.75112E-02 5329 0.648E-01 0.171E+00 RMM: 3 -0.358040894209E+03 0.18732E-01 -0.11043E-02 5345 0.252E-01 0.275E-01 RMM: 4 -0.358040412309E+03 0.48190E-03 -0.11474E-03 4686 0.665E-02 0.109E-01 RMM: 5 -0.358040369903E+03 0.42406E-04 -0.18313E-04 3884 0.375E-02 0.115E-01 RMM: 6 -0.358040307338E+03 0.62565E-04 -0.90455E-05 3840 0.260E-02 0.777E-02 RMM: 7 -0.358040385035E+03 -0.77698E-04 -0.12155E-04 3884 0.295E-02 0.133E-01 RMM: 8 -0.358040285290E+03 0.99746E-04 -0.66856E-05 3473 0.235E-02 0.518E-02 RMM: 9 -0.358040274960E+03 0.10330E-04 -0.20921E-05 2577 0.134E-02 2950 T= 5637. E= 0.69771902E+03 F= 0.65108296E+03 E0= 0.68171231E+03 EK= 0.46636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358254848670E+03 -0.21456E+00 -0.13502E-01 7620 0.219E+01 0.267E-01 RMM: 2 -0.358271401760E+03 -0.16553E-01 -0.65450E-02 5232 0.606E-01 0.134E+00 RMM: 3 -0.358259800397E+03 0.11601E-01 -0.84466E-03 5379 0.214E-01 0.310E-01 RMM: 4 -0.358259191655E+03 0.60874E-03 -0.12577E-03 4617 0.778E-02 0.137E-01 RMM: 5 -0.358259156070E+03 0.35585E-04 -0.22746E-04 3889 0.404E-02 0.131E-01 RMM: 6 -0.358259040549E+03 0.11552E-03 -0.70740E-05 3505 0.248E-02 0.373E-02 RMM: 7 -0.358259059117E+03 -0.18568E-04 -0.32076E-05 2813 0.164E-02 2951 T= 5580. E= 0.69712425E+03 F= 0.65096003E+03 E0= 0.68158901E+03 EK= 0.46164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358632814840E+03 -0.37377E+00 -0.13283E-01 8040 0.220E+01 0.254E-01 RMM: 2 -0.358648224041E+03 -0.15409E-01 -0.61168E-02 5212 0.589E-01 0.129E+00 RMM: 3 -0.358637184872E+03 0.11039E-01 -0.76519E-03 5393 0.200E-01 0.239E-01 RMM: 4 -0.358636860201E+03 0.32467E-03 -0.93110E-04 4619 0.644E-02 0.121E-01 RMM: 5 -0.358636853014E+03 0.71875E-05 -0.17929E-04 3881 0.329E-02 2952 T= 5809. E= 0.69872734E+03 F= 0.65067452E+03 E0= 0.68130263E+03 EK= 0.48053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359101621411E+03 -0.46476E+00 -0.13973E-01 8256 0.225E+01 0.232E-01 RMM: 2 -0.359113531294E+03 -0.11910E-01 -0.69224E-02 5137 0.625E-01 0.990E-01 RMM: 3 -0.359107091402E+03 0.64399E-02 -0.75516E-03 5422 0.184E-01 0.219E-01 RMM: 4 -0.359106882958E+03 0.20844E-03 -0.87652E-04 4615 0.655E-02 0.154E-01 RMM: 5 -0.359106782760E+03 0.10020E-03 -0.18524E-04 3887 0.326E-02 0.131E-01 RMM: 6 -0.359106686803E+03 0.95957E-04 -0.78590E-05 3546 0.246E-02 0.588E-02 RMM: 7 -0.359106753467E+03 -0.66664E-04 -0.10305E-04 3877 0.264E-02 0.122E-01 RMM: 8 -0.359106665002E+03 0.88464E-04 -0.65657E-05 3577 0.220E-02 0.361E-02 RMM: 9 -0.359106661538E+03 0.34643E-05 -0.14582E-05 2499 0.115E-02 2953 T= 6269. E= 0.70215189E+03 F= 0.65029176E+03 E0= 0.68091903E+03 EK= 0.51860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359542455677E+03 -0.43579E+00 -0.15629E-01 7992 0.234E+01 0.293E-01 RMM: 2 -0.359559649839E+03 -0.17194E-01 -0.95341E-02 5064 0.752E-01 0.127E+00 RMM: 3 -0.359549323738E+03 0.10326E-01 -0.10582E-02 5402 0.225E-01 0.239E-01 RMM: 4 -0.359549292501E+03 0.31237E-04 -0.14014E-03 4671 0.837E-02 0.251E-01 RMM: 5 -0.359548925236E+03 0.36726E-03 -0.31282E-04 3988 0.443E-02 0.117E-01 RMM: 6 -0.359548844433E+03 0.80803E-04 -0.70629E-05 3483 0.237E-02 0.365E-02 RMM: 7 -0.359548848763E+03 -0.43298E-05 -0.23565E-05 2532 0.140E-02 2954 T= 6826. E= 0.70639907E+03 F= 0.64993080E+03 E0= 0.68055731E+03 EK= 0.56468E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359817645017E+03 -0.26880E+00 -0.17002E-01 8160 0.243E+01 0.251E-01 RMM: 2 -0.359831187654E+03 -0.13543E-01 -0.93185E-02 5303 0.739E-01 0.100E+00 RMM: 3 -0.359824842475E+03 0.63452E-02 -0.92525E-03 5565 0.201E-01 0.216E-01 RMM: 4 -0.359824676569E+03 0.16591E-03 -0.99351E-04 4630 0.705E-02 0.202E-01 RMM: 5 -0.359824396347E+03 0.28022E-03 -0.23864E-04 3900 0.397E-02 0.867E-02 RMM: 6 -0.359824358548E+03 0.37799E-04 -0.47070E-05 3174 0.194E-02 0.548E-02 RMM: 7 -0.359824355632E+03 0.29162E-05 -0.55619E-05 3371 0.199E-02 2955 T= 7263. E= 0.70981561E+03 F= 0.64973133E+03 E0= 0.68035719E+03 EK= 0.60084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359818000820E+03 0.63577E-02 -0.18167E-01 8292 0.247E+01 0.262E-01 RMM: 2 -0.359832906283E+03 -0.14905E-01 -0.10577E-01 5123 0.778E-01 0.101E+00 RMM: 3 -0.359826331489E+03 0.65748E-02 -0.11379E-02 5649 0.215E-01 0.223E-01 RMM: 4 -0.359826209309E+03 0.12218E-03 -0.11421E-03 4674 0.772E-02 0.232E-01 RMM: 5 -0.359825884176E+03 0.32513E-03 -0.26268E-04 3928 0.414E-02 0.111E-01 RMM: 6 -0.359825812923E+03 0.71253E-04 -0.64408E-05 3424 0.227E-02 0.438E-02 RMM: 7 -0.359825818427E+03 -0.55037E-05 -0.28046E-05 2590 0.150E-02 2956 T= 7369. E= 0.71076453E+03 F= 0.64980220E+03 E0= 0.68042740E+03 EK= 0.60962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359524700634E+03 0.30111E+00 -0.17546E-01 7980 0.246E+01 0.203E-01 RMM: 2 -0.359536936192E+03 -0.12236E-01 -0.89078E-02 5081 0.690E-01 0.879E-01 RMM: 3 -0.359531734849E+03 0.52013E-02 -0.90252E-03 5706 0.194E-01 0.176E-01 RMM: 4 -0.359531595494E+03 0.13935E-03 -0.68720E-04 4635 0.583E-02 0.154E-01 RMM: 5 -0.359531443028E+03 0.15247E-03 -0.13661E-04 3847 0.300E-02 0.801E-02 RMM: 6 -0.359531409847E+03 0.33181E-04 -0.35316E-05 2927 0.178E-02 0.480E-02 RMM: 7 -0.359531420461E+03 -0.10614E-04 -0.35562E-05 2705 0.164E-02 2957 T= 7087. E= 0.70879856E+03 F= 0.65016698E+03 E0= 0.68079249E+03 EK= 0.58632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359015512017E+03 0.51590E+00 -0.16715E-01 7548 0.239E+01 0.169E-01 RMM: 2 -0.359026857879E+03 -0.11346E-01 -0.82611E-02 4974 0.643E-01 0.805E-01 RMM: 3 -0.359022038378E+03 0.48195E-02 -0.79823E-03 5523 0.193E-01 0.166E-01 RMM: 4 -0.359021914825E+03 0.12355E-03 -0.60017E-04 4643 0.536E-02 0.116E-01 RMM: 5 -0.359021850218E+03 0.64607E-04 -0.10059E-04 3743 0.275E-02 0.853E-02 RMM: 6 -0.359021811962E+03 0.38256E-04 -0.38426E-05 3011 0.185E-02 0.431E-02 RMM: 7 -0.359021835982E+03 -0.24020E-04 -0.33815E-05 2761 0.167E-02 0.800E-02 RMM: 8 -0.359021800669E+03 0.35312E-04 -0.34238E-05 2673 0.170E-02 0.337E-02 RMM: 9 -0.359021795247E+03 0.54226E-05 -0.11876E-05 2448 0.976E-03 2958 T= 6563. E= 0.70504382E+03 F= 0.65074636E+03 E0= 0.68137395E+03 EK= 0.54297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358438179798E+03 0.58362E+00 -0.15893E-01 7656 0.230E+01 0.195E-01 RMM: 2 -0.358450941621E+03 -0.12762E-01 -0.87166E-02 5001 0.686E-01 0.911E-01 RMM: 3 -0.358445163146E+03 0.57785E-02 -0.87498E-03 5567 0.201E-01 0.195E-01 RMM: 4 -0.358444917518E+03 0.24563E-03 -0.68124E-04 4663 0.577E-02 0.110E-01 RMM: 5 -0.358444849025E+03 0.68493E-04 -0.12445E-04 3856 0.304E-02 0.867E-02 RMM: 6 -0.358444808128E+03 0.40897E-04 -0.45067E-05 3098 0.200E-02 0.499E-02 RMM: 7 -0.358444827980E+03 -0.19852E-04 -0.41048E-05 2916 0.180E-02 2959 T= 6030. E= 0.70127797E+03 F= 0.65139295E+03 E0= 0.68202549E+03 EK= 0.49885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357947354023E+03 0.49745E+00 -0.14828E-01 7764 0.222E+01 0.233E-01 RMM: 2 -0.357963019191E+03 -0.15665E-01 -0.85995E-02 5150 0.695E-01 0.114E+00 RMM: 3 -0.357954299887E+03 0.87193E-02 -0.95467E-03 5419 0.215E-01 0.242E-01 RMM: 4 -0.357953914302E+03 0.38558E-03 -0.87182E-04 4689 0.610E-02 0.101E-01 RMM: 5 -0.357953862666E+03 0.51636E-04 -0.13161E-04 3862 0.309E-02 0.920E-02 RMM: 6 -0.357953825481E+03 0.37185E-04 -0.48299E-05 3141 0.200E-02 0.658E-02 RMM: 7 -0.357953876113E+03 -0.50632E-04 -0.82329E-05 3759 0.229E-02 0.118E-01 RMM: 8 -0.357953793531E+03 0.82582E-04 -0.55060E-05 3334 0.206E-02 0.432E-02 RMM: 9 -0.357953789170E+03 0.43616E-05 -0.21497E-05 2529 0.131E-02 2960 T= 5672. E= 0.69887736E+03 F= 0.65195292E+03 E0= 0.68259398E+03 EK= 0.46924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357664294468E+03 0.28950E+00 -0.14275E-01 7740 0.219E+01 0.215E-01 RMM: 2 -0.357677660718E+03 -0.13366E-01 -0.80665E-02 5119 0.666E-01 0.103E+00 RMM: 3 -0.357670701311E+03 0.69594E-02 -0.82679E-03 5498 0.193E-01 0.208E-01 RMM: 4 -0.357670469799E+03 0.23151E-03 -0.84748E-04 4626 0.645E-02 0.138E-01 RMM: 5 -0.357670389325E+03 0.80474E-04 -0.17039E-04 3862 0.336E-02 0.106E-01 RMM: 6 -0.357670321238E+03 0.68087E-04 -0.59987E-05 3357 0.230E-02 0.354E-02 RMM: 7 -0.357670333179E+03 -0.11941E-04 -0.21863E-05 2552 0.135E-02 2961 T= 5586. E= 0.69851813E+03 F= 0.65230330E+03 E0= 0.68295764E+03 EK= 0.46215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357658565911E+03 0.11755E-01 -0.14358E-01 7644 0.222E+01 0.209E-01 RMM: 2 -0.357669837234E+03 -0.11271E-01 -0.65399E-02 5237 0.606E-01 0.962E-01 RMM: 3 -0.357663729394E+03 0.61078E-02 -0.68051E-03 5410 0.179E-01 0.215E-01 RMM: 4 -0.357663447872E+03 0.28152E-03 -0.67715E-04 4628 0.549E-02 0.958E-02 RMM: 5 -0.357663411022E+03 0.36850E-04 -0.11148E-04 3888 0.255E-02 0.955E-02 RMM: 6 -0.357663361859E+03 0.49163E-04 -0.37945E-05 3020 0.180E-02 0.495E-02 RMM: 7 -0.357663404756E+03 -0.42897E-04 -0.67047E-05 3502 0.210E-02 0.101E-01 RMM: 8 -0.357663342319E+03 0.62437E-04 -0.47173E-05 3144 0.195E-02 0.340E-02 RMM: 9 -0.357663337452E+03 0.48664E-05 -0.12880E-05 2464 0.102E-02 2962 T= 5798. E= 0.70034202E+03 F= 0.65237371E+03 E0= 0.68304524E+03 EK= 0.47968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357934117943E+03 -0.27078E+00 -0.15553E-01 7896 0.230E+01 0.224E-01 RMM: 2 -0.357947048130E+03 -0.12930E-01 -0.73184E-02 5042 0.653E-01 0.106E+00 RMM: 3 -0.357939765342E+03 0.72828E-02 -0.78969E-03 5411 0.191E-01 0.190E-01 RMM: 4 -0.357939598019E+03 0.16732E-03 -0.83524E-04 4616 0.642E-02 0.141E-01 RMM: 5 -0.357939539177E+03 0.58842E-04 -0.15916E-04 3861 0.309E-02 0.117E-01 RMM: 6 -0.357939453091E+03 0.86086E-04 -0.58351E-05 3347 0.228E-02 0.314E-02 RMM: 7 -0.357939451078E+03 0.20133E-05 -0.13246E-05 2483 0.106E-02 2963 T= 6269. E= 0.70402119E+03 F= 0.65215639E+03 E0= 0.68284925E+03 EK= 0.51865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358430073219E+03 -0.49062E+00 -0.16937E-01 8088 0.241E+01 0.223E-01 RMM: 2 -0.358441010547E+03 -0.10937E-01 -0.73417E-02 5259 0.663E-01 0.907E-01 RMM: 3 -0.358435801606E+03 0.52089E-02 -0.73350E-03 5389 0.185E-01 0.202E-01 RMM: 4 -0.358435648815E+03 0.15279E-03 -0.75228E-04 4614 0.598E-02 0.155E-01 RMM: 5 -0.358435489111E+03 0.15970E-03 -0.14735E-04 3878 0.310E-02 0.782E-02 RMM: 6 -0.358435456448E+03 0.32663E-04 -0.33060E-05 2872 0.172E-02 0.425E-02 RMM: 7 -0.358435460575E+03 -0.41272E-05 -0.30718E-05 2590 0.158E-02 2964 T= 6871. E= 0.70855578E+03 F= 0.65171429E+03 E0= 0.68243053E+03 EK= 0.56841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359017541467E+03 -0.58209E+00 -0.18675E-01 8256 0.252E+01 0.250E-01 RMM: 2 -0.359031723849E+03 -0.14182E-01 -0.93835E-02 5165 0.763E-01 0.104E+00 RMM: 3 -0.359024888526E+03 0.68353E-02 -0.95103E-03 5455 0.207E-01 0.217E-01 RMM: 4 -0.359024721081E+03 0.16745E-03 -0.10347E-03 4651 0.750E-02 0.193E-01 RMM: 5 -0.359024524401E+03 0.19668E-03 -0.22889E-04 3889 0.388E-02 0.116E-01 RMM: 6 -0.359024444143E+03 0.80258E-04 -0.65372E-05 3441 0.235E-02 0.400E-02 RMM: 7 -0.359024442897E+03 0.12465E-05 -0.19449E-05 2514 0.131E-02 2965 T= 7372. E= 0.71215833E+03 F= 0.65117490E+03 E0= 0.68191432E+03 EK= 0.60983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359547571551E+03 -0.52313E+00 -0.19333E-01 8292 0.257E+01 0.254E-01 RMM: 2 -0.359563018452E+03 -0.15447E-01 -0.93383E-02 5263 0.754E-01 0.112E+00 RMM: 3 -0.359554857890E+03 0.81606E-02 -0.93589E-03 5427 0.214E-01 0.231E-01 RMM: 4 -0.359554611820E+03 0.24607E-03 -0.96946E-04 4628 0.689E-02 0.164E-01 RMM: 5 -0.359554430385E+03 0.18143E-03 -0.18442E-04 3888 0.356E-02 0.937E-02 RMM: 6 -0.359554383169E+03 0.47216E-04 -0.44512E-05 3080 0.198E-02 0.497E-02 RMM: 7 -0.359554382707E+03 0.46271E-06 -0.30413E-05 2581 0.158E-02 2966 T= 7522. E= 0.71292164E+03 F= 0.65069138E+03 E0= 0.68145107E+03 EK= 0.62230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359905858324E+03 -0.35148E+00 -0.19884E-01 7932 0.256E+01 0.232E-01 RMM: 2 -0.359920040153E+03 -0.14182E-01 -0.92726E-02 5138 0.737E-01 0.103E+00 RMM: 3 -0.359913295173E+03 0.67450E-02 -0.98256E-03 5562 0.207E-01 0.213E-01 RMM: 4 -0.359913057317E+03 0.23786E-03 -0.87479E-04 4651 0.672E-02 0.153E-01 RMM: 5 -0.359912935516E+03 0.12180E-03 -0.16617E-04 3883 0.327E-02 0.995E-02 RMM: 6 -0.359912879145E+03 0.56371E-04 -0.44204E-05 3100 0.202E-02 0.425E-02 RMM: 7 -0.359912881554E+03 -0.24096E-05 -0.20510E-05 2518 0.133E-02 2967 T= 7233. E= 0.71021757E+03 F= 0.65037739E+03 E0= 0.68115109E+03 EK= 0.59840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360068702494E+03 -0.15582E+00 -0.18879E-01 7728 0.248E+01 0.210E-01 RMM: 2 -0.360083242856E+03 -0.14540E-01 -0.87623E-02 5055 0.697E-01 0.105E+00 RMM: 3 -0.360075852210E+03 0.73906E-02 -0.92130E-03 5484 0.204E-01 0.209E-01 RMM: 4 -0.360075599102E+03 0.25311E-03 -0.77241E-04 4665 0.608E-02 0.113E-01 RMM: 5 -0.360075534308E+03 0.64794E-04 -0.11586E-04 3834 0.267E-02 0.884E-02 RMM: 6 -0.360075490876E+03 0.43432E-04 -0.31805E-05 2835 0.171E-02 0.416E-02 RMM: 7 -0.360075504745E+03 -0.13869E-04 -0.27397E-05 2581 0.152E-02 2968 T= 6653. E= 0.70529381E+03 F= 0.65025830E+03 E0= 0.68103982E+03 EK= 0.55036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360086944696E+03 -0.11454E-01 -0.16867E-01 7812 0.236E+01 0.206E-01 RMM: 2 -0.360099736435E+03 -0.12792E-01 -0.77915E-02 5017 0.661E-01 0.102E+00 RMM: 3 -0.360093075230E+03 0.66612E-02 -0.85720E-03 5503 0.202E-01 0.179E-01 RMM: 4 -0.360092906830E+03 0.16840E-03 -0.66357E-04 4686 0.550E-02 0.108E-01 RMM: 5 -0.360092862351E+03 0.44479E-04 -0.11204E-04 3851 0.286E-02 0.898E-02 RMM: 6 -0.360092813697E+03 0.48654E-04 -0.40385E-05 3042 0.189E-02 0.393E-02 RMM: 7 -0.360092824563E+03 -0.10866E-04 -0.24678E-05 2553 0.151E-02 2969 T= 6039. E= 0.70023849E+03 F= 0.65028376E+03 E0= 0.68106623E+03 EK= 0.49955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360041910599E+03 0.50903E-01 -0.15450E-01 7884 0.226E+01 0.197E-01 RMM: 2 -0.360055323389E+03 -0.13413E-01 -0.77155E-02 5073 0.646E-01 0.105E+00 RMM: 3 -0.360048098946E+03 0.72244E-02 -0.80026E-03 5514 0.192E-01 0.198E-01 RMM: 4 -0.360047840353E+03 0.25859E-03 -0.65695E-04 4669 0.547E-02 0.906E-02 RMM: 5 -0.360047798444E+03 0.41910E-04 -0.10298E-04 3813 0.270E-02 0.824E-02 RMM: 6 -0.360047761889E+03 0.36555E-04 -0.32924E-05 2848 0.172E-02 0.479E-02 RMM: 7 -0.360047782112E+03 -0.20223E-04 -0.36405E-05 2846 0.175E-02 0.828E-02 RMM: 8 -0.360047744876E+03 0.37236E-04 -0.44116E-05 2942 0.181E-02 0.385E-02 RMM: 9 -0.360047738690E+03 0.61865E-05 -0.15994E-05 2463 0.114E-02 2970 T= 5597. E= 0.69667341E+03 F= 0.65037035E+03 E0= 0.68114968E+03 EK= 0.46303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360007867572E+03 0.39877E-01 -0.14549E-01 7908 0.219E+01 0.162E-01 RMM: 2 -0.360017252759E+03 -0.93852E-02 -0.65945E-02 5200 0.578E-01 0.769E-01 RMM: 3 -0.360012991879E+03 0.42609E-02 -0.56306E-03 5572 0.156E-01 0.138E-01 RMM: 4 -0.360012959512E+03 0.32366E-04 -0.47373E-04 4508 0.486E-02 0.136E-01 RMM: 5 -0.360012843450E+03 0.11606E-03 -0.92422E-05 3704 0.259E-02 0.671E-02 RMM: 6 -0.360012817732E+03 0.25718E-04 -0.26505E-05 2706 0.157E-02 0.354E-02 RMM: 7 -0.360012823362E+03 -0.56296E-05 -0.18782E-05 2500 0.128E-02 2971 T= 5433. E= 0.69539202E+03 F= 0.65044444E+03 E0= 0.68121741E+03 EK= 0.44948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360025305282E+03 -0.12488E-01 -0.14384E-01 8340 0.219E+01 0.168E-01 RMM: 2 -0.360034495834E+03 -0.91906E-02 -0.61660E-02 5272 0.564E-01 0.806E-01 RMM: 3 -0.360030045467E+03 0.44504E-02 -0.55916E-03 5687 0.154E-01 0.151E-01 RMM: 4 -0.360029885815E+03 0.15965E-03 -0.42288E-04 4401 0.445E-02 0.808E-02 RMM: 5 -0.360029839808E+03 0.46007E-04 -0.55562E-05 3298 0.198E-02 0.646E-02 RMM: 6 -0.360029823875E+03 0.15933E-04 -0.24249E-05 2540 0.148E-02 2972 T= 5578. E= 0.69661054E+03 F= 0.65046313E+03 E0= 0.68122901E+03 EK= 0.46147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360097584258E+03 -0.67744E-01 -0.15335E-01 8448 0.224E+01 0.256E-01 RMM: 2 -0.360115280828E+03 -0.17697E-01 -0.67977E-02 5269 0.590E-01 0.140E+00 RMM: 3 -0.360102568341E+03 0.12712E-01 -0.88987E-03 5372 0.219E-01 0.240E-01 RMM: 4 -0.360102214058E+03 0.35428E-03 -0.87897E-04 4686 0.583E-02 0.919E-02 RMM: 5 -0.360102186261E+03 0.27797E-04 -0.11052E-04 3845 0.266E-02 0.919E-02 RMM: 6 -0.360102135381E+03 0.50880E-04 -0.30449E-05 2874 0.166E-02 0.417E-02 RMM: 7 -0.360102141941E+03 -0.65604E-05 -0.23364E-05 2541 0.142E-02 2973 T= 6010. E= 0.70014339E+03 F= 0.65042228E+03 E0= 0.68118045E+03 EK= 0.49721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360192553466E+03 -0.90418E-01 -0.16415E-01 8496 0.233E+01 0.308E-01 RMM: 2 -0.360215245825E+03 -0.22692E-01 -0.82722E-02 5276 0.673E-01 0.163E+00 RMM: 3 -0.360198625723E+03 0.16620E-01 -0.11055E-02 5376 0.249E-01 0.381E-01 RMM: 4 -0.360197676138E+03 0.94959E-03 -0.14476E-03 4654 0.819E-02 0.103E-01 RMM: 5 -0.360197723646E+03 -0.47509E-04 -0.23704E-04 3889 0.391E-02 0.144E-01 RMM: 6 -0.360197587047E+03 0.13660E-03 -0.72111E-05 3499 0.246E-02 0.339E-02 RMM: 7 -0.360197584179E+03 0.28678E-05 -0.15455E-05 2511 0.117E-02 2974 T= 6634. E= 0.70523597E+03 F= 0.65035396E+03 E0= 0.68110600E+03 EK= 0.54882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360251734503E+03 -0.54147E-01 -0.17849E-01 8784 0.244E+01 0.246E-01 RMM: 2 -0.360270561792E+03 -0.18827E-01 -0.10274E-01 5202 0.729E-01 0.127E+00 RMM: 3 -0.360259928670E+03 0.10633E-01 -0.10925E-02 5475 0.227E-01 0.213E-01 RMM: 4 -0.360259665207E+03 0.26346E-03 -0.98364E-04 4764 0.638E-02 0.132E-01 RMM: 5 -0.360259550657E+03 0.11455E-03 -0.14925E-04 3873 0.312E-02 0.928E-02 RMM: 6 -0.360259496397E+03 0.54259E-04 -0.41109E-05 3030 0.189E-02 0.469E-02 RMM: 7 -0.360259495712E+03 0.68500E-06 -0.31249E-05 2607 0.159E-02 2975 T= 7248. E= 0.71027165E+03 F= 0.65031526E+03 E0= 0.68106150E+03 EK= 0.59956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360223467474E+03 0.36029E-01 -0.19647E-01 8088 0.252E+01 0.248E-01 RMM: 2 -0.360244274567E+03 -0.20807E-01 -0.13234E-01 5071 0.829E-01 0.123E+00 RMM: 3 -0.360234279247E+03 0.99953E-02 -0.13666E-02 5615 0.241E-01 0.276E-01 RMM: 4 -0.360233706396E+03 0.57285E-03 -0.11089E-03 4765 0.711E-02 0.104E-01 RMM: 5 -0.360233683891E+03 0.22505E-04 -0.18695E-04 3882 0.341E-02 0.111E-01 RMM: 6 -0.360233611390E+03 0.72501E-04 -0.51891E-05 3224 0.209E-02 0.449E-02 RMM: 7 -0.360233611971E+03 -0.58117E-06 -0.19905E-05 2516 0.134E-02 2976 T= 7579. E= 0.71306238E+03 F= 0.65036117E+03 E0= 0.68110482E+03 EK= 0.62701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360101885792E+03 0.13173E+00 -0.19837E-01 8280 0.253E+01 0.225E-01 RMM: 2 -0.360120028317E+03 -0.18143E-01 -0.12663E-01 5178 0.786E-01 0.107E+00 RMM: 3 -0.360111973333E+03 0.80550E-02 -0.11818E-02 5688 0.223E-01 0.179E-01 RMM: 4 -0.360111769845E+03 0.20349E-03 -0.87304E-04 4789 0.613E-02 0.136E-01 RMM: 5 -0.360111668884E+03 0.10096E-03 -0.12790E-04 3851 0.278E-02 0.993E-02 RMM: 6 -0.360111611937E+03 0.56947E-04 -0.39749E-05 3037 0.185E-02 0.463E-02 RMM: 7 -0.360111609560E+03 0.23772E-05 -0.38810E-05 2758 0.177E-02 2977 T= 7456. E= 0.71217884E+03 F= 0.65050074E+03 E0= 0.68124557E+03 EK= 0.61678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359950289481E+03 0.16132E+00 -0.19124E-01 8112 0.247E+01 0.236E-01 RMM: 2 -0.359970965135E+03 -0.20676E-01 -0.12857E-01 5115 0.802E-01 0.122E+00 RMM: 3 -0.359960719788E+03 0.10245E-01 -0.12310E-02 5660 0.229E-01 0.261E-01 RMM: 4 -0.359960215323E+03 0.50447E-03 -0.10021E-03 4716 0.686E-02 0.101E-01 RMM: 5 -0.359960199174E+03 0.16148E-04 -0.15502E-04 3882 0.306E-02 2978 T= 6950. E= 0.70816461E+03 F= 0.65066771E+03 E0= 0.68141844E+03 EK= 0.57497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359889205884E+03 0.71009E-01 -0.17864E-01 8472 0.236E+01 0.175E-01 RMM: 2 -0.359904423353E+03 -0.15217E-01 -0.12102E-01 5292 0.757E-01 0.817E-01 RMM: 3 -0.359899335286E+03 0.50881E-02 -0.93583E-03 5715 0.190E-01 0.184E-01 RMM: 4 -0.359899084080E+03 0.25121E-03 -0.58479E-04 4737 0.513E-02 0.109E-01 RMM: 5 -0.359899005410E+03 0.78670E-04 -0.88854E-05 3722 0.239E-02 0.978E-02 RMM: 6 -0.359898982217E+03 0.23193E-04 -0.58102E-05 3335 0.209E-02 0.922E-02 RMM: 7 -0.359899023543E+03 -0.41326E-04 -0.18335E-04 3896 0.326E-02 0.142E-01 RMM: 8 -0.359898898527E+03 0.12502E-03 -0.11340E-04 3881 0.264E-02 0.304E-02 RMM: 9 -0.359898911585E+03 -0.13058E-04 -0.24071E-05 2621 0.141E-02 2979 T= 6319. E= 0.70301621E+03 F= 0.65074261E+03 E0= 0.68150458E+03 EK= 0.52274E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360040450658E+03 -0.14155E+00 -0.16677E-01 8112 0.226E+01 0.268E-01 RMM: 2 -0.360056283744E+03 -0.15833E-01 -0.11824E-01 5048 0.789E-01 0.983E-01 RMM: 3 -0.360049706304E+03 0.65774E-02 -0.11766E-02 5678 0.219E-01 0.233E-01 RMM: 4 -0.360049697491E+03 0.88135E-05 -0.11801E-03 4733 0.799E-02 0.271E-01 RMM: 5 -0.360049300954E+03 0.39654E-03 -0.32719E-04 4151 0.471E-02 0.128E-01 RMM: 6 -0.360049203754E+03 0.97200E-04 -0.92232E-05 3651 0.271E-02 0.405E-02 RMM: 7 -0.360049224233E+03 -0.20479E-04 -0.27798E-05 2715 0.155E-02 0.717E-02 RMM: 8 -0.360049196436E+03 0.27797E-04 -0.19072E-05 2530 0.146E-02 0.224E-02 RMM: 9 -0.360049196750E+03 -0.31388E-06 -0.67419E-06 2439 0.752E-03 2980 T= 5810. E= 0.69866716E+03 F= 0.65060360E+03 E0= 0.68138286E+03 EK= 0.48064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360484506153E+03 -0.43531E+00 -0.15627E-01 8244 0.219E+01 0.191E-01 RMM: 2 -0.360498935534E+03 -0.14429E-01 -0.93598E-02 5224 0.687E-01 0.990E-01 RMM: 3 -0.360492037717E+03 0.68978E-02 -0.81411E-03 5616 0.185E-01 0.176E-01 RMM: 4 -0.360491806940E+03 0.23078E-03 -0.62983E-04 4696 0.545E-02 0.963E-02 RMM: 5 -0.360491749966E+03 0.56974E-04 -0.96694E-05 3771 0.253E-02 0.826E-02 RMM: 6 -0.360491716427E+03 0.33539E-04 -0.30667E-05 2776 0.165E-02 0.526E-02 RMM: 7 -0.360491725608E+03 -0.91803E-05 -0.42810E-05 3003 0.186E-02 2981 T= 5565. E= 0.69620692E+03 F= 0.65016945E+03 E0= 0.68097238E+03 EK= 0.46037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361245912729E+03 -0.75420E+00 -0.15084E-01 8256 0.218E+01 0.175E-01 RMM: 2 -0.361258256449E+03 -0.12344E-01 -0.86586E-02 5160 0.648E-01 0.858E-01 RMM: 3 -0.361252968922E+03 0.52875E-02 -0.77662E-03 5630 0.179E-01 0.176E-01 RMM: 4 -0.361252746066E+03 0.22286E-03 -0.59447E-04 4620 0.529E-02 0.941E-02 RMM: 5 -0.361252702045E+03 0.44021E-04 -0.83457E-05 3662 0.234E-02 0.745E-02 RMM: 6 -0.361252674870E+03 0.27175E-04 -0.23012E-05 2571 0.147E-02 0.446E-02 RMM: 7 -0.361252691718E+03 -0.16848E-04 -0.36466E-05 2916 0.170E-02 2982 T= 5630. E= 0.69599103E+03 F= 0.64941348E+03 E0= 0.68024577E+03 EK= 0.46578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362301286370E+03 -0.10486E+01 -0.15908E-01 8700 0.223E+01 0.208E-01 RMM: 2 -0.362316764779E+03 -0.15478E-01 -0.94107E-02 5241 0.676E-01 0.107E+00 RMM: 3 -0.362308769611E+03 0.79952E-02 -0.81487E-03 5465 0.191E-01 0.205E-01 RMM: 4 -0.362308529637E+03 0.23997E-03 -0.82112E-04 4684 0.623E-02 0.119E-01 RMM: 5 -0.362308469803E+03 0.59834E-04 -0.12991E-04 3867 0.276E-02 0.992E-02 RMM: 6 -0.362308413245E+03 0.56558E-04 -0.39511E-05 3055 0.190E-02 0.402E-02 RMM: 7 -0.362308417627E+03 -0.43816E-05 -0.18391E-05 2519 0.126E-02 2983 T= 5987. E= 0.69788897E+03 F= 0.64835917E+03 E0= 0.67922626E+03 EK= 0.49530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363586890763E+03 -0.12785E+01 -0.17678E-01 8892 0.232E+01 0.228E-01 RMM: 2 -0.363603362662E+03 -0.16472E-01 -0.10759E-01 5324 0.739E-01 0.107E+00 RMM: 3 -0.363595525168E+03 0.78375E-02 -0.96537E-03 5537 0.208E-01 0.234E-01 RMM: 4 -0.363595139205E+03 0.38596E-03 -0.88025E-04 4720 0.625E-02 0.112E-01 RMM: 5 -0.363595067991E+03 0.71214E-04 -0.13463E-04 3885 0.300E-02 0.914E-02 RMM: 6 -0.363595028319E+03 0.39672E-04 -0.32847E-05 2802 0.173E-02 0.599E-02 RMM: 7 -0.363595031627E+03 -0.33087E-05 -0.32546E-05 2694 0.162E-02 2984 T= 6547. E= 0.70123150E+03 F= 0.64707053E+03 E0= 0.67797862E+03 EK= 0.54161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365007201302E+03 -0.14122E+01 -0.19911E-01 8988 0.242E+01 0.231E-01 RMM: 2 -0.365026224402E+03 -0.19023E-01 -0.12166E-01 5364 0.771E-01 0.115E+00 RMM: 3 -0.365017234860E+03 0.89895E-02 -0.99035E-03 5479 0.211E-01 0.254E-01 RMM: 4 -0.365016838361E+03 0.39650E-03 -0.10532E-03 4690 0.697E-02 0.136E-01 RMM: 5 -0.365016733591E+03 0.10477E-03 -0.16682E-04 3885 0.327E-02 0.991E-02 RMM: 6 -0.365016682991E+03 0.50600E-04 -0.42243E-05 3062 0.194E-02 0.593E-02 RMM: 7 -0.365016687388E+03 -0.43970E-05 -0.34421E-05 2689 0.166E-02 2985 T= 7127. E= 0.70460009E+03 F= 0.64564371E+03 E0= 0.67659622E+03 EK= 0.58956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366458080392E+03 -0.14414E+01 -0.21909E-01 9012 0.250E+01 0.257E-01 RMM: 2 -0.366480403656E+03 -0.22323E-01 -0.14635E-01 5289 0.858E-01 0.125E+00 RMM: 3 -0.366469808851E+03 0.10595E-01 -0.12979E-02 5531 0.242E-01 0.252E-01 RMM: 4 -0.366469369750E+03 0.43910E-03 -0.11496E-03 4784 0.710E-02 0.135E-01 RMM: 5 -0.366469268191E+03 0.10156E-03 -0.18780E-04 3892 0.366E-02 0.105E-01 RMM: 6 -0.366469210889E+03 0.57302E-04 -0.53964E-05 3251 0.210E-02 0.671E-02 RMM: 7 -0.366469211295E+03 -0.40583E-06 -0.41788E-05 2894 0.186E-02 2986 T= 7478. E= 0.70604242E+03 F= 0.64418308E+03 E0= 0.67518318E+03 EK= 0.61859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367859613019E+03 -0.13904E+01 -0.23235E-01 8796 0.251E+01 0.228E-01 RMM: 2 -0.367881702859E+03 -0.22090E-01 -0.14347E-01 5214 0.828E-01 0.121E+00 RMM: 3 -0.367871340538E+03 0.10362E-01 -0.12118E-02 5452 0.239E-01 0.231E-01 RMM: 4 -0.367871027598E+03 0.31294E-03 -0.10523E-03 4766 0.680E-02 0.127E-01 RMM: 5 -0.367870941955E+03 0.85642E-04 -0.15578E-04 3907 0.328E-02 0.966E-02 RMM: 6 -0.367870894457E+03 0.47498E-04 -0.46271E-05 3108 0.198E-02 0.609E-02 RMM: 7 -0.367870915075E+03 -0.20618E-04 -0.48148E-05 3102 0.194E-02 0.958E-02 RMM: 8 -0.367870856918E+03 0.58157E-04 -0.67907E-05 3596 0.209E-02 0.422E-02 RMM: 9 -0.367870852974E+03 0.39433E-05 -0.24140E-05 2614 0.136E-02 2987 T= 7422. E= 0.70417310E+03 F= 0.64277027E+03 E0= 0.67381759E+03 EK= 0.61403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369182623202E+03 -0.13118E+01 -0.23370E-01 8748 0.246E+01 0.209E-01 RMM: 2 -0.369201564310E+03 -0.18941E-01 -0.13854E-01 5220 0.795E-01 0.100E+00 RMM: 3 -0.369193553431E+03 0.80109E-02 -0.10850E-02 5445 0.231E-01 0.181E-01 RMM: 4 -0.369193492730E+03 0.60701E-04 -0.95052E-04 4759 0.675E-02 0.176E-01 RMM: 5 -0.369193321547E+03 0.17118E-03 -0.17572E-04 3913 0.359E-02 0.950E-02 RMM: 6 -0.369193268220E+03 0.53327E-04 -0.53460E-05 3224 0.214E-02 0.445E-02 RMM: 7 -0.369193281549E+03 -0.13329E-04 -0.28310E-05 2611 0.159E-02 2988 T= 6996. E= 0.69930655E+03 F= 0.64143312E+03 E0= 0.67252375E+03 EK= 0.57873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370450974593E+03 -0.12577E+01 -0.22190E-01 8760 0.236E+01 0.207E-01 RMM: 2 -0.370467364911E+03 -0.16390E-01 -0.12393E-01 5229 0.782E-01 0.920E-01 RMM: 3 -0.370460945981E+03 0.64189E-02 -0.10731E-02 5574 0.226E-01 0.192E-01 RMM: 4 -0.370460763284E+03 0.18270E-03 -0.74273E-04 4796 0.584E-02 0.125E-01 RMM: 5 -0.370460675999E+03 0.87285E-04 -0.11107E-04 3784 0.284E-02 0.925E-02 RMM: 6 -0.370460634951E+03 0.41048E-04 -0.44111E-05 3085 0.191E-02 0.568E-02 RMM: 7 -0.370460653536E+03 -0.18585E-04 -0.10759E-04 3888 0.257E-02 2989 T= 6412. E= 0.69319001E+03 F= 0.64014662E+03 E0= 0.67127444E+03 EK= 0.53043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371712192242E+03 -0.12516E+01 -0.19888E-01 8760 0.227E+01 0.182E-01 RMM: 2 -0.371726059208E+03 -0.13867E-01 -0.11068E-01 5162 0.734E-01 0.776E-01 RMM: 3 -0.371721073119E+03 0.49861E-02 -0.92505E-03 5492 0.209E-01 0.168E-01 RMM: 4 -0.371721033144E+03 0.39975E-04 -0.75970E-04 4719 0.628E-02 0.166E-01 RMM: 5 -0.371720870950E+03 0.16219E-03 -0.14466E-04 3884 0.325E-02 0.884E-02 RMM: 6 -0.371720824449E+03 0.46501E-04 -0.37128E-05 2963 0.185E-02 0.385E-02 RMM: 7 -0.371720829187E+03 -0.47380E-05 -0.21941E-05 2526 0.142E-02 2990 T= 5903. E= 0.68769273E+03 F= 0.63886196E+03 E0= 0.67002050E+03 EK= 0.48831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373004767129E+03 -0.12839E+01 -0.17353E-01 8532 0.219E+01 0.211E-01 RMM: 2 -0.373018716518E+03 -0.13949E-01 -0.94139E-02 5026 0.702E-01 0.953E-01 RMM: 3 -0.373012312083E+03 0.64044E-02 -0.95377E-03 5617 0.208E-01 0.183E-01 RMM: 4 -0.373012082158E+03 0.22993E-03 -0.68499E-04 4734 0.571E-02 0.113E-01 RMM: 5 -0.373012018969E+03 0.63189E-04 -0.11054E-04 3816 0.277E-02 0.929E-02 RMM: 6 -0.373011972729E+03 0.46240E-04 -0.40189E-05 3028 0.188E-02 0.480E-02 RMM: 7 -0.373011998513E+03 -0.25784E-04 -0.43650E-05 2999 0.182E-02 0.895E-02 RMM: 8 -0.373011954828E+03 0.43685E-04 -0.66045E-05 3541 0.203E-02 0.426E-02 RMM: 9 -0.373011946268E+03 0.85601E-05 -0.17091E-05 2499 0.119E-02 2991 T= 5612. E= 0.68396560E+03 F= 0.63754028E+03 E0= 0.66872197E+03 EK= 0.46425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374339208428E+03 -0.13273E+01 -0.16284E-01 8316 0.217E+01 0.189E-01 RMM: 2 -0.374350901423E+03 -0.11693E-01 -0.81531E-02 4956 0.644E-01 0.855E-01 RMM: 3 -0.374345682566E+03 0.52189E-02 -0.79870E-03 5651 0.185E-01 0.144E-01 RMM: 4 -0.374345658240E+03 0.24326E-04 -0.63040E-04 4656 0.574E-02 0.170E-01 RMM: 5 -0.374345488850E+03 0.16939E-03 -0.12403E-04 3822 0.296E-02 0.819E-02 RMM: 6 -0.374345449064E+03 0.39786E-04 -0.34593E-05 2953 0.178E-02 0.345E-02 RMM: 7 -0.374345454030E+03 -0.49667E-05 -0.18998E-05 2516 0.127E-02 2992 T= 5593. E= 0.68244163E+03 F= 0.63616994E+03 E0= 0.66736820E+03 EK= 0.46272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375690783784E+03 -0.13453E+01 -0.15993E-01 8376 0.220E+01 0.184E-01 RMM: 2 -0.375701687230E+03 -0.10903E-01 -0.69583E-02 5070 0.602E-01 0.883E-01 RMM: 3 -0.375696369859E+03 0.53174E-02 -0.69166E-03 5478 0.177E-01 0.176E-01 RMM: 4 -0.375696162764E+03 0.20709E-03 -0.56448E-04 4660 0.501E-02 0.853E-02 RMM: 5 -0.375696133546E+03 0.29218E-04 -0.85376E-05 3693 0.247E-02 0.802E-02 RMM: 6 -0.375696099483E+03 0.34063E-04 -0.30219E-05 2792 0.165E-02 0.444E-02 RMM: 7 -0.375696127602E+03 -0.28119E-04 -0.39750E-05 2988 0.171E-02 0.894E-02 RMM: 8 -0.375696078261E+03 0.49340E-04 -0.35000E-05 2744 0.176E-02 0.271E-02 RMM: 9 -0.375696076569E+03 0.16921E-05 -0.11367E-05 2451 0.932E-03 2993 T= 5839. E= 0.68308323E+03 F= 0.63477669E+03 E0= 0.66598369E+03 EK= 0.48307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376991997214E+03 -0.12959E+01 -0.16651E-01 8112 0.226E+01 0.198E-01 RMM: 2 -0.377004567441E+03 -0.12570E-01 -0.81885E-02 5021 0.659E-01 0.955E-01 RMM: 3 -0.376998580003E+03 0.59874E-02 -0.84538E-03 5659 0.185E-01 0.182E-01 RMM: 4 -0.376998354192E+03 0.22581E-03 -0.67853E-04 4668 0.583E-02 0.122E-01 RMM: 5 -0.376998273217E+03 0.80975E-04 -0.12531E-04 3880 0.289E-02 0.890E-02 RMM: 6 -0.376998227865E+03 0.45352E-04 -0.41024E-05 3081 0.188E-02 0.429E-02 RMM: 7 -0.376998237048E+03 -0.91825E-05 -0.27607E-05 2599 0.151E-02 2994 T= 6286. E= 0.68543028E+03 F= 0.63342701E+03 E0= 0.66463521E+03 EK= 0.52003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378143923396E+03 -0.11457E+01 -0.17908E-01 8004 0.235E+01 0.189E-01 RMM: 2 -0.378156637719E+03 -0.12714E-01 -0.87323E-02 5093 0.685E-01 0.913E-01 RMM: 3 -0.378151174055E+03 0.54637E-02 -0.89757E-03 5650 0.191E-01 0.195E-01 RMM: 4 -0.378150864146E+03 0.30991E-03 -0.61579E-04 4732 0.526E-02 0.898E-02 RMM: 5 -0.378150805866E+03 0.58280E-04 -0.92790E-05 3781 0.262E-02 0.749E-02 RMM: 6 -0.378150795366E+03 0.10499E-04 -0.33635E-05 2682 0.169E-02 2995 T= 6799. E= 0.68846700E+03 F= 0.63222289E+03 E0= 0.66342327E+03 EK= 0.56244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379035423007E+03 -0.88462E+00 -0.19071E-01 8220 0.242E+01 0.326E-01 RMM: 2 -0.379065789425E+03 -0.30366E-01 -0.97470E-02 5164 0.726E-01 0.190E+00 RMM: 3 -0.379042702623E+03 0.23087E-01 -0.14211E-02 5354 0.286E-01 0.334E-01 RMM: 4 -0.379042004545E+03 0.69808E-03 -0.15466E-03 4727 0.765E-02 0.110E-01 RMM: 5 -0.379041944461E+03 0.60083E-04 -0.19162E-04 3897 0.361E-02 0.100E-01 RMM: 6 -0.379041888482E+03 0.55979E-04 -0.58620E-05 3314 0.219E-02 0.679E-02 RMM: 7 -0.379041918170E+03 -0.29688E-04 -0.65017E-05 3493 0.224E-02 0.101E-01 RMM: 8 -0.379041850913E+03 0.67257E-04 -0.59408E-05 3279 0.196E-02 0.510E-02 RMM: 9 -0.379041839755E+03 0.11158E-04 -0.25823E-05 2601 0.147E-02 2996 T= 7180. E= 0.69067052E+03 F= 0.63127651E+03 E0= 0.66246251E+03 EK= 0.59394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379579020279E+03 -0.53717E+00 -0.18960E-01 7896 0.245E+01 0.358E-01 RMM: 2 -0.379612830456E+03 -0.33810E-01 -0.10516E-01 5091 0.771E-01 0.201E+00 RMM: 3 -0.379586710848E+03 0.26120E-01 -0.15175E-02 5369 0.295E-01 0.380E-01 RMM: 4 -0.379585791036E+03 0.91981E-03 -0.20155E-03 4853 0.955E-02 0.142E-01 RMM: 5 -0.379585793114E+03 -0.20778E-05 -0.30083E-04 3941 0.435E-02 0.159E-01 RMM: 6 -0.379585631081E+03 0.16203E-03 -0.93127E-05 3765 0.273E-02 0.408E-02 RMM: 7 -0.379585645532E+03 -0.14452E-04 -0.37988E-05 2998 0.172E-02 2997 T= 7252. E= 0.69066565E+03 F= 0.63067314E+03 E0= 0.66183697E+03 EK= 0.59993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379751652431E+03 -0.16602E+00 -0.18317E-01 7956 0.242E+01 0.232E-01 RMM: 2 -0.379770693029E+03 -0.19041E-01 -0.88521E-02 5135 0.664E-01 0.135E+00 RMM: 3 -0.379758446687E+03 0.12246E-01 -0.91113E-03 5370 0.215E-01 0.219E-01 RMM: 4 -0.379758160569E+03 0.28612E-03 -0.89406E-04 4703 0.615E-02 0.105E-01 RMM: 5 -0.379758120722E+03 0.39847E-04 -0.14522E-04 3888 0.325E-02 0.106E-01 RMM: 6 -0.379758057150E+03 0.63572E-04 -0.60025E-05 3360 0.213E-02 0.612E-02 RMM: 7 -0.379758116616E+03 -0.59466E-04 -0.93793E-05 3828 0.254E-02 0.119E-01 RMM: 8 -0.379758026263E+03 0.90354E-04 -0.57697E-05 3329 0.209E-02 0.362E-02 RMM: 9 -0.379758021016E+03 0.52462E-05 -0.14097E-05 2481 0.106E-02 2998 T= 6981. E= 0.68818664E+03 F= 0.63043576E+03 E0= 0.66157188E+03 EK= 0.57751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379600898119E+03 0.15713E+00 -0.17839E-01 7992 0.235E+01 0.187E-01 RMM: 2 -0.379613003713E+03 -0.12106E-01 -0.89251E-02 4878 0.670E-01 0.836E-01 RMM: 3 -0.379607887453E+03 0.51163E-02 -0.85019E-03 5654 0.193E-01 0.142E-01 RMM: 4 -0.379607872508E+03 0.14944E-04 -0.69905E-04 4658 0.608E-02 0.171E-01 RMM: 5 -0.379607703237E+03 0.16927E-03 -0.13810E-04 3823 0.307E-02 0.859E-02 RMM: 6 -0.379607661136E+03 0.42101E-04 -0.34864E-05 2927 0.180E-02 0.358E-02 RMM: 7 -0.379607670580E+03 -0.94435E-05 -0.25279E-05 2552 0.149E-02 2999 T= 6501. E= 0.68429453E+03 F= 0.63051419E+03 E0= 0.66161862E+03 EK= 0.53780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379220310270E+03 0.38735E+00 -0.16536E-01 7824 0.226E+01 0.197E-01 RMM: 2 -0.379231569823E+03 -0.11260E-01 -0.79840E-02 5217 0.623E-01 0.843E-01 RMM: 3 -0.379226402149E+03 0.51677E-02 -0.67651E-03 5571 0.175E-01 0.181E-01 RMM: 4 -0.379226293978E+03 0.10817E-03 -0.66071E-04 4642 0.579E-02 0.155E-01 RMM: 5 -0.379226159168E+03 0.13481E-03 -0.13171E-04 3879 0.298E-02 0.870E-02 RMM: 6 -0.379226118920E+03 0.40248E-04 -0.36251E-05 3004 0.181E-02 0.472E-02 RMM: 7 -0.379226155527E+03 -0.36607E-04 -0.60337E-05 3416 0.204E-02 0.948E-02 RMM: 8 -0.379226098708E+03 0.56819E-04 -0.39870E-05 2950 0.182E-02 0.225E-02 RMM: 9 -0.379226098321E+03 0.38716E-06 -0.10027E-05 2449 0.892E-03 3000 T= 6014. E= 0.68056982E+03 F= 0.63081577E+03 E0= 0.66188667E+03 EK= 0.49754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378704360548E+03 0.52174E+00 -0.15600E-01 8148 0.219E+01 0.183E-01 RMM: 2 -0.378714074189E+03 -0.97136E-02 -0.79222E-02 5123 0.605E-01 0.687E-01 RMM: 3 -0.378710404602E+03 0.36696E-02 -0.64974E-03 5722 0.164E-01 0.141E-01 RMM: 4 -0.378710461059E+03 -0.56456E-04 -0.63284E-04 4648 0.588E-02 0.199E-01 RMM: 5 -0.378710218074E+03 0.24299E-03 -0.15638E-04 3879 0.323E-02 0.788E-02 RMM: 6 -0.378710182656E+03 0.35418E-04 -0.34227E-05 2938 0.179E-02 0.372E-02 RMM: 7 -0.378710198155E+03 -0.15499E-04 -0.30457E-05 2615 0.152E-02 3001 T= 5681. E= 0.67824309E+03 F= 0.63124335E+03 E0= 0.66227885E+03 EK= 0.47000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378131021514E+03 0.57916E+00 -0.14554E-01 8340 0.215E+01 0.188E-01 RMM: 2 -0.378140346126E+03 -0.93246E-02 -0.71014E-02 5222 0.580E-01 0.737E-01 RMM: 3 -0.378136410310E+03 0.39358E-02 -0.60496E-03 5765 0.159E-01 0.169E-01 RMM: 4 -0.378136320377E+03 0.89933E-04 -0.55312E-04 4630 0.529E-02 0.155E-01 RMM: 5 -0.378136175222E+03 0.14515E-03 -0.10674E-04 3756 0.258E-02 0.751E-02 RMM: 6 -0.378136151681E+03 0.23541E-04 -0.32971E-05 2948 0.174E-02 0.494E-02 RMM: 7 -0.378136180132E+03 -0.28451E-04 -0.50050E-05 3213 0.190E-02 0.886E-02 RMM: 8 -0.378136129568E+03 0.50564E-04 -0.33107E-05 2855 0.175E-02 0.165E-02 RMM: 9 -0.378136130770E+03 -0.12020E-05 -0.80019E-06 2442 0.769E-03 3002 T= 5588. E= 0.67794822E+03 F= 0.63172179E+03 E0= 0.66272141E+03 EK= 0.46226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377542853710E+03 0.59328E+00 -0.14628E-01 8424 0.216E+01 0.165E-01 RMM: 2 -0.377551632392E+03 -0.87787E-02 -0.73296E-02 5117 0.574E-01 0.629E-01 RMM: 3 -0.377548581971E+03 0.30504E-02 -0.62066E-03 5789 0.155E-01 0.127E-01 RMM: 4 -0.377548594968E+03 -0.12997E-04 -0.51058E-04 4532 0.523E-02 0.171E-01 RMM: 5 -0.377548399063E+03 0.19590E-03 -0.12638E-04 3862 0.293E-02 0.666E-02 RMM: 6 -0.377548384310E+03 0.14754E-04 -0.41929E-05 3096 0.188E-02 3003 T= 5759. E= 0.67984857E+03 F= 0.63220869E+03 E0= 0.66317088E+03 EK= 0.47640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376954297119E+03 0.59410E+00 -0.14869E-01 8568 0.222E+01 0.263E-01 RMM: 2 -0.376976010827E+03 -0.21714E-01 -0.76895E-02 5290 0.604E-01 0.155E+00 RMM: 3 -0.376960022403E+03 0.15988E-01 -0.97946E-03 5367 0.227E-01 0.243E-01 RMM: 4 -0.376959659093E+03 0.36331E-03 -0.10334E-03 4778 0.626E-02 0.996E-02 RMM: 5 -0.376959634429E+03 0.24664E-04 -0.16021E-04 3884 0.338E-02 0.116E-01 RMM: 6 -0.376959563143E+03 0.71286E-04 -0.74903E-05 3587 0.238E-02 0.674E-02 RMM: 7 -0.376959620590E+03 -0.57447E-04 -0.90386E-05 3810 0.252E-02 0.120E-01 RMM: 8 -0.376959529275E+03 0.91315E-04 -0.51844E-05 3245 0.214E-02 0.358E-02 RMM: 9 -0.376959525150E+03 0.41258E-05 -0.12610E-05 2487 0.101E-02 3004 T= 6166. E= 0.68369931E+03 F= 0.63269403E+03 E0= 0.66361699E+03 EK= 0.51005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376348763692E+03 0.61077E+00 -0.16279E-01 8532 0.231E+01 0.269E-01 RMM: 2 -0.376373762201E+03 -0.24999E-01 -0.98013E-02 5125 0.689E-01 0.163E+00 RMM: 3 -0.376356201576E+03 0.17561E-01 -0.10907E-02 5398 0.237E-01 0.239E-01 RMM: 4 -0.376355855460E+03 0.34612E-03 -0.12394E-03 4678 0.729E-02 0.134E-01 RMM: 5 -0.376355813608E+03 0.41852E-04 -0.20913E-04 3877 0.385E-02 0.128E-01 RMM: 6 -0.376355709787E+03 0.10382E-03 -0.79450E-05 3618 0.253E-02 0.429E-02 RMM: 7 -0.376355727006E+03 -0.17219E-04 -0.41015E-05 3011 0.180E-02 3005 T= 6709. E= 0.68869355E+03 F= 0.63319362E+03 E0= 0.66407520E+03 EK= 0.55500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375697816403E+03 0.65789E+00 -0.17953E-01 8868 0.240E+01 0.199E-01 RMM: 2 -0.375713522943E+03 -0.15707E-01 -0.10245E-01 5332 0.700E-01 0.104E+00 RMM: 3 -0.375706107019E+03 0.74159E-02 -0.86141E-03 5567 0.192E-01 0.215E-01 RMM: 4 -0.375705794966E+03 0.31205E-03 -0.72556E-04 4801 0.542E-02 0.962E-02 RMM: 5 -0.375705718380E+03 0.76586E-04 -0.12444E-04 3872 0.310E-02 0.828E-02 RMM: 6 -0.375705736144E+03 -0.17764E-04 -0.66241E-05 3484 0.215E-02 3006 T= 7203. E= 0.69332631E+03 F= 0.63373943E+03 E0= 0.66457661E+03 EK= 0.59587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374973914020E+03 0.73180E+00 -0.19581E-01 8640 0.246E+01 0.315E-01 RMM: 2 -0.375003306760E+03 -0.29393E-01 -0.12911E-01 5082 0.794E-01 0.170E+00 RMM: 3 -0.374983948185E+03 0.19359E-01 -0.15164E-02 5357 0.286E-01 0.297E-01 RMM: 4 -0.374983412132E+03 0.53605E-03 -0.15935E-03 4900 0.745E-02 0.107E-01 RMM: 5 -0.374983353386E+03 0.58745E-04 -0.20662E-04 3901 0.398E-02 0.112E-01 RMM: 6 -0.374983297956E+03 0.55431E-04 -0.10752E-04 3841 0.285E-02 0.769E-02 RMM: 7 -0.374983368926E+03 -0.70970E-04 -0.88615E-05 3741 0.252E-02 0.134E-01 RMM: 8 -0.374983254514E+03 0.11441E-03 -0.54592E-05 3311 0.216E-02 0.422E-02 RMM: 9 -0.374983249441E+03 0.50729E-05 -0.16525E-05 2517 0.115E-02 3007 T= 7428. E= 0.69580752E+03 F= 0.63435685E+03 E0= 0.66515039E+03 EK= 0.61451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374182454810E+03 0.80080E+00 -0.20023E-01 8736 0.248E+01 0.330E-01 RMM: 2 -0.374211913122E+03 -0.29458E-01 -0.13248E-01 5139 0.830E-01 0.172E+00 RMM: 3 -0.374192873227E+03 0.19040E-01 -0.14924E-02 5386 0.285E-01 0.379E-01 RMM: 4 -0.374191945493E+03 0.92773E-03 -0.17836E-03 4805 0.888E-02 0.123E-01 RMM: 5 -0.374191918096E+03 0.27398E-04 -0.31181E-04 4138 0.473E-02 0.131E-01 RMM: 6 -0.374191814354E+03 0.10374E-03 -0.93933E-05 3746 0.262E-02 0.552E-02 RMM: 7 -0.374191845403E+03 -0.31049E-04 -0.57343E-05 3341 0.207E-02 0.916E-02 RMM: 8 -0.374191791565E+03 0.53838E-04 -0.34179E-05 2915 0.187E-02 0.235E-02 RMM: 9 -0.374191791241E+03 0.32446E-06 -0.94247E-06 2452 0.865E-03 3008 T= 7269. E= 0.69517167E+03 F= 0.63504026E+03 E0= 0.66578867E+03 EK= 0.60131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373363141454E+03 0.82865E+00 -0.19525E-01 8616 0.243E+01 0.264E-01 RMM: 2 -0.373385600808E+03 -0.22459E-01 -0.13196E-01 5015 0.804E-01 0.130E+00 RMM: 3 -0.373373626088E+03 0.11975E-01 -0.12362E-02 5472 0.245E-01 0.246E-01 RMM: 4 -0.373373293362E+03 0.33273E-03 -0.11942E-03 4739 0.744E-02 0.139E-01 RMM: 5 -0.373373249730E+03 0.43632E-04 -0.21237E-04 3900 0.369E-02 0.138E-01 RMM: 6 -0.373373141411E+03 0.10832E-03 -0.86396E-05 3629 0.259E-02 0.568E-02 RMM: 7 -0.373373185826E+03 -0.44415E-04 -0.74263E-05 3552 0.233E-02 0.104E-01 RMM: 8 -0.373373120871E+03 0.64955E-04 -0.43099E-05 3120 0.200E-02 0.406E-02 RMM: 9 -0.373373112073E+03 0.87983E-05 -0.11526E-05 2471 0.989E-03 3009 T= 6807. E= 0.69205644E+03 F= 0.63574531E+03 E0= 0.66644965E+03 EK= 0.56311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372585128436E+03 0.78799E+00 -0.18421E-01 8556 0.235E+01 0.239E-01 RMM: 2 -0.372601994727E+03 -0.16866E-01 -0.12509E-01 5033 0.783E-01 0.978E-01 RMM: 3 -0.372595065935E+03 0.69288E-02 -0.11365E-02 5689 0.224E-01 0.189E-01 RMM: 4 -0.372595002361E+03 0.63573E-04 -0.93968E-04 4683 0.688E-02 0.206E-01 RMM: 5 -0.372594787859E+03 0.21450E-03 -0.19393E-04 3888 0.359E-02 0.119E-01 RMM: 6 -0.372594704380E+03 0.83479E-04 -0.70754E-05 3426 0.240E-02 0.442E-02 RMM: 7 -0.372594735230E+03 -0.30849E-04 -0.43597E-05 3072 0.189E-02 0.866E-02 RMM: 8 -0.372594688414E+03 0.46816E-04 -0.32095E-05 2701 0.173E-02 0.309E-02 RMM: 9 -0.372594683589E+03 0.48250E-05 -0.10341E-05 2453 0.937E-03 3010 T= 6256. E= 0.68815954E+03 F= 0.63640240E+03 E0= 0.66706431E+03 EK= 0.51757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371912493846E+03 0.68219E+00 -0.17147E-01 8592 0.228E+01 0.245E-01 RMM: 2 -0.371929392139E+03 -0.16898E-01 -0.11665E-01 5057 0.764E-01 0.104E+00 RMM: 3 -0.371921634884E+03 0.77573E-02 -0.10644E-02 5680 0.216E-01 0.205E-01 RMM: 4 -0.371921536396E+03 0.98488E-04 -0.10823E-03 4686 0.762E-02 0.206E-01 RMM: 5 -0.371921316596E+03 0.21980E-03 -0.21659E-04 3880 0.369E-02 0.118E-01 RMM: 6 -0.371921232794E+03 0.83802E-04 -0.57744E-05 3322 0.222E-02 0.426E-02 RMM: 7 -0.371921256256E+03 -0.23462E-04 -0.44877E-05 3097 0.189E-02 0.785E-02 RMM: 8 -0.371921220431E+03 0.35825E-04 -0.33656E-05 2742 0.174E-02 0.329E-02 RMM: 9 -0.371921215243E+03 0.51881E-05 -0.10000E-05 2451 0.906E-03 3011 T= 5820. E= 0.68509108E+03 F= 0.63694600E+03 E0= 0.66756713E+03 EK= 0.48145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371385367774E+03 0.53585E+00 -0.15842E-01 8628 0.223E+01 0.234E-01 RMM: 2 -0.371398515726E+03 -0.13148E-01 -0.99088E-02 5099 0.701E-01 0.881E-01 RMM: 3 -0.371392962435E+03 0.55533E-02 -0.90579E-03 5672 0.198E-01 0.180E-01 RMM: 4 -0.371393022650E+03 -0.60215E-04 -0.87114E-04 4636 0.677E-02 0.233E-01 RMM: 5 -0.371392720223E+03 0.30243E-03 -0.19695E-04 3882 0.352E-02 0.117E-01 RMM: 6 -0.371392638520E+03 0.81704E-04 -0.69044E-05 3435 0.239E-02 0.440E-02 RMM: 7 -0.371392666661E+03 -0.28142E-04 -0.42079E-05 3049 0.184E-02 0.835E-02 RMM: 8 -0.371392623125E+03 0.43536E-04 -0.34541E-05 2726 0.175E-02 0.321E-02 RMM: 9 -0.371392618237E+03 0.48883E-05 -0.11309E-05 2454 0.976E-03 3012 T= 5616. E= 0.68379836E+03 F= 0.63733713E+03 E0= 0.66791880E+03 EK= 0.46461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371006917635E+03 0.38571E+00 -0.15433E-01 8676 0.224E+01 0.204E-01 RMM: 2 -0.371018284761E+03 -0.11367E-01 -0.92988E-02 5060 0.674E-01 0.736E-01 RMM: 3 -0.371014198826E+03 0.40859E-02 -0.83477E-03 5822 0.181E-01 0.162E-01 RMM: 4 -0.371014175683E+03 0.23143E-04 -0.73631E-04 4643 0.643E-02 0.202E-01 RMM: 5 -0.371013940113E+03 0.23557E-03 -0.18501E-04 3882 0.349E-02 0.978E-02 RMM: 6 -0.371013888580E+03 0.51533E-04 -0.48036E-05 3198 0.203E-02 0.488E-02 RMM: 7 -0.371013918655E+03 -0.30075E-04 -0.53946E-05 3321 0.200E-02 0.893E-02 RMM: 8 -0.371013867264E+03 0.51391E-04 -0.32237E-05 2874 0.176E-02 0.265E-02 RMM: 9 -0.371013864133E+03 0.31312E-05 -0.85681E-06 2444 0.806E-03 3013 T= 5688. E= 0.68462909E+03 F= 0.63757334E+03 E0= 0.66811679E+03 EK= 0.47056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370747854428E+03 0.26601E+00 -0.15420E-01 8448 0.229E+01 0.209E-01 RMM: 2 -0.370760509510E+03 -0.12655E-01 -0.92792E-02 5039 0.680E-01 0.874E-01 RMM: 3 -0.370755174154E+03 0.53354E-02 -0.90653E-03 5752 0.189E-01 0.174E-01 RMM: 4 -0.370755020611E+03 0.15354E-03 -0.70099E-04 4655 0.605E-02 0.155E-01 RMM: 5 -0.370754896609E+03 0.12400E-03 -0.15716E-04 3881 0.324E-02 0.109E-01 RMM: 6 -0.370754835147E+03 0.61463E-04 -0.71577E-05 3489 0.239E-02 0.574E-02 RMM: 7 -0.370754877265E+03 -0.42118E-04 -0.56651E-05 3353 0.208E-02 0.103E-01 RMM: 8 -0.370754808159E+03 0.69106E-04 -0.33351E-05 2912 0.180E-02 0.304E-02 RMM: 9 -0.370754803767E+03 0.43922E-05 -0.96849E-06 2453 0.865E-03 3014 T= 6020. E= 0.68748665E+03 F= 0.63768796E+03 E0= 0.66819428E+03 EK= 0.49799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370549333009E+03 0.20548E+00 -0.16466E-01 8100 0.238E+01 0.193E-01 RMM: 2 -0.370561727565E+03 -0.12395E-01 -0.95005E-02 5066 0.695E-01 0.818E-01 RMM: 3 -0.370556976832E+03 0.47507E-02 -0.91360E-03 5838 0.186E-01 0.172E-01 RMM: 4 -0.370556760144E+03 0.21669E-03 -0.62959E-04 4651 0.580E-02 0.135E-01 RMM: 5 -0.370556660830E+03 0.99314E-04 -0.15345E-04 3882 0.331E-02 0.100E-01 RMM: 6 -0.370556620965E+03 0.39865E-04 -0.65117E-05 3445 0.226E-02 0.696E-02 RMM: 7 -0.370556650458E+03 -0.29493E-04 -0.66463E-05 3560 0.224E-02 0.103E-01 RMM: 8 -0.370556580253E+03 0.70205E-04 -0.34954E-05 2992 0.182E-02 0.292E-02 RMM: 9 -0.370556577544E+03 0.27086E-05 -0.10555E-05 2458 0.883E-03 3015 T= 6530. E= 0.69176547E+03 F= 0.63774254E+03 E0= 0.66821346E+03 EK= 0.54023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370339797248E+03 0.21678E+00 -0.17815E-01 8148 0.247E+01 0.218E-01 RMM: 2 -0.370354868293E+03 -0.15071E-01 -0.10273E-01 5053 0.740E-01 0.999E-01 RMM: 3 -0.370348111096E+03 0.67572E-02 -0.10564E-02 5665 0.209E-01 0.198E-01 RMM: 4 -0.370347838655E+03 0.27244E-03 -0.77412E-04 4711 0.612E-02 0.125E-01 RMM: 5 -0.370347748634E+03 0.90021E-04 -0.16224E-04 3881 0.346E-02 0.102E-01 RMM: 6 -0.370347710132E+03 0.38502E-04 -0.76210E-05 3549 0.241E-02 0.760E-02 RMM: 7 -0.370347742607E+03 -0.32474E-04 -0.74237E-05 3639 0.235E-02 0.109E-01 RMM: 8 -0.370347662535E+03 0.80071E-04 -0.41108E-05 3104 0.193E-02 0.302E-02 RMM: 9 -0.370347660378E+03 0.21570E-05 -0.12370E-05 2462 0.979E-03 3016 T= 7056. E= 0.69617926E+03 F= 0.63780970E+03 E0= 0.66824768E+03 EK= 0.58370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370067282011E+03 0.28038E+00 -0.18527E-01 8112 0.254E+01 0.221E-01 RMM: 2 -0.370081325461E+03 -0.14043E-01 -0.97481E-02 5156 0.727E-01 0.961E-01 RMM: 3 -0.370075070513E+03 0.62549E-02 -0.94563E-03 5697 0.197E-01 0.204E-01 RMM: 4 -0.370074814587E+03 0.25593E-03 -0.75500E-04 4636 0.625E-02 0.142E-01 RMM: 5 -0.370074709919E+03 0.10467E-03 -0.17595E-04 3877 0.355E-02 0.108E-01 RMM: 6 -0.370074660008E+03 0.49911E-04 -0.77027E-05 3549 0.246E-02 0.705E-02 RMM: 7 -0.370074701545E+03 -0.41536E-04 -0.71456E-05 3607 0.229E-02 0.113E-01 RMM: 8 -0.370074618775E+03 0.82769E-04 -0.39895E-05 3069 0.194E-02 0.313E-02 RMM: 9 -0.370074615926E+03 0.28499E-05 -0.11805E-05 2463 0.946E-03 3017 T= 7377. E= 0.69896745E+03 F= 0.63794195E+03 E0= 0.66835089E+03 EK= 0.61026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369725016303E+03 0.34960E+00 -0.18483E-01 7920 0.255E+01 0.238E-01 RMM: 2 -0.369738944610E+03 -0.13928E-01 -0.94155E-02 5084 0.730E-01 0.989E-01 RMM: 3 -0.369732477996E+03 0.64666E-02 -0.98588E-03 5553 0.208E-01 0.197E-01 RMM: 4 -0.369732330873E+03 0.14712E-03 -0.85685E-04 4633 0.659E-02 0.165E-01 RMM: 5 -0.369732194425E+03 0.13645E-03 -0.18037E-04 3883 0.346E-02 0.121E-01 RMM: 6 -0.369732118627E+03 0.75798E-04 -0.84361E-05 3612 0.259E-02 0.613E-02 RMM: 7 -0.369732165470E+03 -0.46843E-04 -0.67969E-05 3469 0.224E-02 0.111E-01 RMM: 8 -0.369732086978E+03 0.78492E-04 -0.39918E-05 3041 0.195E-02 0.308E-02 RMM: 9 -0.369732083286E+03 0.36919E-05 -0.11389E-05 2460 0.951E-03 3018 T= 7337. E= 0.69883542E+03 F= 0.63814201E+03 E0= 0.66852692E+03 EK= 0.60693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369360801128E+03 0.37129E+00 -0.17655E-01 7788 0.249E+01 0.250E-01 RMM: 2 -0.369374206003E+03 -0.13405E-01 -0.84024E-02 5123 0.702E-01 0.104E+00 RMM: 3 -0.369367165415E+03 0.70406E-02 -0.85122E-03 5504 0.195E-01 0.202E-01 RMM: 4 -0.369367078581E+03 0.86835E-04 -0.91929E-04 4631 0.714E-02 0.202E-01 RMM: 5 -0.369366891681E+03 0.18690E-03 -0.21840E-04 3888 0.382E-02 0.134E-01 RMM: 6 -0.369366787776E+03 0.10390E-03 -0.81465E-05 3557 0.261E-02 0.519E-02 RMM: 7 -0.369366823192E+03 -0.35415E-04 -0.57810E-05 3334 0.209E-02 0.945E-02 RMM: 8 -0.369366767722E+03 0.55469E-04 -0.33813E-05 2862 0.181E-02 0.368E-02 RMM: 9 -0.369366760243E+03 0.74790E-05 -0.10823E-05 2457 0.943E-03 3019 T= 6960. E= 0.69593985E+03 F= 0.63835977E+03 E0= 0.66872665E+03 EK= 0.57580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369047593333E+03 0.31917E+00 -0.16511E-01 7824 0.240E+01 0.256E-01 RMM: 2 -0.369059676400E+03 -0.12083E-01 -0.81081E-02 5140 0.679E-01 0.961E-01 RMM: 3 -0.369053579826E+03 0.60966E-02 -0.84614E-03 5547 0.196E-01 0.182E-01 RMM: 4 -0.369053733712E+03 -0.15389E-03 -0.96366E-04 4636 0.732E-02 0.259E-01 RMM: 5 -0.369053339975E+03 0.39374E-03 -0.23199E-04 3897 0.381E-02 0.123E-01 RMM: 6 -0.369053255776E+03 0.84198E-04 -0.85619E-05 3611 0.262E-02 0.550E-02 RMM: 7 -0.369053296380E+03 -0.40603E-04 -0.61447E-05 3389 0.211E-02 0.102E-01 RMM: 8 -0.369053231248E+03 0.65132E-04 -0.39991E-05 3004 0.193E-02 0.340E-02 RMM: 9 -0.369053226040E+03 0.52071E-05 -0.12646E-05 2467 0.103E-02 3020 T= 6433. E= 0.69173689E+03 F= 0.63851758E+03 E0= 0.66887253E+03 EK= 0.53219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368855744062E+03 0.19749E+00 -0.15853E-01 8316 0.230E+01 0.270E-01 RMM: 2 -0.368870416913E+03 -0.14673E-01 -0.84907E-02 5178 0.678E-01 0.113E+00 RMM: 3 -0.368861869018E+03 0.85479E-02 -0.86850E-03 5548 0.200E-01 0.206E-01 RMM: 4 -0.368861910192E+03 -0.41174E-04 -0.11241E-03 4649 0.783E-02 0.252E-01 RMM: 5 -0.368861570432E+03 0.33976E-03 -0.27279E-04 3905 0.419E-02 0.135E-01 RMM: 6 -0.368861465811E+03 0.10462E-03 -0.87573E-05 3629 0.270E-02 0.569E-02 RMM: 7 -0.368861505372E+03 -0.39561E-04 -0.65882E-05 3445 0.220E-02 0.995E-02 RMM: 8 -0.368861444738E+03 0.60634E-04 -0.38629E-05 2999 0.190E-02 0.385E-02 RMM: 9 -0.368861437099E+03 0.76392E-05 -0.12308E-05 2474 0.101E-02 3021 T= 5967. E= 0.68790370E+03 F= 0.63854389E+03 E0= 0.66889286E+03 EK= 0.49360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368833628108E+03 0.27817E-01 -0.15480E-01 8820 0.223E+01 0.266E-01 RMM: 2 -0.368847772558E+03 -0.14144E-01 -0.87765E-02 5241 0.671E-01 0.106E+00 RMM: 3 -0.368840030519E+03 0.77420E-02 -0.87367E-03 5507 0.201E-01 0.205E-01 RMM: 4 -0.368840077676E+03 -0.47157E-04 -0.10559E-03 4641 0.744E-02 0.244E-01 RMM: 5 -0.368839764819E+03 0.31286E-03 -0.25035E-04 3894 0.395E-02 0.144E-01 RMM: 6 -0.368839646848E+03 0.11797E-03 -0.11560E-04 3840 0.303E-02 0.626E-02 RMM: 7 -0.368839706686E+03 -0.59838E-04 -0.76800E-05 3538 0.232E-02 0.118E-01 RMM: 8 -0.368839621730E+03 0.84957E-04 -0.48438E-05 3202 0.212E-02 0.400E-02 RMM: 9 -0.368839613339E+03 0.83902E-05 -0.12817E-05 2486 0.104E-02 3022 T= 5701. E= 0.68555742E+03 F= 0.63839097E+03 E0= 0.66873899E+03 EK= 0.47166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369007172429E+03 -0.16755E+00 -0.15772E-01 9132 0.220E+01 0.260E-01 RMM: 2 -0.369023062438E+03 -0.15890E-01 -0.89043E-02 5335 0.664E-01 0.117E+00 RMM: 3 -0.369013664729E+03 0.93977E-02 -0.80869E-03 5470 0.195E-01 0.200E-01 RMM: 4 -0.369013613475E+03 0.51254E-04 -0.10396E-03 4634 0.731E-02 0.212E-01 RMM: 5 -0.369013394539E+03 0.21894E-03 -0.25730E-04 3893 0.412E-02 0.139E-01 RMM: 6 -0.369013295213E+03 0.99326E-04 -0.10564E-04 3797 0.287E-02 0.709E-02 RMM: 7 -0.369013353277E+03 -0.58064E-04 -0.89424E-05 3753 0.250E-02 0.119E-01 RMM: 8 -0.369013264175E+03 0.89103E-04 -0.46193E-05 3213 0.208E-02 0.398E-02 RMM: 9 -0.369013255608E+03 0.85667E-05 -0.11243E-05 2475 0.952E-03 3023 T= 5698. E= 0.68517187E+03 F= 0.63803581E+03 E0= 0.66838693E+03 EK= 0.47136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369378921262E+03 -0.36566E+00 -0.16857E-01 9120 0.221E+01 0.246E-01 RMM: 2 -0.369394612286E+03 -0.15691E-01 -0.97572E-02 5350 0.677E-01 0.108E+00 RMM: 3 -0.369386305247E+03 0.83070E-02 -0.85234E-03 5493 0.198E-01 0.207E-01 RMM: 4 -0.369386148848E+03 0.15640E-03 -0.92773E-04 4651 0.668E-02 0.174E-01 RMM: 5 -0.369386005112E+03 0.14374E-03 -0.24003E-04 3888 0.407E-02 0.132E-01 RMM: 6 -0.369385925743E+03 0.79369E-04 -0.12004E-04 3864 0.301E-02 0.822E-02 RMM: 7 -0.369385997565E+03 -0.71822E-04 -0.10210E-04 3799 0.265E-02 0.135E-01 RMM: 8 -0.369385882024E+03 0.11554E-03 -0.57148E-05 3360 0.227E-02 0.374E-02 RMM: 9 -0.369385875832E+03 0.61919E-05 -0.12673E-05 2489 0.102E-02 3024 T= 5955. E= 0.68673824E+03 F= 0.63747851E+03 E0= 0.66783518E+03 EK= 0.49260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369925192046E+03 -0.53931E+00 -0.18770E-01 9168 0.227E+01 0.221E-01 RMM: 2 -0.369941887191E+03 -0.16695E-01 -0.11209E-01 5402 0.707E-01 0.105E+00 RMM: 3 -0.369933803618E+03 0.80836E-02 -0.83693E-03 5536 0.190E-01 0.194E-01 RMM: 4 -0.369933597039E+03 0.20658E-03 -0.85971E-04 4672 0.635E-02 0.145E-01 RMM: 5 -0.369933481914E+03 0.11513E-03 -0.22390E-04 3883 0.404E-02 0.113E-01 RMM: 6 -0.369933455965E+03 0.25949E-04 -0.10920E-04 3853 0.280E-02 0.994E-02 RMM: 7 -0.369933470397E+03 -0.14432E-04 -0.93476E-05 3812 0.260E-02 3025 T= 6410. E= 0.68977533E+03 F= 0.63674635E+03 E0= 0.66710889E+03 EK= 0.53029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370592145199E+03 -0.65869E+00 -0.21168E-01 9168 0.235E+01 0.220E-01 RMM: 2 -0.370609058584E+03 -0.16913E-01 -0.12824E-01 5452 0.738E-01 0.936E-01 RMM: 3 -0.370602073414E+03 0.69852E-02 -0.85083E-03 5550 0.190E-01 0.218E-01 RMM: 4 -0.370601805039E+03 0.26837E-03 -0.85994E-04 4711 0.619E-02 0.147E-01 RMM: 5 -0.370601668709E+03 0.13633E-03 -0.27727E-04 3946 0.457E-02 0.116E-01 RMM: 6 -0.370601709962E+03 -0.41254E-04 -0.16191E-04 3880 0.333E-02 0.147E-01 RMM: 7 -0.370601650428E+03 0.59535E-04 -0.12997E-04 3885 0.309E-02 0.114E-01 RMM: 8 -0.370601569243E+03 0.81185E-04 -0.59915E-05 3408 0.224E-02 0.397E-02 RMM: 9 -0.370601572850E+03 -0.36075E-05 -0.18774E-05 2533 0.120E-02 3026 T= 6926. E= 0.69319044E+03 F= 0.63589543E+03 E0= 0.66626316E+03 EK= 0.57295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371304820629E+03 -0.70325E+00 -0.23443E-01 9024 0.242E+01 0.209E-01 RMM: 2 -0.371323500353E+03 -0.18680E-01 -0.14706E-01 5382 0.789E-01 0.920E-01 RMM: 3 -0.371316467214E+03 0.70331E-02 -0.99771E-03 5684 0.200E-01 0.189E-01 RMM: 4 -0.371316233427E+03 0.23379E-03 -0.87779E-04 4736 0.630E-02 0.141E-01 RMM: 5 -0.371316110980E+03 0.12245E-03 -0.20850E-04 3884 0.394E-02 0.963E-02 RMM: 6 -0.371316101257E+03 0.97224E-05 -0.10668E-04 3832 0.280E-02 3027 T= 7297. E= 0.69536761E+03 F= 0.63499906E+03 E0= 0.66536722E+03 EK= 0.60369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371994953708E+03 -0.67884E+00 -0.25588E-01 8832 0.244E+01 0.374E-01 RMM: 2 -0.372036178579E+03 -0.41225E-01 -0.16530E-01 5330 0.847E-01 0.203E+00 RMM: 3 -0.372007196313E+03 0.28982E-01 -0.16866E-02 5367 0.301E-01 0.352E-01 RMM: 4 -0.372006474599E+03 0.72171E-03 -0.20622E-03 4896 0.932E-02 0.176E-01 RMM: 5 -0.372006503749E+03 -0.29150E-04 -0.53538E-04 4567 0.583E-02 0.218E-01 RMM: 6 -0.372006248199E+03 0.25555E-03 -0.29413E-04 3932 0.453E-02 0.108E-01 RMM: 7 -0.372006376169E+03 -0.12797E-03 -0.21589E-04 3907 0.391E-02 0.174E-01 RMM: 8 -0.372006203101E+03 0.17307E-03 -0.11034E-04 3866 0.309E-02 0.712E-02 RMM: 9 -0.372006177155E+03 0.25946E-04 -0.21914E-05 2664 0.135E-02 0.365E-02 RMM: 10 -0.372006185362E+03 -0.82075E-05 -0.18265E-05 2510 0.121E-02 3028 T= 7347. E= 0.69490848E+03 F= 0.63412508E+03 E0= 0.66448991E+03 EK= 0.60783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372622065645E+03 -0.61589E+00 -0.25484E-01 8676 0.241E+01 0.355E-01 RMM: 2 -0.372661695421E+03 -0.39630E-01 -0.16683E-01 5120 0.862E-01 0.194E+00 RMM: 3 -0.372634967193E+03 0.26728E-01 -0.17096E-02 5393 0.302E-01 0.376E-01 RMM: 4 -0.372634049861E+03 0.91733E-03 -0.22785E-03 5076 0.102E-01 0.152E-01 RMM: 5 -0.372634119719E+03 -0.69858E-04 -0.42490E-04 4273 0.513E-02 0.196E-01 RMM: 6 -0.372633877728E+03 0.24199E-03 -0.16862E-04 3871 0.349E-02 0.601E-02 RMM: 7 -0.372633936130E+03 -0.58402E-04 -0.82407E-05 3597 0.236E-02 0.113E-01 RMM: 8 -0.372633861015E+03 0.75115E-04 -0.39755E-05 3061 0.201E-02 0.390E-02 RMM: 9 -0.372633853733E+03 0.72827E-05 -0.10263E-05 2472 0.918E-03 3029 T= 7052. E= 0.69164293E+03 F= 0.63330715E+03 E0= 0.66366156E+03 EK= 0.58336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373192634700E+03 -0.55877E+00 -0.23313E-01 8640 0.234E+01 0.281E-01 RMM: 2 -0.373210706056E+03 -0.18071E-01 -0.14529E-01 5449 0.777E-01 0.921E-01 RMM: 3 -0.373203621616E+03 0.70844E-02 -0.97198E-03 5466 0.210E-01 0.204E-01 RMM: 4 -0.373203959200E+03 -0.33758E-03 -0.13080E-03 4729 0.844E-02 0.321E-01 RMM: 5 -0.373203352844E+03 0.60636E-03 -0.39478E-04 4192 0.501E-02 0.145E-01 RMM: 6 -0.373203248628E+03 0.10422E-03 -0.15076E-04 3878 0.329E-02 0.784E-02 RMM: 7 -0.373203318336E+03 -0.69708E-04 -0.99015E-05 3761 0.263E-02 0.132E-01 RMM: 8 -0.373203207033E+03 0.11130E-03 -0.51444E-05 3307 0.217E-02 0.345E-02 RMM: 9 -0.373203204385E+03 0.26480E-05 -0.13522E-05 2495 0.102E-02 3030 T= 6557. E= 0.68677719E+03 F= 0.63253687E+03 E0= 0.66287600E+03 EK= 0.54240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373734804333E+03 -0.53160E+00 -0.20564E-01 8748 0.225E+01 0.287E-01 RMM: 2 -0.373755433655E+03 -0.20629E-01 -0.14932E-01 5201 0.814E-01 0.110E+00 RMM: 3 -0.373746458913E+03 0.89747E-02 -0.12423E-02 5627 0.225E-01 0.212E-01 RMM: 4 -0.373746589515E+03 -0.13060E-03 -0.14489E-03 4838 0.889E-02 0.294E-01 RMM: 5 -0.373746110635E+03 0.47888E-03 -0.38872E-04 4242 0.502E-02 0.144E-01 RMM: 6 -0.373745993866E+03 0.11677E-03 -0.11659E-04 3833 0.289E-02 0.579E-02 RMM: 7 -0.373746043788E+03 -0.49922E-04 -0.61555E-05 3400 0.212E-02 0.108E-01 RMM: 8 -0.373745968500E+03 0.75287E-04 -0.34990E-05 2988 0.190E-02 0.286E-02 RMM: 9 -0.373745965932E+03 0.25683E-05 -0.95426E-06 2464 0.858E-03 3031 T= 6069. E= 0.68198482E+03 F= 0.63177976E+03 E0= 0.66209897E+03 EK= 0.50205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374288378035E+03 -0.54241E+00 -0.17300E-01 8628 0.218E+01 0.269E-01 RMM: 2 -0.374303139760E+03 -0.14762E-01 -0.12288E-01 5325 0.721E-01 0.816E-01 RMM: 3 -0.374297572266E+03 0.55675E-02 -0.92327E-03 5498 0.196E-01 0.202E-01 RMM: 4 -0.374297978995E+03 -0.40673E-03 -0.13496E-03 4782 0.872E-02 0.338E-01 RMM: 5 -0.374297281289E+03 0.69771E-03 -0.40983E-04 4173 0.515E-02 0.131E-01 RMM: 6 -0.374297191878E+03 0.89410E-04 -0.11388E-04 3848 0.283E-02 0.669E-02 RMM: 7 -0.374297230800E+03 -0.38922E-04 -0.68404E-05 3495 0.224E-02 0.108E-01 RMM: 8 -0.374297156420E+03 0.74380E-04 -0.37154E-05 3074 0.193E-02 0.239E-02 RMM: 9 -0.374297158459E+03 -0.20388E-05 -0.11195E-05 2472 0.929E-03 3032 T= 5744. E= 0.67851492E+03 F= 0.63100054E+03 E0= 0.66129618E+03 EK= 0.47514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374866456790E+03 -0.56930E+00 -0.15313E-01 8676 0.215E+01 0.262E-01 RMM: 2 -0.374879308498E+03 -0.12852E-01 -0.96098E-02 5280 0.640E-01 0.876E-01 RMM: 3 -0.374873246102E+03 0.60624E-02 -0.70913E-03 5505 0.177E-01 0.179E-01 RMM: 4 -0.374873627998E+03 -0.38190E-03 -0.11893E-03 4652 0.818E-02 0.320E-01 RMM: 5 -0.374873011527E+03 0.61647E-03 -0.41821E-04 4329 0.535E-02 0.120E-01 RMM: 6 -0.374872945871E+03 0.65656E-04 -0.10592E-04 3799 0.269E-02 0.727E-02 RMM: 7 -0.374872961778E+03 -0.15906E-04 -0.52080E-05 3301 0.207E-02 3033 T= 5656. E= 0.67697202E+03 F= 0.63018552E+03 E0= 0.66045458E+03 EK= 0.46786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375456864214E+03 -0.58392E+00 -0.14794E-01 8760 0.217E+01 0.247E-01 RMM: 2 -0.375465984441E+03 -0.91202E-02 -0.81853E-02 5373 0.590E-01 0.631E-01 RMM: 3 -0.375462580278E+03 0.34042E-02 -0.54918E-03 5582 0.153E-01 0.187E-01 RMM: 4 -0.375462917444E+03 -0.33717E-03 -0.98338E-04 4638 0.767E-02 0.313E-01 RMM: 5 -0.375462274010E+03 0.64343E-03 -0.46608E-04 4469 0.567E-02 0.929E-02 RMM: 6 -0.375462329926E+03 -0.55916E-04 -0.14298E-04 3876 0.307E-02 0.136E-01 RMM: 7 -0.375462238302E+03 0.91624E-04 -0.77170E-05 3685 0.269E-02 0.775E-02 RMM: 8 -0.375462202220E+03 0.36082E-04 -0.22680E-05 2760 0.147E-02 0.292E-02 RMM: 9 -0.375462208882E+03 -0.66622E-05 -0.13130E-05 2494 0.101E-02 3034 T= 5816. E= 0.67746548E+03 F= 0.62935033E+03 E0= 0.65959040E+03 EK= 0.48115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376017800691E+03 -0.55560E+00 -0.15344E-01 8736 0.223E+01 0.202E-01 RMM: 2 -0.376027748139E+03 -0.99474E-02 -0.82345E-02 5283 0.608E-01 0.691E-01 RMM: 3 -0.376023959357E+03 0.37888E-02 -0.60569E-03 5746 0.155E-01 0.153E-01 RMM: 4 -0.376023955978E+03 0.33787E-05 -0.67803E-04 4651 0.624E-02 0.202E-01 RMM: 5 -0.376023728553E+03 0.22743E-03 -0.36521E-04 4415 0.535E-02 0.110E-01 RMM: 6 -0.376023724791E+03 0.37622E-05 -0.15281E-04 3872 0.323E-02 3035 T= 6184. E= 0.67969549E+03 F= 0.62854093E+03 E0= 0.65875068E+03 EK= 0.51155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376483052759E+03 -0.45932E+00 -0.16360E-01 8736 0.231E+01 0.326E-01 RMM: 2 -0.376508781315E+03 -0.25729E-01 -0.92776E-02 5314 0.677E-01 0.168E+00 RMM: 3 -0.376489563822E+03 0.19217E-01 -0.11086E-02 5364 0.250E-01 0.295E-01 RMM: 4 -0.376489096857E+03 0.46696E-03 -0.13402E-03 4684 0.759E-02 0.173E-01 RMM: 5 -0.376489037678E+03 0.59179E-04 -0.75952E-04 4608 0.786E-02 0.198E-01 RMM: 6 -0.376488890830E+03 0.14685E-03 -0.35963E-04 4273 0.492E-02 0.133E-01 RMM: 7 -0.376488937593E+03 -0.46763E-04 -0.19028E-04 3884 0.387E-02 0.166E-01 RMM: 8 -0.376488766789E+03 0.17080E-03 -0.10780E-04 3794 0.311E-02 0.446E-02 RMM: 9 -0.376488767082E+03 -0.29278E-06 -0.17903E-05 2552 0.126E-02 3036 T= 6653. E= 0.68286963E+03 F= 0.62782940E+03 E0= 0.65800545E+03 EK= 0.55040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376773445534E+03 -0.28468E+00 -0.17373E-01 8592 0.239E+01 0.296E-01 RMM: 2 -0.376800153789E+03 -0.26708E-01 -0.94974E-02 5356 0.661E-01 0.170E+00 RMM: 3 -0.376780117036E+03 0.20037E-01 -0.10371E-02 5365 0.240E-01 0.268E-01 RMM: 4 -0.376779688448E+03 0.42859E-03 -0.13055E-03 4666 0.757E-02 0.143E-01 RMM: 5 -0.376779672473E+03 0.15975E-04 -0.35976E-04 4442 0.526E-02 0.168E-01 RMM: 6 -0.376779514783E+03 0.15769E-03 -0.17466E-04 3877 0.356E-02 0.734E-02 RMM: 7 -0.376779574504E+03 -0.59721E-04 -0.92315E-05 3679 0.264E-02 0.125E-01 RMM: 8 -0.376779474754E+03 0.99749E-04 -0.45842E-05 3236 0.209E-02 0.290E-02 RMM: 9 -0.376779472006E+03 0.27487E-05 -0.81007E-06 2464 0.790E-03 3037 T= 7058. E= 0.68568079E+03 F= 0.62729418E+03 E0= 0.65743760E+03 EK= 0.58387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376833736943E+03 -0.54262E-01 -0.18308E-01 8628 0.244E+01 0.264E-01 RMM: 2 -0.376849681970E+03 -0.15945E-01 -0.95558E-02 5358 0.666E-01 0.113E+00 RMM: 3 -0.376840687883E+03 0.89941E-02 -0.80046E-03 5410 0.198E-01 0.226E-01 RMM: 4 -0.376840484808E+03 0.20308E-03 -0.99974E-04 4645 0.699E-02 0.187E-01 RMM: 5 -0.376840309275E+03 0.17553E-03 -0.59130E-04 4599 0.690E-02 0.147E-01 RMM: 6 -0.376840270135E+03 0.39140E-04 -0.20206E-04 3880 0.361E-02 0.130E-01 RMM: 7 -0.376840237430E+03 0.32705E-04 -0.12461E-04 3876 0.332E-02 0.115E-01 RMM: 8 -0.376840154819E+03 0.82611E-04 -0.43594E-05 3191 0.198E-02 0.350E-02 RMM: 9 -0.376840154007E+03 0.81240E-06 -0.12629E-05 2481 0.102E-02 3038 T= 7222. E= 0.68673596E+03 F= 0.62698867E+03 E0= 0.65709905E+03 EK= 0.59747E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376666511388E+03 0.17364E+00 -0.18454E-01 8304 0.243E+01 0.256E-01 RMM: 2 -0.376678099801E+03 -0.11588E-01 -0.97511E-02 5348 0.657E-01 0.756E-01 RMM: 3 -0.376673377095E+03 0.47227E-02 -0.68844E-03 5622 0.176E-01 0.184E-01 RMM: 4 -0.376673665128E+03 -0.28803E-03 -0.10007E-03 4650 0.748E-02 0.300E-01 RMM: 5 -0.376673104287E+03 0.56084E-03 -0.38742E-04 4271 0.523E-02 0.116E-01 RMM: 6 -0.376673075239E+03 0.29048E-04 -0.14055E-04 3877 0.313E-02 0.997E-02 RMM: 7 -0.376673072814E+03 0.24258E-05 -0.62996E-05 3460 0.230E-02 3039 T= 7071. E= 0.68540035E+03 F= 0.62690627E+03 E0= 0.65698529E+03 EK= 0.58494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376339851235E+03 0.33322E+00 -0.18357E-01 8484 0.238E+01 0.316E-01 RMM: 2 -0.376350790273E+03 -0.10939E-01 -0.10148E-01 5330 0.684E-01 0.719E-01 RMM: 3 -0.376346774545E+03 0.40157E-02 -0.76120E-03 5527 0.184E-01 0.245E-01 RMM: 4 -0.376347504620E+03 -0.73008E-03 -0.13166E-03 4694 0.867E-02 0.433E-01 RMM: 5 -0.376346261083E+03 0.12435E-02 -0.60968E-04 4592 0.643E-02 0.953E-02 RMM: 6 -0.376346297244E+03 -0.36160E-04 -0.15419E-04 3877 0.311E-02 0.128E-01 RMM: 7 -0.376346245071E+03 0.52172E-04 -0.73082E-05 3599 0.240E-02 0.103E-01 RMM: 8 -0.376346177154E+03 0.67918E-04 -0.37716E-05 3070 0.183E-02 0.288E-02 RMM: 9 -0.376346187093E+03 -0.99396E-05 -0.17294E-05 2519 0.116E-02 3040 T= 6684. E= 0.68226784E+03 F= 0.62697428E+03 E0= 0.65702360E+03 EK= 0.55294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375959502785E+03 0.38667E+00 -0.17206E-01 8340 0.231E+01 0.311E-01 RMM: 2 -0.375971223112E+03 -0.11720E-01 -0.97945E-02 5259 0.695E-01 0.838E-01 RMM: 3 -0.375966233847E+03 0.49893E-02 -0.81588E-03 5512 0.192E-01 0.236E-01 RMM: 4 -0.375966923772E+03 -0.68992E-03 -0.14581E-03 4716 0.908E-02 0.413E-01 RMM: 5 -0.375965871633E+03 0.10521E-02 -0.51214E-04 4514 0.583E-02 0.132E-01 RMM: 6 -0.375965765638E+03 0.10600E-03 -0.11567E-04 3848 0.281E-02 0.488E-02 RMM: 7 -0.375965798784E+03 -0.33146E-04 -0.38853E-05 3037 0.175E-02 0.925E-02 RMM: 8 -0.375965743984E+03 0.54800E-04 -0.28306E-05 2725 0.173E-02 0.227E-02 RMM: 9 -0.375965747287E+03 -0.33030E-05 -0.10389E-05 2464 0.888E-03 3041 T= 6238. E= 0.67868540E+03 F= 0.62708301E+03 E0= 0.65710571E+03 EK= 0.51602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375626872266E+03 0.33887E+00 -0.15748E-01 8436 0.224E+01 0.340E-01 RMM: 2 -0.375636092326E+03 -0.92201E-02 -0.81636E-02 5300 0.641E-01 0.780E-01 RMM: 3 -0.375632070870E+03 0.40215E-02 -0.68787E-03 5445 0.178E-01 0.265E-01 RMM: 4 -0.375632899951E+03 -0.82908E-03 -0.14744E-03 4662 0.932E-02 0.458E-01 RMM: 5 -0.375631541132E+03 0.13588E-02 -0.63795E-04 4606 0.653E-02 0.110E-01 RMM: 6 -0.375631497610E+03 0.43523E-04 -0.11771E-04 3846 0.270E-02 0.852E-02 RMM: 7 -0.375631502311E+03 -0.47016E-05 -0.62479E-05 3471 0.217E-02 3042 T= 5897. E= 0.67591353E+03 F= 0.62713199E+03 E0= 0.65713130E+03 EK= 0.48782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375399433025E+03 0.23206E+00 -0.14500E-01 8220 0.221E+01 0.329E-01 RMM: 2 -0.375407773075E+03 -0.83401E-02 -0.69282E-02 5225 0.593E-01 0.794E-01 RMM: 3 -0.375403695340E+03 0.40777E-02 -0.64043E-03 5405 0.174E-01 0.259E-01 RMM: 4 -0.375404541934E+03 -0.84659E-03 -0.15080E-03 4653 0.934E-02 0.458E-01 RMM: 5 -0.375403199813E+03 0.13421E-02 -0.65034E-04 4584 0.660E-02 0.108E-01 RMM: 6 -0.375403180425E+03 0.19388E-04 -0.13441E-04 3879 0.294E-02 3043 T= 5758. E= 0.67470188E+03 F= 0.62706387E+03 E0= 0.65704368E+03 EK= 0.47638E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375281955002E+03 0.12124E+00 -0.14599E-01 8436 0.221E+01 0.409E-01 RMM: 2 -0.375309696219E+03 -0.27741E-01 -0.75240E-02 5126 0.622E-01 0.188E+00 RMM: 3 -0.375286265528E+03 0.23431E-01 -0.12944E-02 5328 0.280E-01 0.356E-01 RMM: 4 -0.375285845851E+03 0.41968E-03 -0.21441E-03 4890 0.101E-01 0.278E-01 RMM: 5 -0.375285722675E+03 0.12318E-03 -0.70641E-04 4608 0.692E-02 0.264E-01 RMM: 6 -0.375285303415E+03 0.41926E-03 -0.29583E-04 3900 0.456E-02 0.896E-02 RMM: 7 -0.375285355649E+03 -0.52234E-04 -0.12532E-04 3861 0.301E-02 0.129E-01 RMM: 8 -0.375285249491E+03 0.10616E-03 -0.60245E-05 3454 0.237E-02 0.468E-02 RMM: 9 -0.375285239784E+03 0.97067E-05 -0.12815E-05 2511 0.107E-02 3044 T= 5853. E= 0.67529935E+03 F= 0.62687900E+03 E0= 0.65684172E+03 EK= 0.48420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375220473016E+03 0.64776E-01 -0.15514E-01 9024 0.226E+01 0.406E-01 RMM: 2 -0.375253970514E+03 -0.33497E-01 -0.80654E-02 5149 0.653E-01 0.208E+00 RMM: 3 -0.375225483864E+03 0.28487E-01 -0.14638E-02 5329 0.299E-01 0.399E-01 RMM: 4 -0.375224500745E+03 0.98312E-03 -0.20660E-03 4815 0.987E-02 0.185E-01 RMM: 5 -0.375224656467E+03 -0.15572E-03 -0.66024E-04 4593 0.689E-02 0.264E-01 RMM: 6 -0.375224227987E+03 0.42848E-03 -0.26631E-04 3887 0.443E-02 0.732E-02 RMM: 7 -0.375224302763E+03 -0.74776E-04 -0.13035E-04 3879 0.308E-02 0.133E-01 RMM: 8 -0.375224193287E+03 0.10948E-03 -0.56348E-05 3414 0.229E-02 0.400E-02 RMM: 9 -0.375224184593E+03 0.86937E-05 -0.86113E-06 2479 0.868E-03 3045 T= 6152. E= 0.67753379E+03 F= 0.62663627E+03 E0= 0.65658620E+03 EK= 0.50898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375109746987E+03 0.11445E+00 -0.18000E-01 8952 0.234E+01 0.321E-01 RMM: 2 -0.375132155409E+03 -0.22408E-01 -0.10503E-01 5162 0.720E-01 0.149E+00 RMM: 3 -0.375117491309E+03 0.14664E-01 -0.11530E-02 5388 0.241E-01 0.300E-01 RMM: 4 -0.375117009651E+03 0.48166E-03 -0.14441E-03 4671 0.820E-02 0.191E-01 RMM: 5 -0.375116912436E+03 0.97215E-04 -0.78653E-04 4608 0.796E-02 0.195E-01 RMM: 6 -0.375116771896E+03 0.14054E-03 -0.31043E-04 3941 0.455E-02 0.136E-01 RMM: 7 -0.375116784289E+03 -0.12393E-04 -0.20002E-04 3888 0.417E-02 0.149E-01 RMM: 8 -0.375116647339E+03 0.13695E-03 -0.82323E-05 3568 0.266E-02 0.458E-02 RMM: 9 -0.375116644157E+03 0.31819E-05 -0.15882E-05 2521 0.117E-02 3046 T= 6567. E= 0.68077200E+03 F= 0.62644307E+03 E0= 0.65638320E+03 EK= 0.54329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374822247790E+03 0.29440E+00 -0.19854E-01 9144 0.242E+01 0.257E-01 RMM: 2 -0.374837903731E+03 -0.15656E-01 -0.11214E-01 5382 0.718E-01 0.100E+00 RMM: 3 -0.374830830419E+03 0.70733E-02 -0.94518E-03 5554 0.200E-01 0.215E-01 RMM: 4 -0.374830576172E+03 0.25425E-03 -0.87065E-04 4687 0.647E-02 0.178E-01 RMM: 5 -0.374830370343E+03 0.20583E-03 -0.47570E-04 4570 0.620E-02 0.131E-01 RMM: 6 -0.374830456070E+03 -0.85728E-04 -0.29786E-04 3907 0.448E-02 0.176E-01 RMM: 7 -0.374830356466E+03 0.99604E-04 -0.13290E-04 3888 0.344E-02 0.131E-01 RMM: 8 -0.374830247704E+03 0.10876E-03 -0.49929E-05 3302 0.200E-02 0.399E-02 RMM: 9 -0.374830246601E+03 0.11037E-05 -0.23869E-05 2536 0.142E-02 3047 T= 6947. E= 0.68390006E+03 F= 0.62643293E+03 E0= 0.65636675E+03 EK= 0.57467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374232965921E+03 0.59728E+00 -0.21882E-01 9192 0.248E+01 0.248E-01 RMM: 2 -0.374249596284E+03 -0.16630E-01 -0.13161E-01 5366 0.765E-01 0.915E-01 RMM: 3 -0.374243401549E+03 0.61947E-02 -0.10269E-02 5769 0.194E-01 0.228E-01 RMM: 4 -0.374243044394E+03 0.35716E-03 -0.85351E-04 4669 0.673E-02 0.184E-01 RMM: 5 -0.374242809953E+03 0.23444E-03 -0.55858E-04 4608 0.674E-02 0.129E-01 RMM: 6 -0.374242986734E+03 -0.17678E-03 -0.30668E-04 3899 0.440E-02 0.213E-01 RMM: 7 -0.374242779514E+03 0.20722E-03 -0.16549E-04 3888 0.382E-02 0.121E-01 RMM: 8 -0.374242688169E+03 0.91345E-04 -0.53468E-05 3319 0.206E-02 0.426E-02 RMM: 9 -0.374242688552E+03 -0.38311E-06 -0.27047E-05 2560 0.150E-02 3048 T= 7124. E= 0.68565695E+03 F= 0.62672613E+03 E0= 0.65665576E+03 EK= 0.58931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373279301985E+03 0.96339E+00 -0.22334E-01 9192 0.248E+01 0.259E-01 RMM: 2 -0.373293870988E+03 -0.14569E-01 -0.13120E-01 5424 0.724E-01 0.738E-01 RMM: 3 -0.373289093896E+03 0.47771E-02 -0.88557E-03 5801 0.183E-01 0.197E-01 RMM: 4 -0.373289121878E+03 -0.27982E-04 -0.96514E-04 4663 0.741E-02 0.270E-01 RMM: 5 -0.373288676105E+03 0.44577E-03 -0.53414E-04 4579 0.628E-02 0.134E-01 RMM: 6 -0.373288739038E+03 -0.62933E-04 -0.30936E-04 3899 0.451E-02 0.167E-01 RMM: 7 -0.373288623381E+03 0.11566E-03 -0.13922E-04 3883 0.364E-02 0.110E-01 RMM: 8 -0.373288548644E+03 0.74737E-04 -0.32975E-05 3004 0.169E-02 0.382E-02 RMM: 9 -0.373288549716E+03 -0.10716E-05 -0.20217E-05 2517 0.128E-02 3049 T= 7009. E= 0.68536418E+03 F= 0.62738379E+03 E0= 0.65731208E+03 EK= 0.57980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371978654325E+03 0.13099E+01 -0.22514E-01 9120 0.244E+01 0.293E-01 RMM: 2 -0.371993464305E+03 -0.14810E-01 -0.12727E-01 5604 0.680E-01 0.824E-01 RMM: 3 -0.371987482021E+03 0.59823E-02 -0.68574E-03 5548 0.172E-01 0.213E-01 RMM: 4 -0.371987989685E+03 -0.50766E-03 -0.14145E-03 4636 0.915E-02 0.372E-01 RMM: 5 -0.371987149031E+03 0.84065E-03 -0.58350E-04 4567 0.629E-02 0.138E-01 RMM: 6 -0.371987098074E+03 0.50958E-04 -0.17448E-04 3884 0.333E-02 0.112E-01 RMM: 7 -0.371987100118E+03 -0.20445E-05 -0.10226E-04 3828 0.288E-02 3050 T= 6655. E= 0.68343360E+03 F= 0.62838189E+03 E0= 0.65831186E+03 EK= 0.55052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370422263694E+03 0.15648E+01 -0.22083E-01 8784 0.236E+01 0.370E-01 RMM: 2 -0.370434919931E+03 -0.12656E-01 -0.12808E-01 5607 0.694E-01 0.690E-01 RMM: 3 -0.370430830347E+03 0.40896E-02 -0.71695E-03 5403 0.184E-01 0.342E-01 RMM: 4 -0.370431626594E+03 -0.79625E-03 -0.18663E-03 4749 0.105E-01 0.506E-01 RMM: 5 -0.370429953782E+03 0.16728E-02 -0.90198E-04 4605 0.774E-02 0.110E-01 RMM: 6 -0.370429998078E+03 -0.44296E-04 -0.20388E-04 3890 0.358E-02 0.145E-01 RMM: 7 -0.370429950088E+03 0.47990E-04 -0.10805E-04 3858 0.284E-02 0.125E-01 RMM: 8 -0.370429850954E+03 0.99134E-04 -0.47527E-05 3256 0.197E-02 0.312E-02 RMM: 9 -0.370429855668E+03 -0.47140E-05 -0.18651E-05 2530 0.121E-02 3051 T= 6218. E= 0.68106228E+03 F= 0.62962572E+03 E0= 0.65956128E+03 EK= 0.51437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368732670179E+03 0.16972E+01 -0.21283E-01 8808 0.228E+01 0.338E-01 RMM: 2 -0.368747230733E+03 -0.14561E-01 -0.13098E-01 5517 0.724E-01 0.822E-01 RMM: 3 -0.368741767108E+03 0.54636E-02 -0.80871E-03 5454 0.193E-01 0.274E-01 RMM: 4 -0.368742452980E+03 -0.68587E-03 -0.15624E-03 4699 0.942E-02 0.438E-01 RMM: 5 -0.368741224280E+03 0.12287E-02 -0.60499E-04 4566 0.630E-02 0.106E-01 RMM: 6 -0.368741175624E+03 0.48656E-04 -0.10817E-04 3812 0.263E-02 0.689E-02 RMM: 7 -0.368741204075E+03 -0.28452E-04 -0.56824E-05 3353 0.197E-02 0.102E-01 RMM: 8 -0.368741138364E+03 0.65711E-04 -0.40048E-05 3054 0.194E-02 0.243E-02 RMM: 9 -0.368741143485E+03 -0.51204E-05 -0.13216E-05 2479 0.100E-02 3052 T= 5862. E= 0.67948225E+03 F= 0.63099086E+03 E0= 0.66093553E+03 EK= 0.48491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367032588730E+03 0.17085E+01 -0.19747E-01 8700 0.222E+01 0.382E-01 RMM: 2 -0.367044704766E+03 -0.12116E-01 -0.12074E-01 5548 0.700E-01 0.732E-01 RMM: 3 -0.367040581798E+03 0.41230E-02 -0.74654E-03 5388 0.187E-01 0.356E-01 RMM: 4 -0.367041206667E+03 -0.62487E-03 -0.18735E-03 4743 0.104E-01 0.489E-01 RMM: 5 -0.367039665587E+03 0.15411E-02 -0.82783E-04 4589 0.737E-02 0.115E-01 RMM: 6 -0.367039630684E+03 0.34903E-04 -0.15686E-04 3887 0.313E-02 0.101E-01 RMM: 7 -0.367039644569E+03 -0.13885E-04 -0.83967E-05 3707 0.245E-02 3053 T= 5698. E= 0.67949940E+03 F= 0.63236212E+03 E0= 0.66231978E+03 EK= 0.47137E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365407571437E+03 0.16321E+01 -0.17975E-01 8724 0.221E+01 0.362E-01 RMM: 2 -0.365420139671E+03 -0.12568E-01 -0.10815E-01 5401 0.673E-01 0.865E-01 RMM: 3 -0.365414670844E+03 0.54688E-02 -0.79412E-03 5398 0.195E-01 0.312E-01 RMM: 4 -0.365415538781E+03 -0.86794E-03 -0.19965E-03 4824 0.107E-01 0.488E-01 RMM: 5 -0.365414036642E+03 0.15021E-02 -0.80579E-04 4595 0.735E-02 0.137E-01 RMM: 6 -0.365413951829E+03 0.84813E-04 -0.14037E-04 3879 0.301E-02 0.868E-02 RMM: 7 -0.365413996535E+03 -0.44706E-04 -0.10615E-04 3843 0.264E-02 0.127E-01 RMM: 8 -0.365413888791E+03 0.10774E-03 -0.64567E-05 3467 0.236E-02 0.344E-02 RMM: 9 -0.365413888070E+03 0.72121E-06 -0.14870E-05 2514 0.111E-02 3054 T= 5778. E= 0.68145275E+03 F= 0.63365707E+03 E0= 0.66363143E+03 EK= 0.47796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363911143866E+03 0.15027E+01 -0.16896E-01 8664 0.224E+01 0.311E-01 RMM: 2 -0.363924981552E+03 -0.13838E-01 -0.10391E-01 5358 0.658E-01 0.952E-01 RMM: 3 -0.363918166941E+03 0.68146E-02 -0.75077E-03 5409 0.186E-01 0.220E-01 RMM: 4 -0.363918942827E+03 -0.77589E-03 -0.15853E-03 4705 0.955E-02 0.426E-01 RMM: 5 -0.363917787045E+03 0.11558E-02 -0.61056E-04 4542 0.641E-02 0.108E-01 RMM: 6 -0.363917756241E+03 0.30804E-04 -0.14620E-04 3878 0.313E-02 0.902E-02 RMM: 7 -0.363917783279E+03 -0.27038E-04 -0.64789E-05 3491 0.224E-02 0.116E-01 RMM: 8 -0.363917696190E+03 0.87089E-04 -0.37759E-05 3066 0.189E-02 0.251E-02 RMM: 9 -0.363917695501E+03 0.68863E-06 -0.98971E-06 2464 0.874E-03 3055 T= 6097. E= 0.68526557E+03 F= 0.63482851E+03 E0= 0.66482328E+03 EK= 0.50437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362567142256E+03 0.13506E+01 -0.17038E-01 8640 0.232E+01 0.304E-01 RMM: 2 -0.362581723342E+03 -0.14581E-01 -0.10005E-01 5407 0.669E-01 0.104E+00 RMM: 3 -0.362574013995E+03 0.77093E-02 -0.77970E-03 5491 0.189E-01 0.236E-01 RMM: 4 -0.362574222932E+03 -0.20894E-03 -0.14633E-03 4675 0.918E-02 0.317E-01 RMM: 5 -0.362573634502E+03 0.58843E-03 -0.56592E-04 4569 0.627E-02 0.152E-01 RMM: 6 -0.362573545319E+03 0.89184E-04 -0.16626E-04 3884 0.334E-02 0.104E-01 RMM: 7 -0.362573556044E+03 -0.10725E-04 -0.10424E-04 3822 0.292E-02 3056 T= 6587. E= 0.69035105E+03 F= 0.63585863E+03 E0= 0.66587719E+03 EK= 0.54492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361376816440E+03 0.11967E+01 -0.18225E-01 8712 0.240E+01 0.293E-01 RMM: 2 -0.361389284656E+03 -0.12468E-01 -0.10743E-01 5432 0.703E-01 0.789E-01 RMM: 3 -0.361384670344E+03 0.46143E-02 -0.76789E-03 5600 0.179E-01 0.237E-01 RMM: 4 -0.361384842382E+03 -0.17204E-03 -0.12320E-03 4652 0.858E-02 0.326E-01 RMM: 5 -0.361384176689E+03 0.66569E-03 -0.76693E-04 4600 0.751E-02 0.141E-01 RMM: 6 -0.361384265547E+03 -0.88858E-04 -0.32280E-04 3912 0.453E-02 0.188E-01 RMM: 7 -0.361384117884E+03 0.14766E-03 -0.16262E-04 3882 0.392E-02 0.118E-01 RMM: 8 -0.361384031251E+03 0.86633E-04 -0.50488E-05 3289 0.206E-02 0.427E-02 RMM: 9 -0.361384037456E+03 -0.62045E-05 -0.23740E-05 2627 0.138E-02 3057 T= 7096. E= 0.69544571E+03 F= 0.63674588E+03 E0= 0.66678966E+03 EK= 0.58700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360337626551E+03 0.10464E+01 -0.19052E-01 8436 0.246E+01 0.265E-01 RMM: 2 -0.360355522419E+03 -0.17896E-01 -0.11907E-01 5342 0.759E-01 0.113E+00 RMM: 3 -0.360346789330E+03 0.87331E-02 -0.10094E-02 5620 0.207E-01 0.211E-01 RMM: 4 -0.360346647112E+03 0.14222E-03 -0.10689E-03 4647 0.749E-02 0.212E-01 RMM: 5 -0.360346393891E+03 0.25322E-03 -0.45846E-04 4567 0.591E-02 0.130E-01 RMM: 6 -0.360346366097E+03 0.27793E-04 -0.21105E-04 3888 0.379E-02 0.116E-01 RMM: 7 -0.360346379616E+03 -0.13519E-04 -0.94025E-05 3713 0.273E-02 3058 T= 7412. E= 0.69880979E+03 F= 0.63748991E+03 E0= 0.66756155E+03 EK= 0.61320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359455994939E+03 0.89037E+00 -0.19869E-01 8436 0.248E+01 0.314E-01 RMM: 2 -0.359469949734E+03 -0.13955E-01 -0.12385E-01 5377 0.766E-01 0.805E-01 RMM: 3 -0.359465090664E+03 0.48591E-02 -0.92229E-03 5575 0.199E-01 0.258E-01 RMM: 4 -0.359465350640E+03 -0.25998E-03 -0.13832E-03 4714 0.909E-02 0.361E-01 RMM: 5 -0.359464491534E+03 0.85911E-03 -0.87627E-04 4608 0.801E-02 0.139E-01 RMM: 6 -0.359464642478E+03 -0.15094E-03 -0.38929E-04 4083 0.490E-02 0.212E-01 RMM: 7 -0.359464390062E+03 0.25242E-03 -0.19406E-04 3888 0.423E-02 0.867E-02 RMM: 8 -0.359464349241E+03 0.40821E-04 -0.36443E-05 3067 0.179E-02 0.456E-02 RMM: 9 -0.359464357363E+03 -0.81220E-05 -0.28165E-05 2574 0.152E-02 3059 T= 7380. E= 0.69913431E+03 F= 0.63808079E+03 E0= 0.66817999E+03 EK= 0.61054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358742735766E+03 0.72161E+00 -0.19941E-01 8340 0.243E+01 0.258E-01 RMM: 2 -0.358757975240E+03 -0.15239E-01 -0.12906E-01 5102 0.773E-01 0.811E-01 RMM: 3 -0.358752534562E+03 0.54407E-02 -0.10669E-02 5645 0.215E-01 0.207E-01 RMM: 4 -0.358752633219E+03 -0.98657E-04 -0.11706E-03 4772 0.814E-02 0.278E-01 RMM: 5 -0.358752205366E+03 0.42785E-03 -0.44521E-04 4530 0.567E-02 0.146E-01 RMM: 6 -0.358752113262E+03 0.92104E-04 -0.18831E-04 3881 0.360E-02 0.910E-02 RMM: 7 -0.358752141802E+03 -0.28540E-04 -0.79005E-05 3604 0.254E-02 0.118E-01 RMM: 8 -0.358752052515E+03 0.89288E-04 -0.36176E-05 3079 0.186E-02 0.271E-02 RMM: 9 -0.358752051121E+03 0.13938E-05 -0.90857E-06 2464 0.825E-03 3060 T= 7014. E= 0.69652498E+03 F= 0.63849717E+03 E0= 0.66862346E+03 EK= 0.58028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358215615228E+03 0.53644E+00 -0.19534E-01 8400 0.235E+01 0.323E-01 RMM: 2 -0.358228371783E+03 -0.12757E-01 -0.12619E-01 5301 0.741E-01 0.649E-01 RMM: 3 -0.358224373610E+03 0.39982E-02 -0.90688E-03 5470 0.204E-01 0.274E-01 RMM: 4 -0.358225016735E+03 -0.64312E-03 -0.16392E-03 4971 0.994E-02 0.443E-01 RMM: 5 -0.358223759214E+03 0.12575E-02 -0.75579E-04 4603 0.731E-02 0.123E-01 RMM: 6 -0.358223762760E+03 -0.35463E-05 -0.23793E-04 3903 0.390E-02 0.131E-01 RMM: 7 -0.358223701687E+03 0.61073E-04 -0.10033E-04 3848 0.299E-02 0.990E-02 RMM: 8 -0.358223638909E+03 0.62779E-04 -0.27313E-05 2851 0.159E-02 0.317E-02 RMM: 9 -0.358223642060E+03 -0.31511E-05 -0.14657E-05 2491 0.105E-02 3061 T= 6490. E= 0.69241184E+03 F= 0.63871873E+03 E0= 0.66886980E+03 EK= 0.53693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357879445032E+03 0.34419E+00 -0.18373E-01 8568 0.226E+01 0.321E-01 RMM: 2 -0.357893004783E+03 -0.13560E-01 -0.12095E-01 5148 0.735E-01 0.781E-01 RMM: 3 -0.357887759464E+03 0.52453E-02 -0.95956E-03 5455 0.214E-01 0.257E-01 RMM: 4 -0.357888410750E+03 -0.65129E-03 -0.15975E-03 4932 0.966E-02 0.421E-01 RMM: 5 -0.357887311495E+03 0.10993E-02 -0.62799E-04 4579 0.658E-02 0.150E-01 RMM: 6 -0.357887204201E+03 0.10729E-03 -0.18791E-04 3884 0.354E-02 0.879E-02 RMM: 7 -0.357887253671E+03 -0.49470E-04 -0.90624E-05 3714 0.261E-02 0.129E-01 RMM: 8 -0.357887144882E+03 0.10879E-03 -0.47267E-05 3246 0.209E-02 0.306E-02 RMM: 9 -0.357887143605E+03 0.12773E-05 -0.12356E-05 2487 0.974E-03 3062 T= 6016. E= 0.68850029E+03 F= 0.63873445E+03 E0= 0.66890700E+03 EK= 0.49766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357732112598E+03 0.15503E+00 -0.17602E-01 8844 0.220E+01 0.341E-01 RMM: 2 -0.357745238475E+03 -0.13126E-01 -0.11196E-01 5296 0.698E-01 0.856E-01 RMM: 3 -0.357739446567E+03 0.57919E-02 -0.82369E-03 5446 0.198E-01 0.257E-01 RMM: 4 -0.357740267937E+03 -0.82137E-03 -0.17741E-03 4870 0.102E-01 0.453E-01 RMM: 5 -0.357738968135E+03 0.12998E-02 -0.76878E-04 4609 0.739E-02 0.147E-01 RMM: 6 -0.357738880078E+03 0.88057E-04 -0.21603E-04 3900 0.375E-02 0.999E-02 RMM: 7 -0.357738889626E+03 -0.95477E-05 -0.88501E-05 3739 0.271E-02 3063 T= 5732. E= 0.68596448E+03 F= 0.63854908E+03 E0= 0.66873854E+03 EK= 0.47415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357752532219E+03 -0.13652E-01 -0.17490E-01 8964 0.218E+01 0.364E-01 RMM: 2 -0.357766319120E+03 -0.13787E-01 -0.10768E-01 5364 0.682E-01 0.967E-01 RMM: 3 -0.357759462959E+03 0.68562E-02 -0.87545E-03 5416 0.205E-01 0.301E-01 RMM: 4 -0.357760202396E+03 -0.73944E-03 -0.19917E-03 4860 0.108E-01 0.463E-01 RMM: 5 -0.357758832423E+03 0.13700E-02 -0.85703E-04 4608 0.762E-02 0.152E-01 RMM: 6 -0.357758789248E+03 0.43176E-04 -0.26368E-04 3896 0.412E-02 0.135E-01 RMM: 7 -0.357758750157E+03 0.39091E-04 -0.11433E-04 3885 0.314E-02 0.119E-01 RMM: 8 -0.357758660749E+03 0.89408E-04 -0.41580E-05 3170 0.190E-02 0.380E-02 RMM: 9 -0.357758665813E+03 -0.50643E-05 -0.19478E-05 2552 0.122E-02 3064 T= 5699. E= 0.68532962E+03 F= 0.63818759E+03 E0= 0.66838922E+03 EK= 0.47142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357895593453E+03 -0.13693E+00 -0.18388E-01 9096 0.221E+01 0.280E-01 RMM: 2 -0.357909510435E+03 -0.13917E-01 -0.11036E-01 5401 0.664E-01 0.876E-01 RMM: 3 -0.357903231473E+03 0.62790E-02 -0.77795E-03 5429 0.188E-01 0.213E-01 RMM: 4 -0.357903660899E+03 -0.42943E-03 -0.13741E-03 4667 0.872E-02 0.350E-01 RMM: 5 -0.357902927557E+03 0.73334E-03 -0.57743E-04 4582 0.645E-02 0.145E-01 RMM: 6 -0.357902837152E+03 0.90405E-04 -0.22000E-04 3896 0.382E-02 0.914E-02 RMM: 7 -0.357902853132E+03 -0.15980E-04 -0.75753E-05 3632 0.262E-02 3065 T= 5915. E= 0.68663519E+03 F= 0.63770025E+03 E0= 0.66790785E+03 EK= 0.48935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358091610386E+03 -0.18877E+00 -0.19642E-01 9120 0.228E+01 0.329E-01 RMM: 2 -0.358104931620E+03 -0.13321E-01 -0.11781E-01 5445 0.696E-01 0.813E-01 RMM: 3 -0.358099590151E+03 0.53415E-02 -0.81993E-03 5666 0.184E-01 0.259E-01 RMM: 4 -0.358100061805E+03 -0.47165E-03 -0.16155E-03 4689 0.993E-02 0.406E-01 RMM: 5 -0.358099016444E+03 0.10454E-02 -0.93014E-04 4606 0.816E-02 0.149E-01 RMM: 6 -0.358099056252E+03 -0.39807E-04 -0.30423E-04 3903 0.443E-02 0.173E-01 RMM: 7 -0.358098938938E+03 0.11731E-03 -0.16589E-04 3884 0.395E-02 0.119E-01 RMM: 8 -0.358098851723E+03 0.87215E-04 -0.48357E-05 3271 0.206E-02 0.417E-02 RMM: 9 -0.358098857540E+03 -0.58164E-05 -0.23263E-05 2611 0.137E-02 3066 T= 6324. E= 0.68947853E+03 F= 0.63716567E+03 E0= 0.66737473E+03 EK= 0.52313E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358235492354E+03 -0.13664E+00 -0.21629E-01 9084 0.237E+01 0.241E-01 RMM: 2 -0.358250530493E+03 -0.15038E-01 -0.12943E-01 5359 0.737E-01 0.771E-01 RMM: 3 -0.358245385184E+03 0.51453E-02 -0.90132E-03 5810 0.186E-01 0.204E-01 RMM: 4 -0.358245242173E+03 0.14301E-03 -0.10212E-03 4664 0.758E-02 0.217E-01 RMM: 5 -0.358244980317E+03 0.26186E-03 -0.50096E-04 4591 0.618E-02 0.138E-01 RMM: 6 -0.358244955449E+03 0.24868E-04 -0.21472E-04 3890 0.381E-02 0.124E-01 RMM: 7 -0.358244945905E+03 0.95432E-05 -0.92332E-05 3810 0.285E-02 3067 T= 6796. E= 0.69291321E+03 F= 0.63668867E+03 E0= 0.66689206E+03 EK= 0.56225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358220748532E+03 0.24207E-01 -0.23013E-01 9060 0.245E+01 0.323E-01 RMM: 2 -0.358235263175E+03 -0.14515E-01 -0.13122E-01 5517 0.749E-01 0.803E-01 RMM: 3 -0.358230031637E+03 0.52315E-02 -0.89721E-03 5762 0.192E-01 0.264E-01 RMM: 4 -0.358230282967E+03 -0.25133E-03 -0.14888E-03 4684 0.952E-02 0.370E-01 RMM: 5 -0.358229430748E+03 0.85222E-03 -0.10290E-03 4608 0.871E-02 0.153E-01 RMM: 6 -0.358229504140E+03 -0.73392E-04 -0.31996E-04 3906 0.454E-02 0.190E-01 RMM: 7 -0.358229340715E+03 0.16342E-03 -0.20807E-04 3884 0.442E-02 0.120E-01 RMM: 8 -0.358229252908E+03 0.87807E-04 -0.67214E-05 3469 0.239E-02 0.432E-02 RMM: 9 -0.358229261534E+03 -0.86266E-05 -0.27442E-05 2643 0.151E-02 3068 T= 7149. E= 0.69552110E+03 F= 0.63638022E+03 E0= 0.66657238E+03 EK= 0.59141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357963043577E+03 0.26621E+00 -0.23506E-01 9096 0.250E+01 0.259E-01 RMM: 2 -0.357980098194E+03 -0.17055E-01 -0.13344E-01 5427 0.757E-01 0.933E-01 RMM: 3 -0.357973028764E+03 0.70694E-02 -0.91584E-03 5710 0.195E-01 0.202E-01 RMM: 4 -0.357973038817E+03 -0.10053E-04 -0.11263E-03 4650 0.788E-02 0.251E-01 RMM: 5 -0.357972665470E+03 0.37335E-03 -0.46059E-04 4556 0.578E-02 0.131E-01 RMM: 6 -0.357972645362E+03 0.20108E-04 -0.19625E-04 3888 0.364E-02 0.119E-01 RMM: 7 -0.357972637489E+03 0.78734E-05 -0.91444E-05 3754 0.275E-02 3069 T= 7217. E= 0.69602054E+03 F= 0.63631508E+03 E0= 0.66648869E+03 EK= 0.59705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357464583031E+03 0.50806E+00 -0.22779E-01 9060 0.248E+01 0.378E-01 RMM: 2 -0.357478286344E+03 -0.13703E-01 -0.12647E-01 5598 0.741E-01 0.844E-01 RMM: 3 -0.357472932554E+03 0.53538E-02 -0.83609E-03 5523 0.193E-01 0.315E-01 RMM: 4 -0.357473813680E+03 -0.88113E-03 -0.20075E-03 4765 0.110E-01 0.500E-01 RMM: 5 -0.357472109932E+03 0.17037E-02 -0.99654E-04 4608 0.820E-02 0.106E-01 RMM: 6 -0.357472267712E+03 -0.15778E-03 -0.31616E-04 3905 0.450E-02 0.193E-01 RMM: 7 -0.357472092966E+03 0.17475E-03 -0.13319E-04 3882 0.344E-02 0.112E-01 RMM: 8 -0.357472012602E+03 0.80363E-04 -0.44045E-05 3201 0.188E-02 0.349E-02 RMM: 9 -0.357472027145E+03 -0.14542E-04 -0.26294E-05 2677 0.144E-02 3070 T= 6969. E= 0.69414027E+03 F= 0.63649007E+03 E0= 0.66664098E+03 EK= 0.57650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356798803337E+03 0.67321E+00 -0.21370E-01 9084 0.242E+01 0.339E-01 RMM: 2 -0.356815164654E+03 -0.16361E-01 -0.12761E-01 5329 0.773E-01 0.101E+00 RMM: 3 -0.356807653105E+03 0.75115E-02 -0.10923E-02 5589 0.218E-01 0.224E-01 RMM: 4 -0.356808413889E+03 -0.76078E-03 -0.17448E-03 4784 0.990E-02 0.432E-01 RMM: 5 -0.356807275924E+03 0.11380E-02 -0.62264E-04 4605 0.648E-02 0.144E-01 RMM: 6 -0.356807167548E+03 0.10838E-03 -0.15667E-04 3874 0.318E-02 0.739E-02 RMM: 7 -0.356807217919E+03 -0.50371E-04 -0.73127E-05 3531 0.233E-02 0.119E-01 RMM: 8 -0.356807124879E+03 0.93040E-04 -0.42799E-05 3168 0.204E-02 0.274E-02 RMM: 9 -0.356807124231E+03 0.64726E-06 -0.10745E-05 2474 0.907E-03 3071 T= 6528. E= 0.69082598E+03 F= 0.63681976E+03 E0= 0.66694454E+03 EK= 0.54006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356094787880E+03 0.71234E+00 -0.18714E-01 8916 0.235E+01 0.403E-01 RMM: 2 -0.356107562436E+03 -0.12775E-01 -0.10374E-01 5482 0.700E-01 0.987E-01 RMM: 3 -0.356101023399E+03 0.65390E-02 -0.85131E-03 5501 0.196E-01 0.322E-01 RMM: 4 -0.356102309536E+03 -0.12861E-02 -0.23862E-03 4949 0.120E-01 0.552E-01 RMM: 5 -0.356100281213E+03 0.20283E-02 -0.10063E-03 4608 0.834E-02 0.139E-01 RMM: 6 -0.356100202684E+03 0.78530E-04 -0.20415E-04 3889 0.359E-02 0.101E-01 RMM: 7 -0.356100232502E+03 -0.29818E-04 -0.96333E-05 3839 0.268E-02 0.129E-01 RMM: 8 -0.356100124310E+03 0.10819E-03 -0.49245E-05 3264 0.204E-02 0.371E-02 RMM: 9 -0.356100126081E+03 -0.17714E-05 -0.20198E-05 2571 0.126E-02 3072 T= 6086. E= 0.68752350E+03 F= 0.63717891E+03 E0= 0.66727673E+03 EK= 0.50345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355458424579E+03 0.64170E+00 -0.16278E-01 8328 0.228E+01 0.389E-01 RMM: 2 -0.355470123203E+03 -0.11699E-01 -0.84856E-02 5333 0.650E-01 0.103E+00 RMM: 3 -0.355463139508E+03 0.69837E-02 -0.86219E-03 5470 0.202E-01 0.278E-01 RMM: 4 -0.355464361600E+03 -0.12221E-02 -0.21616E-03 4815 0.113E-01 0.520E-01 RMM: 5 -0.355462629723E+03 0.17319E-02 -0.84339E-04 4607 0.755E-02 0.154E-01 RMM: 6 -0.355462512991E+03 0.11673E-03 -0.17843E-04 3889 0.338E-02 0.908E-02 RMM: 7 -0.355462550632E+03 -0.37641E-04 -0.98710E-05 3811 0.267E-02 0.123E-01 RMM: 8 -0.355462448045E+03 0.10259E-03 -0.56959E-05 3372 0.224E-02 0.344E-02 RMM: 9 -0.355462448439E+03 -0.39394E-06 -0.15699E-05 2524 0.113E-02 3073 T= 5793. E= 0.68538121E+03 F= 0.63745698E+03 E0= 0.66752879E+03 EK= 0.47924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354953245698E+03 0.50920E+00 -0.15197E-01 8160 0.225E+01 0.366E-01 RMM: 2 -0.354964667480E+03 -0.11422E-01 -0.62043E-02 5313 0.567E-01 0.114E+00 RMM: 3 -0.354956154114E+03 0.85134E-02 -0.66003E-03 5421 0.182E-01 0.243E-01 RMM: 4 -0.354957477439E+03 -0.13233E-02 -0.20128E-03 4751 0.111E-01 0.517E-01 RMM: 5 -0.354955798552E+03 0.16789E-02 -0.83921E-04 4600 0.773E-02 0.157E-01 RMM: 6 -0.354955667432E+03 0.13112E-03 -0.18267E-04 3884 0.336E-02 0.832E-02 RMM: 7 -0.354955697780E+03 -0.30348E-04 -0.87709E-05 3745 0.264E-02 0.115E-01 RMM: 8 -0.354955610678E+03 0.87101E-04 -0.43177E-05 3198 0.200E-02 0.303E-02 RMM: 9 -0.354955613251E+03 -0.25728E-05 -0.12110E-05 2489 0.977E-03 3074 T= 5729. E= 0.68499149E+03 F= 0.63759709E+03 E0= 0.66764461E+03 EK= 0.47394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354573910744E+03 0.38170E+00 -0.14972E-01 8340 0.227E+01 0.324E-01 RMM: 2 -0.354581119804E+03 -0.72091E-02 -0.56051E-02 5287 0.546E-01 0.815E-01 RMM: 3 -0.354576902279E+03 0.42175E-02 -0.56528E-03 5430 0.164E-01 0.244E-01 RMM: 4 -0.354577629508E+03 -0.72723E-03 -0.16300E-03 4662 0.101E-01 0.428E-01 RMM: 5 -0.354576535343E+03 0.10942E-02 -0.77982E-04 4612 0.753E-02 0.165E-01 RMM: 6 -0.354576405822E+03 0.12952E-03 -0.20072E-04 3897 0.363E-02 0.983E-02 RMM: 7 -0.354576427921E+03 -0.22099E-04 -0.10709E-04 3845 0.305E-02 0.122E-01 RMM: 8 -0.354576330593E+03 0.97328E-04 -0.46444E-05 3249 0.206E-02 0.312E-02 RMM: 9 -0.354576331254E+03 -0.66041E-06 -0.12874E-05 2492 0.103E-02 3075 T= 5906. E= 0.68647102E+03 F= 0.63760929E+03 E0= 0.66763521E+03 EK= 0.48862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354254025732E+03 0.32230E+00 -0.15771E-01 8424 0.233E+01 0.311E-01 RMM: 2 -0.354266974352E+03 -0.12949E-01 -0.70641E-02 5239 0.620E-01 0.113E+00 RMM: 3 -0.354258556734E+03 0.84176E-02 -0.74902E-03 5466 0.187E-01 0.234E-01 RMM: 4 -0.354258823402E+03 -0.26667E-03 -0.14328E-03 4651 0.923E-02 0.339E-01 RMM: 5 -0.354258164695E+03 0.65871E-03 -0.86922E-04 4604 0.822E-02 0.163E-01 RMM: 6 -0.354258104567E+03 0.60128E-04 -0.25277E-04 3885 0.405E-02 0.139E-01 RMM: 7 -0.354258059053E+03 0.45514E-04 -0.14327E-04 3880 0.366E-02 0.120E-01 RMM: 8 -0.354257967049E+03 0.92004E-04 -0.46828E-05 3252 0.205E-02 0.344E-02 RMM: 9 -0.354257969207E+03 -0.21574E-05 -0.12850E-05 2503 0.103E-02 3076 T= 6278. E= 0.68950354E+03 F= 0.63756652E+03 E0= 0.66757253E+03 EK= 0.51937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353878957505E+03 0.37901E+00 -0.16829E-01 8880 0.240E+01 0.288E-01 RMM: 2 -0.353890248353E+03 -0.11291E-01 -0.79940E-02 5337 0.663E-01 0.938E-01 RMM: 3 -0.353884574705E+03 0.56736E-02 -0.77515E-03 5656 0.182E-01 0.242E-01 RMM: 4 -0.353884430070E+03 0.14463E-03 -0.10574E-03 4613 0.786E-02 0.253E-01 RMM: 5 -0.353884077595E+03 0.35247E-03 -0.80234E-04 4608 0.803E-02 0.167E-01 RMM: 6 -0.353884081870E+03 -0.42747E-05 -0.33377E-04 3971 0.471E-02 0.171E-01 RMM: 7 -0.353884009402E+03 0.72468E-04 -0.16221E-04 3879 0.388E-02 0.141E-01 RMM: 8 -0.353883881884E+03 0.12752E-03 -0.60134E-05 3414 0.225E-02 0.385E-02 RMM: 9 -0.353883881650E+03 0.23329E-06 -0.16605E-05 2514 0.118E-02 3077 T= 6729. E= 0.69325351E+03 F= 0.63758892E+03 E0= 0.66757672E+03 EK= 0.55665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353309813016E+03 0.57407E+00 -0.18093E-01 8988 0.248E+01 0.282E-01 RMM: 2 -0.353323764395E+03 -0.13951E-01 -0.89036E-02 5359 0.690E-01 0.107E+00 RMM: 3 -0.353316270724E+03 0.74937E-02 -0.83206E-03 5615 0.189E-01 0.231E-01 RMM: 4 -0.353316121529E+03 0.14920E-03 -0.10584E-03 4620 0.791E-02 0.247E-01 RMM: 5 -0.353315755346E+03 0.36618E-03 -0.77958E-04 4602 0.793E-02 0.151E-01 RMM: 6 -0.353315868465E+03 -0.11312E-03 -0.33011E-04 3916 0.459E-02 0.204E-01 RMM: 7 -0.353315693253E+03 0.17521E-03 -0.18486E-04 3888 0.407E-02 0.128E-01 RMM: 8 -0.353315589436E+03 0.10382E-03 -0.61817E-05 3407 0.225E-02 0.418E-02 RMM: 9 -0.353315589248E+03 0.18799E-06 -0.16571E-05 2519 0.116E-02 3078 T= 7083. E= 0.69640776E+03 F= 0.63781449E+03 E0= 0.66778353E+03 EK= 0.58593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352435363025E+03 0.88023E+00 -0.18733E-01 8940 0.252E+01 0.284E-01 RMM: 2 -0.352448350034E+03 -0.12987E-01 -0.89126E-02 5386 0.681E-01 0.996E-01 RMM: 3 -0.352441722069E+03 0.66280E-02 -0.82282E-03 5655 0.186E-01 0.229E-01 RMM: 4 -0.352441637718E+03 0.84351E-04 -0.11106E-03 4619 0.810E-02 0.262E-01 RMM: 5 -0.352441251497E+03 0.38622E-03 -0.78472E-04 4609 0.792E-02 0.161E-01 RMM: 6 -0.352441296875E+03 -0.45378E-04 -0.33645E-04 3983 0.467E-02 0.183E-01 RMM: 7 -0.352441194182E+03 0.10269E-03 -0.17016E-04 3878 0.394E-02 0.140E-01 RMM: 8 -0.352441069388E+03 0.12479E-03 -0.61658E-05 3415 0.228E-02 0.401E-02 RMM: 9 -0.352441069522E+03 -0.13436E-06 -0.16807E-05 2527 0.117E-02 3079 T= 7174. E= 0.69769898E+03 F= 0.63835115E+03 E0= 0.66830054E+03 EK= 0.59348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351215644459E+03 0.12254E+01 -0.18777E-01 8688 0.250E+01 0.309E-01 RMM: 2 -0.351228292264E+03 -0.12648E-01 -0.87940E-02 5293 0.656E-01 0.995E-01 RMM: 3 -0.351221447070E+03 0.68452E-02 -0.81099E-03 5515 0.192E-01 0.231E-01 RMM: 4 -0.351221740156E+03 -0.29309E-03 -0.15271E-03 4714 0.968E-02 0.347E-01 RMM: 5 -0.351221079419E+03 0.66074E-03 -0.80007E-04 4595 0.773E-02 0.177E-01 RMM: 6 -0.351220969472E+03 0.10995E-03 -0.25759E-04 3904 0.412E-02 0.130E-01 RMM: 7 -0.351220962255E+03 0.72175E-05 -0.15377E-04 3884 0.366E-02 3080 T= 6952. E= 0.69674732E+03 F= 0.63923225E+03 E0= 0.66915942E+03 EK= 0.57515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349701379214E+03 0.15196E+01 -0.18152E-01 8076 0.244E+01 0.394E-01 RMM: 2 -0.349714834257E+03 -0.13455E-01 -0.95732E-02 5252 0.682E-01 0.108E+00 RMM: 3 -0.349706790310E+03 0.80439E-02 -0.90980E-03 5483 0.210E-01 0.304E-01 RMM: 4 -0.349707668111E+03 -0.87780E-03 -0.23502E-03 5023 0.118E-01 0.499E-01 RMM: 5 -0.349706172409E+03 0.14957E-02 -0.10521E-03 4607 0.872E-02 0.189E-01 RMM: 6 -0.349706022314E+03 0.15009E-03 -0.27374E-04 3915 0.423E-02 0.127E-01 RMM: 7 -0.349706035972E+03 -0.13657E-04 -0.15257E-04 3880 0.351E-02 3081 T= 6523. E= 0.69436486E+03 F= 0.64040150E+03 E0= 0.67030510E+03 EK= 0.53963E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348006747944E+03 0.16993E+01 -0.16912E-01 7980 0.235E+01 0.402E-01 RMM: 2 -0.348023770655E+03 -0.17023E-01 -0.98331E-02 5316 0.696E-01 0.131E+00 RMM: 3 -0.348012214016E+03 0.11557E-01 -0.10176E-02 5435 0.230E-01 0.313E-01 RMM: 4 -0.348012937839E+03 -0.72382E-03 -0.23869E-03 5054 0.117E-01 0.465E-01 RMM: 5 -0.348011801795E+03 0.11360E-02 -0.81458E-04 4599 0.749E-02 0.242E-01 RMM: 6 -0.348011421615E+03 0.38018E-03 -0.28561E-04 3920 0.445E-02 0.752E-02 RMM: 7 -0.348011511156E+03 -0.89541E-04 -0.11771E-04 3862 0.284E-02 0.144E-01 RMM: 8 -0.348011381087E+03 0.13007E-03 -0.57453E-05 3394 0.225E-02 0.513E-02 RMM: 9 -0.348011368587E+03 0.12500E-04 -0.20114E-05 2587 0.130E-02 3082 T= 6069. E= 0.69194986E+03 F= 0.64174106E+03 E0= 0.67161758E+03 EK= 0.50209E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346270482506E+03 0.17409E+01 -0.16258E-01 8208 0.228E+01 0.391E-01 RMM: 2 -0.346285079913E+03 -0.14597E-01 -0.96989E-02 5347 0.678E-01 0.115E+00 RMM: 3 -0.346275772125E+03 0.93078E-02 -0.89011E-03 5411 0.211E-01 0.268E-01 RMM: 4 -0.346277174394E+03 -0.14023E-02 -0.21640E-03 4923 0.111E-01 0.544E-01 RMM: 5 -0.346275316222E+03 0.18582E-02 -0.82867E-04 4578 0.763E-02 0.148E-01 RMM: 6 -0.346275192533E+03 0.12369E-03 -0.17191E-04 3888 0.330E-02 0.757E-02 RMM: 7 -0.346275227061E+03 -0.34527E-04 -0.78502E-05 3576 0.240E-02 0.111E-01 RMM: 8 -0.346275146523E+03 0.80537E-04 -0.45061E-05 3203 0.204E-02 0.304E-02 RMM: 9 -0.346275148878E+03 -0.23549E-05 -0.13494E-05 2508 0.102E-02 3083 T= 5751. E= 0.69069115E+03 F= 0.64311405E+03 E0= 0.67296310E+03 EK= 0.47577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344619304181E+03 0.16558E+01 -0.15733E-01 8436 0.224E+01 0.424E-01 RMM: 2 -0.344634912528E+03 -0.15608E-01 -0.92088E-02 5346 0.681E-01 0.128E+00 RMM: 3 -0.344624069903E+03 0.10843E-01 -0.99904E-03 5442 0.225E-01 0.311E-01 RMM: 4 -0.344625204395E+03 -0.11345E-02 -0.27395E-03 5198 0.126E-01 0.529E-01 RMM: 5 -0.344623500287E+03 0.17041E-02 -0.98565E-04 4595 0.831E-02 0.195E-01 RMM: 6 -0.344623277179E+03 0.22311E-03 -0.19279E-04 3886 0.357E-02 0.825E-02 RMM: 7 -0.344623333388E+03 -0.56209E-04 -0.11736E-04 3869 0.285E-02 0.131E-01 RMM: 8 -0.344623220828E+03 0.11256E-03 -0.61653E-05 3414 0.230E-02 0.437E-02 RMM: 9 -0.344623216431E+03 0.43977E-05 -0.19503E-05 2563 0.127E-02 3084 T= 5664. E= 0.69125580E+03 F= 0.64439989E+03 E0= 0.67422104E+03 EK= 0.46856E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343151176069E+03 0.14720E+01 -0.15664E-01 8136 0.225E+01 0.393E-01 RMM: 2 -0.343168196704E+03 -0.17021E-01 -0.91134E-02 5301 0.676E-01 0.131E+00 RMM: 3 -0.343156319332E+03 0.11877E-01 -0.97442E-03 5446 0.219E-01 0.270E-01 RMM: 4 -0.343157349286E+03 -0.10300E-02 -0.23481E-03 4959 0.116E-01 0.490E-01 RMM: 5 -0.343155892500E+03 0.14568E-02 -0.80939E-04 4593 0.746E-02 0.183E-01 RMM: 6 -0.343155699644E+03 0.19286E-03 -0.19779E-04 3885 0.360E-02 0.836E-02 RMM: 7 -0.343155761390E+03 -0.61746E-04 -0.10618E-04 3772 0.276E-02 0.133E-01 RMM: 8 -0.343155644418E+03 0.11697E-03 -0.56736E-05 3368 0.225E-02 0.392E-02 RMM: 9 -0.343155641146E+03 0.32718E-05 -0.15634E-05 2532 0.111E-02 3085 T= 5843. E= 0.69384128E+03 F= 0.64550588E+03 E0= 0.67530020E+03 EK= 0.48335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341941213026E+03 0.12144E+01 -0.15779E-01 7920 0.230E+01 0.345E-01 RMM: 2 -0.341954011217E+03 -0.12798E-01 -0.82033E-02 5397 0.635E-01 0.108E+00 RMM: 3 -0.341946097492E+03 0.79137E-02 -0.77374E-03 5415 0.196E-01 0.274E-01 RMM: 4 -0.341946625054E+03 -0.52756E-03 -0.18488E-03 4739 0.105E-01 0.403E-01 RMM: 5 -0.341945738100E+03 0.88695E-03 -0.66018E-04 4567 0.666E-02 0.203E-01 RMM: 6 -0.341945490336E+03 0.24776E-03 -0.21088E-04 3897 0.379E-02 0.824E-02 RMM: 7 -0.341945562325E+03 -0.71988E-04 -0.12458E-04 3871 0.302E-02 0.138E-01 RMM: 8 -0.341945436873E+03 0.12545E-03 -0.61269E-05 3429 0.234E-02 0.368E-02 RMM: 9 -0.341945433079E+03 0.37941E-05 -0.15303E-05 2522 0.112E-02 3086 T= 6265. E= 0.69819824E+03 F= 0.64636578E+03 E0= 0.67613448E+03 EK= 0.51832E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341036932769E+03 0.90850E+00 -0.16285E-01 7848 0.239E+01 0.342E-01 RMM: 2 -0.341054509054E+03 -0.17576E-01 -0.86049E-02 5337 0.680E-01 0.134E+00 RMM: 3 -0.341042505407E+03 0.12004E-01 -0.92938E-03 5489 0.214E-01 0.272E-01 RMM: 4 -0.341042546937E+03 -0.41529E-04 -0.16794E-03 4664 0.960E-02 0.309E-01 RMM: 5 -0.341042062913E+03 0.48402E-03 -0.66352E-04 4606 0.696E-02 0.191E-01 RMM: 6 -0.341041879454E+03 0.18346E-03 -0.22287E-04 3888 0.387E-02 0.103E-01 RMM: 7 -0.341041932206E+03 -0.52752E-04 -0.12943E-04 3858 0.318E-02 0.142E-01 RMM: 8 -0.341041803894E+03 0.12831E-03 -0.61196E-05 3409 0.233E-02 0.385E-02 RMM: 9 -0.341041799013E+03 0.48814E-05 -0.12955E-05 2501 0.103E-02 3087 T= 6832. E= 0.70344994E+03 F= 0.64693385E+03 E0= 0.67667964E+03 EK= 0.56516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340462396550E+03 0.57941E+00 -0.17066E-01 7716 0.248E+01 0.322E-01 RMM: 2 -0.340477329284E+03 -0.14933E-01 -0.89151E-02 5325 0.709E-01 0.116E+00 RMM: 3 -0.340468484772E+03 0.88445E-02 -0.93682E-03 5450 0.215E-01 0.271E-01 RMM: 4 -0.340468366448E+03 0.11832E-03 -0.13856E-03 4655 0.883E-02 0.261E-01 RMM: 5 -0.340468099417E+03 0.26703E-03 -0.63161E-04 4601 0.672E-02 0.214E-01 RMM: 6 -0.340467870265E+03 0.22915E-03 -0.31583E-04 3980 0.468E-02 0.113E-01 RMM: 7 -0.340467961419E+03 -0.91154E-04 -0.15917E-04 3880 0.354E-02 0.166E-01 RMM: 8 -0.340467782166E+03 0.17925E-03 -0.79413E-05 3603 0.264E-02 0.424E-02 RMM: 9 -0.340467775239E+03 0.69267E-05 -0.15917E-05 2530 0.116E-02 3088 T= 7345. E= 0.70794786E+03 F= 0.64718586E+03 E0= 0.67691133E+03 EK= 0.60762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340212812490E+03 0.25497E+00 -0.17970E-01 7716 0.253E+01 0.322E-01 RMM: 2 -0.340232464644E+03 -0.19652E-01 -0.94605E-02 5215 0.744E-01 0.139E+00 RMM: 3 -0.340219565885E+03 0.12899E-01 -0.10235E-02 5410 0.224E-01 0.258E-01 RMM: 4 -0.340219470386E+03 0.95499E-04 -0.15124E-03 4725 0.917E-02 0.261E-01 RMM: 5 -0.340219102617E+03 0.36777E-03 -0.70594E-04 4607 0.733E-02 0.176E-01 RMM: 6 -0.340219016196E+03 0.86421E-04 -0.27010E-04 3891 0.421E-02 0.138E-01 RMM: 7 -0.340218999078E+03 0.17117E-04 -0.13415E-04 3874 0.340E-02 3089 T= 7571. E= 0.70975333E+03 F= 0.64712050E+03 E0= 0.67682918E+03 EK= 0.62633E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340259153877E+03 -0.40138E-01 -0.17902E-01 7572 0.252E+01 0.348E-01 RMM: 2 -0.340274507717E+03 -0.15354E-01 -0.95222E-02 5263 0.747E-01 0.117E+00 RMM: 3 -0.340265663374E+03 0.88443E-02 -0.99170E-03 5457 0.217E-01 0.299E-01 RMM: 4 -0.340265624154E+03 0.39220E-04 -0.17080E-03 4754 0.100E-01 0.320E-01 RMM: 5 -0.340265108395E+03 0.51576E-03 -0.85376E-04 4608 0.784E-02 0.213E-01 RMM: 6 -0.340264936977E+03 0.17142E-03 -0.34560E-04 4013 0.483E-02 0.147E-01 RMM: 7 -0.340264943834E+03 -0.68572E-05 -0.20019E-04 3897 0.407E-02 0.155E-01 RMM: 8 -0.340264788973E+03 0.15486E-03 -0.88811E-05 3602 0.276E-02 0.460E-02 RMM: 9 -0.340264787171E+03 0.18027E-05 -0.20474E-05 2595 0.131E-02 3090 T= 7389. E= 0.70788969E+03 F= 0.64675998E+03 E0= 0.67645637E+03 EK= 0.61130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340552321685E+03 -0.28753E+00 -0.17907E-01 7884 0.246E+01 0.321E-01 RMM: 2 -0.340571525454E+03 -0.19204E-01 -0.10999E-01 5093 0.765E-01 0.128E+00 RMM: 3 -0.340560279287E+03 0.11246E-01 -0.11725E-02 5434 0.236E-01 0.230E-01 RMM: 4 -0.340560632313E+03 -0.35303E-03 -0.16322E-03 4878 0.933E-02 0.346E-01 RMM: 5 -0.340559889494E+03 0.74282E-03 -0.56920E-04 4597 0.631E-02 0.145E-01 RMM: 6 -0.340559817170E+03 0.72325E-04 -0.20569E-04 3892 0.363E-02 0.107E-01 RMM: 7 -0.340559853142E+03 -0.35973E-04 -0.10240E-04 3738 0.280E-02 0.132E-01 RMM: 8 -0.340559739558E+03 0.11358E-03 -0.54178E-05 3341 0.221E-02 0.314E-02 RMM: 9 -0.340559736078E+03 0.34799E-05 -0.91281E-06 2479 0.847E-03 3091 T= 6893. E= 0.70316829E+03 F= 0.64614092E+03 E0= 0.67582852E+03 EK= 0.57027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341048680514E+03 -0.48894E+00 -0.16765E-01 7968 0.236E+01 0.377E-01 RMM: 2 -0.341063802826E+03 -0.15122E-01 -0.94316E-02 5424 0.681E-01 0.117E+00 RMM: 3 -0.341054318735E+03 0.94841E-02 -0.85153E-03 5399 0.206E-01 0.293E-01 RMM: 4 -0.341054891392E+03 -0.57266E-03 -0.23400E-03 5073 0.119E-01 0.433E-01 RMM: 5 -0.341053832471E+03 0.10589E-02 -0.91057E-04 4607 0.808E-02 0.214E-01 RMM: 6 -0.341053580542E+03 0.25193E-03 -0.25839E-04 3922 0.418E-02 0.102E-01 RMM: 7 -0.341053642827E+03 -0.62286E-04 -0.16188E-04 3892 0.346E-02 0.146E-01 RMM: 8 -0.341053509662E+03 0.13317E-03 -0.75396E-05 3523 0.259E-02 0.485E-02 RMM: 9 -0.341053498832E+03 0.10830E-04 -0.14500E-05 2519 0.108E-02 3092 T= 6311. E= 0.69751814E+03 F= 0.64530713E+03 E0= 0.67498880E+03 EK= 0.52211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341697276168E+03 -0.64377E+00 -0.15907E-01 8568 0.227E+01 0.390E-01 RMM: 2 -0.341714173426E+03 -0.16897E-01 -0.95741E-02 5298 0.680E-01 0.128E+00 RMM: 3 -0.341702932938E+03 0.11240E-01 -0.98630E-03 5396 0.223E-01 0.281E-01 RMM: 4 -0.341703960524E+03 -0.10276E-02 -0.22703E-03 5018 0.113E-01 0.501E-01 RMM: 5 -0.341702433122E+03 0.15274E-02 -0.87617E-04 4589 0.784E-02 0.183E-01 RMM: 6 -0.341702279463E+03 0.15366E-03 -0.26548E-04 3900 0.416E-02 0.111E-01 RMM: 7 -0.341702335518E+03 -0.56055E-04 -0.13410E-04 3880 0.320E-02 0.147E-01 RMM: 8 -0.341702197145E+03 0.13837E-03 -0.69694E-05 3492 0.244E-02 0.471E-02 RMM: 9 -0.341702187304E+03 0.98411E-05 -0.15878E-05 2535 0.115E-02 3093 T= 5850. E= 0.69269226E+03 F= 0.64430022E+03 E0= 0.67397926E+03 EK= 0.48392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342462333419E+03 -0.76014E+00 -0.15287E-01 8856 0.221E+01 0.388E-01 RMM: 2 -0.342479036157E+03 -0.16703E-01 -0.88477E-02 5486 0.636E-01 0.131E+00 RMM: 3 -0.342467120488E+03 0.11916E-01 -0.82234E-03 5393 0.206E-01 0.284E-01 RMM: 4 -0.342467892985E+03 -0.77250E-03 -0.23623E-03 5010 0.118E-01 0.462E-01 RMM: 5 -0.342466777732E+03 0.11153E-02 -0.90620E-04 4600 0.805E-02 0.244E-01 RMM: 6 -0.342466419209E+03 0.35852E-03 -0.29463E-04 3926 0.449E-02 0.873E-02 RMM: 7 -0.342466512529E+03 -0.93321E-04 -0.15554E-04 3892 0.338E-02 0.151E-01 RMM: 8 -0.342466360783E+03 0.15175E-03 -0.75795E-05 3548 0.259E-02 0.383E-02 RMM: 9 -0.342466357626E+03 0.31570E-05 -0.12783E-05 2515 0.101E-02 3094 T= 5622. E= 0.68967342E+03 F= 0.64316232E+03 E0= 0.67284087E+03 EK= 0.46511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343292771759E+03 -0.82641E+00 -0.15650E-01 8940 0.221E+01 0.375E-01 RMM: 2 -0.343308843943E+03 -0.16072E-01 -0.94544E-02 5381 0.652E-01 0.121E+00 RMM: 3 -0.343298496926E+03 0.10347E-01 -0.89755E-03 5384 0.212E-01 0.296E-01 RMM: 4 -0.343299044369E+03 -0.54744E-03 -0.21558E-03 4864 0.111E-01 0.432E-01 RMM: 5 -0.343298014731E+03 0.10296E-02 -0.88895E-04 4594 0.799E-02 0.218E-01 RMM: 6 -0.343297764566E+03 0.25017E-03 -0.28398E-04 3913 0.434E-02 0.106E-01 RMM: 7 -0.343297838097E+03 -0.73531E-04 -0.15840E-04 3880 0.349E-02 0.153E-01 RMM: 8 -0.343297686863E+03 0.15123E-03 -0.79381E-05 3592 0.262E-02 0.432E-02 RMM: 9 -0.343297679371E+03 0.74913E-05 -0.14414E-05 2518 0.110E-02 3095 T= 5662. E= 0.68879081E+03 F= 0.64194843E+03 E0= 0.67162972E+03 EK= 0.46842E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344126550091E+03 -0.82886E+00 -0.16781E-01 9132 0.225E+01 0.363E-01 RMM: 2 -0.344144746691E+03 -0.18197E-01 -0.10380E-01 5463 0.669E-01 0.128E+00 RMM: 3 -0.344132946492E+03 0.11800E-01 -0.90852E-03 5427 0.210E-01 0.281E-01 RMM: 4 -0.344133195158E+03 -0.24867E-03 -0.19700E-03 4785 0.106E-01 0.373E-01 RMM: 5 -0.344132524020E+03 0.67114E-03 -0.89938E-04 4587 0.811E-02 0.232E-01 RMM: 6 -0.344132239292E+03 0.28473E-03 -0.32381E-04 3933 0.469E-02 0.111E-01 RMM: 7 -0.344132322697E+03 -0.83405E-04 -0.17664E-04 3884 0.377E-02 0.163E-01 RMM: 8 -0.344132153460E+03 0.16924E-03 -0.81599E-05 3569 0.267E-02 0.433E-02 RMM: 9 -0.344132147740E+03 0.57198E-05 -0.15337E-05 2531 0.113E-02 3096 T= 5947. E= 0.68993023E+03 F= 0.64073071E+03 E0= 0.67041786E+03 EK= 0.49200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344872411066E+03 -0.74026E+00 -0.18936E-01 9096 0.232E+01 0.344E-01 RMM: 2 -0.344892037221E+03 -0.19626E-01 -0.12070E-01 5504 0.715E-01 0.125E+00 RMM: 3 -0.344880554320E+03 0.11483E-01 -0.98079E-03 5429 0.217E-01 0.289E-01 RMM: 4 -0.344880488742E+03 0.65578E-04 -0.17241E-03 4699 0.968E-02 0.310E-01 RMM: 5 -0.344880082661E+03 0.40608E-03 -0.93886E-04 4608 0.846E-02 0.232E-01 RMM: 6 -0.344879835695E+03 0.24697E-03 -0.37117E-04 4059 0.498E-02 0.130E-01 RMM: 7 -0.344879893366E+03 -0.57671E-04 -0.19758E-04 3876 0.405E-02 0.164E-01 RMM: 8 -0.344879721929E+03 0.17144E-03 -0.90757E-05 3677 0.282E-02 0.464E-02 RMM: 9 -0.344879714358E+03 0.75707E-05 -0.17530E-05 2554 0.123E-02 3097 T= 6399. E= 0.69253969E+03 F= 0.63960588E+03 E0= 0.66930323E+03 EK= 0.52934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345424482928E+03 -0.54476E+00 -0.21626E-01 9096 0.241E+01 0.338E-01 RMM: 2 -0.345447784811E+03 -0.23302E-01 -0.13543E-01 5575 0.749E-01 0.137E+00 RMM: 3 -0.345433694101E+03 0.14091E-01 -0.10129E-02 5417 0.220E-01 0.271E-01 RMM: 4 -0.345433589010E+03 0.10509E-03 -0.16764E-03 4670 0.947E-02 0.285E-01 RMM: 5 -0.345433215801E+03 0.37321E-03 -0.92254E-04 4603 0.843E-02 0.210E-01 RMM: 6 -0.345433062562E+03 0.15324E-03 -0.37001E-04 4112 0.497E-02 0.149E-01 RMM: 7 -0.345433076738E+03 -0.14176E-04 -0.21110E-04 3888 0.420E-02 0.161E-01 RMM: 8 -0.345432913863E+03 0.16288E-03 -0.85976E-05 3605 0.275E-02 0.453E-02 RMM: 9 -0.345432909226E+03 0.46364E-05 -0.16755E-05 2543 0.119E-02 3098 T= 6871. E= 0.69552188E+03 F= 0.63868424E+03 E0= 0.66839554E+03 EK= 0.56838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345688194197E+03 -0.25528E+00 -0.24452E-01 9048 0.249E+01 0.334E-01 RMM: 2 -0.345708839892E+03 -0.20646E-01 -0.14615E-01 5564 0.779E-01 0.116E+00 RMM: 3 -0.345698482389E+03 0.10358E-01 -0.10351E-02 5557 0.218E-01 0.268E-01 RMM: 4 -0.345698416252E+03 0.66137E-04 -0.15639E-03 4705 0.919E-02 0.298E-01 RMM: 5 -0.345698034385E+03 0.38187E-03 -0.95104E-04 4608 0.856E-02 0.222E-01 RMM: 6 -0.345697839524E+03 0.19486E-03 -0.39344E-04 4180 0.512E-02 0.143E-01 RMM: 7 -0.345697877677E+03 -0.38153E-04 -0.20400E-04 3877 0.415E-02 0.167E-01 RMM: 8 -0.345697699102E+03 0.17857E-03 -0.89747E-05 3659 0.281E-02 0.442E-02 RMM: 9 -0.345697694333E+03 0.47696E-05 -0.21132E-05 2620 0.136E-02 3099 T= 7174. E= 0.69740753E+03 F= 0.63805807E+03 E0= 0.66778676E+03 EK= 0.59349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345631690009E+03 0.66009E-01 -0.26113E-01 8952 0.251E+01 0.327E-01 RMM: 2 -0.345651373087E+03 -0.19683E-01 -0.15027E-01 5650 0.780E-01 0.105E+00 RMM: 3 -0.345642335864E+03 0.90372E-02 -0.92037E-03 5521 0.204E-01 0.253E-01 RMM: 4 -0.345642650957E+03 -0.31509E-03 -0.17716E-03 4765 0.102E-01 0.368E-01 RMM: 5 -0.345641849231E+03 0.80173E-03 -0.90755E-04 4605 0.821E-02 0.162E-01 RMM: 6 -0.345641817211E+03 0.32020E-04 -0.28341E-04 3896 0.432E-02 0.152E-01 RMM: 7 -0.345641767793E+03 0.49418E-04 -0.15978E-04 3883 0.376E-02 0.131E-01 RMM: 8 -0.345641660751E+03 0.10704E-03 -0.59721E-05 3400 0.228E-02 0.387E-02 RMM: 9 -0.345641659872E+03 0.87891E-06 -0.14720E-05 2508 0.112E-02 3100 T= 7171. E= 0.69708008E+03 F= 0.63775435E+03 E0= 0.66750197E+03 EK= 0.59326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345315938901E+03 0.32572E+00 -0.26285E-01 8748 0.248E+01 0.382E-01 RMM: 2 -0.345334672176E+03 -0.18733E-01 -0.15144E-01 5596 0.805E-01 0.103E+00 RMM: 3 -0.345326441827E+03 0.82303E-02 -0.10823E-02 5472 0.222E-01 0.292E-01 RMM: 4 -0.345327161474E+03 -0.71965E-03 -0.21875E-03 5006 0.113E-01 0.459E-01 RMM: 5 -0.345325983377E+03 0.11781E-02 -0.90474E-04 4608 0.791E-02 0.226E-01 RMM: 6 -0.345325697999E+03 0.28538E-03 -0.32427E-04 3926 0.467E-02 0.102E-01 RMM: 7 -0.345325792315E+03 -0.94316E-04 -0.15001E-04 3876 0.343E-02 0.161E-01 RMM: 8 -0.345325626571E+03 0.16574E-03 -0.76590E-05 3566 0.258E-02 0.459E-02 RMM: 9 -0.345325617478E+03 0.90927E-05 -0.18453E-05 2548 0.126E-02 3101 T= 6873. E= 0.69456257E+03 F= 0.63770543E+03 E0= 0.66747180E+03 EK= 0.56857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344880540980E+03 0.44509E+00 -0.24299E-01 8820 0.241E+01 0.412E-01 RMM: 2 -0.344901219991E+03 -0.20679E-01 -0.14436E-01 5663 0.786E-01 0.123E+00 RMM: 3 -0.344890058382E+03 0.11162E-01 -0.10121E-02 5372 0.224E-01 0.295E-01 RMM: 4 -0.344891371227E+03 -0.13128E-02 -0.28745E-03 5247 0.131E-01 0.541E-01 RMM: 5 -0.344889492726E+03 0.18785E-02 -0.11221E-03 4611 0.898E-02 0.158E-01 RMM: 6 -0.344889375704E+03 0.11702E-03 -0.20284E-04 3885 0.362E-02 0.990E-02 RMM: 7 -0.344889429602E+03 -0.53898E-04 -0.12374E-04 3861 0.297E-02 0.140E-01 RMM: 8 -0.344889304450E+03 0.12515E-03 -0.67577E-05 3483 0.241E-02 0.418E-02 RMM: 9 -0.344889298988E+03 0.54612E-05 -0.15220E-05 2521 0.112E-02 3102 T= 6431. E= 0.69096688E+03 F= 0.63776591E+03 E0= 0.66754961E+03 EK= 0.53201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344487893240E+03 0.40141E+00 -0.20790E-01 8796 0.233E+01 0.447E-01 RMM: 2 -0.344507129826E+03 -0.19237E-01 -0.12738E-01 5503 0.760E-01 0.127E+00 RMM: 3 -0.344495545108E+03 0.11585E-01 -0.11004E-02 5381 0.234E-01 0.345E-01 RMM: 4 -0.344496787697E+03 -0.12426E-02 -0.31823E-03 5297 0.136E-01 0.555E-01 RMM: 5 -0.344494913027E+03 0.18747E-02 -0.10986E-03 4608 0.883E-02 0.224E-01 RMM: 6 -0.344494611414E+03 0.30161E-03 -0.27223E-04 3909 0.430E-02 0.895E-02 RMM: 7 -0.344494684230E+03 -0.72816E-04 -0.13559E-04 3879 0.310E-02 0.143E-01 RMM: 8 -0.344494551841E+03 0.13239E-03 -0.73215E-05 3537 0.247E-02 0.476E-02 RMM: 9 -0.344494543093E+03 0.87488E-05 -0.19210E-05 2569 0.128E-02 3103 T= 6032. E= 0.68767609E+03 F= 0.63777166E+03 E0= 0.66757103E+03 EK= 0.49904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344266332981E+03 0.22822E+00 -0.17770E-01 8652 0.227E+01 0.440E-01 RMM: 2 -0.344283599496E+03 -0.17267E-01 -0.10319E-01 5420 0.695E-01 0.130E+00 RMM: 3 -0.344271970205E+03 0.11629E-01 -0.95917E-03 5362 0.224E-01 0.325E-01 RMM: 4 -0.344273428446E+03 -0.14582E-02 -0.31662E-03 5187 0.136E-01 0.581E-01 RMM: 5 -0.344271368849E+03 0.20596E-02 -0.12320E-03 4608 0.942E-02 0.196E-01 RMM: 6 -0.344271139828E+03 0.22902E-03 -0.20733E-04 3883 0.370E-02 0.797E-02 RMM: 7 -0.344271200056E+03 -0.60228E-04 -0.12349E-04 3874 0.297E-02 0.132E-01 RMM: 8 -0.344271088339E+03 0.11172E-03 -0.60523E-05 3407 0.232E-02 0.427E-02 RMM: 9 -0.344271083254E+03 0.50845E-05 -0.17415E-05 2541 0.120E-02 3104 T= 5811. E= 0.68566541E+03 F= 0.63759495E+03 E0= 0.66740861E+03 EK= 0.48070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344277482552E+03 -0.63942E-02 -0.15942E-01 8136 0.226E+01 0.414E-01 RMM: 2 -0.344292904128E+03 -0.15422E-01 -0.81291E-02 5387 0.623E-01 0.130E+00 RMM: 3 -0.344281448379E+03 0.11456E-01 -0.83678E-03 5361 0.211E-01 0.306E-01 RMM: 4 -0.344282575754E+03 -0.11274E-02 -0.27502E-03 5152 0.127E-01 0.526E-01 RMM: 5 -0.344280987291E+03 0.15885E-02 -0.10171E-03 4605 0.853E-02 0.223E-01 RMM: 6 -0.344280693423E+03 0.29387E-03 -0.26238E-04 3890 0.423E-02 0.847E-02 RMM: 7 -0.344280761043E+03 -0.67620E-04 -0.11979E-04 3871 0.304E-02 0.138E-01 RMM: 8 -0.344280634183E+03 0.12686E-03 -0.58469E-05 3405 0.228E-02 0.331E-02 RMM: 9 -0.344280635719E+03 -0.15361E-05 -0.15935E-05 2522 0.114E-02 3105 T= 5824. E= 0.68536094E+03 F= 0.63717962E+03 E0= 0.66700711E+03 EK= 0.48181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344507950903E+03 -0.22732E+00 -0.16005E-01 8100 0.228E+01 0.379E-01 RMM: 2 -0.344522891120E+03 -0.14940E-01 -0.78620E-02 5262 0.623E-01 0.124E+00 RMM: 3 -0.344512304514E+03 0.10587E-01 -0.83056E-03 5379 0.207E-01 0.288E-01 RMM: 4 -0.344512908510E+03 -0.60400E-03 -0.23600E-03 5049 0.118E-01 0.436E-01 RMM: 5 -0.344511832194E+03 0.10763E-02 -0.10491E-03 4604 0.886E-02 0.202E-01 RMM: 6 -0.344511609446E+03 0.22275E-03 -0.22807E-04 3888 0.391E-02 0.951E-02 RMM: 7 -0.344511633544E+03 -0.24098E-04 -0.13825E-04 3880 0.341E-02 0.122E-01 RMM: 8 -0.344511539830E+03 0.93714E-04 -0.51947E-05 3308 0.220E-02 0.376E-02 RMM: 9 -0.344511538456E+03 0.13743E-05 -0.13206E-05 2507 0.104E-02 3106 T= 6066. E= 0.68672439E+03 F= 0.63654432E+03 E0= 0.66638446E+03 EK= 0.50180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344882139738E+03 -0.37060E+00 -0.17325E-01 8424 0.234E+01 0.348E-01 RMM: 2 -0.344895818601E+03 -0.13679E-01 -0.92315E-02 5302 0.671E-01 0.107E+00 RMM: 3 -0.344888060638E+03 0.77580E-02 -0.88956E-03 5435 0.207E-01 0.279E-01 RMM: 4 -0.344888265806E+03 -0.20517E-03 -0.16934E-03 4727 0.986E-02 0.357E-01 RMM: 5 -0.344887638558E+03 0.62725E-03 -0.97608E-04 4604 0.852E-02 0.231E-01 RMM: 6 -0.344887379000E+03 0.25956E-03 -0.39369E-04 4125 0.518E-02 0.126E-01 RMM: 7 -0.344887431777E+03 -0.52777E-04 -0.17925E-04 3884 0.390E-02 0.161E-01 RMM: 8 -0.344887265999E+03 0.16578E-03 -0.79337E-05 3579 0.266E-02 0.440E-02 RMM: 9 -0.344887261169E+03 0.48304E-05 -0.19290E-05 2558 0.129E-02 3107 T= 6465. E= 0.68925745E+03 F= 0.63577117E+03 E0= 0.66562198E+03 EK= 0.53486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345282100322E+03 -0.39483E+00 -0.19759E-01 8676 0.241E+01 0.306E-01 RMM: 2 -0.345296514273E+03 -0.14414E-01 -0.11769E-01 5289 0.744E-01 0.886E-01 RMM: 3 -0.345290687164E+03 0.58271E-02 -0.10023E-02 5589 0.201E-01 0.244E-01 RMM: 4 -0.345290814943E+03 -0.12778E-03 -0.15707E-03 4781 0.992E-02 0.344E-01 RMM: 5 -0.345290079534E+03 0.73541E-03 -0.95475E-04 4604 0.855E-02 0.145E-01 RMM: 6 -0.345290248109E+03 -0.16857E-03 -0.35494E-04 3937 0.476E-02 0.220E-01 RMM: 7 -0.345290002592E+03 0.24552E-03 -0.18722E-04 3887 0.416E-02 0.113E-01 RMM: 8 -0.345289924251E+03 0.78342E-04 -0.45736E-05 3238 0.197E-02 0.400E-02 RMM: 9 -0.345289928019E+03 -0.37684E-05 -0.24669E-05 2563 0.145E-02 3108 T= 6886. E= 0.69194654E+03 F= 0.63498008E+03 E0= 0.66483730E+03 EK= 0.56966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345586946024E+03 -0.29702E+00 -0.21558E-01 8892 0.247E+01 0.330E-01 RMM: 2 -0.345605718896E+03 -0.18773E-01 -0.13505E-01 5285 0.812E-01 0.113E+00 RMM: 3 -0.345596993538E+03 0.87254E-02 -0.12745E-02 5746 0.225E-01 0.276E-01 RMM: 4 -0.345596691973E+03 0.30157E-03 -0.14771E-03 4713 0.921E-02 0.276E-01 RMM: 5 -0.345596276595E+03 0.41538E-03 -0.95053E-04 4604 0.857E-02 0.197E-01 RMM: 6 -0.345596250856E+03 0.25739E-04 -0.46254E-04 4461 0.552E-02 0.188E-01 RMM: 7 -0.345596162011E+03 0.88846E-04 -0.19877E-04 3896 0.406E-02 0.154E-01 RMM: 8 -0.345596008991E+03 0.15302E-03 -0.64713E-05 3476 0.241E-02 0.434E-02 RMM: 9 -0.345596010104E+03 -0.11133E-05 -0.27075E-05 2661 0.149E-02 3109 T= 7153. E= 0.69346528E+03 F= 0.63429232E+03 E0= 0.66414830E+03 EK= 0.59173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345712665214E+03 -0.11666E+00 -0.23007E-01 8940 0.248E+01 0.337E-01 RMM: 2 -0.345732324646E+03 -0.19659E-01 -0.14589E-01 5304 0.809E-01 0.109E+00 RMM: 3 -0.345723229216E+03 0.90954E-02 -0.12460E-02 5577 0.227E-01 0.254E-01 RMM: 4 -0.345723457345E+03 -0.22813E-03 -0.18787E-03 4893 0.107E-01 0.373E-01 RMM: 5 -0.345722604194E+03 0.85315E-03 -0.92493E-04 4601 0.816E-02 0.169E-01 RMM: 6 -0.345722655180E+03 -0.50986E-04 -0.41860E-04 4079 0.517E-02 0.195E-01 RMM: 7 -0.345722537903E+03 0.11728E-03 -0.19379E-04 3889 0.408E-02 0.150E-01 RMM: 8 -0.345722394281E+03 0.14362E-03 -0.70115E-05 3503 0.242E-02 0.420E-02 RMM: 9 -0.345722397356E+03 -0.30748E-05 -0.23836E-05 2587 0.141E-02 3110 T= 7139. E= 0.69284288E+03 F= 0.63378531E+03 E0= 0.66363083E+03 EK= 0.59058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345648931184E+03 0.73463E-01 -0.22916E-01 9012 0.245E+01 0.367E-01 RMM: 2 -0.345668081211E+03 -0.19150E-01 -0.14506E-01 5288 0.798E-01 0.110E+00 RMM: 3 -0.345659006817E+03 0.90744E-02 -0.12193E-02 5607 0.226E-01 0.253E-01 RMM: 4 -0.345659589607E+03 -0.58279E-03 -0.21824E-03 5062 0.116E-01 0.431E-01 RMM: 5 -0.345658470236E+03 0.11194E-02 -0.90017E-04 4608 0.793E-02 0.191E-01 RMM: 6 -0.345658371008E+03 0.99228E-04 -0.34311E-04 3931 0.470E-02 0.154E-01 RMM: 7 -0.345658358470E+03 0.12538E-04 -0.16627E-04 3882 0.378E-02 3111 T= 6853. E= 0.69015153E+03 F= 0.63346281E+03 E0= 0.66328801E+03 EK= 0.56689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345447833744E+03 0.21054E+00 -0.22782E-01 9012 0.238E+01 0.440E-01 RMM: 2 -0.345463400791E+03 -0.15567E-01 -0.14867E-01 5237 0.814E-01 0.887E-01 RMM: 3 -0.345457799857E+03 0.56009E-02 -0.12421E-02 5576 0.232E-01 0.378E-01 RMM: 4 -0.345458985410E+03 -0.11856E-02 -0.28582E-03 5258 0.133E-01 0.602E-01 RMM: 5 -0.345456621561E+03 0.23638E-02 -0.14862E-03 4608 0.103E-01 0.148E-01 RMM: 6 -0.345456711178E+03 -0.89617E-04 -0.36999E-04 3959 0.480E-02 0.197E-01 RMM: 7 -0.345456557206E+03 0.15397E-03 -0.16909E-04 3888 0.374E-02 0.134E-01 RMM: 8 -0.345456444968E+03 0.11224E-03 -0.72153E-05 3519 0.242E-02 0.428E-02 RMM: 9 -0.345456461593E+03 -0.16625E-04 -0.32471E-05 2941 0.160E-02 3112 T= 6429. E= 0.68645515E+03 F= 0.63326650E+03 E0= 0.66306646E+03 EK= 0.53189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345188135342E+03 0.26831E+00 -0.21298E-01 9120 0.231E+01 0.378E-01 RMM: 2 -0.345204559186E+03 -0.16424E-01 -0.13140E-01 5375 0.749E-01 0.102E+00 RMM: 3 -0.345196779923E+03 0.77793E-02 -0.10236E-02 5560 0.214E-01 0.285E-01 RMM: 4 -0.345197694731E+03 -0.91481E-03 -0.23206E-03 5050 0.117E-01 0.488E-01 RMM: 5 -0.345196255504E+03 0.14392E-02 -0.89945E-04 4599 0.796E-02 0.186E-01 RMM: 6 -0.345196065056E+03 0.19045E-03 -0.25420E-04 3901 0.413E-02 0.884E-02 RMM: 7 -0.345196142975E+03 -0.77919E-04 -0.10071E-04 3763 0.272E-02 0.143E-01 RMM: 8 -0.345196009239E+03 0.13374E-03 -0.52524E-05 3314 0.218E-02 0.291E-02 RMM: 9 -0.345196008690E+03 0.54878E-06 -0.10842E-05 2488 0.921E-03 3113 T= 6039. E= 0.68307527E+03 F= 0.63311474E+03 E0= 0.66288437E+03 EK= 0.49961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344940296117E+03 0.25571E+00 -0.20583E-01 9084 0.226E+01 0.441E-01 RMM: 2 -0.344954318352E+03 -0.14022E-01 -0.12520E-01 5398 0.722E-01 0.942E-01 RMM: 3 -0.344947617355E+03 0.67010E-02 -0.97633E-03 5440 0.215E-01 0.361E-01 RMM: 4 -0.344949046554E+03 -0.14292E-02 -0.28450E-03 5187 0.132E-01 0.610E-01 RMM: 5 -0.344946696201E+03 0.23504E-02 -0.13235E-03 4609 0.984E-02 0.172E-01 RMM: 6 -0.344946570440E+03 0.12576E-03 -0.26224E-04 3910 0.407E-02 0.117E-01 RMM: 7 -0.344946580424E+03 -0.99840E-05 -0.12360E-04 3883 0.309E-02 3114 T= 5806. E= 0.68097199E+03 F= 0.63294002E+03 E0= 0.66267866E+03 EK= 0.48032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344744682786E+03 0.20189E+00 -0.19415E-01 8988 0.225E+01 0.435E-01 RMM: 2 -0.344757587820E+03 -0.12905E-01 -0.11416E-01 5457 0.694E-01 0.928E-01 RMM: 3 -0.344751366265E+03 0.62216E-02 -0.86843E-03 5491 0.199E-01 0.355E-01 RMM: 4 -0.344752727236E+03 -0.13610E-02 -0.28105E-03 5108 0.132E-01 0.598E-01 RMM: 5 -0.344750428341E+03 0.22989E-02 -0.13568E-03 4611 0.982E-02 0.166E-01 RMM: 6 -0.344750394923E+03 0.33418E-04 -0.32839E-04 3932 0.461E-02 0.159E-01 RMM: 7 -0.344750347168E+03 0.47754E-04 -0.16118E-04 3880 0.372E-02 0.144E-01 RMM: 8 -0.344750215712E+03 0.13146E-03 -0.71223E-05 3508 0.244E-02 0.431E-02 RMM: 9 -0.344750222594E+03 -0.68826E-05 -0.25188E-05 2726 0.144E-02 3115 T= 5790. E= 0.68060115E+03 F= 0.63270619E+03 E0= 0.66241421E+03 EK= 0.47895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344617768656E+03 0.13245E+00 -0.19108E-01 8988 0.227E+01 0.371E-01 RMM: 2 -0.344635233204E+03 -0.17465E-01 -0.11695E-01 5404 0.707E-01 0.116E+00 RMM: 3 -0.344625292430E+03 0.99408E-02 -0.97934E-03 5453 0.212E-01 0.285E-01 RMM: 4 -0.344625875487E+03 -0.58306E-03 -0.22931E-03 4985 0.116E-01 0.437E-01 RMM: 5 -0.344624859766E+03 0.10157E-02 -0.10054E-03 4608 0.859E-02 0.223E-01 RMM: 6 -0.344624567293E+03 0.29247E-03 -0.30979E-04 3919 0.460E-02 0.869E-02 RMM: 7 -0.344624662621E+03 -0.95328E-04 -0.11997E-04 3868 0.302E-02 0.150E-01 RMM: 8 -0.344624514114E+03 0.14851E-03 -0.58267E-05 3410 0.232E-02 0.360E-02 RMM: 9 -0.344624509150E+03 0.49637E-05 -0.10536E-05 2494 0.934E-03 3116 T= 5993. E= 0.68198499E+03 F= 0.63240327E+03 E0= 0.66208140E+03 EK= 0.49582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344560077310E+03 0.64437E-01 -0.19689E-01 8928 0.233E+01 0.395E-01 RMM: 2 -0.344578429976E+03 -0.18353E-01 -0.13317E-01 5357 0.764E-01 0.115E+00 RMM: 3 -0.344568790781E+03 0.96392E-02 -0.10905E-02 5495 0.220E-01 0.273E-01 RMM: 4 -0.344569778619E+03 -0.98784E-03 -0.25325E-03 5092 0.124E-01 0.510E-01 RMM: 5 -0.344568253936E+03 0.15247E-02 -0.11105E-03 4609 0.894E-02 0.207E-01 RMM: 6 -0.344568102319E+03 0.15162E-03 -0.37185E-04 4008 0.491E-02 0.151E-01 RMM: 7 -0.344568063874E+03 0.38445E-04 -0.18634E-04 3883 0.413E-02 0.140E-01 RMM: 8 -0.344567939233E+03 0.12464E-03 -0.64464E-05 3458 0.238E-02 0.397E-02 RMM: 9 -0.344567946005E+03 -0.67716E-05 -0.23735E-05 2651 0.141E-02 3117 T= 6368. E= 0.68472384E+03 F= 0.63203932E+03 E0= 0.66168820E+03 EK= 0.52685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344553885379E+03 0.14054E-01 -0.20392E-01 8952 0.241E+01 0.361E-01 RMM: 2 -0.344575847863E+03 -0.21962E-01 -0.13749E-01 5353 0.786E-01 0.130E+00 RMM: 3 -0.344563595750E+03 0.12252E-01 -0.12239E-02 5511 0.234E-01 0.292E-01 RMM: 4 -0.344563540760E+03 0.54991E-04 -0.20576E-03 4898 0.108E-01 0.331E-01 RMM: 5 -0.344563040367E+03 0.50039E-03 -0.10805E-03 4612 0.908E-02 0.229E-01 RMM: 6 -0.344562801847E+03 0.23852E-03 -0.35381E-04 3918 0.486E-02 0.132E-01 RMM: 7 -0.344562857876E+03 -0.56029E-04 -0.19510E-04 3885 0.403E-02 0.165E-01 RMM: 8 -0.344562683581E+03 0.17429E-03 -0.84825E-05 3624 0.274E-02 0.467E-02 RMM: 9 -0.344562676513E+03 0.70677E-05 -0.15724E-05 2529 0.114E-02 3118 T= 6804. E= 0.68791957E+03 F= 0.63163529E+03 E0= 0.66125208E+03 EK= 0.56284E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344567723749E+03 -0.50402E-02 -0.21515E-01 8784 0.248E+01 0.358E-01 RMM: 2 -0.344586663072E+03 -0.18939E-01 -0.14540E-01 5432 0.793E-01 0.107E+00 RMM: 3 -0.344577793224E+03 0.88698E-02 -0.10817E-02 5589 0.215E-01 0.259E-01 RMM: 4 -0.344578207737E+03 -0.41451E-03 -0.20340E-03 4839 0.111E-01 0.410E-01 RMM: 5 -0.344577286966E+03 0.92077E-03 -0.10415E-03 4610 0.879E-02 0.208E-01 RMM: 6 -0.344577167102E+03 0.11986E-03 -0.43183E-04 4231 0.533E-02 0.168E-01 RMM: 7 -0.344577137161E+03 0.29942E-04 -0.24167E-04 3891 0.454E-02 0.160E-01 RMM: 8 -0.344576971988E+03 0.16517E-03 -0.96936E-05 3711 0.292E-02 0.482E-02 RMM: 9 -0.344576967053E+03 0.49348E-05 -0.23112E-05 2664 0.142E-02 3119 T= 7136. E= 0.69025819E+03 F= 0.63122146E+03 E0= 0.66080247E+03 EK= 0.59037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344564613090E+03 0.12359E-01 -0.22852E-01 8808 0.251E+01 0.341E-01 RMM: 2 -0.344585608643E+03 -0.20996E-01 -0.14601E-01 5390 0.798E-01 0.118E+00 RMM: 3 -0.344574968278E+03 0.10640E-01 -0.11125E-02 5557 0.222E-01 0.270E-01 RMM: 4 -0.344575040762E+03 -0.72484E-04 -0.19744E-03 4902 0.109E-01 0.344E-01 RMM: 5 -0.344574370267E+03 0.67050E-03 -0.11439E-03 4612 0.942E-02 0.185E-01 RMM: 6 -0.344574331171E+03 0.39095E-04 -0.34383E-04 3905 0.477E-02 0.172E-01 RMM: 7 -0.344574235702E+03 0.95469E-04 -0.19254E-04 3883 0.422E-02 0.134E-01 RMM: 8 -0.344574123298E+03 0.11240E-03 -0.58980E-05 3398 0.228E-02 0.409E-02 RMM: 9 -0.344574123310E+03 -0.11853E-07 -0.16994E-05 2526 0.119E-02 3120 T= 7218. E= 0.69054480E+03 F= 0.63082912E+03 E0= 0.66036827E+03 EK= 0.59716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344519022404E+03 0.55101E-01 -0.23524E-01 8664 0.250E+01 0.367E-01 RMM: 2 -0.344538386795E+03 -0.19364E-01 -0.15538E-01 5322 0.827E-01 0.102E+00 RMM: 3 -0.344529948619E+03 0.84382E-02 -0.12070E-02 5587 0.226E-01 0.295E-01 RMM: 4 -0.344530180965E+03 -0.23235E-03 -0.21717E-03 5006 0.115E-01 0.395E-01 RMM: 5 -0.344529412298E+03 0.76867E-03 -0.11505E-03 4608 0.925E-02 0.243E-01 RMM: 6 -0.344529123903E+03 0.28840E-03 -0.43856E-04 4255 0.546E-02 0.137E-01 RMM: 7 -0.344529163811E+03 -0.39908E-04 -0.22842E-04 3893 0.440E-02 0.164E-01 RMM: 8 -0.344528989076E+03 0.17473E-03 -0.94148E-05 3682 0.292E-02 0.460E-02 RMM: 9 -0.344528984034E+03 0.50421E-05 -0.20263E-05 2587 0.134E-02 3121 T= 7010. E= 0.68847079E+03 F= 0.63047593E+03 E0= 0.65996816E+03 EK= 0.57995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344430739545E+03 0.98250E-01 -0.22360E-01 8736 0.245E+01 0.376E-01 RMM: 2 -0.344447998017E+03 -0.17258E-01 -0.13975E-01 5295 0.776E-01 0.987E-01 RMM: 3 -0.344440058539E+03 0.79395E-02 -0.10829E-02 5462 0.223E-01 0.280E-01 RMM: 4 -0.344441042706E+03 -0.98417E-03 -0.25896E-03 5213 0.129E-01 0.502E-01 RMM: 5 -0.344439465977E+03 0.15767E-02 -0.11675E-03 4612 0.924E-02 0.169E-01 RMM: 6 -0.344439389916E+03 0.76061E-04 -0.30633E-04 3929 0.451E-02 0.139E-01 RMM: 7 -0.344439358867E+03 0.31050E-04 -0.15497E-04 3878 0.372E-02 0.131E-01 RMM: 8 -0.344439246586E+03 0.11228E-03 -0.59579E-05 3401 0.232E-02 0.397E-02 RMM: 9 -0.344439246749E+03 -0.16330E-06 -0.16305E-05 2524 0.118E-02 3122 T= 6611. E= 0.68484956E+03 F= 0.63015717E+03 E0= 0.65959957E+03 EK= 0.54692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344319804735E+03 0.11944E+00 -0.21128E-01 8820 0.238E+01 0.416E-01 RMM: 2 -0.344337739517E+03 -0.17935E-01 -0.12683E-01 5264 0.759E-01 0.117E+00 RMM: 3 -0.344327606603E+03 0.10133E-01 -0.10981E-02 5425 0.231E-01 0.319E-01 RMM: 4 -0.344328519135E+03 -0.91253E-03 -0.28802E-03 5295 0.132E-01 0.508E-01 RMM: 5 -0.344327109141E+03 0.14100E-02 -0.12049E-03 4612 0.942E-02 0.248E-01 RMM: 6 -0.344326726635E+03 0.38251E-03 -0.35307E-04 4005 0.493E-02 0.967E-02 RMM: 7 -0.344326805895E+03 -0.79261E-04 -0.16762E-04 3884 0.368E-02 0.151E-01 RMM: 8 -0.344326654459E+03 0.15144E-03 -0.78458E-05 3600 0.267E-02 0.443E-02 RMM: 9 -0.344326647548E+03 0.69103E-05 -0.16540E-05 2533 0.121E-02 3123 T= 6187. E= 0.68103317E+03 F= 0.62984695E+03 E0= 0.65924033E+03 EK= 0.51186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344220412043E+03 0.10624E+00 -0.19088E-01 8832 0.232E+01 0.432E-01 RMM: 2 -0.344236148162E+03 -0.15736E-01 -0.10765E-01 5417 0.687E-01 0.116E+00 RMM: 3 -0.344226221303E+03 0.99269E-02 -0.94127E-03 5380 0.221E-01 0.333E-01 RMM: 4 -0.344227797254E+03 -0.15760E-02 -0.30253E-03 5175 0.138E-01 0.598E-01 RMM: 5 -0.344225592468E+03 0.22048E-02 -0.12448E-03 4610 0.954E-02 0.211E-01 RMM: 6 -0.344225346897E+03 0.24557E-03 -0.30228E-04 3927 0.448E-02 0.105E-01 RMM: 7 -0.344225395656E+03 -0.48759E-04 -0.15524E-04 3878 0.357E-02 0.145E-01 RMM: 8 -0.344225259963E+03 0.13569E-03 -0.70571E-05 3502 0.252E-02 0.382E-02 RMM: 9 -0.344225261568E+03 -0.16049E-05 -0.17919E-05 2543 0.123E-02 3124 T= 5882. E= 0.67817411E+03 F= 0.62951149E+03 E0= 0.65885937E+03 EK= 0.48663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344163076486E+03 0.62183E-01 -0.17849E-01 8772 0.228E+01 0.428E-01 RMM: 2 -0.344178067074E+03 -0.14991E-01 -0.10114E-01 5325 0.683E-01 0.116E+00 RMM: 3 -0.344168530244E+03 0.95368E-02 -0.95440E-03 5393 0.218E-01 0.324E-01 RMM: 4 -0.344169645797E+03 -0.11156E-02 -0.28792E-03 5211 0.131E-01 0.545E-01 RMM: 5 -0.344167994752E+03 0.16510E-02 -0.12808E-03 4607 0.976E-02 0.249E-01 RMM: 6 -0.344167625415E+03 0.36934E-03 -0.32008E-04 3962 0.467E-02 0.913E-02 RMM: 7 -0.344167680582E+03 -0.55167E-04 -0.15236E-04 3886 0.355E-02 0.135E-01 RMM: 8 -0.344167556985E+03 0.12360E-03 -0.69788E-05 3497 0.251E-02 0.384E-02 RMM: 9 -0.344167555189E+03 0.17961E-05 -0.18338E-05 2557 0.126E-02 3125 T= 5777. E= 0.67691817E+03 F= 0.62912302E+03 E0= 0.65843142E+03 EK= 0.47795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344167838112E+03 -0.28113E-03 -0.17515E-01 8844 0.229E+01 0.410E-01 RMM: 2 -0.344182104996E+03 -0.14267E-01 -0.87838E-02 5424 0.632E-01 0.117E+00 RMM: 3 -0.344172349764E+03 0.97552E-02 -0.80764E-03 5369 0.204E-01 0.298E-01 RMM: 4 -0.344173760242E+03 -0.14105E-02 -0.28314E-03 5055 0.132E-01 0.566E-01 RMM: 5 -0.344171758415E+03 0.20018E-02 -0.12671E-03 4600 0.968E-02 0.169E-01 RMM: 6 -0.344171637213E+03 0.12120E-03 -0.24560E-04 3902 0.401E-02 0.116E-01 RMM: 7 -0.344171632116E+03 0.50968E-05 -0.12670E-04 3864 0.337E-02 3126 T= 5895. E= 0.67744180E+03 F= 0.62867095E+03 E0= 0.65794701E+03 EK= 0.48771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344225503353E+03 -0.53866E-01 -0.17866E-01 8724 0.233E+01 0.418E-01 RMM: 2 -0.344236299580E+03 -0.10796E-01 -0.89700E-02 5344 0.646E-01 0.944E-01 RMM: 3 -0.344230288102E+03 0.60115E-02 -0.77922E-03 5445 0.192E-01 0.319E-01 RMM: 4 -0.344231757004E+03 -0.14689E-02 -0.28946E-03 5034 0.138E-01 0.597E-01 RMM: 5 -0.344229565133E+03 0.21919E-02 -0.14305E-03 4621 0.102E-01 0.183E-01 RMM: 6 -0.344229478740E+03 0.86392E-04 -0.36949E-04 4049 0.491E-02 0.157E-01 RMM: 7 -0.344229374053E+03 0.10469E-03 -0.20251E-04 3875 0.448E-02 0.115E-01 RMM: 8 -0.344229293575E+03 0.80478E-04 -0.52054E-05 3297 0.217E-02 0.442E-02 RMM: 9 -0.344229307787E+03 -0.14212E-04 -0.32457E-05 2846 0.164E-02 3127 T= 6206. E= 0.67951464E+03 F= 0.62817105E+03 E0= 0.65742219E+03 EK= 0.51344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344298629109E+03 -0.69336E-01 -0.18674E-01 8544 0.240E+01 0.309E-01 RMM: 2 -0.344311197739E+03 -0.12569E-01 -0.89656E-02 5288 0.661E-01 0.956E-01 RMM: 3 -0.344304575021E+03 0.66227E-02 -0.79978E-03 5490 0.191E-01 0.238E-01 RMM: 4 -0.344304931916E+03 -0.35689E-03 -0.16388E-03 4736 0.101E-01 0.361E-01 RMM: 5 -0.344304238929E+03 0.69299E-03 -0.89368E-04 4600 0.835E-02 0.190E-01 RMM: 6 -0.344304060086E+03 0.17884E-03 -0.28817E-04 3902 0.444E-02 0.106E-01 RMM: 7 -0.344304088492E+03 -0.28407E-04 -0.13211E-04 3860 0.349E-02 0.132E-01 RMM: 8 -0.344303972912E+03 0.11558E-03 -0.49818E-05 3301 0.215E-02 0.271E-02 RMM: 9 -0.344303971894E+03 0.10179E-05 -0.82409E-06 2480 0.862E-03 3128 T= 6622. E= 0.68244889E+03 F= 0.62766482E+03 E0= 0.65689596E+03 EK= 0.54784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344328143792E+03 -0.24171E-01 -0.20215E-01 8460 0.247E+01 0.368E-01 RMM: 2 -0.344338988544E+03 -0.10845E-01 -0.96389E-02 5287 0.690E-01 0.836E-01 RMM: 3 -0.344334131211E+03 0.48573E-02 -0.85386E-03 5654 0.189E-01 0.261E-01 RMM: 4 -0.344335101038E+03 -0.96983E-03 -0.23495E-03 4952 0.128E-01 0.508E-01 RMM: 5 -0.344333501953E+03 0.15991E-02 -0.12319E-03 4608 0.953E-02 0.155E-01 RMM: 6 -0.344333573522E+03 -0.71569E-04 -0.36083E-04 3980 0.492E-02 0.198E-01 RMM: 7 -0.344333362559E+03 0.21096E-03 -0.21710E-04 3876 0.464E-02 0.104E-01 RMM: 8 -0.344333297412E+03 0.65147E-04 -0.48479E-05 3250 0.211E-02 0.431E-02 RMM: 9 -0.344333304080E+03 -0.66682E-05 -0.26828E-05 2612 0.156E-02 3129 T= 6997. E= 0.68509659E+03 F= 0.62721504E+03 E0= 0.65643102E+03 EK= 0.57882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344241671056E+03 0.91626E-01 -0.21306E-01 8508 0.251E+01 0.321E-01 RMM: 2 -0.344253833425E+03 -0.12162E-01 -0.96792E-02 5273 0.710E-01 0.891E-01 RMM: 3 -0.344248243658E+03 0.55898E-02 -0.89522E-03 5631 0.195E-01 0.235E-01 RMM: 4 -0.344248530495E+03 -0.28684E-03 -0.16461E-03 4764 0.104E-01 0.362E-01 RMM: 5 -0.344247752148E+03 0.77835E-03 -0.11101E-03 4608 0.931E-02 0.164E-01 RMM: 6 -0.344247755150E+03 -0.30021E-05 -0.36497E-04 3946 0.499E-02 0.172E-01 RMM: 7 -0.344247627002E+03 0.12815E-03 -0.18669E-04 3877 0.434E-02 0.116E-01 RMM: 8 -0.344247540833E+03 0.86169E-04 -0.40421E-05 3116 0.194E-02 0.357E-02 RMM: 9 -0.344247544714E+03 -0.38806E-05 -0.18718E-05 2531 0.130E-02 3130 T= 7170. E= 0.68619920E+03 F= 0.62688759E+03 E0= 0.65608824E+03 EK= 0.59312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343993412578E+03 0.25413E+00 -0.21153E-01 8568 0.251E+01 0.362E-01 RMM: 2 -0.344003968180E+03 -0.10556E-01 -0.95043E-02 5263 0.691E-01 0.817E-01 RMM: 3 -0.343999319599E+03 0.46486E-02 -0.84015E-03 5625 0.190E-01 0.265E-01 RMM: 4 -0.344000233436E+03 -0.91384E-03 -0.22291E-03 5009 0.122E-01 0.493E-01 RMM: 5 -0.343998775443E+03 0.14580E-02 -0.11720E-03 4610 0.938E-02 0.178E-01 RMM: 6 -0.343998684478E+03 0.90965E-04 -0.31242E-04 3933 0.456E-02 0.145E-01 RMM: 7 -0.343998618987E+03 0.65491E-04 -0.18405E-04 3872 0.423E-02 0.119E-01 RMM: 8 -0.343998527897E+03 0.91091E-04 -0.56273E-05 3362 0.226E-02 0.377E-02 RMM: 9 -0.343998533260E+03 -0.53632E-05 -0.19854E-05 2552 0.134E-02 3131 T= 7058. E= 0.68510917E+03 F= 0.62672385E+03 E0= 0.65590835E+03 EK= 0.58385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343577043790E+03 0.42148E+00 -0.20173E-01 8220 0.247E+01 0.378E-01 RMM: 2 -0.343588184151E+03 -0.11140E-01 -0.95615E-02 5169 0.697E-01 0.872E-01 RMM: 3 -0.343582771452E+03 0.54127E-02 -0.89750E-03 5555 0.201E-01 0.275E-01 RMM: 4 -0.343583919562E+03 -0.11481E-02 -0.24071E-03 5085 0.125E-01 0.527E-01 RMM: 5 -0.343582193832E+03 0.17257E-02 -0.11231E-03 4607 0.909E-02 0.163E-01 RMM: 6 -0.343582099912E+03 0.93920E-04 -0.26567E-04 3885 0.420E-02 0.124E-01 RMM: 7 -0.343582082548E+03 0.17365E-04 -0.13987E-04 3868 0.360E-02 3132 T= 6714. E= 0.68226401E+03 F= 0.62672089E+03 E0= 0.65588692E+03 EK= 0.55543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343030653469E+03 0.55145E+00 -0.18550E-01 8292 0.240E+01 0.463E-01 RMM: 2 -0.343039232104E+03 -0.85786E-02 -0.85370E-02 5295 0.653E-01 0.852E-01 RMM: 3 -0.343034742547E+03 0.44896E-02 -0.79192E-03 5427 0.196E-01 0.397E-01 RMM: 4 -0.343036404364E+03 -0.16618E-02 -0.30713E-03 5089 0.140E-01 0.662E-01 RMM: 5 -0.343033537870E+03 0.28665E-02 -0.16366E-03 4610 0.109E-01 0.145E-01 RMM: 6 -0.343033550324E+03 -0.12454E-04 -0.30173E-04 3933 0.439E-02 0.162E-01 RMM: 7 -0.343033441455E+03 0.10887E-03 -0.14604E-04 3876 0.365E-02 0.115E-01 RMM: 8 -0.343033356304E+03 0.85150E-04 -0.59816E-05 3403 0.226E-02 0.404E-02 RMM: 9 -0.343033375347E+03 -0.19043E-04 -0.25969E-05 2702 0.145E-02 3133 T= 6289. E= 0.67886974E+03 F= 0.62683869E+03 E0= 0.65598370E+03 EK= 0.52031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342406641592E+03 0.62671E+00 -0.17471E-01 8172 0.233E+01 0.383E-01 RMM: 2 -0.342416584080E+03 -0.99425E-02 -0.88101E-02 5078 0.677E-01 0.854E-01 RMM: 3 -0.342411775265E+03 0.48088E-02 -0.89704E-03 5484 0.204E-01 0.314E-01 RMM: 4 -0.342412892872E+03 -0.11176E-02 -0.23015E-03 5144 0.120E-01 0.525E-01 RMM: 5 -0.342411134769E+03 0.17581E-02 -0.98515E-04 4611 0.847E-02 0.164E-01 RMM: 6 -0.342410975831E+03 0.15894E-03 -0.19837E-04 3895 0.363E-02 0.737E-02 RMM: 7 -0.342411012801E+03 -0.36970E-04 -0.73755E-05 3504 0.242E-02 0.113E-01 RMM: 8 -0.342410930260E+03 0.82541E-04 -0.37578E-05 3129 0.191E-02 0.238E-02 RMM: 9 -0.342410933810E+03 -0.35496E-05 -0.98395E-06 2479 0.877E-03 3134 T= 5940. E= 0.67615656E+03 F= 0.62701805E+03 E0= 0.65613889E+03 EK= 0.49139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341767431832E+03 0.64350E+00 -0.16268E-01 8460 0.229E+01 0.453E-01 RMM: 2 -0.341773680975E+03 -0.62491E-02 -0.68516E-02 5331 0.592E-01 0.791E-01 RMM: 3 -0.341770183245E+03 0.34977E-02 -0.68696E-03 5362 0.188E-01 0.417E-01 RMM: 4 -0.341771558530E+03 -0.13753E-02 -0.25983E-03 5173 0.128E-01 0.637E-01 RMM: 5 -0.341768962102E+03 0.25964E-02 -0.13877E-03 4608 0.101E-01 0.171E-01 RMM: 6 -0.341768839380E+03 0.12272E-03 -0.27902E-04 3921 0.429E-02 0.117E-01 RMM: 7 -0.341768839623E+03 -0.24361E-06 -0.11633E-04 3858 0.312E-02 3135 T= 5768. E= 0.67492434E+03 F= 0.62720887E+03 E0= 0.65630440E+03 EK= 0.47715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341134050912E+03 0.63479E+00 -0.16204E-01 8076 0.229E+01 0.448E-01 RMM: 2 -0.341141939374E+03 -0.78885E-02 -0.70440E-02 5188 0.613E-01 0.898E-01 RMM: 3 -0.341137053663E+03 0.48857E-02 -0.79378E-03 5395 0.202E-01 0.367E-01 RMM: 4 -0.341138618988E+03 -0.15653E-02 -0.26891E-03 5244 0.130E-01 0.625E-01 RMM: 5 -0.341136089642E+03 0.25293E-02 -0.13916E-03 4608 0.101E-01 0.166E-01 RMM: 6 -0.341136019706E+03 0.69936E-04 -0.29018E-04 3934 0.434E-02 0.142E-01 RMM: 7 -0.341136002889E+03 0.16817E-04 -0.13504E-04 3876 0.336E-02 3136 T= 5815. E= 0.67549922E+03 F= 0.62738965E+03 E0= 0.65645942E+03 EK= 0.48110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340502890457E+03 0.63313E+00 -0.17135E-01 8148 0.232E+01 0.405E-01 RMM: 2 -0.340513803987E+03 -0.10914E-01 -0.78683E-02 5095 0.655E-01 0.102E+00 RMM: 3 -0.340507047383E+03 0.67566E-02 -0.93347E-03 5397 0.217E-01 0.304E-01 RMM: 4 -0.340508391789E+03 -0.13444E-02 -0.23344E-03 5128 0.119E-01 0.562E-01 RMM: 5 -0.340506534949E+03 0.18568E-02 -0.11030E-03 4608 0.903E-02 0.214E-01 RMM: 6 -0.340506266258E+03 0.26869E-03 -0.36234E-04 3994 0.494E-02 0.956E-02 RMM: 7 -0.340506292792E+03 -0.26534E-04 -0.12247E-04 3857 0.331E-02 0.124E-01 RMM: 8 -0.340506192018E+03 0.10077E-03 -0.39248E-05 3126 0.196E-02 0.379E-02 RMM: 9 -0.340506193870E+03 -0.18529E-05 -0.19139E-05 2544 0.123E-02 3137 T= 6072. E= 0.67780332E+03 F= 0.62757478E+03 E0= 0.65661665E+03 EK= 0.50229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339827511034E+03 0.67868E+00 -0.18384E-01 8304 0.239E+01 0.324E-01 RMM: 2 -0.339837440074E+03 -0.99290E-02 -0.75643E-02 5260 0.624E-01 0.867E-01 RMM: 3 -0.339832162783E+03 0.52773E-02 -0.69040E-03 5419 0.180E-01 0.229E-01 RMM: 4 -0.339833098065E+03 -0.93528E-03 -0.17635E-03 4784 0.107E-01 0.472E-01 RMM: 5 -0.339831721063E+03 0.13770E-02 -0.90279E-04 4599 0.817E-02 0.130E-01 RMM: 6 -0.339831725922E+03 -0.48595E-05 -0.29354E-04 3911 0.440E-02 0.139E-01 RMM: 7 -0.339831654656E+03 0.71266E-04 -0.10504E-04 3752 0.322E-02 0.992E-02 RMM: 8 -0.339831590970E+03 0.63686E-04 -0.23333E-05 2702 0.151E-02 0.251E-02 RMM: 9 -0.339831592494E+03 -0.15234E-05 -0.99991E-06 2470 0.904E-03 3138 T= 6468. E= 0.68132802E+03 F= 0.62781817E+03 E0= 0.65683332E+03 EK= 0.53510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339026086924E+03 0.80550E+00 -0.19696E-01 8676 0.247E+01 0.351E-01 RMM: 2 -0.339036434085E+03 -0.10347E-01 -0.91968E-02 5260 0.705E-01 0.811E-01 RMM: 3 -0.339032058159E+03 0.43759E-02 -0.88297E-03 5681 0.191E-01 0.262E-01 RMM: 4 -0.339032605347E+03 -0.54719E-03 -0.18355E-03 4847 0.111E-01 0.439E-01 RMM: 5 -0.339031413008E+03 0.11923E-02 -0.11346E-03 4602 0.926E-02 0.164E-01 RMM: 6 -0.339031458680E+03 -0.45671E-04 -0.35479E-04 3960 0.484E-02 0.190E-01 RMM: 7 -0.339031302404E+03 0.15628E-03 -0.17877E-04 3883 0.415E-02 0.124E-01 RMM: 8 -0.339031206495E+03 0.95909E-04 -0.49685E-05 3283 0.209E-02 0.424E-02 RMM: 9 -0.339031209786E+03 -0.32912E-05 -0.24545E-05 2670 0.143E-02 3139 T= 6874. E= 0.68507240E+03 F= 0.62820275E+03 E0= 0.65719179E+03 EK= 0.56870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338016317804E+03 0.10149E+01 -0.20989E-01 8736 0.253E+01 0.321E-01 RMM: 2 -0.338029201607E+03 -0.12884E-01 -0.10272E-01 5308 0.738E-01 0.909E-01 RMM: 3 -0.338023513399E+03 0.56882E-02 -0.94762E-03 5737 0.194E-01 0.222E-01 RMM: 4 -0.338023792908E+03 -0.27951E-03 -0.16034E-03 4766 0.104E-01 0.369E-01 RMM: 5 -0.338022944606E+03 0.84830E-03 -0.95442E-04 4606 0.857E-02 0.143E-01 RMM: 6 -0.338023076374E+03 -0.13177E-03 -0.33831E-04 3903 0.470E-02 0.203E-01 RMM: 7 -0.338022870160E+03 0.20621E-03 -0.15707E-04 3875 0.394E-02 0.113E-01 RMM: 8 -0.338022787561E+03 0.82598E-04 -0.41707E-05 3137 0.193E-02 0.359E-02 RMM: 9 -0.338022792025E+03 -0.44631E-05 -0.18728E-05 2533 0.124E-02 3140 T= 7124. E= 0.68774284E+03 F= 0.62880821E+03 E0= 0.65777342E+03 EK= 0.58935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336759222140E+03 0.12636E+01 -0.21714E-01 8808 0.255E+01 0.350E-01 RMM: 2 -0.336773993208E+03 -0.14771E-01 -0.11102E-01 5357 0.746E-01 0.100E+00 RMM: 3 -0.336766690571E+03 0.73026E-02 -0.97627E-03 5646 0.203E-01 0.243E-01 RMM: 4 -0.336767205307E+03 -0.51474E-03 -0.20397E-03 4996 0.116E-01 0.419E-01 RMM: 5 -0.336766145052E+03 0.10603E-02 -0.10117E-03 4600 0.864E-02 0.171E-01 RMM: 6 -0.336766129681E+03 0.15371E-04 -0.33768E-04 3942 0.473E-02 0.169E-01 RMM: 7 -0.336766003496E+03 0.12619E-03 -0.16137E-04 3884 0.393E-02 0.112E-01 RMM: 8 -0.336765925389E+03 0.78107E-04 -0.40302E-05 3133 0.191E-02 0.376E-02 RMM: 9 -0.336765932221E+03 -0.68320E-05 -0.17623E-05 2533 0.119E-02 3141 T= 7099. E= 0.68839859E+03 F= 0.62966911E+03 E0= 0.65861276E+03 EK= 0.58729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335288119439E+03 0.14778E+01 -0.22059E-01 8820 0.251E+01 0.361E-01 RMM: 2 -0.335301512715E+03 -0.13393E-01 -0.11751E-01 5409 0.737E-01 0.850E-01 RMM: 3 -0.335295852045E+03 0.56607E-02 -0.90863E-03 5503 0.200E-01 0.262E-01 RMM: 4 -0.335296810567E+03 -0.95852E-03 -0.20243E-03 4983 0.115E-01 0.491E-01 RMM: 5 -0.335295272586E+03 0.15380E-02 -0.92078E-04 4600 0.815E-02 0.146E-01 RMM: 6 -0.335295266679E+03 0.59072E-05 -0.27881E-04 3900 0.423E-02 0.150E-01 RMM: 7 -0.335295190920E+03 0.75759E-04 -0.12764E-04 3860 0.343E-02 0.116E-01 RMM: 8 -0.335295103057E+03 0.87864E-04 -0.45716E-05 3227 0.202E-02 0.334E-02 RMM: 9 -0.335295109021E+03 -0.59644E-05 -0.16934E-05 2535 0.116E-02 3142 T= 6813. E= 0.68710298E+03 F= 0.63074419E+03 E0= 0.65966963E+03 EK= 0.56359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333711906800E+03 0.15832E+01 -0.21491E-01 8532 0.244E+01 0.401E-01 RMM: 2 -0.333726431894E+03 -0.14525E-01 -0.12788E-01 5316 0.776E-01 0.904E-01 RMM: 3 -0.333720150721E+03 0.62812E-02 -0.10652E-02 5585 0.218E-01 0.299E-01 RMM: 4 -0.333721266049E+03 -0.11153E-02 -0.23905E-03 5235 0.123E-01 0.530E-01 RMM: 5 -0.333719424762E+03 0.18413E-02 -0.10710E-03 4600 0.881E-02 0.141E-01 RMM: 6 -0.333719386588E+03 0.38174E-04 -0.24121E-04 3894 0.397E-02 0.128E-01 RMM: 7 -0.333719360840E+03 0.25748E-04 -0.10794E-04 3837 0.301E-02 0.122E-01 RMM: 8 -0.333719263706E+03 0.97134E-04 -0.46506E-05 3246 0.202E-02 0.322E-02 RMM: 9 -0.333719271497E+03 -0.77911E-05 -0.16239E-05 2527 0.114E-02 3143 T= 6400. E= 0.68486256E+03 F= 0.63191943E+03 E0= 0.66082918E+03 EK= 0.52943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332175414967E+03 0.15438E+01 -0.20302E-01 8724 0.236E+01 0.421E-01 RMM: 2 -0.332188434005E+03 -0.13019E-01 -0.11902E-01 5527 0.738E-01 0.875E-01 RMM: 3 -0.332182570149E+03 0.58639E-02 -0.88874E-03 5431 0.207E-01 0.337E-01 RMM: 4 -0.332183802741E+03 -0.12326E-02 -0.23463E-03 5112 0.120E-01 0.563E-01 RMM: 5 -0.332181766907E+03 0.20358E-02 -0.10610E-03 4612 0.875E-02 0.164E-01 RMM: 6 -0.332181639597E+03 0.12731E-03 -0.24474E-04 3905 0.400E-02 0.103E-01 RMM: 7 -0.332181673478E+03 -0.33882E-04 -0.10781E-04 3810 0.293E-02 0.132E-01 RMM: 8 -0.332181554941E+03 0.11854E-03 -0.57554E-05 3367 0.223E-02 0.327E-02 RMM: 9 -0.332181561072E+03 -0.61303E-05 -0.17216E-05 2537 0.117E-02 3144 T= 6030. E= 0.68293391E+03 F= 0.63305022E+03 E0= 0.66194644E+03 EK= 0.49884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330810653767E+03 0.13709E+01 -0.19931E-01 8760 0.230E+01 0.426E-01 RMM: 2 -0.330824888721E+03 -0.14235E-01 -0.12756E-01 5241 0.786E-01 0.914E-01 RMM: 3 -0.330818703338E+03 0.61854E-02 -0.11333E-02 5540 0.228E-01 0.338E-01 RMM: 4 -0.330819864861E+03 -0.11615E-02 -0.25871E-03 5263 0.126E-01 0.553E-01 RMM: 5 -0.330817838537E+03 0.20263E-02 -0.11420E-03 4609 0.912E-02 0.151E-01 RMM: 6 -0.330817734544E+03 0.10399E-03 -0.21830E-04 3910 0.377E-02 0.101E-01 RMM: 7 -0.330817757172E+03 -0.22628E-04 -0.11336E-04 3864 0.293E-02 0.125E-01 RMM: 8 -0.330817653473E+03 0.10370E-03 -0.55777E-05 3345 0.220E-02 0.378E-02 RMM: 9 -0.330817653766E+03 -0.29326E-06 -0.16319E-05 2532 0.116E-02 3145 T= 5830. E= 0.68223284E+03 F= 0.63400369E+03 E0= 0.66288734E+03 EK= 0.48229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329725099532E+03 0.10926E+01 -0.18917E-01 8892 0.228E+01 0.424E-01 RMM: 2 -0.329742456056E+03 -0.17357E-01 -0.11983E-01 5291 0.764E-01 0.118E+00 RMM: 3 -0.329732339986E+03 0.10116E-01 -0.11493E-02 5487 0.233E-01 0.291E-01 RMM: 4 -0.329733796062E+03 -0.14561E-02 -0.26479E-03 5235 0.125E-01 0.571E-01 RMM: 5 -0.329731775805E+03 0.20203E-02 -0.10781E-03 4610 0.885E-02 0.192E-01 RMM: 6 -0.329731565352E+03 0.21045E-03 -0.25707E-04 3901 0.413E-02 0.888E-02 RMM: 7 -0.329731622509E+03 -0.57157E-04 -0.11595E-04 3860 0.297E-02 0.134E-01 RMM: 8 -0.329731499384E+03 0.12313E-03 -0.59524E-05 3390 0.228E-02 0.329E-02 RMM: 9 -0.329731501986E+03 -0.26018E-05 -0.16204E-05 2530 0.115E-02 3146 T= 5863. E= 0.68318154E+03 F= 0.63468183E+03 E0= 0.66355377E+03 EK= 0.48500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328978178890E+03 0.75332E+00 -0.18818E-01 8748 0.230E+01 0.392E-01 RMM: 2 -0.328995664985E+03 -0.17486E-01 -0.12277E-01 5268 0.772E-01 0.114E+00 RMM: 3 -0.328986185201E+03 0.94798E-02 -0.11280E-02 5503 0.228E-01 0.292E-01 RMM: 4 -0.328986891092E+03 -0.70589E-03 -0.25149E-03 5203 0.123E-01 0.456E-01 RMM: 5 -0.328985628472E+03 0.12626E-02 -0.97686E-04 4604 0.843E-02 0.195E-01 RMM: 6 -0.328985406163E+03 0.22231E-03 -0.23800E-04 3906 0.401E-02 0.924E-02 RMM: 7 -0.328985459299E+03 -0.53136E-04 -0.13703E-04 3887 0.323E-02 0.133E-01 RMM: 8 -0.328985343762E+03 0.11554E-03 -0.61619E-05 3411 0.234E-02 0.450E-02 RMM: 9 -0.328985334761E+03 0.90007E-05 -0.13830E-05 2515 0.108E-02 3147 T= 6131. E= 0.68574565E+03 F= 0.63502913E+03 E0= 0.66388992E+03 EK= 0.50717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328587557038E+03 0.39779E+00 -0.19023E-01 8856 0.237E+01 0.376E-01 RMM: 2 -0.328605959391E+03 -0.18402E-01 -0.11469E-01 5422 0.751E-01 0.123E+00 RMM: 3 -0.328594995629E+03 0.10964E-01 -0.10670E-02 5488 0.225E-01 0.246E-01 RMM: 4 -0.328595753488E+03 -0.75786E-03 -0.19982E-03 4824 0.108E-01 0.448E-01 RMM: 5 -0.328594585348E+03 0.11681E-02 -0.90118E-04 4604 0.811E-02 0.194E-01 RMM: 6 -0.328594403852E+03 0.18150E-03 -0.29887E-04 3914 0.445E-02 0.111E-01 RMM: 7 -0.328594444710E+03 -0.40858E-04 -0.13677E-04 3886 0.341E-02 0.140E-01 RMM: 8 -0.328594311046E+03 0.13366E-03 -0.64556E-05 3453 0.239E-02 0.372E-02 RMM: 9 -0.328594308318E+03 0.27275E-05 -0.15760E-05 2527 0.117E-02 3148 T= 6570. E= 0.68938847E+03 F= 0.63503517E+03 E0= 0.66388562E+03 EK= 0.54353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328520597847E+03 0.73713E-01 -0.19533E-01 8580 0.245E+01 0.355E-01 RMM: 2 -0.328541588181E+03 -0.20990E-01 -0.12681E-01 5313 0.805E-01 0.130E+00 RMM: 3 -0.328529571138E+03 0.12017E-01 -0.12014E-02 5559 0.232E-01 0.274E-01 RMM: 4 -0.328529500762E+03 0.70376E-04 -0.19363E-03 4815 0.106E-01 0.309E-01 RMM: 5 -0.328529010378E+03 0.49038E-03 -0.91464E-04 4601 0.840E-02 0.194E-01 RMM: 6 -0.328528838310E+03 0.17207E-03 -0.27704E-04 3911 0.432E-02 0.123E-01 RMM: 7 -0.328528851632E+03 -0.13322E-04 -0.16871E-04 3887 0.381E-02 3149 T= 7039. E= 0.69296464E+03 F= 0.63473023E+03 E0= 0.66357184E+03 EK= 0.58234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328719205437E+03 -0.19037E+00 -0.19449E-01 8328 0.252E+01 0.371E-01 RMM: 2 -0.328738204973E+03 -0.19000E-01 -0.12422E-01 5412 0.806E-01 0.121E+00 RMM: 3 -0.328727920993E+03 0.10284E-01 -0.11355E-02 5569 0.223E-01 0.276E-01 RMM: 4 -0.328728159121E+03 -0.23813E-03 -0.20100E-03 4829 0.111E-01 0.386E-01 RMM: 5 -0.328727337993E+03 0.82113E-03 -0.11363E-03 4610 0.930E-02 0.212E-01 RMM: 6 -0.328727227738E+03 0.11026E-03 -0.42880E-04 4275 0.531E-02 0.174E-01 RMM: 7 -0.328727103546E+03 0.12419E-03 -0.22482E-04 3897 0.454E-02 0.123E-01 RMM: 8 -0.328727009375E+03 0.94171E-04 -0.68374E-05 3470 0.249E-02 0.467E-02 RMM: 9 -0.328727017672E+03 -0.82975E-05 -0.27356E-05 2728 0.151E-02 3150 T= 7343. E= 0.69491595E+03 F= 0.63417252E+03 E0= 0.66300790E+03 EK= 0.60743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329105873975E+03 -0.37886E+00 -0.19480E-01 7968 0.255E+01 0.351E-01 RMM: 2 -0.329131236728E+03 -0.25363E-01 -0.14104E-01 5212 0.879E-01 0.147E+00 RMM: 3 -0.329116313576E+03 0.14923E-01 -0.14975E-02 5544 0.262E-01 0.250E-01 RMM: 4 -0.329116250189E+03 0.63387E-04 -0.17544E-03 4841 0.961E-02 0.288E-01 RMM: 5 -0.329115783222E+03 0.46697E-03 -0.75352E-04 4610 0.763E-02 0.165E-01 RMM: 6 -0.329115677480E+03 0.10574E-03 -0.28742E-04 3926 0.439E-02 0.117E-01 RMM: 7 -0.329115711781E+03 -0.34301E-04 -0.13167E-04 3867 0.328E-02 0.140E-01 RMM: 8 -0.329115581528E+03 0.13025E-03 -0.60062E-05 3428 0.231E-02 0.359E-02 RMM: 9 -0.329115575493E+03 0.60354E-05 -0.94940E-06 2488 0.901E-03 3151 T= 7330. E= 0.69406834E+03 F= 0.63342812E+03 E0= 0.66226030E+03 EK= 0.60640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329624289698E+03 -0.50871E+00 -0.18519E-01 7584 0.252E+01 0.382E-01 RMM: 2 -0.329639594427E+03 -0.15305E-01 -0.11869E-01 5260 0.807E-01 0.102E+00 RMM: 3 -0.329632396091E+03 0.71983E-02 -0.11755E-02 5650 0.221E-01 0.284E-01 RMM: 4 -0.329632827418E+03 -0.43133E-03 -0.22267E-03 5018 0.118E-01 0.430E-01 RMM: 5 -0.329631769343E+03 0.10581E-02 -0.11143E-03 4614 0.913E-02 0.212E-01 RMM: 6 -0.329631576035E+03 0.19331E-03 -0.34131E-04 3975 0.477E-02 0.135E-01 RMM: 7 -0.329631580340E+03 -0.43053E-05 -0.17986E-04 3885 0.399E-02 3152 T= 7006. E= 0.69050766E+03 F= 0.63255163E+03 E0= 0.66138475E+03 EK= 0.57956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330229372462E+03 -0.59780E+00 -0.17880E-01 7332 0.245E+01 0.414E-01 RMM: 2 -0.330245141821E+03 -0.15769E-01 -0.11858E-01 5121 0.826E-01 0.110E+00 RMM: 3 -0.330237125645E+03 0.80162E-02 -0.12716E-02 5528 0.239E-01 0.308E-01 RMM: 4 -0.330237839662E+03 -0.71402E-03 -0.25104E-03 5247 0.124E-01 0.486E-01 RMM: 5 -0.330236342311E+03 0.14974E-02 -0.12492E-03 4612 0.965E-02 0.170E-01 RMM: 6 -0.330236294384E+03 0.47927E-04 -0.34619E-04 3958 0.481E-02 0.156E-01 RMM: 7 -0.330236246639E+03 0.47746E-04 -0.16333E-04 3883 0.384E-02 0.141E-01 RMM: 8 -0.330236115476E+03 0.13116E-03 -0.68765E-05 3480 0.245E-02 0.412E-02 RMM: 9 -0.330236126673E+03 -0.11197E-04 -0.23586E-05 2640 0.139E-02 3153 T= 6522. E= 0.68553073E+03 F= 0.63157499E+03 E0= 0.66041353E+03 EK= 0.53956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330904975946E+03 -0.66886E+00 -0.16412E-01 7440 0.237E+01 0.357E-01 RMM: 2 -0.330917771790E+03 -0.12796E-01 -0.92423E-02 5167 0.723E-01 0.100E+00 RMM: 3 -0.330910859181E+03 0.69126E-02 -0.98543E-03 5447 0.213E-01 0.243E-01 RMM: 4 -0.330911817104E+03 -0.95792E-03 -0.19361E-03 4936 0.109E-01 0.472E-01 RMM: 5 -0.330910440753E+03 0.13764E-02 -0.84807E-04 4606 0.787E-02 0.161E-01 RMM: 6 -0.330910306597E+03 0.13416E-03 -0.23027E-04 3902 0.395E-02 0.878E-02 RMM: 7 -0.330910338795E+03 -0.32198E-04 -0.83639E-05 3608 0.267E-02 0.115E-01 RMM: 8 -0.330910248727E+03 0.90068E-04 -0.39070E-05 3141 0.196E-02 0.255E-02 RMM: 9 -0.330910248310E+03 0.41713E-06 -0.88152E-06 2473 0.845E-03 3154 T= 6070. E= 0.68073192E+03 F= 0.63051371E+03 E0= 0.65936189E+03 EK= 0.50218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331632600170E+03 -0.72235E+00 -0.15249E-01 7500 0.231E+01 0.415E-01 RMM: 2 -0.331644192601E+03 -0.11592E-01 -0.86514E-02 5149 0.707E-01 0.102E+00 RMM: 3 -0.331637410949E+03 0.67817E-02 -0.97631E-03 5421 0.215E-01 0.305E-01 RMM: 4 -0.331638507941E+03 -0.10970E-02 -0.25880E-03 5253 0.126E-01 0.530E-01 RMM: 5 -0.331636755432E+03 0.17525E-02 -0.12333E-03 4608 0.960E-02 0.192E-01 RMM: 6 -0.331636570957E+03 0.18448E-03 -0.27978E-04 3911 0.434E-02 0.114E-01 RMM: 7 -0.331636574032E+03 -0.30755E-05 -0.13522E-04 3882 0.343E-02 3155 T= 5785. E= 0.67724345E+03 F= 0.62938641E+03 E0= 0.65824879E+03 EK= 0.47857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332379361177E+03 -0.74279E+00 -0.15140E-01 7824 0.229E+01 0.400E-01 RMM: 2 -0.332388095316E+03 -0.87341E-02 -0.77429E-02 5167 0.667E-01 0.830E-01 RMM: 3 -0.332383685119E+03 0.44102E-02 -0.81208E-03 5453 0.195E-01 0.311E-01 RMM: 4 -0.332384760561E+03 -0.10754E-02 -0.24632E-03 5181 0.127E-01 0.532E-01 RMM: 5 -0.332382933179E+03 0.18274E-02 -0.12682E-03 4608 0.969E-02 0.161E-01 RMM: 6 -0.332382916540E+03 0.16639E-04 -0.32710E-04 3932 0.467E-02 0.165E-01 RMM: 7 -0.332382810793E+03 0.10575E-03 -0.16931E-04 3875 0.406E-02 0.122E-01 RMM: 8 -0.332382716012E+03 0.94781E-04 -0.57713E-05 3369 0.226E-02 0.413E-02 RMM: 9 -0.332382731610E+03 -0.15598E-04 -0.26862E-05 2765 0.148E-02 3156 T= 5725. E= 0.67558809E+03 F= 0.62823089E+03 E0= 0.65711031E+03 EK= 0.47357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333088323935E+03 -0.70561E+00 -0.15386E-01 8208 0.230E+01 0.318E-01 RMM: 2 -0.333098612905E+03 -0.10289E-01 -0.73083E-02 5206 0.639E-01 0.917E-01 RMM: 3 -0.333092825170E+03 0.57877E-02 -0.73581E-03 5479 0.185E-01 0.216E-01 RMM: 4 -0.333093466314E+03 -0.64114E-03 -0.15472E-03 4761 0.994E-02 0.404E-01 RMM: 5 -0.333092466380E+03 0.99993E-03 -0.84515E-04 4604 0.811E-02 0.157E-01 RMM: 6 -0.333092377281E+03 0.89099E-04 -0.26794E-04 3900 0.426E-02 0.114E-01 RMM: 7 -0.333092371551E+03 0.57303E-05 -0.10825E-04 3843 0.318E-02 3157 T= 5888. E= 0.67582318E+03 F= 0.62711116E+03 E0= 0.65601133E+03 EK= 0.48712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333673545202E+03 -0.58117E+00 -0.16279E-01 8604 0.236E+01 0.373E-01 RMM: 2 -0.333681155341E+03 -0.76101E-02 -0.76406E-02 5333 0.660E-01 0.720E-01 RMM: 3 -0.333677919524E+03 0.32358E-02 -0.73814E-03 5671 0.178E-01 0.281E-01 RMM: 4 -0.333678685093E+03 -0.76557E-03 -0.20858E-03 4968 0.121E-01 0.489E-01 RMM: 5 -0.333677149658E+03 0.15354E-02 -0.13135E-03 4608 0.990E-02 0.146E-01 RMM: 6 -0.333677325541E+03 -0.17588E-03 -0.40918E-04 4161 0.530E-02 0.228E-01 RMM: 7 -0.333677029802E+03 0.29574E-03 -0.22831E-04 3872 0.471E-02 0.106E-01 RMM: 8 -0.333676961320E+03 0.68482E-04 -0.49340E-05 3279 0.210E-02 0.456E-02 RMM: 9 -0.333676970816E+03 -0.94959E-05 -0.32490E-05 2775 0.166E-02 3158 T= 6225. E= 0.67761637E+03 F= 0.62612292E+03 E0= 0.65504472E+03 EK= 0.51493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334016178282E+03 -0.33922E+00 -0.17821E-01 8604 0.243E+01 0.269E-01 RMM: 2 -0.334027649817E+03 -0.11472E-01 -0.87486E-02 5288 0.701E-01 0.860E-01 RMM: 3 -0.334022491155E+03 0.51587E-02 -0.83224E-03 5762 0.180E-01 0.193E-01 RMM: 4 -0.334022492530E+03 -0.13751E-05 -0.10403E-03 4662 0.828E-02 0.275E-01 RMM: 5 -0.334022042185E+03 0.45034E-03 -0.70698E-04 4600 0.756E-02 0.138E-01 RMM: 6 -0.334022108416E+03 -0.66230E-04 -0.31011E-04 3898 0.455E-02 0.173E-01 RMM: 7 -0.334021984043E+03 0.12437E-03 -0.13149E-04 3876 0.356E-02 0.115E-01 RMM: 8 -0.334021896415E+03 0.87627E-04 -0.39240E-05 3142 0.186E-02 0.284E-02 RMM: 9 -0.334021897522E+03 -0.11063E-05 -0.12455E-05 2492 0.103E-02 3159 T= 6626. E= 0.68020301E+03 F= 0.62538508E+03 E0= 0.65432704E+03 EK= 0.54818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334007592060E+03 0.14304E-01 -0.19813E-01 8304 0.250E+01 0.318E-01 RMM: 2 -0.334016961183E+03 -0.93691E-02 -0.91052E-02 5316 0.696E-01 0.684E-01 RMM: 3 -0.334013642352E+03 0.33188E-02 -0.80637E-03 5845 0.177E-01 0.238E-01 RMM: 4 -0.334013890985E+03 -0.24863E-03 -0.16335E-03 4748 0.109E-01 0.379E-01 RMM: 5 -0.334013046499E+03 0.84449E-03 -0.98539E-04 4610 0.862E-02 0.167E-01 RMM: 6 -0.334013120305E+03 -0.73807E-04 -0.39525E-04 4029 0.516E-02 0.202E-01 RMM: 7 -0.334012903914E+03 0.21639E-03 -0.20771E-04 3876 0.453E-02 0.109E-01 RMM: 8 -0.334012828870E+03 0.75044E-04 -0.44600E-05 3207 0.200E-02 0.397E-02 RMM: 9 -0.334012832319E+03 -0.34492E-05 -0.25655E-05 2600 0.149E-02 3160 T= 6944. E= 0.68245451E+03 F= 0.62501214E+03 E0= 0.65397051E+03 EK= 0.57442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333579054057E+03 0.43377E+00 -0.20814E-01 8196 0.253E+01 0.298E-01 RMM: 2 -0.333591201644E+03 -0.12148E-01 -0.97437E-02 5249 0.704E-01 0.848E-01 RMM: 3 -0.333585739304E+03 0.54623E-02 -0.87587E-03 5742 0.189E-01 0.211E-01 RMM: 4 -0.333586049300E+03 -0.31000E-03 -0.14631E-03 4810 0.993E-02 0.363E-01 RMM: 5 -0.333585251715E+03 0.79759E-03 -0.80790E-04 4608 0.785E-02 0.138E-01 RMM: 6 -0.333585333273E+03 -0.81559E-04 -0.30709E-04 3898 0.452E-02 0.181E-01 RMM: 7 -0.333585168377E+03 0.16490E-03 -0.14663E-04 3884 0.378E-02 0.104E-01 RMM: 8 -0.333585099182E+03 0.69195E-04 -0.37052E-05 3088 0.183E-02 0.346E-02 RMM: 9 -0.333585102138E+03 -0.29565E-05 -0.16711E-05 2522 0.118E-02 3161 T= 7040. E= 0.68330536E+03 F= 0.62506542E+03 E0= 0.65403176E+03 EK= 0.58240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332758802071E+03 0.82630E+00 -0.21114E-01 8256 0.252E+01 0.354E-01 RMM: 2 -0.332770256118E+03 -0.11454E-01 -0.10260E-01 5301 0.706E-01 0.808E-01 RMM: 3 -0.332765216042E+03 0.50401E-02 -0.88173E-03 5588 0.199E-01 0.270E-01 RMM: 4 -0.332765962597E+03 -0.74655E-03 -0.19150E-03 5024 0.111E-01 0.454E-01 RMM: 5 -0.332764677965E+03 0.12846E-02 -0.82931E-04 4604 0.778E-02 0.173E-01 RMM: 6 -0.332764554639E+03 0.12333E-03 -0.27788E-04 3906 0.431E-02 0.118E-01 RMM: 7 -0.332764551404E+03 0.32351E-05 -0.12075E-04 3875 0.328E-02 3162 T= 6876. E= 0.68239532E+03 F= 0.62551385E+03 E0= 0.65447835E+03 EK= 0.56881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331663834631E+03 0.11007E+01 -0.20854E-01 7956 0.246E+01 0.424E-01 RMM: 2 -0.331675587251E+03 -0.11753E-01 -0.11807E-01 5192 0.779E-01 0.780E-01 RMM: 3 -0.331671487817E+03 0.40994E-02 -0.11891E-02 5482 0.233E-01 0.372E-01 RMM: 4 -0.331672535699E+03 -0.10479E-02 -0.22709E-03 5164 0.117E-01 0.564E-01 RMM: 5 -0.331670370103E+03 0.21656E-02 -0.12005E-03 4615 0.933E-02 0.136E-01 RMM: 6 -0.331670388221E+03 -0.18118E-04 -0.29863E-04 3914 0.442E-02 0.155E-01 RMM: 7 -0.331670304783E+03 0.83438E-04 -0.12608E-04 3888 0.327E-02 0.120E-01 RMM: 8 -0.331670209076E+03 0.95707E-04 -0.50299E-05 3292 0.206E-02 0.400E-02 RMM: 9 -0.331670220846E+03 -0.11770E-04 -0.26442E-05 2746 0.145E-02 3163 T= 6537. E= 0.68030840E+03 F= 0.62623363E+03 E0= 0.65518603E+03 EK= 0.54075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330467145636E+03 0.12031E+01 -0.19367E-01 7860 0.238E+01 0.386E-01 RMM: 2 -0.330480322939E+03 -0.13177E-01 -0.10316E-01 5336 0.728E-01 0.997E-01 RMM: 3 -0.330473318972E+03 0.70040E-02 -0.96730E-03 5528 0.213E-01 0.290E-01 RMM: 4 -0.330474413982E+03 -0.10950E-02 -0.21410E-03 5067 0.112E-01 0.509E-01 RMM: 5 -0.330472779567E+03 0.16344E-02 -0.83086E-04 4603 0.777E-02 0.168E-01 RMM: 6 -0.330472602502E+03 0.17707E-03 -0.21074E-04 3893 0.380E-02 0.661E-02 RMM: 7 -0.330472649136E+03 -0.46634E-04 -0.67650E-05 3456 0.232E-02 0.111E-01 RMM: 8 -0.330472567253E+03 0.81883E-04 -0.36220E-05 3042 0.190E-02 0.294E-02 RMM: 9 -0.330472566292E+03 0.96122E-06 -0.11324E-05 2483 0.957E-03 3164 T= 6174. E= 0.67813108E+03 F= 0.62705204E+03 E0= 0.65598338E+03 EK= 0.51079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329326158184E+03 0.11464E+01 -0.18469E-01 7644 0.232E+01 0.429E-01 RMM: 2 -0.329337949780E+03 -0.11792E-01 -0.95522E-02 5264 0.717E-01 0.985E-01 RMM: 3 -0.329331482520E+03 0.64673E-02 -0.98821E-03 5474 0.216E-01 0.334E-01 RMM: 4 -0.329332590648E+03 -0.11081E-02 -0.26554E-03 5293 0.127E-01 0.540E-01 RMM: 5 -0.329330728596E+03 0.18621E-02 -0.11275E-03 4613 0.914E-02 0.187E-01 RMM: 6 -0.329330523769E+03 0.20483E-03 -0.23564E-04 3918 0.401E-02 0.917E-02 RMM: 7 -0.329330576015E+03 -0.52246E-04 -0.12230E-04 3880 0.302E-02 0.136E-01 RMM: 8 -0.329330453202E+03 0.12281E-03 -0.60056E-05 3389 0.231E-02 0.403E-02 RMM: 9 -0.329330450536E+03 0.26661E-05 -0.18399E-05 2549 0.123E-02 3165 T= 5926. E= 0.67683366E+03 F= 0.62781148E+03 E0= 0.65671507E+03 EK= 0.49022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328346748893E+03 0.98370E+00 -0.17492E-01 7692 0.229E+01 0.409E-01 RMM: 2 -0.328363572012E+03 -0.16823E-01 -0.83603E-02 5283 0.664E-01 0.135E+00 RMM: 3 -0.328350981850E+03 0.12590E-01 -0.93746E-03 5419 0.220E-01 0.263E-01 RMM: 4 -0.328352213965E+03 -0.12321E-02 -0.24196E-03 5149 0.120E-01 0.520E-01 RMM: 5 -0.328350572460E+03 0.16415E-02 -0.89385E-04 4612 0.808E-02 0.192E-01 RMM: 6 -0.328350353741E+03 0.21872E-03 -0.25459E-04 3901 0.417E-02 0.875E-02 RMM: 7 -0.328350415190E+03 -0.61449E-04 -0.10940E-04 3860 0.292E-02 0.135E-01 RMM: 8 -0.328350290552E+03 0.12464E-03 -0.55551E-05 3366 0.225E-02 0.332E-02 RMM: 9 -0.328350290262E+03 0.29030E-06 -0.13623E-05 2517 0.105E-02 3166 T= 5870. E= 0.67697220E+03 F= 0.62840998E+03 E0= 0.65728169E+03 EK= 0.48562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327571590037E+03 0.77870E+00 -0.17351E-01 8304 0.229E+01 0.368E-01 RMM: 2 -0.327585931179E+03 -0.14341E-01 -0.79839E-02 5426 0.625E-01 0.117E+00 RMM: 3 -0.327575957129E+03 0.99740E-02 -0.79464E-03 5383 0.202E-01 0.267E-01 RMM: 4 -0.327576552098E+03 -0.59497E-03 -0.20928E-03 4970 0.112E-01 0.415E-01 RMM: 5 -0.327575607715E+03 0.94438E-03 -0.82372E-04 4604 0.785E-02 0.221E-01 RMM: 6 -0.327575309885E+03 0.29783E-03 -0.26533E-04 3897 0.428E-02 0.857E-02 RMM: 7 -0.327575356751E+03 -0.46866E-04 -0.11860E-04 3880 0.316E-02 0.127E-01 RMM: 8 -0.327575250181E+03 0.10657E-03 -0.49450E-05 3308 0.214E-02 0.338E-02 RMM: 9 -0.327575249621E+03 0.56032E-06 -0.13073E-05 2508 0.103E-02 3167 T= 6027. E= 0.67867219E+03 F= 0.62881024E+03 E0= 0.65764753E+03 EK= 0.49862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326988773709E+03 0.58648E+00 -0.18503E-01 8832 0.234E+01 0.346E-01 RMM: 2 -0.327005323168E+03 -0.16549E-01 -0.97493E-02 5374 0.689E-01 0.119E+00 RMM: 3 -0.326995167041E+03 0.10156E-01 -0.94129E-03 5506 0.209E-01 0.258E-01 RMM: 4 -0.326995403654E+03 -0.23661E-03 -0.17162E-03 4714 0.993E-02 0.358E-01 RMM: 5 -0.326994678064E+03 0.72559E-03 -0.82608E-04 4607 0.793E-02 0.184E-01 RMM: 6 -0.326994548482E+03 0.12958E-03 -0.31566E-04 3930 0.467E-02 0.129E-01 RMM: 7 -0.326994556175E+03 -0.76929E-05 -0.14308E-04 3885 0.361E-02 3168 T= 6359. E= 0.68163290E+03 F= 0.62902811E+03 E0= 0.65782935E+03 EK= 0.52605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326557259929E+03 0.43729E+00 -0.20229E-01 9036 0.240E+01 0.341E-01 RMM: 2 -0.326571055924E+03 -0.13796E-01 -0.10849E-01 5545 0.714E-01 0.933E-01 RMM: 3 -0.326564650587E+03 0.64053E-02 -0.86108E-03 5581 0.194E-01 0.277E-01 RMM: 4 -0.326564702525E+03 -0.51938E-04 -0.16169E-03 4650 0.996E-02 0.341E-01 RMM: 5 -0.326564024171E+03 0.67835E-03 -0.10432E-03 4615 0.900E-02 0.185E-01 RMM: 6 -0.326564004594E+03 0.19577E-04 -0.36456E-04 3963 0.497E-02 0.182E-01 RMM: 7 -0.326563911740E+03 0.92854E-04 -0.23293E-04 3888 0.461E-02 0.148E-01 RMM: 8 -0.326563770339E+03 0.14140E-03 -0.88779E-05 3633 0.278E-02 0.471E-02 RMM: 9 -0.326563776442E+03 -0.61034E-05 -0.23631E-05 2623 0.140E-02 3169 T= 6764. E= 0.68506659E+03 F= 0.62911030E+03 E0= 0.65787687E+03 EK= 0.55956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326213610006E+03 0.35016E+00 -0.22577E-01 9000 0.246E+01 0.261E-01 RMM: 2 -0.326230462723E+03 -0.16853E-01 -0.12982E-01 5417 0.766E-01 0.936E-01 RMM: 3 -0.326223591850E+03 0.68709E-02 -0.10491E-02 5761 0.200E-01 0.203E-01 RMM: 4 -0.326223505539E+03 0.86311E-04 -0.10993E-03 4666 0.790E-02 0.250E-01 RMM: 5 -0.326223097494E+03 0.40805E-03 -0.52171E-04 4602 0.640E-02 0.118E-01 RMM: 6 -0.326223149145E+03 -0.51651E-04 -0.27712E-04 3906 0.433E-02 0.150E-01 RMM: 7 -0.326223075695E+03 0.73450E-04 -0.10195E-04 3762 0.307E-02 0.114E-01 RMM: 8 -0.326222990335E+03 0.85360E-04 -0.33309E-05 3011 0.174E-02 0.278E-02 RMM: 9 -0.326222989189E+03 0.11458E-05 -0.10702E-05 2477 0.924E-03 3170 T= 7090. E= 0.68776706E+03 F= 0.62911544E+03 E0= 0.65784731E+03 EK= 0.58652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325910391923E+03 0.31260E+00 -0.22918E-01 9132 0.249E+01 0.317E-01 RMM: 2 -0.325925703420E+03 -0.15311E-01 -0.13068E-01 5522 0.764E-01 0.870E-01 RMM: 3 -0.325919706010E+03 0.59974E-02 -0.10224E-02 5816 0.201E-01 0.234E-01 RMM: 4 -0.325919869340E+03 -0.16333E-03 -0.14803E-03 4687 0.965E-02 0.340E-01 RMM: 5 -0.325919130593E+03 0.73875E-03 -0.81990E-04 4612 0.781E-02 0.153E-01 RMM: 6 -0.325919204774E+03 -0.74180E-04 -0.34324E-04 3914 0.475E-02 0.190E-01 RMM: 7 -0.325919051561E+03 0.15321E-03 -0.17618E-04 3884 0.409E-02 0.126E-01 RMM: 8 -0.325918950849E+03 0.10071E-03 -0.48482E-05 3270 0.206E-02 0.388E-02 RMM: 9 -0.325918954246E+03 -0.33979E-05 -0.25948E-05 2588 0.149E-02 3171 T= 7190. E= 0.68857597E+03 F= 0.62909237E+03 E0= 0.65778979E+03 EK= 0.59484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325620283003E+03 0.29867E+00 -0.23228E-01 8988 0.247E+01 0.303E-01 RMM: 2 -0.325636947127E+03 -0.16664E-01 -0.13742E-01 5504 0.764E-01 0.899E-01 RMM: 3 -0.325630103944E+03 0.68432E-02 -0.98054E-03 5824 0.198E-01 0.224E-01 RMM: 4 -0.325630265577E+03 -0.16163E-03 -0.14734E-03 4732 0.941E-02 0.324E-01 RMM: 5 -0.325629628753E+03 0.63682E-03 -0.67556E-04 4604 0.708E-02 0.146E-01 RMM: 6 -0.325629589819E+03 0.38935E-04 -0.24043E-04 3888 0.398E-02 0.131E-01 RMM: 7 -0.325629575269E+03 0.14550E-04 -0.11629E-04 3875 0.323E-02 3172 T= 7017. E= 0.68710319E+03 F= 0.62905726E+03 E0= 0.65772057E+03 EK= 0.58046E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325371697515E+03 0.25789E+00 -0.22780E-01 8928 0.242E+01 0.388E-01 RMM: 2 -0.325387327670E+03 -0.15630E-01 -0.13172E-01 5680 0.742E-01 0.934E-01 RMM: 3 -0.325380157213E+03 0.71705E-02 -0.87007E-03 5463 0.199E-01 0.298E-01 RMM: 4 -0.325381171453E+03 -0.10142E-02 -0.22772E-03 5010 0.118E-01 0.510E-01 RMM: 5 -0.325379482477E+03 0.16890E-02 -0.10234E-03 4605 0.853E-02 0.157E-01 RMM: 6 -0.325379422531E+03 0.59945E-04 -0.26448E-04 3889 0.413E-02 0.134E-01 RMM: 7 -0.325379396541E+03 0.25991E-04 -0.13923E-04 3888 0.338E-02 0.130E-01 RMM: 8 -0.325379284977E+03 0.11156E-03 -0.60971E-05 3426 0.229E-02 0.333E-02 RMM: 9 -0.325379295692E+03 -0.10715E-04 -0.20860E-05 2573 0.129E-02 3173 T= 6653. E= 0.68401537E+03 F= 0.62898023E+03 E0= 0.65761181E+03 EK= 0.55035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325222901210E+03 0.15638E+00 -0.21451E-01 8892 0.235E+01 0.327E-01 RMM: 2 -0.325240026263E+03 -0.17125E-01 -0.14072E-01 5393 0.790E-01 0.924E-01 RMM: 3 -0.325233058816E+03 0.69674E-02 -0.11306E-02 5644 0.215E-01 0.232E-01 RMM: 4 -0.325233647158E+03 -0.58834E-03 -0.18745E-03 4908 0.105E-01 0.401E-01 RMM: 5 -0.325232625424E+03 0.10217E-02 -0.66536E-04 4584 0.682E-02 0.135E-01 RMM: 6 -0.325232521447E+03 0.10398E-03 -0.14000E-04 3880 0.303E-02 0.667E-02 RMM: 7 -0.325232569478E+03 -0.48031E-04 -0.63880E-05 3437 0.220E-02 0.111E-01 RMM: 8 -0.325232487007E+03 0.82471E-04 -0.37115E-05 3061 0.192E-02 0.243E-02 RMM: 9 -0.325232487226E+03 -0.21909E-06 -0.89557E-06 2479 0.820E-03 3174 T= 6257. E= 0.68055300E+03 F= 0.62879373E+03 E0= 0.65739493E+03 EK= 0.51759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325261983108E+03 -0.29496E-01 -0.18935E-01 8952 0.228E+01 0.391E-01 RMM: 2 -0.325275120600E+03 -0.13137E-01 -0.11592E-01 5549 0.717E-01 0.868E-01 RMM: 3 -0.325269361933E+03 0.57587E-02 -0.87985E-03 5516 0.196E-01 0.304E-01 RMM: 4 -0.325270367956E+03 -0.10060E-02 -0.22038E-03 4942 0.115E-01 0.511E-01 RMM: 5 -0.325268666982E+03 0.17010E-02 -0.96781E-04 4603 0.829E-02 0.147E-01 RMM: 6 -0.325268559881E+03 0.10710E-03 -0.17800E-04 3884 0.338E-02 0.909E-02 RMM: 7 -0.325268581007E+03 -0.21126E-04 -0.10191E-04 3841 0.274E-02 0.116E-01 RMM: 8 -0.325268489980E+03 0.91027E-04 -0.52312E-05 3297 0.215E-02 0.332E-02 RMM: 9 -0.325268493989E+03 -0.40091E-05 -0.16317E-05 2539 0.115E-02 3175 T= 5972. E= 0.67782305E+03 F= 0.62841853E+03 E0= 0.65699185E+03 EK= 0.49405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325548412376E+03 -0.27992E+00 -0.17493E-01 8640 0.224E+01 0.365E-01 RMM: 2 -0.325561530247E+03 -0.13118E-01 -0.10866E-01 5238 0.719E-01 0.894E-01 RMM: 3 -0.325555655722E+03 0.58745E-02 -0.10508E-02 5610 0.211E-01 0.258E-01 RMM: 4 -0.325556522831E+03 -0.86711E-03 -0.19687E-03 4914 0.108E-01 0.463E-01 RMM: 5 -0.325555112949E+03 0.14099E-02 -0.81241E-04 4605 0.757E-02 0.133E-01 RMM: 6 -0.325555022198E+03 0.90751E-04 -0.16052E-04 3882 0.323E-02 0.798E-02 RMM: 7 -0.325555053330E+03 -0.31131E-04 -0.71941E-05 3541 0.240E-02 0.113E-01 RMM: 8 -0.325554967197E+03 0.86133E-04 -0.40259E-05 3132 0.195E-02 0.285E-02 RMM: 9 -0.325554970075E+03 -0.28781E-05 -0.14124E-05 2506 0.106E-02 3176 T= 5883. E= 0.67645487E+03 F= 0.62779020E+03 E0= 0.65633919E+03 EK= 0.48665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326118493976E+03 -0.56353E+00 -0.16886E-01 8124 0.224E+01 0.333E-01 RMM: 2 -0.326132043674E+03 -0.13550E-01 -0.99695E-02 5137 0.696E-01 0.949E-01 RMM: 3 -0.326125321595E+03 0.67221E-02 -0.98671E-03 5570 0.203E-01 0.230E-01 RMM: 4 -0.326126091117E+03 -0.76952E-03 -0.18917E-03 4944 0.107E-01 0.430E-01 RMM: 5 -0.326124946786E+03 0.11443E-02 -0.74855E-04 4595 0.734E-02 0.157E-01 RMM: 6 -0.326124807359E+03 0.13943E-03 -0.17282E-04 3876 0.336E-02 0.764E-02 RMM: 7 -0.326124821863E+03 -0.14504E-04 -0.78418E-05 3612 0.263E-02 3177 T= 6010. E= 0.67659730E+03 F= 0.62688077E+03 E0= 0.65540741E+03 EK= 0.49717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326947301510E+03 -0.82249E+00 -0.16814E-01 8376 0.229E+01 0.321E-01 RMM: 2 -0.326957165002E+03 -0.98635E-02 -0.83948E-02 5264 0.641E-01 0.765E-01 RMM: 3 -0.326952876365E+03 0.42886E-02 -0.77131E-03 5619 0.178E-01 0.236E-01 RMM: 4 -0.326953427074E+03 -0.55071E-03 -0.16974E-03 4780 0.104E-01 0.399E-01 RMM: 5 -0.326952427463E+03 0.99961E-03 -0.84821E-04 4608 0.787E-02 0.144E-01 RMM: 6 -0.326952377051E+03 0.50412E-04 -0.20000E-04 3893 0.365E-02 0.123E-01 RMM: 7 -0.326952329942E+03 0.47109E-04 -0.13575E-04 3868 0.363E-02 0.103E-01 RMM: 8 -0.326952262435E+03 0.67506E-04 -0.44333E-05 3215 0.204E-02 0.363E-02 RMM: 9 -0.326952267151E+03 -0.47152E-05 -0.15863E-05 2530 0.116E-02 3178 T= 6315. E= 0.67796604E+03 F= 0.62572064E+03 E0= 0.65422735E+03 EK= 0.52245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327936680001E+03 -0.98442E+00 -0.17842E-01 8160 0.236E+01 0.243E-01 RMM: 2 -0.327948309310E+03 -0.11629E-01 -0.92391E-02 5112 0.689E-01 0.782E-01 RMM: 3 -0.327943842014E+03 0.44673E-02 -0.92561E-03 5777 0.186E-01 0.169E-01 RMM: 4 -0.327943935971E+03 -0.93957E-04 -0.96288E-04 4660 0.776E-02 0.269E-01 RMM: 5 -0.327943473863E+03 0.46211E-03 -0.59586E-04 4590 0.696E-02 0.107E-01 RMM: 6 -0.327943537648E+03 -0.63785E-04 -0.20657E-04 3880 0.372E-02 0.147E-01 RMM: 7 -0.327943430374E+03 0.10727E-03 -0.97098E-05 3772 0.312E-02 0.825E-02 RMM: 8 -0.327943384792E+03 0.45582E-04 -0.23355E-05 2795 0.150E-02 0.237E-02 RMM: 9 -0.327943385214E+03 -0.42201E-06 -0.88630E-06 2464 0.887E-03 3179 T= 6699. E= 0.67982098E+03 F= 0.62440617E+03 E0= 0.65289340E+03 EK= 0.55415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328946297456E+03 -0.10029E+01 -0.18958E-01 8364 0.243E+01 0.262E-01 RMM: 2 -0.328956539270E+03 -0.10242E-01 -0.94632E-02 5256 0.703E-01 0.649E-01 RMM: 3 -0.328953523755E+03 0.30155E-02 -0.91119E-03 5943 0.175E-01 0.203E-01 RMM: 4 -0.328953392033E+03 0.13172E-03 -0.10233E-03 4679 0.843E-02 0.259E-01 RMM: 5 -0.328952955875E+03 0.43616E-03 -0.84823E-04 4601 0.826E-02 0.117E-01 RMM: 6 -0.328953184047E+03 -0.22817E-03 -0.30411E-04 3908 0.457E-02 0.218E-01 RMM: 7 -0.328952877270E+03 0.30678E-03 -0.15718E-04 3872 0.401E-02 0.720E-02 RMM: 8 -0.328952848284E+03 0.28986E-04 -0.26224E-05 2822 0.153E-02 0.415E-02 RMM: 9 -0.328952847246E+03 0.10381E-05 -0.23520E-05 2530 0.146E-02 3180 T= 7007. E= 0.68104885E+03 F= 0.62308200E+03 E0= 0.65155016E+03 EK= 0.57967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329819585410E+03 -0.86674E+00 -0.20041E-01 8448 0.247E+01 0.246E-01 RMM: 2 -0.329831692683E+03 -0.12107E-01 -0.10329E-01 5190 0.739E-01 0.747E-01 RMM: 3 -0.329827782272E+03 0.39104E-02 -0.10406E-02 5951 0.189E-01 0.197E-01 RMM: 4 -0.329827535644E+03 0.24663E-03 -0.82444E-04 4644 0.725E-02 0.212E-01 RMM: 5 -0.329827228527E+03 0.30712E-03 -0.62951E-04 4607 0.721E-02 0.115E-01 RMM: 6 -0.329827415969E+03 -0.18744E-03 -0.29848E-04 3903 0.442E-02 0.203E-01 RMM: 7 -0.329827182481E+03 0.23349E-03 -0.14075E-04 3879 0.368E-02 0.906E-02 RMM: 8 -0.329827129468E+03 0.53014E-04 -0.32000E-05 2959 0.167E-02 0.356E-02 RMM: 9 -0.329827129604E+03 -0.13675E-06 -0.19889E-05 2512 0.133E-02 3181 T= 7097. E= 0.68061098E+03 F= 0.62189819E+03 E0= 0.65034568E+03 EK= 0.58713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330451351916E+03 -0.62422E+00 -0.20077E-01 8520 0.247E+01 0.271E-01 RMM: 2 -0.330463376227E+03 -0.12024E-01 -0.10676E-01 5225 0.719E-01 0.708E-01 RMM: 3 -0.330459445114E+03 0.39311E-02 -0.98723E-03 5925 0.183E-01 0.202E-01 RMM: 4 -0.330459505732E+03 -0.60618E-04 -0.11720E-03 4774 0.893E-02 0.301E-01 RMM: 5 -0.330458922948E+03 0.58278E-03 -0.70635E-04 4598 0.735E-02 0.121E-01 RMM: 6 -0.330459040357E+03 -0.11741E-03 -0.28024E-04 3902 0.434E-02 0.181E-01 RMM: 7 -0.330458863657E+03 0.17670E-03 -0.13663E-04 3872 0.371E-02 0.944E-02 RMM: 8 -0.330458806368E+03 0.57289E-04 -0.33383E-05 3026 0.173E-02 0.337E-02 RMM: 9 -0.330458808685E+03 -0.23166E-05 -0.17439E-05 2512 0.123E-02 3182 T= 6921. E= 0.67820883E+03 F= 0.62095719E+03 E0= 0.64938335E+03 EK= 0.57252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330815505802E+03 -0.35670E+00 -0.19228E-01 8292 0.243E+01 0.289E-01 RMM: 2 -0.330827014230E+03 -0.11508E-01 -0.96963E-02 5223 0.672E-01 0.769E-01 RMM: 3 -0.330822275513E+03 0.47387E-02 -0.85463E-03 5753 0.185E-01 0.216E-01 RMM: 4 -0.330822615260E+03 -0.33975E-03 -0.13687E-03 4766 0.940E-02 0.350E-01 RMM: 5 -0.330821831068E+03 0.78419E-03 -0.67078E-04 4598 0.705E-02 0.128E-01 RMM: 6 -0.330821834407E+03 -0.33391E-05 -0.21484E-04 3884 0.374E-02 0.135E-01 RMM: 7 -0.330821760189E+03 0.74218E-04 -0.10175E-04 3856 0.314E-02 0.941E-02 RMM: 8 -0.330821700720E+03 0.59469E-04 -0.31039E-05 2981 0.172E-02 0.294E-02 RMM: 9 -0.330821702710E+03 -0.19894E-05 -0.13419E-05 2495 0.107E-02 3183 T= 6558. E= 0.67453180E+03 F= 0.62028062E+03 E0= 0.64868407E+03 EK= 0.54251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330961379138E+03 -0.13968E+00 -0.19013E-01 8244 0.236E+01 0.326E-01 RMM: 2 -0.330972787413E+03 -0.11408E-01 -0.96605E-02 5308 0.664E-01 0.796E-01 RMM: 3 -0.330967712288E+03 0.50751E-02 -0.84680E-03 5650 0.184E-01 0.238E-01 RMM: 4 -0.330968345889E+03 -0.63360E-03 -0.16519E-03 4838 0.102E-01 0.414E-01 RMM: 5 -0.330967209451E+03 0.11364E-02 -0.71499E-04 4597 0.716E-02 0.129E-01 RMM: 6 -0.330967159453E+03 0.49997E-04 -0.18815E-04 3884 0.351E-02 0.106E-01 RMM: 7 -0.330967149233E+03 0.10220E-04 -0.80203E-05 3656 0.267E-02 3184 T= 6161. E= 0.67078634E+03 F= 0.61981476E+03 E0= 0.64819445E+03 EK= 0.50972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330980820174E+03 -0.13661E-01 -0.18418E-01 8424 0.231E+01 0.369E-01 RMM: 2 -0.330990672315E+03 -0.98521E-02 -0.89972E-02 5315 0.648E-01 0.767E-01 RMM: 3 -0.330986350344E+03 0.43220E-02 -0.84828E-03 5533 0.190E-01 0.307E-01 RMM: 4 -0.330987194198E+03 -0.84385E-03 -0.19386E-03 4897 0.110E-01 0.488E-01 RMM: 5 -0.330985572104E+03 0.16221E-02 -0.90534E-04 4608 0.803E-02 0.115E-01 RMM: 6 -0.330985577128E+03 -0.50241E-05 -0.17806E-04 3880 0.337E-02 3185 T= 5871. E= 0.66803624E+03 F= 0.61946998E+03 E0= 0.64782688E+03 EK= 0.48566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330961774940E+03 0.23797E-01 -0.18165E-01 8364 0.228E+01 0.398E-01 RMM: 2 -0.330981443677E+03 -0.19669E-01 -0.98026E-02 5175 0.693E-01 0.139E+00 RMM: 3 -0.330967983279E+03 0.13460E-01 -0.13285E-02 5387 0.264E-01 0.304E-01 RMM: 4 -0.330968075433E+03 -0.92154E-04 -0.20461E-03 4894 0.102E-01 0.346E-01 RMM: 5 -0.330967461380E+03 0.61405E-03 -0.69631E-04 4607 0.691E-02 0.209E-01 RMM: 6 -0.330967193277E+03 0.26810E-03 -0.27019E-04 3892 0.433E-02 0.847E-02 RMM: 7 -0.330967257743E+03 -0.64466E-04 -0.10767E-04 3803 0.288E-02 0.132E-01 RMM: 8 -0.330967139189E+03 0.11855E-03 -0.54931E-05 3375 0.226E-02 0.412E-02 RMM: 9 -0.330967132302E+03 0.68866E-05 -0.14101E-05 2519 0.110E-02 3186 T= 5770. E= 0.66689238E+03 F= 0.61916007E+03 E0= 0.64749241E+03 EK= 0.47732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330969451884E+03 -0.23127E-02 -0.17635E-01 8340 0.229E+01 0.406E-01 RMM: 2 -0.330993936513E+03 -0.24485E-01 -0.81493E-02 5220 0.644E-01 0.169E+00 RMM: 3 -0.330974090434E+03 0.19846E-01 -0.13022E-02 5373 0.274E-01 0.353E-01 RMM: 4 -0.330973715476E+03 0.37496E-03 -0.22416E-03 4899 0.107E-01 0.293E-01 RMM: 5 -0.330973454605E+03 0.26087E-03 -0.62787E-04 4591 0.671E-02 0.236E-01 RMM: 6 -0.330973086768E+03 0.36784E-03 -0.20690E-04 3880 0.386E-02 0.590E-02 RMM: 7 -0.330973124517E+03 -0.37749E-04 -0.83995E-05 3605 0.246E-02 0.985E-02 RMM: 8 -0.330973061908E+03 0.62610E-04 -0.35599E-05 3042 0.195E-02 0.363E-02 RMM: 9 -0.330973054262E+03 0.76452E-05 -0.85628E-06 2477 0.860E-03 3187 T= 5886. E= 0.66752503E+03 F= 0.61882934E+03 E0= 0.64713665E+03 EK= 0.48696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331016311836E+03 -0.43250E-01 -0.18558E-01 8520 0.234E+01 0.332E-01 RMM: 2 -0.331031639285E+03 -0.15327E-01 -0.77750E-02 5224 0.618E-01 0.120E+00 RMM: 3 -0.331021341801E+03 0.10297E-01 -0.85991E-03 5398 0.207E-01 0.246E-01 RMM: 4 -0.331021565888E+03 -0.22409E-03 -0.16457E-03 4726 0.959E-02 0.332E-01 RMM: 5 -0.331020995900E+03 0.56999E-03 -0.75672E-04 4607 0.761E-02 0.191E-01 RMM: 6 -0.331020790932E+03 0.20497E-03 -0.21726E-04 3888 0.381E-02 0.910E-02 RMM: 7 -0.331020798291E+03 -0.73584E-05 -0.12511E-04 3859 0.342E-02 3188 T= 6194. E= 0.66970896E+03 F= 0.61846573E+03 E0= 0.64674710E+03 EK= 0.51243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331076871374E+03 -0.56080E-01 -0.19447E-01 8748 0.241E+01 0.300E-01 RMM: 2 -0.331087610165E+03 -0.10739E-01 -0.75866E-02 5299 0.621E-01 0.886E-01 RMM: 3 -0.331082000253E+03 0.56099E-02 -0.72278E-03 5571 0.179E-01 0.234E-01 RMM: 4 -0.331082080937E+03 -0.80684E-04 -0.12686E-03 4628 0.883E-02 0.294E-01 RMM: 5 -0.331081664576E+03 0.41636E-03 -0.80525E-04 4608 0.791E-02 0.192E-01 RMM: 6 -0.331081482575E+03 0.18200E-03 -0.27512E-04 3888 0.434E-02 0.113E-01 RMM: 7 -0.331081494086E+03 -0.11511E-04 -0.16254E-04 3878 0.388E-02 3189 T= 6608. E= 0.67276645E+03 F= 0.61810131E+03 E0= 0.64635715E+03 EK= 0.54665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331081570223E+03 -0.87648E-04 -0.20864E-01 8280 0.249E+01 0.272E-01 RMM: 2 -0.331095028581E+03 -0.13458E-01 -0.95799E-02 5077 0.725E-01 0.933E-01 RMM: 3 -0.331088949991E+03 0.60786E-02 -0.10317E-02 5678 0.207E-01 0.232E-01 RMM: 4 -0.331088678468E+03 0.27152E-03 -0.99455E-04 4647 0.746E-02 0.204E-01 RMM: 5 -0.331088484819E+03 0.19365E-03 -0.79428E-04 4608 0.817E-02 0.162E-01 RMM: 6 -0.331088416040E+03 0.68780E-04 -0.29572E-04 3899 0.446E-02 0.130E-01 RMM: 7 -0.331088382668E+03 0.33372E-04 -0.13244E-04 3844 0.371E-02 0.117E-01 RMM: 8 -0.331088290344E+03 0.92324E-04 -0.38543E-05 3135 0.189E-02 0.328E-02 RMM: 9 -0.331088291266E+03 -0.92159E-06 -0.16658E-05 2512 0.121E-02 3190 T= 6982. E= 0.67555955E+03 F= 0.61780296E+03 E0= 0.64603181E+03 EK= 0.57757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330957294171E+03 0.13100E+00 -0.20743E-01 8544 0.254E+01 0.222E-01 RMM: 2 -0.330967777751E+03 -0.10484E-01 -0.87723E-02 5157 0.675E-01 0.686E-01 RMM: 3 -0.330964179990E+03 0.35978E-02 -0.84860E-03 5804 0.179E-01 0.174E-01 RMM: 4 -0.330964089618E+03 0.90372E-04 -0.80889E-04 4631 0.703E-02 0.204E-01 RMM: 5 -0.330963859514E+03 0.23010E-03 -0.45805E-04 4579 0.612E-02 0.126E-01 RMM: 6 -0.330963822562E+03 0.36952E-04 -0.17594E-04 3882 0.351E-02 0.105E-01 RMM: 7 -0.330963812400E+03 0.10162E-04 -0.79768E-05 3609 0.275E-02 3191 T= 7155. E= 0.67683323E+03 F= 0.61764509E+03 E0= 0.64584761E+03 EK= 0.59188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330650345706E+03 0.31348E+00 -0.20380E-01 8544 0.254E+01 0.300E-01 RMM: 2 -0.330659980775E+03 -0.96351E-02 -0.86796E-02 5171 0.682E-01 0.710E-01 RMM: 3 -0.330656492560E+03 0.34882E-02 -0.88681E-03 5811 0.188E-01 0.221E-01 RMM: 4 -0.330656683007E+03 -0.19045E-03 -0.11938E-03 4678 0.875E-02 0.327E-01 RMM: 5 -0.330656014015E+03 0.66899E-03 -0.88358E-04 4608 0.828E-02 0.147E-01 RMM: 6 -0.330656010936E+03 0.30792E-05 -0.27740E-04 3899 0.434E-02 0.153E-01 RMM: 7 -0.330655916483E+03 0.94453E-04 -0.14849E-04 3850 0.393E-02 0.107E-01 RMM: 8 -0.330655841745E+03 0.74738E-04 -0.45341E-05 3200 0.204E-02 0.376E-02 RMM: 9 -0.330655847230E+03 -0.54856E-05 -0.19705E-05 2557 0.133E-02 3192 T= 7043. E= 0.67593575E+03 F= 0.61767521E+03 E0= 0.64585257E+03 EK= 0.58261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330156144472E+03 0.49970E+00 -0.20624E-01 8256 0.249E+01 0.257E-01 RMM: 2 -0.330169136834E+03 -0.12992E-01 -0.10171E-01 4964 0.735E-01 0.826E-01 RMM: 3 -0.330163975276E+03 0.51616E-02 -0.10710E-02 5751 0.203E-01 0.189E-01 RMM: 4 -0.330164007293E+03 -0.32017E-04 -0.11032E-03 4783 0.814E-02 0.252E-01 RMM: 5 -0.330163687213E+03 0.32008E-03 -0.43214E-04 4500 0.564E-02 0.154E-01 RMM: 6 -0.330163543843E+03 0.14337E-03 -0.15781E-04 3882 0.339E-02 0.650E-02 RMM: 7 -0.330163580619E+03 -0.36776E-04 -0.64550E-05 3470 0.233E-02 0.103E-01 RMM: 8 -0.330163509386E+03 0.71233E-04 -0.31112E-05 2989 0.183E-02 0.252E-02 RMM: 9 -0.330163507417E+03 0.19690E-05 -0.66590E-06 2467 0.757E-03 3193 T= 6698. E= 0.67329868E+03 F= 0.61788949E+03 E0= 0.64604177E+03 EK= 0.55409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329524483802E+03 0.63903E+00 -0.18769E-01 8424 0.242E+01 0.304E-01 RMM: 2 -0.329531950530E+03 -0.74667E-02 -0.71793E-02 5214 0.598E-01 0.631E-01 RMM: 3 -0.329528976200E+03 0.29743E-02 -0.63545E-03 5533 0.170E-01 0.235E-01 RMM: 4 -0.329529600789E+03 -0.62459E-03 -0.13418E-03 4747 0.927E-02 0.400E-01 RMM: 5 -0.329528544080E+03 0.10567E-02 -0.57569E-04 4517 0.635E-02 0.113E-01 RMM: 6 -0.329528503500E+03 0.40580E-04 -0.13886E-04 3870 0.300E-02 0.916E-02 RMM: 7 -0.329528489536E+03 0.13964E-04 -0.60271E-05 3461 0.238E-02 3194 T= 6271. E= 0.67012212E+03 F= 0.61824330E+03 E0= 0.64637070E+03 EK= 0.51879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328798791069E+03 0.72971E+00 -0.17597E-01 8064 0.235E+01 0.324E-01 RMM: 2 -0.328807086935E+03 -0.82959E-02 -0.74929E-02 5116 0.623E-01 0.714E-01 RMM: 3 -0.328803550081E+03 0.35369E-02 -0.75974E-03 5594 0.181E-01 0.251E-01 RMM: 4 -0.328804227892E+03 -0.67781E-03 -0.14499E-03 4776 0.936E-02 0.423E-01 RMM: 5 -0.328803028335E+03 0.11996E-02 -0.64945E-04 4576 0.673E-02 0.112E-01 RMM: 6 -0.328802997704E+03 0.30631E-04 -0.14151E-04 3873 0.304E-02 0.987E-02 RMM: 7 -0.328802990811E+03 0.68933E-05 -0.72428E-05 3540 0.245E-02 3195 T= 5918. E= 0.66763809E+03 F= 0.61868438E+03 E0= 0.64678666E+03 EK= 0.48954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328017317082E+03 0.78568E+00 -0.16371E-01 8112 0.230E+01 0.294E-01 RMM: 2 -0.328024657424E+03 -0.73403E-02 -0.65666E-02 5142 0.591E-01 0.677E-01 RMM: 3 -0.328021546588E+03 0.31108E-02 -0.67102E-03 5598 0.169E-01 0.219E-01 RMM: 4 -0.328022133516E+03 -0.58693E-03 -0.11996E-03 4680 0.860E-02 0.384E-01 RMM: 5 -0.328021157565E+03 0.97595E-03 -0.50850E-04 4414 0.592E-02 0.113E-01 RMM: 6 -0.328021100549E+03 0.57016E-04 -0.13241E-04 3873 0.301E-02 0.753E-02 RMM: 7 -0.328021110548E+03 -0.99987E-05 -0.44876E-05 3192 0.200E-02 3196 T= 5739. E= 0.66665536E+03 F= 0.61918158E+03 E0= 0.64725802E+03 EK= 0.47474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327176521401E+03 0.84458E+00 -0.15607E-01 8376 0.230E+01 0.287E-01 RMM: 2 -0.327183506464E+03 -0.69851E-02 -0.59944E-02 5201 0.572E-01 0.698E-01 RMM: 3 -0.327180232951E+03 0.32735E-02 -0.60261E-03 5546 0.164E-01 0.205E-01 RMM: 4 -0.327180808100E+03 -0.57515E-03 -0.11258E-03 4651 0.828E-02 0.371E-01 RMM: 5 -0.327179883404E+03 0.92470E-03 -0.47147E-04 4282 0.572E-02 0.108E-01 RMM: 6 -0.327179842052E+03 0.41352E-04 -0.14101E-04 3876 0.314E-02 0.825E-02 RMM: 7 -0.327179842738E+03 -0.68546E-06 -0.49259E-05 3267 0.210E-02 3197 T= 5775. E= 0.66751899E+03 F= 0.61974280E+03 E0= 0.64779355E+03 EK= 0.47776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326231689297E+03 0.94815E+00 -0.15928E-01 8352 0.233E+01 0.274E-01 RMM: 2 -0.326239920628E+03 -0.82313E-02 -0.61997E-02 5241 0.588E-01 0.790E-01 RMM: 3 -0.326235763535E+03 0.41571E-02 -0.62996E-03 5603 0.164E-01 0.203E-01 RMM: 4 -0.326235971350E+03 -0.20781E-03 -0.10818E-03 4635 0.820E-02 0.293E-01 RMM: 5 -0.326235435649E+03 0.53570E-03 -0.45073E-04 4352 0.563E-02 0.134E-01 RMM: 6 -0.326235359276E+03 0.76373E-04 -0.16831E-04 3883 0.347E-02 0.883E-02 RMM: 7 -0.326235370324E+03 -0.11048E-04 -0.63223E-05 3456 0.239E-02 3198 T= 6016. E= 0.67018491E+03 F= 0.62041703E+03 E0= 0.64844329E+03 EK= 0.49768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325103780664E+03 0.11316E+01 -0.17029E-01 8316 0.239E+01 0.267E-01 RMM: 2 -0.325113083678E+03 -0.93030E-02 -0.70088E-02 5256 0.638E-01 0.830E-01 RMM: 3 -0.325108545705E+03 0.45380E-02 -0.70082E-03 5610 0.178E-01 0.185E-01 RMM: 4 -0.325108619746E+03 -0.74041E-04 -0.89251E-04 4631 0.716E-02 0.250E-01 RMM: 5 -0.325108232009E+03 0.38774E-03 -0.41353E-04 4447 0.557E-02 0.126E-01 RMM: 6 -0.325108190749E+03 0.41260E-04 -0.19220E-04 3881 0.368E-02 0.104E-01 RMM: 7 -0.325108163556E+03 0.27193E-04 -0.70840E-05 3537 0.260E-02 0.933E-02 RMM: 8 -0.325108106994E+03 0.56562E-04 -0.23619E-05 2784 0.154E-02 0.293E-02 RMM: 9 -0.325108106301E+03 0.69272E-06 -0.11766E-05 2477 0.963E-03 3199 T= 6396. E= 0.67420004E+03 F= 0.62128753E+03 E0= 0.64929155E+03 EK= 0.52913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323698643458E+03 0.14095E+01 -0.17947E-01 8196 0.246E+01 0.243E-01 RMM: 2 -0.323709741454E+03 -0.11098E-01 -0.72263E-02 5346 0.652E-01 0.944E-01 RMM: 3 -0.323703843189E+03 0.58983E-02 -0.66586E-03 5557 0.175E-01 0.187E-01 RMM: 4 -0.323703763688E+03 0.79500E-04 -0.80135E-04 4608 0.675E-02 0.192E-01 RMM: 5 -0.323703534292E+03 0.22940E-03 -0.31983E-04 4163 0.497E-02 0.113E-01 RMM: 6 -0.323703499087E+03 0.35205E-04 -0.16502E-04 3883 0.352E-02 0.897E-02 RMM: 7 -0.323703488775E+03 0.10312E-04 -0.55359E-05 3345 0.225E-02 3200 T= 6792. E= 0.67864044E+03 F= 0.62244993E+03 E0= 0.65043549E+03 EK= 0.56191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321948123737E+03 0.17554E+01 -0.18863E-01 7764 0.252E+01 0.296E-01 RMM: 2 -0.321960134801E+03 -0.12011E-01 -0.84634E-02 5348 0.719E-01 0.985E-01 RMM: 3 -0.321953951411E+03 0.61834E-02 -0.82924E-03 5573 0.200E-01 0.206E-01 RMM: 4 -0.321953924073E+03 0.27339E-04 -0.99042E-04 4609 0.738E-02 0.244E-01 RMM: 5 -0.321953506979E+03 0.41709E-03 -0.43781E-04 4497 0.577E-02 0.113E-01 RMM: 6 -0.321953567548E+03 -0.60569E-04 -0.22590E-04 3889 0.396E-02 0.151E-01 RMM: 7 -0.321953460367E+03 0.10718E-03 -0.91628E-05 3710 0.287E-02 0.974E-02 RMM: 8 -0.321953397892E+03 0.62475E-04 -0.29969E-05 2943 0.165E-02 0.312E-02 RMM: 9 -0.321953401236E+03 -0.33442E-05 -0.18710E-05 2519 0.124E-02 3201 T= 7047. E= 0.68227246E+03 F= 0.62397083E+03 E0= 0.65194238E+03 EK= 0.58302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319850739023E+03 0.21027E+01 -0.19250E-01 7572 0.253E+01 0.266E-01 RMM: 2 -0.319864310209E+03 -0.13571E-01 -0.87662E-02 5361 0.729E-01 0.105E+00 RMM: 3 -0.319857122774E+03 0.71874E-02 -0.81699E-03 5593 0.195E-01 0.211E-01 RMM: 4 -0.319856980518E+03 0.14226E-03 -0.94901E-04 4613 0.730E-02 0.196E-01 RMM: 5 -0.319856749236E+03 0.23128E-03 -0.29437E-04 4017 0.464E-02 0.120E-01 RMM: 6 -0.319856681294E+03 0.67942E-04 -0.14755E-04 3873 0.345E-02 0.716E-02 RMM: 7 -0.319856689929E+03 -0.86351E-05 -0.57584E-05 3332 0.219E-02 3202 T= 7046. E= 0.68413395E+03 F= 0.62584816E+03 E0= 0.65380995E+03 EK= 0.58286E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317496125581E+03 0.23606E+01 -0.19317E-01 7584 0.249E+01 0.313E-01 RMM: 2 -0.317508472802E+03 -0.12347E-01 -0.92330E-02 5346 0.752E-01 0.956E-01 RMM: 3 -0.317502578434E+03 0.58944E-02 -0.90924E-03 5632 0.206E-01 0.227E-01 RMM: 4 -0.317502689688E+03 -0.11125E-03 -0.11699E-03 4661 0.823E-02 0.298E-01 RMM: 5 -0.317502081881E+03 0.60781E-03 -0.39255E-04 4221 0.510E-02 0.115E-01 RMM: 6 -0.317502072853E+03 0.90284E-05 -0.18454E-04 3885 0.372E-02 3203 T= 6790. E= 0.68416217E+03 F= 0.62798962E+03 E0= 0.65594586E+03 EK= 0.56173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315043866655E+03 0.24582E+01 -0.19165E-01 7728 0.241E+01 0.448E-01 RMM: 2 -0.315079469560E+03 -0.35603E-01 -0.10815E-01 5096 0.832E-01 0.204E+00 RMM: 3 -0.315051385422E+03 0.28084E-01 -0.19205E-02 5344 0.346E-01 0.462E-01 RMM: 4 -0.315050035153E+03 0.13503E-02 -0.27385E-03 5300 0.119E-01 0.196E-01 RMM: 5 -0.315050095094E+03 -0.59941E-04 -0.55121E-04 4424 0.559E-02 0.236E-01 RMM: 6 -0.315049729638E+03 0.36546E-03 -0.23053E-04 3897 0.415E-02 0.899E-02 RMM: 7 -0.315049730196E+03 -0.55799E-06 -0.10069E-04 3762 0.273E-02 3204 T= 6404. E= 0.68321225E+03 F= 0.63023255E+03 E0= 0.65818557E+03 EK= 0.52980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312673778567E+03 0.23760E+01 -0.18057E-01 7860 0.233E+01 0.471E-01 RMM: 2 -0.312718943300E+03 -0.45165E-01 -0.11125E-01 4952 0.862E-01 0.237E+00 RMM: 3 -0.312681164401E+03 0.37779E-01 -0.21744E-02 5337 0.375E-01 0.481E-01 RMM: 4 -0.312679675048E+03 0.14894E-02 -0.31988E-03 5319 0.130E-01 0.206E-01 RMM: 5 -0.312679805204E+03 -0.13016E-03 -0.57723E-04 4533 0.577E-02 0.260E-01 RMM: 6 -0.312679344292E+03 0.46091E-03 -0.24776E-04 3897 0.431E-02 0.766E-02 RMM: 7 -0.312679326545E+03 0.17747E-04 -0.63208E-05 3404 0.224E-02 3205 T= 6051. E= 0.68245132E+03 F= 0.63239671E+03 E0= 0.66034838E+03 EK= 0.50055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310536267773E+03 0.21431E+01 -0.17429E-01 8220 0.227E+01 0.423E-01 RMM: 2 -0.310569798217E+03 -0.33530E-01 -0.10343E-01 4941 0.814E-01 0.196E+00 RMM: 3 -0.310543357890E+03 0.26440E-01 -0.18692E-02 5354 0.338E-01 0.385E-01 RMM: 4 -0.310542579043E+03 0.77885E-03 -0.23347E-03 5257 0.108E-01 0.232E-01 RMM: 5 -0.310542529625E+03 0.49418E-04 -0.53857E-04 4515 0.577E-02 0.228E-01 RMM: 6 -0.310542168131E+03 0.36149E-03 -0.22903E-04 3892 0.406E-02 0.680E-02 RMM: 7 -0.310542182541E+03 -0.14410E-04 -0.68392E-05 3491 0.229E-02 3206 T= 5857. E= 0.68278200E+03 F= 0.63433223E+03 E0= 0.66228385E+03 EK= 0.48450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308734753080E+03 0.18074E+01 -0.17423E-01 8520 0.225E+01 0.379E-01 RMM: 2 -0.308763514782E+03 -0.28762E-01 -0.10336E-01 4875 0.812E-01 0.176E+00 RMM: 3 -0.308742224037E+03 0.21291E-01 -0.16999E-02 5388 0.317E-01 0.331E-01 RMM: 4 -0.308741688590E+03 0.53545E-03 -0.19859E-03 5178 0.988E-02 0.225E-01 RMM: 5 -0.308741602991E+03 0.85599E-04 -0.47091E-04 4387 0.540E-02 0.208E-01 RMM: 6 -0.308741300223E+03 0.30277E-03 -0.23273E-04 3896 0.421E-02 0.580E-02 RMM: 7 -0.308741347936E+03 -0.47712E-04 -0.74371E-05 3527 0.233E-02 0.107E-01 RMM: 8 -0.308741283644E+03 0.64291E-04 -0.46873E-05 3159 0.209E-02 0.565E-02 RMM: 9 -0.308741263067E+03 0.20578E-04 -0.17735E-05 2531 0.129E-02 0.181E-02 RMM: 10 -0.308741267219E+03 -0.41520E-05 -0.84023E-06 2455 0.843E-03 3207 T= 5889. E= 0.68465268E+03 F= 0.63593891E+03 E0= 0.66389127E+03 EK= 0.48714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307318602116E+03 0.14227E+01 -0.17810E-01 8436 0.228E+01 0.236E-01 RMM: 2 -0.307332981621E+03 -0.14380E-01 -0.10772E-01 5049 0.774E-01 0.854E-01 RMM: 3 -0.307327351825E+03 0.56298E-02 -0.11915E-02 5453 0.245E-01 0.209E-01 RMM: 4 -0.307327294312E+03 0.57513E-04 -0.11476E-03 4967 0.792E-02 0.213E-01 RMM: 5 -0.307327050808E+03 0.24350E-03 -0.28921E-04 4043 0.453E-02 0.132E-01 RMM: 6 -0.307326946741E+03 0.10407E-03 -0.12967E-04 3875 0.319E-02 0.607E-02 RMM: 7 -0.307326994525E+03 -0.47784E-04 -0.67495E-05 3457 0.226E-02 0.107E-01 RMM: 8 -0.307326919561E+03 0.74964E-04 -0.35552E-05 2965 0.192E-02 0.346E-02 RMM: 9 -0.307326912392E+03 0.71690E-05 -0.11147E-05 2476 0.960E-03 3208 T= 6152. E= 0.68806455E+03 F= 0.63716919E+03 E0= 0.66512208E+03 EK= 0.50895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306297039721E+03 0.10299E+01 -0.18593E-01 8712 0.235E+01 0.247E-01 RMM: 2 -0.306313509841E+03 -0.16470E-01 -0.11784E-01 4935 0.838E-01 0.974E-01 RMM: 3 -0.306306780615E+03 0.67292E-02 -0.14013E-02 5765 0.251E-01 0.228E-01 RMM: 4 -0.306306401205E+03 0.37941E-03 -0.98007E-04 4829 0.724E-02 0.146E-01 RMM: 5 -0.306306289452E+03 0.11175E-03 -0.24477E-04 3996 0.430E-02 0.119E-01 RMM: 6 -0.306306236503E+03 0.52950E-04 -0.12566E-04 3836 0.309E-02 0.877E-02 RMM: 7 -0.306306274359E+03 -0.37857E-04 -0.84550E-05 3663 0.253E-02 0.119E-01 RMM: 8 -0.306306179024E+03 0.95335E-04 -0.40912E-05 3110 0.198E-02 0.336E-02 RMM: 9 -0.306306175269E+03 0.37556E-05 -0.14730E-05 2493 0.111E-02 3209 T= 6586. E= 0.69250536E+03 F= 0.63801762E+03 E0= 0.66597088E+03 EK= 0.54488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305635766380E+03 0.67041E+00 -0.20235E-01 8604 0.244E+01 0.247E-01 RMM: 2 -0.305656877581E+03 -0.21111E-01 -0.13901E-01 4956 0.894E-01 0.115E+00 RMM: 3 -0.305647457945E+03 0.94196E-02 -0.16218E-02 5758 0.266E-01 0.207E-01 RMM: 4 -0.305647079435E+03 0.37851E-03 -0.11132E-03 4885 0.766E-02 0.143E-01 RMM: 5 -0.305646949341E+03 0.13009E-03 -0.22860E-04 3935 0.408E-02 0.104E-01 RMM: 6 -0.305646918136E+03 0.31205E-04 -0.11160E-04 3806 0.294E-02 0.875E-02 RMM: 7 -0.305646953605E+03 -0.35469E-04 -0.89293E-05 3747 0.256E-02 0.121E-01 RMM: 8 -0.305646853884E+03 0.99721E-04 -0.53051E-05 3296 0.218E-02 0.328E-02 RMM: 9 -0.305646850353E+03 0.35306E-05 -0.14043E-05 2497 0.108E-02 3210 T= 7050. E= 0.69684112E+03 F= 0.63851610E+03 E0= 0.66646848E+03 EK= 0.58325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305281945342E+03 0.36491E+00 -0.21981E-01 8700 0.251E+01 0.221E-01 RMM: 2 -0.305303100319E+03 -0.21155E-01 -0.15798E-01 4987 0.940E-01 0.101E+00 RMM: 3 -0.305295611346E+03 0.74890E-02 -0.17675E-02 5863 0.264E-01 0.195E-01 RMM: 4 -0.305295233158E+03 0.37819E-03 -0.96946E-04 4846 0.727E-02 0.152E-01 RMM: 5 -0.305295075947E+03 0.15721E-03 -0.22420E-04 3981 0.417E-02 0.933E-02 RMM: 6 -0.305295084536E+03 -0.85891E-05 -0.11427E-04 3814 0.287E-02 3211 T= 7349. E= 0.69950943E+03 F= 0.63871632E+03 E0= 0.66666592E+03 EK= 0.60793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305178244315E+03 0.11683E+00 -0.22376E-01 8568 0.255E+01 0.388E-01 RMM: 2 -0.305221054498E+03 -0.42810E-01 -0.16816E-01 5062 0.971E-01 0.205E+00 RMM: 3 -0.305191239758E+03 0.29815E-01 -0.22717E-02 5404 0.351E-01 0.294E-01 RMM: 4 -0.305190678276E+03 0.56148E-03 -0.22741E-03 5251 0.922E-02 0.152E-01 RMM: 5 -0.305190547111E+03 0.13116E-03 -0.34299E-04 4154 0.488E-02 0.133E-01 RMM: 6 -0.305190482074E+03 0.65037E-04 -0.18318E-04 3884 0.368E-02 0.101E-01 RMM: 7 -0.305190575843E+03 -0.93769E-04 -0.12371E-04 3880 0.296E-02 0.157E-01 RMM: 8 -0.305190408250E+03 0.16759E-03 -0.78741E-05 3604 0.259E-02 0.409E-02 RMM: 9 -0.305190406817E+03 0.14328E-05 -0.20047E-05 2558 0.129E-02 3212 T= 7331. E= 0.69932523E+03 F= 0.63867541E+03 E0= 0.66662166E+03 EK= 0.60650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305275384041E+03 -0.84976E-01 -0.22277E-01 8388 0.253E+01 0.331E-01 RMM: 2 -0.305311795525E+03 -0.36411E-01 -0.17657E-01 4920 0.993E-01 0.177E+00 RMM: 3 -0.305289735299E+03 0.22060E-01 -0.21549E-02 5500 0.333E-01 0.319E-01 RMM: 4 -0.305289035492E+03 0.69981E-03 -0.21894E-03 5198 0.100E-01 0.157E-01 RMM: 5 -0.305288973557E+03 0.61936E-04 -0.36881E-04 4087 0.490E-02 0.144E-01 RMM: 6 -0.305288835652E+03 0.13790E-03 -0.11474E-04 3841 0.289E-02 0.577E-02 RMM: 7 -0.305288876007E+03 -0.40355E-04 -0.62798E-05 3409 0.208E-02 0.101E-01 RMM: 8 -0.305288808158E+03 0.67850E-04 -0.43707E-05 3083 0.210E-02 0.304E-02 RMM: 9 -0.305288804587E+03 0.35709E-05 -0.11394E-05 2482 0.973E-03 3213 T= 7003. E= 0.69636365E+03 F= 0.63843395E+03 E0= 0.66637469E+03 EK= 0.57930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305555139449E+03 -0.26633E+00 -0.21515E-01 8400 0.247E+01 0.318E-01 RMM: 2 -0.305581974106E+03 -0.26835E-01 -0.16213E-01 5039 0.952E-01 0.142E+00 RMM: 3 -0.305568087928E+03 0.13886E-01 -0.18126E-02 5688 0.285E-01 0.274E-01 RMM: 4 -0.305567570469E+03 0.51746E-03 -0.16215E-03 4972 0.899E-02 0.178E-01 RMM: 5 -0.305567462048E+03 0.10842E-03 -0.29311E-04 3908 0.401E-02 0.154E-01 RMM: 6 -0.305567315323E+03 0.14672E-03 -0.11977E-04 3813 0.306E-02 0.650E-02 RMM: 7 -0.305567362887E+03 -0.47564E-04 -0.89273E-05 3704 0.252E-02 0.110E-01 RMM: 8 -0.305567281632E+03 0.81256E-04 -0.57270E-05 3335 0.221E-02 0.426E-02 RMM: 9 -0.305567271079E+03 0.10552E-04 -0.15523E-05 2518 0.118E-02 3214 T= 6516. E= 0.69192110E+03 F= 0.63801239E+03 E0= 0.66594634E+03 EK= 0.53909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306002589262E+03 -0.43531E+00 -0.19919E-01 8304 0.240E+01 0.276E-01 RMM: 2 -0.306022761755E+03 -0.20172E-01 -0.14317E-01 5049 0.888E-01 0.110E+00 RMM: 3 -0.306014112154E+03 0.86496E-02 -0.15372E-02 5782 0.251E-01 0.201E-01 RMM: 4 -0.306013938667E+03 0.17349E-03 -0.12307E-03 4827 0.802E-02 0.216E-01 RMM: 5 -0.306013657025E+03 0.28164E-03 -0.25597E-04 3893 0.394E-02 0.113E-01 RMM: 6 -0.306013579919E+03 0.77106E-04 -0.85086E-05 3557 0.262E-02 0.553E-02 RMM: 7 -0.306013617468E+03 -0.37549E-04 -0.60202E-05 3378 0.214E-02 0.990E-02 RMM: 8 -0.306013547658E+03 0.69810E-04 -0.40665E-05 3016 0.195E-02 0.287E-02 RMM: 9 -0.306013544500E+03 0.31575E-05 -0.12774E-05 2484 0.104E-02 3215 T= 6065. E= 0.68759744E+03 F= 0.63742209E+03 E0= 0.66534844E+03 EK= 0.50175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306602031795E+03 -0.58848E+00 -0.18175E-01 8232 0.235E+01 0.262E-01 RMM: 2 -0.306619593410E+03 -0.17562E-01 -0.11997E-01 5043 0.813E-01 0.105E+00 RMM: 3 -0.306611654290E+03 0.79391E-02 -0.12845E-02 5769 0.231E-01 0.215E-01 RMM: 4 -0.306611396962E+03 0.25733E-03 -0.11601E-03 4758 0.791E-02 0.183E-01 RMM: 5 -0.306611231008E+03 0.16595E-03 -0.22342E-04 3880 0.360E-02 0.128E-01 RMM: 6 -0.306611128921E+03 0.10209E-03 -0.78329E-05 3531 0.255E-02 0.513E-02 RMM: 7 -0.306611162491E+03 -0.33569E-04 -0.65503E-05 3444 0.223E-02 0.927E-02 RMM: 8 -0.306611102791E+03 0.59699E-04 -0.39796E-05 3013 0.193E-02 0.314E-02 RMM: 9 -0.306611097711E+03 0.50806E-05 -0.11868E-05 2478 0.991E-03 3216 T= 5784. E= 0.68453154E+03 F= 0.63668046E+03 E0= 0.66459926E+03 EK= 0.47851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307320411013E+03 -0.70931E+00 -0.16793E-01 7884 0.233E+01 0.235E-01 RMM: 2 -0.307334587248E+03 -0.14176E-01 -0.10341E-01 5029 0.757E-01 0.916E-01 RMM: 3 -0.307328738407E+03 0.58488E-02 -0.11296E-02 5770 0.213E-01 0.173E-01 RMM: 4 -0.307328617216E+03 0.12119E-03 -0.88423E-04 4667 0.682E-02 0.183E-01 RMM: 5 -0.307328407710E+03 0.20951E-03 -0.19586E-04 3878 0.352E-02 0.981E-02 RMM: 6 -0.307328357368E+03 0.50342E-04 -0.72590E-05 3489 0.242E-02 0.583E-02 RMM: 7 -0.307328389818E+03 -0.32450E-04 -0.56701E-05 3326 0.210E-02 0.966E-02 RMM: 8 -0.307328325245E+03 0.64574E-04 -0.35225E-05 2925 0.188E-02 0.261E-02 RMM: 9 -0.307328322366E+03 0.28787E-05 -0.10556E-05 2471 0.926E-03 3217 T= 5733. E= 0.68325103E+03 F= 0.63582140E+03 E0= 0.66373353E+03 EK= 0.47430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308103155175E+03 -0.77483E+00 -0.16842E-01 7896 0.236E+01 0.220E-01 RMM: 2 -0.308117336383E+03 -0.14181E-01 -0.99073E-02 4999 0.751E-01 0.938E-01 RMM: 3 -0.308111253657E+03 0.60827E-02 -0.10935E-02 5782 0.206E-01 0.179E-01 RMM: 4 -0.308111005026E+03 0.24863E-03 -0.81096E-04 4655 0.659E-02 0.137E-01 RMM: 5 -0.308110913817E+03 0.91209E-04 -0.17789E-04 3882 0.347E-02 0.108E-01 RMM: 6 -0.308110850663E+03 0.63154E-04 -0.73827E-05 3521 0.243E-02 0.581E-02 RMM: 7 -0.308110879683E+03 -0.29020E-04 -0.60902E-05 3401 0.222E-02 0.933E-02 RMM: 8 -0.308110818281E+03 0.61401E-04 -0.33554E-05 2951 0.185E-02 0.239E-02 RMM: 9 -0.308110816730E+03 0.15516E-05 -0.98452E-06 2463 0.881E-03 3218 T= 5912. E= 0.68380889E+03 F= 0.63490205E+03 E0= 0.66280921E+03 EK= 0.48907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308872979679E+03 -0.76216E+00 -0.17475E-01 7920 0.242E+01 0.198E-01 RMM: 2 -0.308885739068E+03 -0.12759E-01 -0.10158E-01 4952 0.773E-01 0.790E-01 RMM: 3 -0.308881527169E+03 0.42119E-02 -0.11511E-02 5847 0.206E-01 0.152E-01 RMM: 4 -0.308881290575E+03 0.23659E-03 -0.64855E-04 4670 0.589E-02 0.128E-01 RMM: 5 -0.308881176217E+03 0.11436E-03 -0.15472E-04 3871 0.346E-02 0.797E-02 RMM: 6 -0.308881167526E+03 0.86912E-05 -0.78778E-05 3542 0.245E-02 3219 T= 6267. E= 0.68584736E+03 F= 0.63400200E+03 E0= 0.66190685E+03 EK= 0.51845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309540302123E+03 -0.65913E+00 -0.18582E-01 7812 0.249E+01 0.326E-01 RMM: 2 -0.309571496786E+03 -0.31195E-01 -0.11653E-01 4967 0.840E-01 0.179E+00 RMM: 3 -0.309549364908E+03 0.22132E-01 -0.16111E-02 5364 0.299E-01 0.279E-01 RMM: 4 -0.309548866001E+03 0.49891E-03 -0.16259E-03 4878 0.776E-02 0.117E-01 RMM: 5 -0.309548797496E+03 0.68504E-04 -0.22553E-04 3905 0.405E-02 0.119E-01 RMM: 6 -0.309548722079E+03 0.75417E-04 -0.11751E-04 3866 0.300E-02 0.800E-02 RMM: 7 -0.309548772860E+03 -0.50781E-04 -0.13615E-04 3884 0.323E-02 0.124E-01 RMM: 8 -0.309548665540E+03 0.10732E-03 -0.65984E-05 3437 0.240E-02 0.386E-02 RMM: 9 -0.309548661662E+03 0.38776E-05 -0.16568E-05 2535 0.119E-02 3220 T= 6688. E= 0.68854329E+03 F= 0.63321290E+03 E0= 0.66111942E+03 EK= 0.55330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310016617445E+03 -0.46795E+00 -0.19895E-01 7716 0.256E+01 0.307E-01 RMM: 2 -0.310047084012E+03 -0.30467E-01 -0.14335E-01 4780 0.943E-01 0.165E+00 RMM: 3 -0.310028551243E+03 0.18533E-01 -0.18509E-02 5441 0.308E-01 0.337E-01 RMM: 4 -0.310027746693E+03 0.80455E-03 -0.19296E-03 5153 0.935E-02 0.122E-01 RMM: 5 -0.310027721995E+03 0.24698E-04 -0.29851E-04 3918 0.425E-02 0.131E-01 RMM: 6 -0.310027597717E+03 0.12428E-03 -0.10076E-04 3791 0.279E-02 0.474E-02 RMM: 7 -0.310027622710E+03 -0.24994E-04 -0.62014E-05 3415 0.218E-02 0.860E-02 RMM: 8 -0.310027571013E+03 0.51697E-04 -0.29157E-05 2840 0.177E-02 0.217E-02 RMM: 9 -0.310027569937E+03 0.10760E-05 -0.94933E-06 2458 0.852E-03 3221 T= 7018. E= 0.69067968E+03 F= 0.63262000E+03 E0= 0.66053289E+03 EK= 0.58060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310259479730E+03 -0.23191E+00 -0.20256E-01 7656 0.258E+01 0.223E-01 RMM: 2 -0.310277959466E+03 -0.18480E-01 -0.12207E-01 4819 0.858E-01 0.108E+00 RMM: 3 -0.310269906281E+03 0.80532E-02 -0.14820E-02 5660 0.249E-01 0.200E-01 RMM: 4 -0.310269544744E+03 0.36154E-03 -0.92731E-04 4784 0.660E-02 0.101E-01 RMM: 5 -0.310269479345E+03 0.65398E-04 -0.16697E-04 3916 0.364E-02 0.918E-02 RMM: 6 -0.310269449612E+03 0.29733E-04 -0.72577E-05 3510 0.235E-02 0.752E-02 RMM: 7 -0.310269467391E+03 -0.17780E-04 -0.80533E-05 3734 0.248E-02 3222 T= 7114. E= 0.69111936E+03 F= 0.63227023E+03 E0= 0.66019572E+03 EK= 0.58849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310273945394E+03 -0.44958E-02 -0.20349E-01 7884 0.256E+01 0.182E-01 RMM: 2 -0.310287850035E+03 -0.13905E-01 -0.12787E-01 4691 0.868E-01 0.598E-01 RMM: 3 -0.310285185391E+03 0.26646E-02 -0.15381E-02 6017 0.229E-01 0.151E-01 RMM: 4 -0.310284913838E+03 0.27155E-03 -0.70421E-04 4729 0.665E-02 0.140E-01 RMM: 5 -0.310284781763E+03 0.13207E-03 -0.16023E-04 3957 0.371E-02 0.821E-02 RMM: 6 -0.310284779125E+03 0.26378E-05 -0.79395E-05 3514 0.245E-02 3223 T= 6934. E= 0.68951137E+03 F= 0.63215134E+03 E0= 0.66009696E+03 EK= 0.57360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310127104753E+03 0.15768E+00 -0.20031E-01 7584 0.250E+01 0.334E-01 RMM: 2 -0.310159378387E+03 -0.32274E-01 -0.13314E-01 4703 0.904E-01 0.174E+00 RMM: 3 -0.310137859645E+03 0.21519E-01 -0.18833E-02 5383 0.321E-01 0.340E-01 RMM: 4 -0.310137056735E+03 0.80291E-03 -0.19815E-03 5134 0.917E-02 0.110E-01 RMM: 5 -0.310137090289E+03 -0.33554E-04 -0.28253E-04 3938 0.382E-02 0.144E-01 RMM: 6 -0.310136960457E+03 0.12983E-03 -0.87714E-05 3606 0.263E-02 0.625E-02 RMM: 7 -0.310136958604E+03 0.18530E-05 -0.46961E-05 3165 0.195E-02 3224 T= 6568. E= 0.68653422E+03 F= 0.63219842E+03 E0= 0.66017130E+03 EK= 0.54336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309902555522E+03 0.23440E+00 -0.17991E-01 7704 0.242E+01 0.371E-01 RMM: 2 -0.309941970432E+03 -0.39415E-01 -0.12180E-01 4761 0.865E-01 0.206E+00 RMM: 3 -0.309912006084E+03 0.29964E-01 -0.19207E-02 5370 0.336E-01 0.369E-01 RMM: 4 -0.309911079246E+03 0.92684E-03 -0.22569E-03 5237 0.987E-02 0.138E-01 RMM: 5 -0.309911135637E+03 -0.56391E-04 -0.33894E-04 3929 0.428E-02 0.170E-01 RMM: 6 -0.309910937639E+03 0.19800E-03 -0.11337E-04 3768 0.302E-02 0.511E-02 RMM: 7 -0.309910935630E+03 0.20086E-05 -0.32513E-05 2943 0.162E-02 3225 T= 6174. E= 0.68339836E+03 F= 0.63232598E+03 E0= 0.66033348E+03 EK= 0.51072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309670530057E+03 0.24041E+00 -0.17409E-01 7788 0.235E+01 0.312E-01 RMM: 2 -0.309697795374E+03 -0.27265E-01 -0.10895E-01 4876 0.802E-01 0.164E+00 RMM: 3 -0.309678906730E+03 0.18889E-01 -0.15086E-02 5407 0.286E-01 0.283E-01 RMM: 4 -0.309678404930E+03 0.50180E-03 -0.16271E-03 4901 0.850E-02 0.141E-01 RMM: 5 -0.309678413712E+03 -0.87814E-05 -0.26848E-04 3911 0.400E-02 0.158E-01 RMM: 6 -0.309678246291E+03 0.16742E-03 -0.10082E-04 3665 0.286E-02 0.485E-02 RMM: 7 -0.309678252389E+03 -0.60981E-05 -0.32300E-05 2863 0.168E-02 3226 T= 5888. E= 0.68117270E+03 F= 0.63246297E+03 E0= 0.66051096E+03 EK= 0.48710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309468940521E+03 0.20931E+00 -0.17410E-01 7800 0.231E+01 0.265E-01 RMM: 2 -0.309488722512E+03 -0.19782E-01 -0.10836E-01 4848 0.795E-01 0.125E+00 RMM: 3 -0.309477832287E+03 0.10890E-01 -0.13703E-02 5521 0.252E-01 0.247E-01 RMM: 4 -0.309477411814E+03 0.42047E-03 -0.12621E-03 4737 0.765E-02 0.135E-01 RMM: 5 -0.309477383675E+03 0.28138E-04 -0.21749E-04 3894 0.370E-02 0.132E-01 RMM: 6 -0.309477268264E+03 0.11541E-03 -0.77043E-05 3491 0.252E-02 0.462E-02 RMM: 7 -0.309477280378E+03 -0.12114E-04 -0.34963E-05 2916 0.178E-02 3227 T= 5791. E= 0.68047725E+03 F= 0.63257231E+03 E0= 0.66066649E+03 EK= 0.47905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309294701436E+03 0.18257E+00 -0.17959E-01 7980 0.232E+01 0.248E-01 RMM: 2 -0.309314247968E+03 -0.19547E-01 -0.10803E-01 4879 0.780E-01 0.122E+00 RMM: 3 -0.309303620125E+03 0.10628E-01 -0.13106E-02 5520 0.243E-01 0.235E-01 RMM: 4 -0.309303204969E+03 0.41516E-03 -0.11350E-03 4741 0.727E-02 0.117E-01 RMM: 5 -0.309303176833E+03 0.28136E-04 -0.19295E-04 3896 0.352E-02 0.117E-01 RMM: 6 -0.309303088027E+03 0.88805E-04 -0.70195E-05 3450 0.240E-02 0.473E-02 RMM: 7 -0.309303110182E+03 -0.22155E-04 -0.36528E-05 2967 0.176E-02 0.816E-02 RMM: 8 -0.309303069718E+03 0.40465E-04 -0.45274E-05 3031 0.201E-02 0.400E-02 RMM: 9 -0.309303060391E+03 0.93267E-05 -0.13427E-05 2485 0.113E-02 3228 T= 5903. E= 0.68149654E+03 F= 0.63266053E+03 E0= 0.66080353E+03 EK= 0.48836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309102459303E+03 0.20061E+00 -0.19422E-01 7932 0.236E+01 0.191E-01 RMM: 2 -0.309119344291E+03 -0.16885E-01 -0.12520E-01 4909 0.813E-01 0.905E-01 RMM: 3 -0.309113241765E+03 0.61025E-02 -0.13902E-02 5879 0.221E-01 0.153E-01 RMM: 4 -0.309112971907E+03 0.26986E-03 -0.77067E-04 4702 0.640E-02 0.145E-01 RMM: 5 -0.309112837766E+03 0.13414E-03 -0.14312E-04 3862 0.325E-02 0.753E-02 RMM: 6 -0.309112809440E+03 0.28326E-04 -0.46532E-05 3149 0.197E-02 0.538E-02 RMM: 7 -0.309112824601E+03 -0.15161E-04 -0.43738E-05 3063 0.192E-02 3229 T= 6195. E= 0.68402303E+03 F= 0.63277160E+03 E0= 0.66096480E+03 EK= 0.51251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308829393622E+03 0.28342E+00 -0.20980E-01 8400 0.242E+01 0.217E-01 RMM: 2 -0.308847076897E+03 -0.17683E-01 -0.12507E-01 5043 0.815E-01 0.999E-01 RMM: 3 -0.308840006155E+03 0.70707E-02 -0.13654E-02 5839 0.226E-01 0.212E-01 RMM: 4 -0.308839545247E+03 0.46091E-03 -0.84524E-04 4733 0.647E-02 0.104E-01 RMM: 5 -0.308839483446E+03 0.61801E-04 -0.13733E-04 3890 0.307E-02 0.884E-02 RMM: 6 -0.308839450180E+03 0.33266E-04 -0.44853E-05 3105 0.195E-02 0.659E-02 RMM: 7 -0.308839477671E+03 -0.27490E-04 -0.79639E-05 3645 0.234E-02 0.104E-01 RMM: 8 -0.308839403815E+03 0.73856E-04 -0.50296E-05 3228 0.207E-02 0.300E-02 RMM: 9 -0.308839404281E+03 -0.46621E-06 -0.14934E-05 2512 0.110E-02 3230 T= 6581. E= 0.68741852E+03 F= 0.63297313E+03 E0= 0.66121460E+03 EK= 0.54445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308406350955E+03 0.43305E+00 -0.23840E-01 8256 0.249E+01 0.229E-01 RMM: 2 -0.308427421915E+03 -0.21071E-01 -0.15955E-01 4999 0.910E-01 0.102E+00 RMM: 3 -0.308419991803E+03 0.74301E-02 -0.17196E-02 5929 0.244E-01 0.189E-01 RMM: 4 -0.308419582511E+03 0.40929E-03 -0.10169E-03 4765 0.740E-02 0.154E-01 RMM: 5 -0.308419434219E+03 0.14829E-03 -0.18814E-04 3885 0.360E-02 0.866E-02 RMM: 6 -0.308419390748E+03 0.43470E-04 -0.56649E-05 3288 0.219E-02 0.499E-02 RMM: 7 -0.308419400693E+03 -0.99447E-05 -0.33068E-05 2728 0.171E-02 3231 T= 6926. E= 0.69062420E+03 F= 0.63332822E+03 E0= 0.66161280E+03 EK= 0.57296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307812988335E+03 0.60640E+00 -0.24484E-01 8424 0.253E+01 0.196E-01 RMM: 2 -0.307832006535E+03 -0.19018E-01 -0.16100E-01 5168 0.890E-01 0.808E-01 RMM: 3 -0.307826991887E+03 0.50146E-02 -0.15934E-02 6058 0.227E-01 0.196E-01 RMM: 4 -0.307826494262E+03 0.49762E-03 -0.74950E-04 4707 0.634E-02 0.112E-01 RMM: 5 -0.307826400455E+03 0.93808E-04 -0.12530E-04 3869 0.296E-02 0.795E-02 RMM: 6 -0.307826396479E+03 0.39759E-05 -0.51610E-05 3212 0.202E-02 3232 T= 7087. E= 0.69248957E+03 F= 0.63386235E+03 E0= 0.66218212E+03 EK= 0.58627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307091205840E+03 0.73519E+00 -0.25916E-01 8304 0.253E+01 0.338E-01 RMM: 2 -0.307128343258E+03 -0.37137E-01 -0.19577E-01 4981 0.989E-01 0.171E+00 RMM: 3 -0.307107052027E+03 0.21291E-01 -0.22709E-02 5452 0.334E-01 0.291E-01 RMM: 4 -0.307106430307E+03 0.62172E-03 -0.21995E-03 5322 0.872E-02 0.113E-01 RMM: 5 -0.307106368118E+03 0.62188E-04 -0.21789E-04 3956 0.369E-02 0.111E-01 RMM: 6 -0.307106297634E+03 0.70484E-04 -0.66920E-05 3411 0.232E-02 0.606E-02 RMM: 7 -0.307106319687E+03 -0.22053E-04 -0.44267E-05 3088 0.195E-02 0.869E-02 RMM: 8 -0.307106278021E+03 0.41667E-04 -0.54108E-05 3172 0.193E-02 0.538E-02 RMM: 9 -0.307106260862E+03 0.17158E-04 -0.22180E-05 2545 0.143E-02 3233 T= 6995. E= 0.69239831E+03 F= 0.63452861E+03 E0= 0.66287423E+03 EK= 0.57870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306364713310E+03 0.74156E+00 -0.25570E-01 8556 0.249E+01 0.351E-01 RMM: 2 -0.306403296234E+03 -0.38583E-01 -0.19488E-01 4882 0.101E+00 0.177E+00 RMM: 3 -0.306381050046E+03 0.22246E-01 -0.23004E-02 5473 0.334E-01 0.384E-01 RMM: 4 -0.306379934722E+03 0.11153E-02 -0.24997E-03 5233 0.107E-01 0.132E-01 RMM: 5 -0.306379973257E+03 -0.38535E-04 -0.33836E-04 3918 0.415E-02 0.156E-01 RMM: 6 -0.306379803110E+03 0.17015E-03 -0.90658E-05 3641 0.264E-02 0.440E-02 RMM: 7 -0.306379809189E+03 -0.60787E-05 -0.29656E-05 2772 0.153E-02 3234 T= 6705. E= 0.69067123E+03 F= 0.63520537E+03 E0= 0.66356718E+03 EK= 0.55466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305791552826E+03 0.58825E+00 -0.24414E-01 8652 0.242E+01 0.278E-01 RMM: 2 -0.305820175275E+03 -0.28622E-01 -0.17422E-01 4943 0.956E-01 0.137E+00 RMM: 3 -0.305806290031E+03 0.13885E-01 -0.19365E-02 5602 0.291E-01 0.240E-01 RMM: 4 -0.305805828741E+03 0.46129E-03 -0.15052E-03 4946 0.822E-02 0.136E-01 RMM: 5 -0.305805766871E+03 0.61870E-04 -0.21380E-04 3960 0.340E-02 0.120E-01 RMM: 6 -0.305805677398E+03 0.89472E-04 -0.61515E-05 3347 0.221E-02 0.524E-02 RMM: 7 -0.305805708963E+03 -0.31565E-04 -0.63058E-05 3466 0.220E-02 0.905E-02 RMM: 8 -0.305805664909E+03 0.44055E-04 -0.56854E-05 3307 0.206E-02 0.458E-02 RMM: 9 -0.305805653836E+03 0.11073E-04 -0.16823E-05 2513 0.125E-02 3235 T= 6354. E= 0.68829635E+03 F= 0.63573367E+03 E0= 0.66410343E+03 EK= 0.52563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305513612922E+03 0.29205E+00 -0.22921E-01 8388 0.236E+01 0.257E-01 RMM: 2 -0.305540158089E+03 -0.26545E-01 -0.17543E-01 4858 0.968E-01 0.127E+00 RMM: 3 -0.305528458700E+03 0.11699E-01 -0.19179E-02 5753 0.279E-01 0.211E-01 RMM: 4 -0.305528061167E+03 0.39753E-03 -0.13550E-03 4950 0.818E-02 0.153E-01 RMM: 5 -0.305527961295E+03 0.99873E-04 -0.21412E-04 3899 0.349E-02 0.115E-01 RMM: 6 -0.305527872750E+03 0.88545E-04 -0.62101E-05 3357 0.226E-02 0.433E-02 RMM: 7 -0.305527872095E+03 0.65462E-06 -0.24994E-05 2554 0.152E-02 3236 T= 6084. E= 0.68630094E+03 F= 0.63596961E+03 E0= 0.66434186E+03 EK= 0.50331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305618950162E+03 -0.91077E-01 -0.21306E-01 8244 0.233E+01 0.232E-01 RMM: 2 -0.305640306029E+03 -0.21356E-01 -0.15090E-01 4864 0.909E-01 0.106E+00 RMM: 3 -0.305632051652E+03 0.82544E-02 -0.17124E-02 5783 0.261E-01 0.227E-01 RMM: 4 -0.305631541604E+03 0.51005E-03 -0.10794E-03 4869 0.717E-02 0.975E-02 RMM: 5 -0.305631504633E+03 0.36971E-04 -0.15424E-04 4031 0.302E-02 0.878E-02 RMM: 6 -0.305631461665E+03 0.42968E-04 -0.37137E-05 2954 0.180E-02 0.484E-02 RMM: 7 -0.305631497933E+03 -0.36268E-04 -0.54907E-05 3320 0.206E-02 0.929E-02 RMM: 8 -0.305631442950E+03 0.54983E-04 -0.41285E-05 3015 0.194E-02 0.273E-02 RMM: 9 -0.305631440861E+03 0.20884E-05 -0.11290E-05 2475 0.100E-02 3237 T= 5985. E= 0.68534249E+03 F= 0.63582872E+03 E0= 0.66419979E+03 EK= 0.49514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306110486253E+03 -0.47904E+00 -0.20841E-01 8028 0.234E+01 0.216E-01 RMM: 2 -0.306132754228E+03 -0.22268E-01 -0.16864E-01 4753 0.951E-01 0.101E+00 RMM: 3 -0.306125200841E+03 0.75534E-02 -0.19130E-02 5948 0.255E-01 0.189E-01 RMM: 4 -0.306124701026E+03 0.49981E-03 -0.10386E-03 4855 0.747E-02 0.120E-01 RMM: 5 -0.306124658585E+03 0.42442E-04 -0.17027E-04 3903 0.325E-02 0.104E-01 RMM: 6 -0.306124585201E+03 0.73384E-04 -0.51687E-05 3225 0.211E-02 0.366E-02 RMM: 7 -0.306124589763E+03 -0.45623E-05 -0.23636E-05 2552 0.151E-02 3238 T= 6083. E= 0.68562654E+03 F= 0.63530331E+03 E0= 0.66367169E+03 EK= 0.50323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306926742259E+03 -0.80216E+00 -0.20627E-01 7776 0.238E+01 0.215E-01 RMM: 2 -0.306945647432E+03 -0.18905E-01 -0.15406E-01 4807 0.922E-01 0.854E-01 RMM: 3 -0.306940103750E+03 0.55437E-02 -0.17825E-02 5874 0.255E-01 0.175E-01 RMM: 4 -0.306939684754E+03 0.41900E-03 -0.95457E-04 5179 0.638E-02 0.988E-02 RMM: 5 -0.306939613395E+03 0.71359E-04 -0.12452E-04 3933 0.309E-02 0.638E-02 RMM: 6 -0.306939601263E+03 0.12132E-04 -0.42968E-05 3054 0.192E-02 3239 T= 6343. E= 0.68693143E+03 F= 0.63446143E+03 E0= 0.66282664E+03 EK= 0.52470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307939172719E+03 -0.99956E+00 -0.19858E-01 7644 0.245E+01 0.296E-01 RMM: 2 -0.307966058200E+03 -0.26885E-01 -0.14266E-01 4892 0.894E-01 0.146E+00 RMM: 3 -0.307951095352E+03 0.14963E-01 -0.17565E-02 5453 0.291E-01 0.307E-01 RMM: 4 -0.307950382210E+03 0.71314E-03 -0.16234E-03 4937 0.836E-02 0.101E-01 RMM: 5 -0.307950346209E+03 0.36001E-04 -0.22546E-04 3917 0.357E-02 0.106E-01 RMM: 6 -0.307950277016E+03 0.69193E-04 -0.63699E-05 3390 0.229E-02 0.548E-02 RMM: 7 -0.307950290919E+03 -0.13903E-04 -0.38675E-05 2930 0.185E-02 3240 T= 6671. E= 0.68861367E+03 F= 0.63342931E+03 E0= 0.66179213E+03 EK= 0.55184E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308992684116E+03 -0.10424E+01 -0.20839E-01 7716 0.251E+01 0.327E-01 RMM: 2 -0.309025071538E+03 -0.32387E-01 -0.15471E-01 4898 0.954E-01 0.168E+00 RMM: 3 -0.309005577515E+03 0.19494E-01 -0.19547E-02 5429 0.312E-01 0.346E-01 RMM: 4 -0.309004691712E+03 0.88580E-03 -0.20428E-03 5098 0.952E-02 0.113E-01 RMM: 5 -0.309004660033E+03 0.31679E-04 -0.28383E-04 3902 0.394E-02 0.116E-01 RMM: 6 -0.309004568517E+03 0.91516E-04 -0.75444E-05 3530 0.245E-02 0.465E-02 RMM: 7 -0.309004577132E+03 -0.86149E-05 -0.29834E-05 2666 0.161E-02 3241 T= 6934. E= 0.68972152E+03 F= 0.63235879E+03 E0= 0.66071994E+03 EK= 0.57363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309960838789E+03 -0.95627E+00 -0.21175E-01 7728 0.254E+01 0.280E-01 RMM: 2 -0.309984946328E+03 -0.24108E-01 -0.13732E-01 5057 0.869E-01 0.136E+00 RMM: 3 -0.309972110587E+03 0.12836E-01 -0.15938E-02 5484 0.271E-01 0.259E-01 RMM: 4 -0.309971617958E+03 0.49263E-03 -0.13661E-03 4851 0.757E-02 0.114E-01 RMM: 5 -0.309971555931E+03 0.62027E-04 -0.20012E-04 3899 0.361E-02 0.108E-01 RMM: 6 -0.309971480130E+03 0.75801E-04 -0.68172E-05 3438 0.237E-02 0.511E-02 RMM: 7 -0.309971495279E+03 -0.15149E-04 -0.49169E-05 3117 0.202E-02 3242 T= 7011. E= 0.68938386E+03 F= 0.63138060E+03 E0= 0.65974067E+03 EK= 0.58003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310772869253E+03 -0.80139E+00 -0.21196E-01 7800 0.253E+01 0.234E-01 RMM: 2 -0.310791892944E+03 -0.19024E-01 -0.14355E-01 4993 0.883E-01 0.975E-01 RMM: 3 -0.310785005368E+03 0.68876E-02 -0.16169E-02 5763 0.247E-01 0.199E-01 RMM: 4 -0.310784601525E+03 0.40384E-03 -0.10144E-03 4840 0.696E-02 0.123E-01 RMM: 5 -0.310784531233E+03 0.70293E-04 -0.15872E-04 3899 0.320E-02 0.984E-02 RMM: 6 -0.310784471004E+03 0.60228E-04 -0.48570E-05 3160 0.204E-02 0.461E-02 RMM: 7 -0.310784484728E+03 -0.13724E-04 -0.37366E-05 2840 0.183E-02 3243 T= 6864. E= 0.68734848E+03 F= 0.63056120E+03 E0= 0.65891963E+03 EK= 0.56787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311453072097E+03 -0.66860E+00 -0.19814E-01 7608 0.248E+01 0.209E-01 RMM: 2 -0.311471532176E+03 -0.18460E-01 -0.14625E-01 4937 0.871E-01 0.890E-01 RMM: 3 -0.311465764300E+03 0.57679E-02 -0.16275E-02 5898 0.233E-01 0.181E-01 RMM: 4 -0.311465383335E+03 0.38096E-03 -0.89798E-04 4775 0.686E-02 0.128E-01 RMM: 5 -0.311465290283E+03 0.93052E-04 -0.14333E-04 3857 0.299E-02 0.878E-02 RMM: 6 -0.311465244002E+03 0.46281E-04 -0.42454E-05 3088 0.192E-02 0.453E-02 RMM: 7 -0.311465262389E+03 -0.18388E-04 -0.39524E-05 2843 0.184E-02 3244 T= 6562. E= 0.68416848E+03 F= 0.62987904E+03 E0= 0.65823378E+03 EK= 0.54289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312089143666E+03 -0.62390E+00 -0.19481E-01 7920 0.242E+01 0.205E-01 RMM: 2 -0.312105237997E+03 -0.16094E-01 -0.13451E-01 4888 0.858E-01 0.788E-01 RMM: 3 -0.312100654763E+03 0.45832E-02 -0.15544E-02 5946 0.233E-01 0.149E-01 RMM: 4 -0.312100362426E+03 0.29234E-03 -0.81741E-04 4814 0.638E-02 0.134E-01 RMM: 5 -0.312100262737E+03 0.99689E-04 -0.12802E-04 3830 0.293E-02 0.817E-02 RMM: 6 -0.312100224227E+03 0.38510E-04 -0.39816E-05 3017 0.187E-02 0.438E-02 RMM: 7 -0.312100239007E+03 -0.14780E-04 -0.46356E-05 3090 0.199E-02 3245 T= 6236. E= 0.68083458E+03 F= 0.62924808E+03 E0= 0.65759578E+03 EK= 0.51586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312788767487E+03 -0.68854E+00 -0.18602E-01 7920 0.235E+01 0.184E-01 RMM: 2 -0.312803755928E+03 -0.14988E-01 -0.12702E-01 4886 0.820E-01 0.724E-01 RMM: 3 -0.312799742366E+03 0.40136E-02 -0.14287E-02 6022 0.218E-01 0.161E-01 RMM: 4 -0.312799402810E+03 0.33956E-03 -0.67926E-04 4700 0.615E-02 0.122E-01 RMM: 5 -0.312799311336E+03 0.91474E-04 -0.11591E-04 3752 0.289E-02 0.737E-02 RMM: 6 -0.312799281466E+03 0.29870E-04 -0.34953E-05 2926 0.177E-02 0.442E-02 RMM: 7 -0.312799299375E+03 -0.17909E-04 -0.44052E-05 2978 0.193E-02 3246 T= 6005. E= 0.67823950E+03 F= 0.62855889E+03 E0= 0.65689473E+03 EK= 0.49681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313648208790E+03 -0.84893E+00 -0.17363E-01 8544 0.232E+01 0.186E-01 RMM: 2 -0.313660674304E+03 -0.12466E-01 -0.10310E-01 5109 0.729E-01 0.722E-01 RMM: 3 -0.313656715331E+03 0.39590E-02 -0.10377E-02 5933 0.193E-01 0.150E-01 RMM: 4 -0.313656471113E+03 0.24422E-03 -0.57923E-04 4681 0.542E-02 0.113E-01 RMM: 5 -0.313656401854E+03 0.69259E-04 -0.10272E-04 3744 0.270E-02 0.777E-02 RMM: 6 -0.313656367679E+03 0.34175E-04 -0.35821E-05 2973 0.180E-02 0.455E-02 RMM: 7 -0.313656388190E+03 -0.20511E-04 -0.45771E-05 3121 0.196E-02 0.763E-02 RMM: 8 -0.313656352114E+03 0.36076E-04 -0.31404E-05 2669 0.158E-02 0.288E-02 RMM: 9 -0.313656348337E+03 0.37764E-05 -0.10688E-05 2462 0.950E-03 3247 T= 5945. E= 0.67689540E+03 F= 0.62771787E+03 E0= 0.65603639E+03 EK= 0.49178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314715285542E+03 -0.10589E+01 -0.17192E-01 8664 0.233E+01 0.174E-01 RMM: 2 -0.314726703748E+03 -0.11418E-01 -0.92929E-02 5272 0.672E-01 0.713E-01 RMM: 3 -0.314722714461E+03 0.39893E-02 -0.80593E-03 6022 0.167E-01 0.121E-01 RMM: 4 -0.314722596165E+03 0.11830E-03 -0.49240E-04 4445 0.524E-02 0.140E-01 RMM: 5 -0.314722469711E+03 0.12645E-03 -0.10064E-04 3669 0.272E-02 0.683E-02 RMM: 6 -0.314722443194E+03 0.26517E-04 -0.28839E-05 2807 0.163E-02 0.413E-02 RMM: 7 -0.314722453205E+03 -0.10011E-04 -0.32014E-05 2628 0.163E-02 3248 T= 6072. E= 0.67690248E+03 F= 0.62667395E+03 E0= 0.65496976E+03 EK= 0.50229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315988847163E+03 -0.12664E+01 -0.17803E-01 8688 0.237E+01 0.195E-01 RMM: 2 -0.316000406470E+03 -0.11559E-01 -0.94054E-02 5330 0.688E-01 0.732E-01 RMM: 3 -0.315996307853E+03 0.40986E-02 -0.83447E-03 5971 0.177E-01 0.149E-01 RMM: 4 -0.315996136081E+03 0.17177E-03 -0.55417E-04 4621 0.531E-02 0.134E-01 RMM: 5 -0.315996010967E+03 0.12511E-03 -0.10440E-04 3745 0.265E-02 0.612E-02 RMM: 6 -0.315995999156E+03 0.11811E-04 -0.29386E-05 2835 0.163E-02 3249 T= 6351. E= 0.67796559E+03 F= 0.62542847E+03 E0= 0.65369673E+03 EK= 0.52537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317414769880E+03 -0.14188E+01 -0.18664E-01 8568 0.244E+01 0.293E-01 RMM: 2 -0.317441225530E+03 -0.26456E-01 -0.11163E-01 5298 0.757E-01 0.158E+00 RMM: 3 -0.317423300297E+03 0.17925E-01 -0.12029E-02 5421 0.246E-01 0.234E-01 RMM: 4 -0.317422997780E+03 0.30252E-03 -0.13248E-03 4706 0.759E-02 0.145E-01 RMM: 5 -0.317422874299E+03 0.12348E-03 -0.18484E-04 3904 0.324E-02 0.104E-01 RMM: 6 -0.317422807592E+03 0.66707E-04 -0.49952E-05 3180 0.209E-02 0.500E-02 RMM: 7 -0.317422829146E+03 -0.21554E-04 -0.69773E-05 3594 0.228E-02 0.856E-02 RMM: 8 -0.317422780209E+03 0.48938E-04 -0.42367E-05 3000 0.184E-02 0.315E-02 RMM: 9 -0.317422781041E+03 -0.83225E-06 -0.18016E-05 2506 0.125E-02 3250 T= 6691. E= 0.67938643E+03 F= 0.62403529E+03 E0= 0.65227193E+03 EK= 0.55351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318900713662E+03 -0.14779E+01 -0.19493E-01 8304 0.250E+01 0.289E-01 RMM: 2 -0.318923140269E+03 -0.22427E-01 -0.12327E-01 5236 0.818E-01 0.134E+00 RMM: 3 -0.318910453795E+03 0.12686E-01 -0.13117E-02 5492 0.250E-01 0.283E-01 RMM: 4 -0.318909994566E+03 0.45923E-03 -0.15683E-03 4758 0.887E-02 0.167E-01 RMM: 5 -0.318909836353E+03 0.15821E-03 -0.24862E-04 3887 0.389E-02 0.113E-01 RMM: 6 -0.318909752699E+03 0.83654E-04 -0.55655E-05 3304 0.219E-02 0.366E-02 RMM: 7 -0.318909754313E+03 -0.16145E-05 -0.25401E-05 2550 0.150E-02 3251 T= 6961. E= 0.68017062E+03 F= 0.62258732E+03 E0= 0.65079012E+03 EK= 0.57583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320345785514E+03 -0.14360E+01 -0.19653E-01 8208 0.254E+01 0.254E-01 RMM: 2 -0.320364982959E+03 -0.19197E-01 -0.12294E-01 5254 0.815E-01 0.115E+00 RMM: 3 -0.320355639520E+03 0.93434E-02 -0.12131E-02 5731 0.224E-01 0.197E-01 RMM: 4 -0.320355365053E+03 0.27447E-03 -0.97564E-04 4692 0.700E-02 0.157E-01 RMM: 5 -0.320355205192E+03 0.15986E-03 -0.16490E-04 3879 0.317E-02 0.950E-02 RMM: 6 -0.320355159687E+03 0.45505E-04 -0.51525E-05 3230 0.208E-02 0.615E-02 RMM: 7 -0.320355174407E+03 -0.14721E-04 -0.10243E-04 3880 0.258E-02 3252 T= 7040. E= 0.67942516E+03 F= 0.62118653E+03 E0= 0.64935584E+03 EK= 0.58239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321675382612E+03 -0.13202E+01 -0.19499E-01 8148 0.253E+01 0.241E-01 RMM: 2 -0.321690459975E+03 -0.15077E-01 -0.12396E-01 5176 0.821E-01 0.839E-01 RMM: 3 -0.321685409232E+03 0.50507E-02 -0.12714E-02 5903 0.215E-01 0.153E-01 RMM: 4 -0.321685408642E+03 0.59023E-06 -0.88295E-04 4673 0.697E-02 0.237E-01 RMM: 5 -0.321685033925E+03 0.37472E-03 -0.20448E-04 3878 0.373E-02 0.790E-02 RMM: 6 -0.321684998080E+03 0.35845E-04 -0.44226E-05 3139 0.198E-02 0.402E-02 RMM: 7 -0.321685008013E+03 -0.99330E-05 -0.31708E-05 2628 0.162E-02 3253 T= 6889. E= 0.67690082E+03 F= 0.61990765E+03 E0= 0.64804618E+03 EK= 0.56993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322862219606E+03 -0.11772E+01 -0.18830E-01 7800 0.249E+01 0.223E-01 RMM: 2 -0.322880215102E+03 -0.17995E-01 -0.14317E-01 4995 0.880E-01 0.895E-01 RMM: 3 -0.322874447748E+03 0.57674E-02 -0.16044E-02 5969 0.233E-01 0.162E-01 RMM: 4 -0.322874147229E+03 0.30052E-03 -0.86344E-04 4749 0.693E-02 0.165E-01 RMM: 5 -0.322873963565E+03 0.18366E-03 -0.15532E-04 3895 0.324E-02 0.834E-02 RMM: 6 -0.322873937575E+03 0.25990E-04 -0.58869E-05 3300 0.219E-02 0.666E-02 RMM: 7 -0.322873967510E+03 -0.29935E-04 -0.88570E-05 3873 0.236E-02 0.105E-01 RMM: 8 -0.322873892358E+03 0.75153E-04 -0.49839E-05 3187 0.200E-02 0.238E-02 RMM: 9 -0.322873894165E+03 -0.18075E-05 -0.14136E-05 2485 0.113E-02 3254 T= 6577. E= 0.67318292E+03 F= 0.61877696E+03 E0= 0.64688857E+03 EK= 0.54406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323926465609E+03 -0.10526E+01 -0.18548E-01 7824 0.243E+01 0.203E-01 RMM: 2 -0.323942272413E+03 -0.15807E-01 -0.13601E-01 4875 0.864E-01 0.738E-01 RMM: 3 -0.323938040628E+03 0.42318E-02 -0.15040E-02 5970 0.228E-01 0.142E-01 RMM: 4 -0.323937852461E+03 0.18817E-03 -0.77769E-04 4736 0.682E-02 0.180E-01 RMM: 5 -0.323937631818E+03 0.22064E-03 -0.16208E-04 3895 0.345E-02 0.777E-02 RMM: 6 -0.323937604653E+03 0.27165E-04 -0.58657E-05 3283 0.222E-02 0.540E-02 RMM: 7 -0.323937610159E+03 -0.55060E-05 -0.53364E-05 3112 0.201E-02 3255 T= 6229. E= 0.66931333E+03 F= 0.61777955E+03 E0= 0.64586920E+03 EK= 0.51534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324897412416E+03 -0.95981E+00 -0.15989E-01 7896 0.237E+01 0.197E-01 RMM: 2 -0.324908891785E+03 -0.11479E-01 -0.95255E-02 4912 0.737E-01 0.707E-01 RMM: 3 -0.324905341823E+03 0.35500E-02 -0.10679E-02 5861 0.202E-01 0.154E-01 RMM: 4 -0.324905194822E+03 0.14700E-03 -0.61794E-04 4668 0.601E-02 0.158E-01 RMM: 5 -0.324905023294E+03 0.17153E-03 -0.13641E-04 3876 0.314E-02 0.765E-02 RMM: 6 -0.324905026687E+03 -0.33927E-05 -0.69134E-05 3466 0.232E-02 3256 T= 5967. E= 0.66624629E+03 F= 0.61688695E+03 E0= 0.64495775E+03 EK= 0.49359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325786556591E+03 -0.88153E+00 -0.15022E-01 7788 0.234E+01 0.328E-01 RMM: 2 -0.325811842767E+03 -0.25286E-01 -0.88244E-02 4899 0.726E-01 0.164E+00 RMM: 3 -0.325793073093E+03 0.18770E-01 -0.14273E-02 5345 0.289E-01 0.280E-01 RMM: 4 -0.325792602437E+03 0.47066E-03 -0.14623E-03 4770 0.778E-02 0.131E-01 RMM: 5 -0.325792564335E+03 0.38103E-04 -0.22002E-04 3906 0.387E-02 0.133E-01 RMM: 6 -0.325792454764E+03 0.10957E-03 -0.94100E-05 3682 0.281E-02 0.589E-02 RMM: 7 -0.325792490036E+03 -0.35272E-04 -0.66068E-05 3441 0.228E-02 0.948E-02 RMM: 8 -0.325792435411E+03 0.54624E-04 -0.42598E-05 3011 0.193E-02 0.373E-02 RMM: 9 -0.325792429057E+03 0.63542E-05 -0.14931E-05 2488 0.116E-02 3257 T= 5860. E= 0.66456213E+03 F= 0.61608256E+03 E0= 0.64413704E+03 EK= 0.48480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326584272952E+03 -0.79184E+00 -0.15155E-01 7860 0.234E+01 0.329E-01 RMM: 2 -0.326609911629E+03 -0.25639E-01 -0.87288E-02 4910 0.727E-01 0.167E+00 RMM: 3 -0.326590575494E+03 0.19336E-01 -0.13301E-02 5353 0.279E-01 0.312E-01 RMM: 4 -0.326589935463E+03 0.64003E-03 -0.16304E-03 4877 0.868E-02 0.133E-01 RMM: 5 -0.326589923280E+03 0.12183E-04 -0.22502E-04 3893 0.382E-02 0.140E-01 RMM: 6 -0.326589787256E+03 0.13602E-03 -0.70535E-05 3458 0.246E-02 0.378E-02 RMM: 7 -0.326589799169E+03 -0.11913E-04 -0.34269E-05 2902 0.167E-02 3258 T= 5932. E= 0.66444939E+03 F= 0.61537540E+03 E0= 0.64341481E+03 EK= 0.49074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327253986102E+03 -0.66420E+00 -0.15406E-01 8292 0.236E+01 0.268E-01 RMM: 2 -0.327269906802E+03 -0.15921E-01 -0.72003E-02 5101 0.639E-01 0.123E+00 RMM: 3 -0.327259223181E+03 0.10684E-01 -0.83343E-03 5358 0.208E-01 0.210E-01 RMM: 4 -0.327259126554E+03 0.96627E-04 -0.10503E-03 4630 0.721E-02 0.188E-01 RMM: 5 -0.327258947238E+03 0.17932E-03 -0.19701E-04 3889 0.354E-02 0.119E-01 RMM: 6 -0.327258860786E+03 0.86452E-04 -0.67933E-05 3437 0.243E-02 0.482E-02 RMM: 7 -0.327258898223E+03 -0.37436E-04 -0.61488E-05 3415 0.211E-02 0.936E-02 RMM: 8 -0.327258842842E+03 0.55381E-04 -0.40076E-05 3012 0.197E-02 0.278E-02 RMM: 9 -0.327258840393E+03 0.24488E-05 -0.10373E-05 2469 0.945E-03 3259 T= 6158. E= 0.66574952E+03 F= 0.61480233E+03 E0= 0.64282688E+03 EK= 0.50947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327742307907E+03 -0.48347E+00 -0.16143E-01 8100 0.241E+01 0.221E-01 RMM: 2 -0.327754042167E+03 -0.11734E-01 -0.97775E-02 4898 0.733E-01 0.747E-01 RMM: 3 -0.327750053412E+03 0.39888E-02 -0.10402E-02 5781 0.195E-01 0.142E-01 RMM: 4 -0.327750144177E+03 -0.90765E-04 -0.80525E-04 4663 0.694E-02 0.238E-01 RMM: 5 -0.327749749990E+03 0.39419E-03 -0.21553E-04 3888 0.379E-02 0.711E-02 RMM: 6 -0.327749724873E+03 0.25117E-04 -0.47638E-05 3172 0.198E-02 0.505E-02 RMM: 7 -0.327749736166E+03 -0.11293E-04 -0.46016E-05 3034 0.190E-02 3260 T= 6472. E= 0.66795270E+03 F= 0.61441191E+03 E0= 0.64242127E+03 EK= 0.53541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328015555949E+03 -0.26583E+00 -0.17372E-01 7632 0.247E+01 0.263E-01 RMM: 2 -0.328030531262E+03 -0.14975E-01 -0.11232E-01 4928 0.792E-01 0.924E-01 RMM: 3 -0.328024437525E+03 0.60937E-02 -0.12610E-02 5729 0.222E-01 0.198E-01 RMM: 4 -0.328024348067E+03 0.89458E-04 -0.11014E-03 4733 0.779E-02 0.229E-01 RMM: 5 -0.328024005630E+03 0.34244E-03 -0.24354E-04 3895 0.401E-02 0.877E-02 RMM: 6 -0.328023968364E+03 0.37266E-04 -0.53919E-05 3283 0.212E-02 0.534E-02 RMM: 7 -0.328023994497E+03 -0.26133E-04 -0.58120E-05 3376 0.202E-02 0.894E-02 RMM: 8 -0.328023943112E+03 0.51384E-04 -0.37850E-05 2982 0.189E-02 0.230E-02 RMM: 9 -0.328023946983E+03 -0.38706E-05 -0.12583E-05 2478 0.104E-02 3261 T= 6768. E= 0.67023062E+03 F= 0.61424196E+03 E0= 0.64223575E+03 EK= 0.55989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328077128000E+03 -0.53185E-01 -0.17533E-01 7668 0.250E+01 0.263E-01 RMM: 2 -0.328092094939E+03 -0.14967E-01 -0.11393E-01 4977 0.789E-01 0.928E-01 RMM: 3 -0.328085947805E+03 0.61471E-02 -0.12529E-02 5750 0.218E-01 0.162E-01 RMM: 4 -0.328086016718E+03 -0.68913E-04 -0.10193E-03 4696 0.747E-02 0.256E-01 RMM: 5 -0.328085582307E+03 0.43441E-03 -0.25690E-04 3915 0.414E-02 0.879E-02 RMM: 6 -0.328085535138E+03 0.47170E-04 -0.68834E-05 3424 0.235E-02 0.479E-02 RMM: 7 -0.328085547866E+03 -0.12728E-04 -0.61829E-05 3397 0.204E-02 3262 T= 6935. E= 0.67166122E+03 F= 0.61428859E+03 E0= 0.64226806E+03 EK= 0.57373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327991639435E+03 0.93896E-01 -0.18084E-01 7764 0.249E+01 0.256E-01 RMM: 2 -0.328006127192E+03 -0.14488E-01 -0.10688E-01 5019 0.772E-01 0.926E-01 RMM: 3 -0.328000040912E+03 0.60863E-02 -0.12031E-02 5760 0.215E-01 0.187E-01 RMM: 4 -0.327999910481E+03 0.13043E-03 -0.97602E-04 4647 0.730E-02 0.204E-01 RMM: 5 -0.327999640339E+03 0.27014E-03 -0.20245E-04 3884 0.361E-02 0.903E-02 RMM: 6 -0.327999610177E+03 0.30162E-04 -0.61989E-05 3386 0.226E-02 0.646E-02 RMM: 7 -0.327999646427E+03 -0.36251E-04 -0.68369E-05 3577 0.221E-02 0.101E-01 RMM: 8 -0.327999579284E+03 0.67143E-04 -0.36859E-05 3029 0.186E-02 0.218E-02 RMM: 9 -0.327999580914E+03 -0.16293E-05 -0.10867E-05 2476 0.961E-03 3263 T= 6911. E= 0.67165975E+03 F= 0.61448774E+03 E0= 0.64245540E+03 EK= 0.57172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327867407020E+03 0.13217E+00 -0.18330E-01 7872 0.246E+01 0.245E-01 RMM: 2 -0.327883010968E+03 -0.15604E-01 -0.11209E-01 4969 0.783E-01 0.966E-01 RMM: 3 -0.327876345909E+03 0.66651E-02 -0.12615E-02 5755 0.217E-01 0.160E-01 RMM: 4 -0.327876276384E+03 0.69526E-04 -0.90286E-04 4671 0.705E-02 0.208E-01 RMM: 5 -0.327875996864E+03 0.27952E-03 -0.20659E-04 3889 0.375E-02 0.943E-02 RMM: 6 -0.327875951684E+03 0.45180E-04 -0.91312E-05 3613 0.270E-02 0.562E-02 RMM: 7 -0.327875964936E+03 -0.13252E-04 -0.54838E-05 3232 0.206E-02 3264 T= 6718. E= 0.67030324E+03 F= 0.61473086E+03 E0= 0.64269143E+03 EK= 0.55572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327808963933E+03 0.66988E-01 -0.17737E-01 7848 0.240E+01 0.211E-01 RMM: 2 -0.327821290591E+03 -0.12327E-01 -0.10836E-01 4940 0.763E-01 0.666E-01 RMM: 3 -0.327817914352E+03 0.33762E-02 -0.11833E-02 5984 0.203E-01 0.155E-01 RMM: 4 -0.327817749269E+03 0.16508E-03 -0.68260E-04 4630 0.647E-02 0.182E-01 RMM: 5 -0.327817525915E+03 0.22335E-03 -0.20371E-04 3895 0.395E-02 0.788E-02 RMM: 6 -0.327817558517E+03 -0.32602E-04 -0.96620E-05 3661 0.273E-02 0.106E-01 RMM: 7 -0.327817532395E+03 0.26122E-04 -0.56456E-05 3338 0.225E-02 0.873E-02 RMM: 8 -0.327817483844E+03 0.48551E-04 -0.29800E-05 2890 0.172E-02 0.228E-02 RMM: 9 -0.327817492234E+03 -0.83901E-05 -0.14058E-05 2481 0.110E-02 3265 T= 6446. E= 0.66824271E+03 F= 0.61491644E+03 E0= 0.64287492E+03 EK= 0.53326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327874310850E+03 -0.56827E-01 -0.17652E-01 8064 0.235E+01 0.188E-01 RMM: 2 -0.327886900697E+03 -0.12590E-01 -0.11443E-01 5036 0.757E-01 0.598E-01 RMM: 3 -0.327883738719E+03 0.31620E-02 -0.11085E-02 5993 0.193E-01 0.135E-01 RMM: 4 -0.327883650384E+03 0.88335E-04 -0.67003E-04 4682 0.647E-02 0.186E-01 RMM: 5 -0.327883418097E+03 0.23229E-03 -0.19412E-04 3893 0.384E-02 0.720E-02 RMM: 6 -0.327883423001E+03 -0.49034E-05 -0.79374E-05 3539 0.252E-02 3266 T= 6203. E= 0.66629836E+03 F= 0.61498588E+03 E0= 0.64294738E+03 EK= 0.51312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328070103077E+03 -0.18668E+00 -0.17515E-01 7992 0.232E+01 0.299E-01 RMM: 2 -0.328092303697E+03 -0.22201E-01 -0.12001E-01 4958 0.792E-01 0.133E+00 RMM: 3 -0.328079449422E+03 0.12854E-01 -0.13790E-02 5501 0.257E-01 0.236E-01 RMM: 4 -0.328079199627E+03 0.24980E-03 -0.13852E-03 4740 0.806E-02 0.186E-01 RMM: 5 -0.328079087621E+03 0.11201E-03 -0.33773E-04 4166 0.476E-02 0.157E-01 RMM: 6 -0.328078943720E+03 0.14390E-03 -0.15170E-04 3872 0.337E-02 0.721E-02 RMM: 7 -0.328079009122E+03 -0.65402E-04 -0.10206E-04 3786 0.276E-02 0.120E-01 RMM: 8 -0.328078917589E+03 0.91533E-04 -0.54599E-05 3331 0.231E-02 0.346E-02 RMM: 9 -0.328078916066E+03 0.15226E-05 -0.14149E-05 2512 0.112E-02 3267 T= 6065. E= 0.66510859E+03 F= 0.61493377E+03 E0= 0.64290413E+03 EK= 0.50175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328361464922E+03 -0.28255E+00 -0.17895E-01 8052 0.231E+01 0.316E-01 RMM: 2 -0.328390369569E+03 -0.28905E-01 -0.11700E-01 5005 0.768E-01 0.166E+00 RMM: 3 -0.328370111138E+03 0.20258E-01 -0.13985E-02 5443 0.267E-01 0.219E-01 RMM: 4 -0.328369979210E+03 0.13193E-03 -0.16389E-03 4801 0.873E-02 0.203E-01 RMM: 5 -0.328369865046E+03 0.11416E-03 -0.30733E-04 3932 0.444E-02 0.167E-01 RMM: 6 -0.328369672180E+03 0.19287E-03 -0.11962E-04 3799 0.310E-02 0.367E-02 RMM: 7 -0.328369708630E+03 -0.36451E-04 -0.45044E-05 3104 0.189E-02 0.854E-02 RMM: 8 -0.328369663712E+03 0.44918E-04 -0.29717E-05 2767 0.183E-02 0.221E-02 RMM: 9 -0.328369663454E+03 0.25837E-06 -0.81993E-06 2461 0.818E-03 3268 T= 6068. E= 0.66499252E+03 F= 0.61479329E+03 E0= 0.64277509E+03 EK= 0.50199E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328690364525E+03 -0.32070E+00 -0.19034E-01 8196 0.233E+01 0.266E-01 RMM: 2 -0.328706192943E+03 -0.15828E-01 -0.12263E-01 5198 0.762E-01 0.900E-01 RMM: 3 -0.328699892670E+03 0.63003E-02 -0.11794E-02 5804 0.214E-01 0.180E-01 RMM: 4 -0.328699993880E+03 -0.10121E-03 -0.10718E-03 4686 0.762E-02 0.266E-01 RMM: 5 -0.328699542513E+03 0.45137E-03 -0.28241E-04 3928 0.430E-02 0.108E-01 RMM: 6 -0.328699484523E+03 0.57990E-04 -0.92057E-05 3606 0.267E-02 0.642E-02 RMM: 7 -0.328699519996E+03 -0.35473E-04 -0.60028E-05 3376 0.214E-02 0.986E-02 RMM: 8 -0.328699457001E+03 0.62996E-04 -0.33512E-05 2935 0.187E-02 0.255E-02 RMM: 9 -0.328699457439E+03 -0.43847E-06 -0.11149E-05 2473 0.962E-03 3269 T= 6204. E= 0.66594227E+03 F= 0.61461904E+03 E0= 0.64261431E+03 EK= 0.51323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328989198295E+03 -0.28974E+00 -0.20692E-01 8196 0.237E+01 0.275E-01 RMM: 2 -0.329007979416E+03 -0.18781E-01 -0.15021E-01 5103 0.843E-01 0.928E-01 RMM: 3 -0.329001278668E+03 0.67007E-02 -0.14706E-02 5921 0.226E-01 0.179E-01 RMM: 4 -0.329001339677E+03 -0.61009E-04 -0.12477E-03 4741 0.847E-02 0.283E-01 RMM: 5 -0.329000837790E+03 0.50189E-03 -0.33033E-04 4011 0.470E-02 0.108E-01 RMM: 6 -0.329000769871E+03 0.67919E-04 -0.79126E-05 3523 0.251E-02 0.537E-02 RMM: 7 -0.329000809014E+03 -0.39143E-04 -0.56493E-05 3326 0.205E-02 0.955E-02 RMM: 8 -0.329000750451E+03 0.58563E-04 -0.35278E-05 2940 0.190E-02 0.225E-02 RMM: 9 -0.329000753283E+03 -0.28315E-05 -0.11072E-05 2476 0.942E-03 3270 T= 6426. E= 0.66763928E+03 F= 0.61447705E+03 E0= 0.64248579E+03 EK= 0.53162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329191711551E+03 -0.19096E+00 -0.21488E-01 8520 0.241E+01 0.264E-01 RMM: 2 -0.329209020931E+03 -0.17309E-01 -0.15574E-01 5169 0.852E-01 0.746E-01 RMM: 3 -0.329204322965E+03 0.46980E-02 -0.14196E-02 6016 0.218E-01 0.166E-01 RMM: 4 -0.329204484277E+03 -0.16131E-03 -0.11362E-03 4727 0.811E-02 0.303E-01 RMM: 5 -0.329203877901E+03 0.60638E-03 -0.35548E-04 4094 0.492E-02 0.918E-02 RMM: 6 -0.329203835992E+03 0.41909E-04 -0.77381E-05 3508 0.243E-02 0.594E-02 RMM: 7 -0.329203858606E+03 -0.22614E-04 -0.54749E-05 3292 0.206E-02 0.868E-02 RMM: 8 -0.329203809935E+03 0.48671E-04 -0.30253E-05 2810 0.173E-02 0.240E-02 RMM: 9 -0.329203812960E+03 -0.30251E-05 -0.11960E-05 2480 0.984E-03 3271 T= 6656. E= 0.66949973E+03 F= 0.61443620E+03 E0= 0.64245794E+03 EK= 0.55064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329236012628E+03 -0.32203E-01 -0.23397E-01 8616 0.244E+01 0.268E-01 RMM: 2 -0.329254057528E+03 -0.18045E-01 -0.16195E-01 5247 0.876E-01 0.765E-01 RMM: 3 -0.329248984901E+03 0.50726E-02 -0.13770E-02 6000 0.222E-01 0.167E-01 RMM: 4 -0.329249173519E+03 -0.18862E-03 -0.11423E-03 4769 0.818E-02 0.306E-01 RMM: 5 -0.329248545323E+03 0.62820E-03 -0.36091E-04 4108 0.495E-02 0.896E-02 RMM: 6 -0.329248509791E+03 0.35531E-04 -0.72997E-05 3472 0.234E-02 0.636E-02 RMM: 7 -0.329248528679E+03 -0.18887E-04 -0.59873E-05 3457 0.207E-02 3272 T= 6803. E= 0.67083750E+03 F= 0.61455675E+03 E0= 0.64259063E+03 EK= 0.56281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329086233815E+03 0.16228E+00 -0.23299E-01 8928 0.245E+01 0.268E-01 RMM: 2 -0.329103244967E+03 -0.17011E-01 -0.15017E-01 5333 0.835E-01 0.764E-01 RMM: 3 -0.329098167727E+03 0.50772E-02 -0.11974E-02 5952 0.210E-01 0.186E-01 RMM: 4 -0.329098315754E+03 -0.14803E-03 -0.11523E-03 4719 0.820E-02 0.296E-01 RMM: 5 -0.329097716101E+03 0.59965E-03 -0.36542E-04 4021 0.491E-02 0.801E-02 RMM: 6 -0.329097717835E+03 -0.17341E-05 -0.77975E-05 3564 0.240E-02 3273 T= 6804. E= 0.67116639E+03 F= 0.61487690E+03 E0= 0.64292152E+03 EK= 0.56289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328729114517E+03 0.36860E+00 -0.23453E-01 8772 0.244E+01 0.319E-01 RMM: 2 -0.328752776301E+03 -0.23662E-01 -0.15531E-01 5235 0.864E-01 0.123E+00 RMM: 3 -0.328741325937E+03 0.11450E-01 -0.14769E-02 5467 0.268E-01 0.243E-01 RMM: 4 -0.328741275080E+03 0.50857E-04 -0.15766E-03 4884 0.859E-02 0.259E-01 RMM: 5 -0.328740908122E+03 0.36696E-03 -0.35767E-04 4045 0.471E-02 0.145E-01 RMM: 6 -0.328740783590E+03 0.12453E-03 -0.15373E-04 3875 0.343E-02 0.648E-02 RMM: 7 -0.328740849089E+03 -0.65499E-04 -0.87115E-05 3706 0.252E-02 0.118E-01 RMM: 8 -0.328740762980E+03 0.86109E-04 -0.42202E-05 3124 0.202E-02 0.397E-02 RMM: 9 -0.328740756043E+03 0.69377E-05 -0.14853E-05 2499 0.112E-02 3274 T= 6656. E= 0.67047537E+03 F= 0.61540876E+03 E0= 0.64346364E+03 EK= 0.55067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328182985940E+03 0.55778E+00 -0.21820E-01 8880 0.240E+01 0.351E-01 RMM: 2 -0.328211480997E+03 -0.28495E-01 -0.14475E-01 5105 0.854E-01 0.156E+00 RMM: 3 -0.328194140777E+03 0.17340E-01 -0.15615E-02 5451 0.284E-01 0.346E-01 RMM: 4 -0.328193391782E+03 0.74900E-03 -0.20219E-03 5013 0.100E-01 0.184E-01 RMM: 5 -0.328193276707E+03 0.11508E-03 -0.35800E-04 4082 0.482E-02 0.154E-01 RMM: 6 -0.328193126167E+03 0.15054E-03 -0.11520E-04 3849 0.295E-02 0.548E-02 RMM: 7 -0.328193173544E+03 -0.47377E-04 -0.73535E-05 3510 0.219E-02 0.104E-01 RMM: 8 -0.328193103436E+03 0.70108E-04 -0.50267E-05 3233 0.224E-02 0.298E-02 RMM: 9 -0.328193100208E+03 0.32277E-05 -0.11056E-05 2480 0.974E-03 3275 T= 6419. E= 0.66924172E+03 F= 0.61613821E+03 E0= 0.64420232E+03 EK= 0.53104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327475710329E+03 0.71739E+00 -0.20398E-01 8808 0.236E+01 0.245E-01 RMM: 2 -0.327490098005E+03 -0.14388E-01 -0.12687E-01 5229 0.778E-01 0.689E-01 RMM: 3 -0.327485850274E+03 0.42477E-02 -0.10573E-02 5678 0.211E-01 0.197E-01 RMM: 4 -0.327485871279E+03 -0.21005E-04 -0.10086E-03 4710 0.759E-02 0.246E-01 RMM: 5 -0.327485486087E+03 0.38519E-03 -0.32944E-04 4058 0.477E-02 0.113E-01 RMM: 6 -0.327485446237E+03 0.39851E-04 -0.12245E-04 3844 0.304E-02 0.869E-02 RMM: 7 -0.327485473207E+03 -0.26970E-04 -0.70110E-05 3516 0.230E-02 0.109E-01 RMM: 8 -0.327485395467E+03 0.77740E-04 -0.42233E-05 3150 0.205E-02 0.259E-02 RMM: 9 -0.327485398150E+03 -0.26824E-05 -0.12533E-05 2481 0.102E-02 3276 T= 6181. E= 0.66816983E+03 F= 0.61703512E+03 E0= 0.64510742E+03 EK= 0.51135E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326637875897E+03 0.84752E+00 -0.19313E-01 8832 0.233E+01 0.254E-01 RMM: 2 -0.326653709283E+03 -0.15833E-01 -0.12378E-01 5067 0.791E-01 0.869E-01 RMM: 3 -0.326647720776E+03 0.59885E-02 -0.11806E-02 5817 0.220E-01 0.189E-01 RMM: 4 -0.326647691179E+03 0.29597E-04 -0.10829E-03 4737 0.792E-02 0.238E-01 RMM: 5 -0.326647347732E+03 0.34345E-03 -0.32217E-04 4112 0.478E-02 0.113E-01 RMM: 6 -0.326647291875E+03 0.55857E-04 -0.10595E-04 3787 0.282E-02 0.748E-02 RMM: 7 -0.326647332361E+03 -0.40486E-04 -0.69156E-05 3485 0.227E-02 0.109E-01 RMM: 8 -0.326647255515E+03 0.76847E-04 -0.40264E-05 3120 0.203E-02 0.241E-02 RMM: 9 -0.326647257707E+03 -0.21925E-05 -0.10544E-05 2479 0.930E-03 3277 T= 6022. E= 0.66788717E+03 F= 0.61806922E+03 E0= 0.64614817E+03 EK= 0.49818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325687175492E+03 0.96008E+00 -0.18634E-01 8616 0.232E+01 0.243E-01 RMM: 2 -0.325700516002E+03 -0.13341E-01 -0.12425E-01 5025 0.800E-01 0.616E-01 RMM: 3 -0.325697302723E+03 0.32133E-02 -0.12357E-02 5961 0.215E-01 0.186E-01 RMM: 4 -0.325697277266E+03 0.25457E-04 -0.94481E-04 4735 0.754E-02 0.253E-01 RMM: 5 -0.325696860732E+03 0.41653E-03 -0.32777E-04 4130 0.483E-02 0.104E-01 RMM: 6 -0.325696832282E+03 0.28451E-04 -0.11992E-04 3838 0.299E-02 0.863E-02 RMM: 7 -0.325696845675E+03 -0.13394E-04 -0.59102E-05 3380 0.220E-02 3278 T= 5990. E= 0.66877620E+03 F= 0.61922051E+03 E0= 0.64730460E+03 EK= 0.49556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324626016873E+03 0.10708E+01 -0.18540E-01 8472 0.233E+01 0.271E-01 RMM: 2 -0.324640474184E+03 -0.14457E-01 -0.12439E-01 5042 0.807E-01 0.766E-01 RMM: 3 -0.324635966905E+03 0.45073E-02 -0.12885E-02 5902 0.220E-01 0.210E-01 RMM: 4 -0.324635996416E+03 -0.29511E-04 -0.11506E-03 4798 0.823E-02 0.285E-01 RMM: 5 -0.324635478400E+03 0.51802E-03 -0.34969E-04 4059 0.484E-02 0.115E-01 RMM: 6 -0.324635434098E+03 0.44302E-04 -0.11519E-04 3817 0.292E-02 0.873E-02 RMM: 7 -0.324635453580E+03 -0.19482E-04 -0.78149E-05 3649 0.233E-02 3279 T= 6098. E= 0.67092980E+03 F= 0.62048521E+03 E0= 0.64857157E+03 EK= 0.50445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323440980245E+03 0.11945E+01 -0.18586E-01 8376 0.236E+01 0.262E-01 RMM: 2 -0.323455749199E+03 -0.14769E-01 -0.12696E-01 5093 0.814E-01 0.770E-01 RMM: 3 -0.323451022930E+03 0.47263E-02 -0.12496E-02 5848 0.220E-01 0.187E-01 RMM: 4 -0.323451117807E+03 -0.94877E-04 -0.10856E-03 4804 0.792E-02 0.276E-01 RMM: 5 -0.323450647009E+03 0.47080E-03 -0.30897E-04 3949 0.454E-02 0.122E-01 RMM: 6 -0.323450567154E+03 0.79855E-04 -0.12132E-04 3836 0.307E-02 0.652E-02 RMM: 7 -0.323450620412E+03 -0.53259E-04 -0.66413E-05 3472 0.220E-02 0.111E-01 RMM: 8 -0.323450540299E+03 0.80113E-04 -0.37308E-05 3012 0.196E-02 0.302E-02 RMM: 9 -0.323450538374E+03 0.19254E-05 -0.11764E-05 2483 0.980E-03 3280 T= 6318. E= 0.67413853E+03 F= 0.62187345E+03 E0= 0.64996150E+03 EK= 0.52265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322120752040E+03 0.13298E+01 -0.18331E-01 8568 0.241E+01 0.254E-01 RMM: 2 -0.322133140374E+03 -0.12388E-01 -0.10807E-01 5215 0.754E-01 0.726E-01 RMM: 3 -0.322129034228E+03 0.41061E-02 -0.97818E-03 5822 0.198E-01 0.183E-01 RMM: 4 -0.322129204583E+03 -0.17036E-03 -0.98952E-04 4697 0.764E-02 0.284E-01 RMM: 5 -0.322128683086E+03 0.52150E-03 -0.30563E-04 3969 0.454E-02 0.107E-01 RMM: 6 -0.322128620808E+03 0.62278E-04 -0.98267E-05 3689 0.278E-02 0.613E-02 RMM: 7 -0.322128660805E+03 -0.39998E-04 -0.58589E-05 3357 0.210E-02 0.103E-01 RMM: 8 -0.322128588525E+03 0.72280E-04 -0.33757E-05 2903 0.185E-02 0.241E-02 RMM: 9 -0.322128588060E+03 0.46499E-06 -0.10721E-05 2473 0.922E-03 3281 T= 6586. E= 0.67787848E+03 F= 0.62339720E+03 E0= 0.65148493E+03 EK= 0.54481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320661098792E+03 0.14675E+01 -0.18999E-01 8448 0.246E+01 0.289E-01 RMM: 2 -0.320676244828E+03 -0.15146E-01 -0.10957E-01 5229 0.776E-01 0.975E-01 RMM: 3 -0.320669279505E+03 0.69653E-02 -0.10534E-02 5731 0.213E-01 0.193E-01 RMM: 4 -0.320669450240E+03 -0.17074E-03 -0.12372E-03 4739 0.847E-02 0.286E-01 RMM: 5 -0.320668917939E+03 0.53230E-03 -0.33266E-04 3943 0.464E-02 0.116E-01 RMM: 6 -0.320668853028E+03 0.64911E-04 -0.96024E-05 3669 0.273E-02 0.729E-02 RMM: 7 -0.320668895404E+03 -0.42376E-04 -0.93157E-05 3867 0.249E-02 0.111E-01 RMM: 8 -0.320668813204E+03 0.82201E-04 -0.48073E-05 3230 0.211E-02 0.296E-02 RMM: 9 -0.320668811983E+03 0.12207E-05 -0.12188E-05 2490 0.101E-02 3282 T= 6809. E= 0.68138717E+03 F= 0.62505708E+03 E0= 0.65314382E+03 EK= 0.56330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319091191866E+03 0.15776E+01 -0.19381E-01 8148 0.249E+01 0.274E-01 RMM: 2 -0.319105925580E+03 -0.14734E-01 -0.11324E-01 5224 0.790E-01 0.909E-01 RMM: 3 -0.319099882586E+03 0.60430E-02 -0.10628E-02 5760 0.209E-01 0.198E-01 RMM: 4 -0.319099980233E+03 -0.97647E-04 -0.11520E-03 4775 0.825E-02 0.273E-01 RMM: 5 -0.319099497457E+03 0.48278E-03 -0.31120E-04 3921 0.450E-02 0.114E-01 RMM: 6 -0.319099440621E+03 0.56836E-04 -0.10636E-04 3730 0.289E-02 0.764E-02 RMM: 7 -0.319099490388E+03 -0.49767E-04 -0.87907E-05 3818 0.246E-02 0.117E-01 RMM: 8 -0.319099399373E+03 0.91014E-04 -0.47187E-05 3214 0.209E-02 0.310E-02 RMM: 9 -0.319099397054E+03 0.23197E-05 -0.12363E-05 2489 0.101E-02 3283 T= 6901. E= 0.68391906E+03 F= 0.62682603E+03 E0= 0.65491204E+03 EK= 0.57093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317476391163E+03 0.16230E+01 -0.19386E-01 7980 0.249E+01 0.263E-01 RMM: 2 -0.317491566054E+03 -0.15175E-01 -0.11230E-01 5049 0.804E-01 0.928E-01 RMM: 3 -0.317485163831E+03 0.64022E-02 -0.11393E-02 5704 0.222E-01 0.177E-01 RMM: 4 -0.317485311554E+03 -0.14772E-03 -0.10973E-03 4848 0.810E-02 0.268E-01 RMM: 5 -0.317484862230E+03 0.44932E-03 -0.29605E-04 3920 0.448E-02 0.123E-01 RMM: 6 -0.317484790836E+03 0.71393E-04 -0.11705E-04 3839 0.298E-02 0.783E-02 RMM: 7 -0.317484819733E+03 -0.28897E-04 -0.90933E-05 3812 0.256E-02 0.105E-01 RMM: 8 -0.317484746138E+03 0.73595E-04 -0.42111E-05 3163 0.200E-02 0.263E-02 RMM: 9 -0.317484747088E+03 -0.94996E-06 -0.10956E-05 2481 0.940E-03 3284 T= 6826. E= 0.68511216E+03 F= 0.62864167E+03 E0= 0.65672837E+03 EK= 0.56470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315907392367E+03 0.15774E+01 -0.18584E-01 7728 0.247E+01 0.252E-01 RMM: 2 -0.315920459326E+03 -0.13067E-01 -0.10539E-01 5044 0.786E-01 0.813E-01 RMM: 3 -0.315915724685E+03 0.47346E-02 -0.10681E-02 5708 0.216E-01 0.188E-01 RMM: 4 -0.315915783591E+03 -0.58905E-04 -0.97387E-04 4844 0.770E-02 0.248E-01 RMM: 5 -0.315915386811E+03 0.39678E-03 -0.30123E-04 4020 0.461E-02 0.114E-01 RMM: 6 -0.315915351495E+03 0.35316E-04 -0.12732E-04 3862 0.309E-02 0.925E-02 RMM: 7 -0.315915370199E+03 -0.18704E-04 -0.79278E-05 3655 0.243E-02 3285 T= 6621. E= 0.68518619E+03 F= 0.63041562E+03 E0= 0.65850476E+03 EK= 0.54771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314479581056E+03 0.14358E+01 -0.18287E-01 7728 0.243E+01 0.276E-01 RMM: 2 -0.314492807980E+03 -0.13227E-01 -0.10143E-01 5045 0.780E-01 0.871E-01 RMM: 3 -0.314487470587E+03 0.53374E-02 -0.10785E-02 5560 0.222E-01 0.221E-01 RMM: 4 -0.314487459131E+03 0.11456E-04 -0.10701E-03 4870 0.791E-02 0.250E-01 RMM: 5 -0.314487072264E+03 0.38687E-03 -0.35772E-04 4203 0.510E-02 0.128E-01 RMM: 6 -0.314487033777E+03 0.38487E-04 -0.15912E-04 3884 0.339E-02 0.109E-01 RMM: 7 -0.314487056272E+03 -0.22495E-04 -0.10982E-04 3879 0.288E-02 0.123E-01 RMM: 8 -0.314486956944E+03 0.99328E-04 -0.55029E-05 3341 0.225E-02 0.327E-02 RMM: 9 -0.314486959324E+03 -0.23803E-05 -0.14417E-05 2513 0.109E-02 3286 T= 6374. E= 0.68478494E+03 F= 0.63205366E+03 E0= 0.66014593E+03 EK= 0.52731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313276171188E+03 0.12108E+01 -0.17042E-01 7656 0.239E+01 0.233E-01 RMM: 2 -0.313288316156E+03 -0.12145E-01 -0.97992E-02 5016 0.754E-01 0.772E-01 RMM: 3 -0.313283920854E+03 0.43953E-02 -0.98843E-03 5594 0.210E-01 0.170E-01 RMM: 4 -0.313284071488E+03 -0.15063E-03 -0.90912E-04 4817 0.743E-02 0.253E-01 RMM: 5 -0.313283661596E+03 0.40989E-03 -0.30031E-04 4083 0.473E-02 0.103E-01 RMM: 6 -0.313283636518E+03 0.25078E-04 -0.13105E-04 3857 0.315E-02 0.855E-02 RMM: 7 -0.313283639149E+03 -0.26307E-05 -0.50474E-05 3253 0.207E-02 3287 T= 6183. E= 0.68462162E+03 F= 0.63347198E+03 E0= 0.66156767E+03 EK= 0.51150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312362127573E+03 0.92151E+00 -0.16524E-01 7848 0.237E+01 0.278E-01 RMM: 2 -0.312373214665E+03 -0.11087E-01 -0.95544E-02 5079 0.752E-01 0.726E-01 RMM: 3 -0.312369465164E+03 0.37495E-02 -0.99222E-03 5677 0.204E-01 0.216E-01 RMM: 4 -0.312369662361E+03 -0.19720E-03 -0.11006E-03 4834 0.825E-02 0.306E-01 RMM: 5 -0.312369037340E+03 0.62502E-03 -0.41401E-04 4303 0.539E-02 0.111E-01 RMM: 6 -0.312369038895E+03 -0.15543E-05 -0.15063E-04 3877 0.325E-02 3288 T= 6116. E= 0.68520038E+03 F= 0.63460594E+03 E0= 0.66270308E+03 EK= 0.50594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311773269879E+03 0.59577E+00 -0.17082E-01 7620 0.237E+01 0.373E-01 RMM: 2 -0.311798681696E+03 -0.25412E-01 -0.11582E-01 4994 0.824E-01 0.158E+00 RMM: 3 -0.311781533880E+03 0.17148E-01 -0.16816E-02 5360 0.304E-01 0.232E-01 RMM: 4 -0.311781554624E+03 -0.20744E-04 -0.17645E-03 4987 0.898E-02 0.261E-01 RMM: 5 -0.311781205323E+03 0.34930E-03 -0.39348E-04 4190 0.504E-02 0.158E-01 RMM: 6 -0.311781068487E+03 0.13684E-03 -0.17350E-04 3874 0.361E-02 0.755E-02 RMM: 7 -0.311781136822E+03 -0.68335E-04 -0.88005E-05 3638 0.255E-02 0.123E-01 RMM: 8 -0.311781043407E+03 0.93414E-04 -0.48667E-05 3233 0.219E-02 0.412E-02 RMM: 9 -0.311781037540E+03 0.58675E-05 -0.14424E-05 2505 0.111E-02 3289 T= 6199. E= 0.68670178E+03 F= 0.63541581E+03 E0= 0.66351163E+03 EK= 0.51286E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311533509100E+03 0.24753E+00 -0.16747E-01 7680 0.240E+01 0.357E-01 RMM: 2 -0.311557085977E+03 -0.23577E-01 -0.10457E-01 5095 0.770E-01 0.152E+00 RMM: 3 -0.311540909770E+03 0.16176E-01 -0.14307E-02 5345 0.285E-01 0.314E-01 RMM: 4 -0.311540619328E+03 0.29044E-03 -0.19910E-03 5051 0.996E-02 0.257E-01 RMM: 5 -0.311540354430E+03 0.26490E-03 -0.39195E-04 4302 0.510E-02 0.184E-01 RMM: 6 -0.311540124711E+03 0.22972E-03 -0.12315E-04 3825 0.304E-02 0.455E-02 RMM: 7 -0.311540147041E+03 -0.22330E-04 -0.51834E-05 3245 0.196E-02 0.791E-02 RMM: 8 -0.311540106522E+03 0.40518E-04 -0.36095E-05 2886 0.192E-02 0.314E-02 RMM: 9 -0.311540102734E+03 0.37884E-05 -0.12054E-05 2479 0.103E-02 3290 T= 6415. E= 0.68894887E+03 F= 0.63587924E+03 E0= 0.66397095E+03 EK= 0.53070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311642769649E+03 -0.10266E+00 -0.16814E-01 7716 0.243E+01 0.336E-01 RMM: 2 -0.311660791017E+03 -0.18021E-01 -0.10238E-01 5147 0.765E-01 0.123E+00 RMM: 3 -0.311650204250E+03 0.10587E-01 -0.11729E-02 5443 0.239E-01 0.241E-01 RMM: 4 -0.311650457140E+03 -0.25289E-03 -0.16981E-03 4873 0.965E-02 0.323E-01 RMM: 5 -0.311649827234E+03 0.62991E-03 -0.42364E-04 4184 0.515E-02 0.152E-01 RMM: 6 -0.311649687753E+03 0.13948E-03 -0.13605E-04 3860 0.321E-02 0.636E-02 RMM: 7 -0.311649745686E+03 -0.57932E-04 -0.84452E-05 3666 0.245E-02 0.115E-01 RMM: 8 -0.311649662094E+03 0.83592E-04 -0.47057E-05 3198 0.209E-02 0.380E-02 RMM: 9 -0.311649656378E+03 0.57163E-05 -0.14674E-05 2503 0.112E-02 3291 T= 6697. E= 0.69139694E+03 F= 0.63599174E+03 E0= 0.66407689E+03 EK= 0.55405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312090629873E+03 -0.44097E+00 -0.17247E-01 7872 0.247E+01 0.310E-01 RMM: 2 -0.312105597586E+03 -0.14968E-01 -0.11082E-01 5124 0.791E-01 0.968E-01 RMM: 3 -0.312098849363E+03 0.67482E-02 -0.11968E-02 5604 0.229E-01 0.208E-01 RMM: 4 -0.312099324919E+03 -0.47556E-03 -0.14702E-03 4860 0.923E-02 0.356E-01 RMM: 5 -0.312098516696E+03 0.80822E-03 -0.42040E-04 4165 0.520E-02 0.133E-01 RMM: 6 -0.312098408341E+03 0.10836E-03 -0.11653E-04 3781 0.293E-02 0.562E-02 RMM: 7 -0.312098452826E+03 -0.44485E-04 -0.65750E-05 3453 0.221E-02 0.101E-01 RMM: 8 -0.312098387547E+03 0.65279E-04 -0.41798E-05 3061 0.197E-02 0.290E-02 RMM: 9 -0.312098388944E+03 -0.13976E-05 -0.16159E-05 2495 0.117E-02 3292 T= 6944. E= 0.69321138E+03 F= 0.63576506E+03 E0= 0.66384288E+03 EK= 0.57446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312856978125E+03 -0.75859E+00 -0.17643E-01 7896 0.250E+01 0.295E-01 RMM: 2 -0.312869898218E+03 -0.12920E-01 -0.11626E-01 5098 0.801E-01 0.746E-01 RMM: 3 -0.312866062071E+03 0.38361E-02 -0.12356E-02 5826 0.214E-01 0.208E-01 RMM: 4 -0.312866359422E+03 -0.29735E-03 -0.12802E-03 4818 0.883E-02 0.343E-01 RMM: 5 -0.312865570370E+03 0.78905E-03 -0.45508E-04 4288 0.555E-02 0.109E-01 RMM: 6 -0.312865512907E+03 0.57463E-04 -0.10023E-04 3738 0.270E-02 0.679E-02 RMM: 7 -0.312865539453E+03 -0.26546E-04 -0.65617E-05 3489 0.219E-02 0.965E-02 RMM: 8 -0.312865477855E+03 0.61598E-04 -0.39474E-05 3041 0.194E-02 0.277E-02 RMM: 9 -0.312865481012E+03 -0.31574E-05 -0.14367E-05 2490 0.109E-02 3293 T= 7052. E= 0.69356229E+03 F= 0.63522202E+03 E0= 0.66329395E+03 EK= 0.58340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313912733458E+03 -0.10473E+01 -0.18003E-01 7872 0.250E+01 0.300E-01 RMM: 2 -0.313927866283E+03 -0.15133E-01 -0.12866E-01 5039 0.844E-01 0.838E-01 RMM: 3 -0.313922685365E+03 0.51809E-02 -0.13685E-02 5792 0.229E-01 0.205E-01 RMM: 4 -0.313922983652E+03 -0.29829E-03 -0.13968E-03 4881 0.921E-02 0.343E-01 RMM: 5 -0.313922248195E+03 0.73546E-03 -0.44595E-04 4286 0.542E-02 0.139E-01 RMM: 6 -0.313922134876E+03 0.11332E-03 -0.13473E-04 3864 0.311E-02 0.630E-02 RMM: 7 -0.313922190187E+03 -0.55311E-04 -0.77033E-05 3617 0.238E-02 0.113E-01 RMM: 8 -0.313922106845E+03 0.83342E-04 -0.40026E-05 3083 0.197E-02 0.298E-02 RMM: 9 -0.313922106973E+03 -0.12885E-06 -0.14075E-05 2490 0.107E-02 3294 T= 6972. E= 0.69206787E+03 F= 0.63439463E+03 E0= 0.66246472E+03 EK= 0.57673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315226684690E+03 -0.13046E+01 -0.17500E-01 7824 0.247E+01 0.294E-01 RMM: 2 -0.315240831060E+03 -0.14146E-01 -0.12133E-01 5112 0.810E-01 0.813E-01 RMM: 3 -0.315236067131E+03 0.47639E-02 -0.12293E-02 5886 0.210E-01 0.196E-01 RMM: 4 -0.315236308738E+03 -0.24161E-03 -0.13390E-03 4848 0.930E-02 0.329E-01 RMM: 5 -0.315235602602E+03 0.70614E-03 -0.45974E-04 4286 0.559E-02 0.123E-01 RMM: 6 -0.315235542273E+03 0.60329E-04 -0.13869E-04 3880 0.314E-02 0.867E-02 RMM: 7 -0.315235564395E+03 -0.22122E-04 -0.76511E-05 3577 0.241E-02 0.107E-01 RMM: 8 -0.315235490596E+03 0.73799E-04 -0.40144E-05 3126 0.196E-02 0.252E-02 RMM: 9 -0.315235494305E+03 -0.37088E-05 -0.11856E-05 2482 0.974E-03 3295 T= 6736. E= 0.68904508E+03 F= 0.63331916E+03 E0= 0.66139352E+03 EK= 0.55726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316759982516E+03 -0.15245E+01 -0.16987E-01 7848 0.242E+01 0.303E-01 RMM: 2 -0.316775477553E+03 -0.15495E-01 -0.11907E-01 5103 0.810E-01 0.945E-01 RMM: 3 -0.316769001971E+03 0.64756E-02 -0.12224E-02 5751 0.221E-01 0.217E-01 RMM: 4 -0.316769223004E+03 -0.22103E-03 -0.14616E-03 4881 0.948E-02 0.326E-01 RMM: 5 -0.316768571844E+03 0.65116E-03 -0.50095E-04 4540 0.587E-02 0.147E-01 RMM: 6 -0.316768458567E+03 0.11328E-03 -0.15533E-04 3874 0.320E-02 0.789E-02 RMM: 7 -0.316768508052E+03 -0.49484E-04 -0.87532E-05 3693 0.258E-02 0.117E-01 RMM: 8 -0.316768417222E+03 0.90830E-04 -0.43537E-05 3177 0.205E-02 0.263E-02 RMM: 9 -0.316768419639E+03 -0.24179E-05 -0.11490E-05 2490 0.952E-03 3296 T= 6441. E= 0.68532026E+03 F= 0.63203568E+03 E0= 0.66012156E+03 EK= 0.53285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318473719213E+03 -0.17053E+01 -0.16500E-01 7992 0.238E+01 0.312E-01 RMM: 2 -0.318487838238E+03 -0.14119E-01 -0.11000E-01 5130 0.783E-01 0.919E-01 RMM: 3 -0.318481868619E+03 0.59696E-02 -0.11431E-02 5782 0.211E-01 0.209E-01 RMM: 4 -0.318482142277E+03 -0.27366E-03 -0.14765E-03 4852 0.970E-02 0.336E-01 RMM: 5 -0.318481407667E+03 0.73461E-03 -0.52806E-04 4518 0.607E-02 0.132E-01 RMM: 6 -0.318481350178E+03 0.57490E-04 -0.16767E-04 3872 0.338E-02 0.100E-01 RMM: 7 -0.318481370839E+03 -0.20661E-04 -0.81101E-05 3608 0.256E-02 0.116E-01 RMM: 8 -0.318481282340E+03 0.88498E-04 -0.42208E-05 3187 0.199E-02 0.252E-02 RMM: 9 -0.318481286813E+03 -0.44725E-05 -0.11374E-05 2484 0.941E-03 3297 T= 6189. E= 0.68178815E+03 F= 0.63058516E+03 E0= 0.65868964E+03 EK= 0.51203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320322557943E+03 -0.18413E+01 -0.15988E-01 8040 0.235E+01 0.320E-01 RMM: 2 -0.320336526175E+03 -0.13968E-01 -0.11109E-01 5095 0.786E-01 0.909E-01 RMM: 3 -0.320330765919E+03 0.57603E-02 -0.12079E-02 5710 0.219E-01 0.233E-01 RMM: 4 -0.320331127069E+03 -0.36115E-03 -0.15859E-03 4905 0.991E-02 0.361E-01 RMM: 5 -0.320330291226E+03 0.83584E-03 -0.57454E-04 4575 0.628E-02 0.146E-01 RMM: 6 -0.320330185485E+03 0.10574E-03 -0.16446E-04 3872 0.328E-02 0.851E-02 RMM: 7 -0.320330231242E+03 -0.45757E-04 -0.87989E-05 3701 0.262E-02 0.119E-01 RMM: 8 -0.320330136935E+03 0.94307E-04 -0.44642E-05 3226 0.206E-02 0.251E-02 RMM: 9 -0.320330141436E+03 -0.45014E-05 -0.11829E-05 2494 0.964E-03 3298 T= 6053. E= 0.67908566E+03 F= 0.62901105E+03 E0= 0.65714088E+03 EK= 0.50075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322252287363E+03 -0.19222E+01 -0.16696E-01 7872 0.235E+01 0.334E-01 RMM: 2 -0.322266204719E+03 -0.13917E-01 -0.11600E-01 5047 0.805E-01 0.873E-01 RMM: 3 -0.322260816957E+03 0.53878E-02 -0.12875E-02 5780 0.218E-01 0.221E-01 RMM: 4 -0.322261289657E+03 -0.47270E-03 -0.16936E-03 4941 0.104E-01 0.390E-01 RMM: 5 -0.322260261315E+03 0.10283E-02 -0.62888E-04 4575 0.659E-02 0.118E-01 RMM: 6 -0.322260226121E+03 0.35194E-04 -0.16219E-04 3876 0.329E-02 0.100E-01 RMM: 7 -0.322260241834E+03 -0.15713E-04 -0.72864E-05 3544 0.242E-02 3299 T= 6060. E= 0.67749532E+03 F= 0.62736594E+03 E0= 0.65552709E+03 EK= 0.50129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324195218846E+03 -0.19350E+01 -0.16681E-01 7836 0.237E+01 0.363E-01 RMM: 2 -0.324207595663E+03 -0.12377E-01 -0.10516E-01 5070 0.771E-01 0.870E-01 RMM: 3 -0.324202567645E+03 0.50280E-02 -0.12024E-02 5622 0.226E-01 0.276E-01 RMM: 4 -0.324203307690E+03 -0.74005E-03 -0.18310E-03 4954 0.105E-01 0.451E-01 RMM: 5 -0.324201909784E+03 0.13979E-02 -0.71123E-04 4600 0.692E-02 0.119E-01 RMM: 6 -0.324201880153E+03 0.29631E-04 -0.15202E-04 3873 0.307E-02 0.106E-01 RMM: 7 -0.324201877507E+03 0.26459E-05 -0.94732E-05 3814 0.265E-02 3300 T= 6195. E= 0.67696828E+03 F= 0.62571662E+03 E0= 0.65391205E+03 EK= 0.51252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326060019171E+03 -0.18581E+01 -0.17397E-01 7836 0.241E+01 0.349E-01 RMM: 2 -0.326072799635E+03 -0.12780E-01 -0.11867E-01 4998 0.820E-01 0.783E-01 RMM: 3 -0.326068706082E+03 0.40936E-02 -0.13372E-02 5728 0.226E-01 0.254E-01 RMM: 4 -0.326069300223E+03 -0.59414E-03 -0.17012E-03 4964 0.101E-01 0.429E-01 RMM: 5 -0.326068099821E+03 0.12004E-02 -0.65363E-04 4589 0.665E-02 0.141E-01 RMM: 6 -0.326067992271E+03 0.10755E-03 -0.16965E-04 3884 0.337E-02 0.746E-02 RMM: 7 -0.326068027832E+03 -0.35560E-04 -0.60339E-05 3385 0.218E-02 0.106E-01 RMM: 8 -0.326067954322E+03 0.73510E-04 -0.31441E-05 2906 0.178E-02 0.280E-02 RMM: 9 -0.326067958243E+03 -0.39216E-05 -0.14170E-05 2491 0.107E-02 3301 T= 6409. E= 0.67716363E+03 F= 0.62414753E+03 E0= 0.65238176E+03 EK= 0.53016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327751590354E+03 -0.16836E+01 -0.17778E-01 7788 0.245E+01 0.346E-01 RMM: 2 -0.327764605580E+03 -0.13015E-01 -0.11902E-01 4974 0.823E-01 0.810E-01 RMM: 3 -0.327760242693E+03 0.43629E-02 -0.13220E-02 5709 0.228E-01 0.255E-01 RMM: 4 -0.327760954513E+03 -0.71182E-03 -0.17054E-03 4995 0.101E-01 0.444E-01 RMM: 5 -0.327759607677E+03 0.13468E-02 -0.66545E-04 4587 0.671E-02 0.107E-01 RMM: 6 -0.327759556862E+03 0.50814E-04 -0.14005E-04 3865 0.300E-02 0.753E-02 RMM: 7 -0.327759580935E+03 -0.24073E-04 -0.55045E-05 3327 0.208E-02 0.102E-01 RMM: 8 -0.327759510803E+03 0.70133E-04 -0.33954E-05 2979 0.183E-02 0.235E-02 RMM: 9 -0.327759514197E+03 -0.33943E-05 -0.11738E-05 2479 0.966E-03 3302 T= 6619. E= 0.67751612E+03 F= 0.62275628E+03 E0= 0.65103158E+03 EK= 0.54760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329178913070E+03 -0.14194E+01 -0.17911E-01 7932 0.249E+01 0.357E-01 RMM: 2 -0.329188701340E+03 -0.97883E-02 -0.94679E-02 5103 0.739E-01 0.731E-01 RMM: 3 -0.329185413061E+03 0.32883E-02 -0.99937E-03 5668 0.203E-01 0.289E-01 RMM: 4 -0.329186058567E+03 -0.64551E-03 -0.17328E-03 4923 0.104E-01 0.449E-01 RMM: 5 -0.329184697747E+03 0.13608E-02 -0.76139E-04 4599 0.722E-02 0.119E-01 RMM: 6 -0.329184649258E+03 0.48489E-04 -0.15285E-04 3886 0.316E-02 0.922E-02 RMM: 7 -0.329184662479E+03 -0.13221E-04 -0.68055E-05 3531 0.231E-02 3303 T= 6742. E= 0.67741191E+03 F= 0.62163507E+03 E0= 0.64995224E+03 EK= 0.55777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330274183099E+03 -0.10895E+01 -0.18461E-01 7800 0.250E+01 0.366E-01 RMM: 2 -0.330284456440E+03 -0.10273E-01 -0.95786E-02 5019 0.748E-01 0.769E-01 RMM: 3 -0.330280772334E+03 0.36841E-02 -0.10913E-02 5611 0.217E-01 0.295E-01 RMM: 4 -0.330281520103E+03 -0.74777E-03 -0.17938E-03 4995 0.104E-01 0.469E-01 RMM: 5 -0.330280030753E+03 0.14894E-02 -0.78055E-04 4597 0.736E-02 0.109E-01 RMM: 6 -0.330280041109E+03 -0.10356E-04 -0.16824E-04 3880 0.330E-02 3304 T= 6724. E= 0.67647425E+03 F= 0.62084896E+03 E0= 0.64920736E+03 EK= 0.55625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331020368263E+03 -0.74034E+00 -0.19109E-01 7560 0.248E+01 0.441E-01 RMM: 2 -0.331048252459E+03 -0.27884E-01 -0.12658E-01 4791 0.865E-01 0.170E+00 RMM: 3 -0.331028862732E+03 0.19390E-01 -0.19159E-02 5380 0.326E-01 0.317E-01 RMM: 4 -0.331029099238E+03 -0.23651E-03 -0.26137E-03 5309 0.114E-01 0.385E-01 RMM: 5 -0.331028350278E+03 0.74896E-03 -0.75644E-04 4608 0.702E-02 0.231E-01 RMM: 6 -0.331028025988E+03 0.32429E-03 -0.32070E-04 3914 0.476E-02 0.896E-02 RMM: 7 -0.331028112670E+03 -0.86682E-04 -0.12430E-04 3855 0.302E-02 0.142E-01 RMM: 8 -0.331027982971E+03 0.12970E-03 -0.60656E-05 3425 0.233E-02 0.456E-02 RMM: 9 -0.331027976499E+03 0.64714E-05 -0.18275E-05 2560 0.126E-02 3305 T= 6571. E= 0.67478126E+03 F= 0.62041788E+03 E0= 0.64881366E+03 EK= 0.54363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331452573279E+03 -0.42459E+00 -0.17648E-01 7728 0.244E+01 0.454E-01 RMM: 2 -0.331486741777E+03 -0.34168E-01 -0.96254E-02 4910 0.778E-01 0.206E+00 RMM: 3 -0.331458325829E+03 0.28416E-01 -0.17430E-02 5356 0.327E-01 0.382E-01 RMM: 4 -0.331457825314E+03 0.50052E-03 -0.28626E-03 5312 0.121E-01 0.315E-01 RMM: 5 -0.331457588628E+03 0.23669E-03 -0.79018E-04 4605 0.771E-02 0.271E-01 RMM: 6 -0.331457090491E+03 0.49814E-03 -0.26144E-04 3897 0.432E-02 0.642E-02 RMM: 7 -0.331457180312E+03 -0.89820E-04 -0.13015E-04 3868 0.299E-02 0.134E-01 RMM: 8 -0.331457063893E+03 0.11642E-03 -0.56330E-05 3372 0.233E-02 0.373E-02 RMM: 9 -0.331457056966E+03 0.69272E-05 -0.10198E-05 2498 0.928E-03 3306 T= 6347. E= 0.67282492E+03 F= 0.62031498E+03 E0= 0.64874330E+03 EK= 0.52510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331617133133E+03 -0.16007E+00 -0.17322E-01 7548 0.240E+01 0.379E-01 RMM: 2 -0.331634367712E+03 -0.17235E-01 -0.10114E-01 4920 0.770E-01 0.124E+00 RMM: 3 -0.331623884364E+03 0.10483E-01 -0.12650E-02 5425 0.250E-01 0.262E-01 RMM: 4 -0.331624454706E+03 -0.57034E-03 -0.21855E-03 5196 0.113E-01 0.416E-01 RMM: 5 -0.331623414817E+03 0.10399E-02 -0.79928E-04 4600 0.762E-02 0.181E-01 RMM: 6 -0.331623266213E+03 0.14860E-03 -0.23415E-04 3889 0.401E-02 0.111E-01 RMM: 7 -0.331623248472E+03 0.17741E-04 -0.10761E-04 3843 0.309E-02 3307 T= 6137. E= 0.67125216E+03 F= 0.62048443E+03 E0= 0.64893886E+03 EK= 0.50768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331585586121E+03 0.37680E-01 -0.16887E-01 7728 0.237E+01 0.370E-01 RMM: 2 -0.331598245133E+03 -0.12659E-01 -0.95666E-02 4844 0.752E-01 0.952E-01 RMM: 3 -0.331592067061E+03 0.61781E-02 -0.11385E-02 5483 0.229E-01 0.267E-01 RMM: 4 -0.331592944855E+03 -0.87779E-03 -0.20669E-03 5206 0.112E-01 0.475E-01 RMM: 5 -0.331591528106E+03 0.14167E-02 -0.98427E-04 4604 0.864E-02 0.159E-01 RMM: 6 -0.331591458642E+03 0.69464E-04 -0.26231E-04 3893 0.416E-02 0.127E-01 RMM: 7 -0.331591448965E+03 0.96772E-05 -0.12029E-04 3864 0.322E-02 3308 T= 6012. E= 0.67059792E+03 F= 0.62085953E+03 E0= 0.64933371E+03 EK= 0.49738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331413421925E+03 0.17804E+00 -0.16932E-01 7740 0.235E+01 0.347E-01 RMM: 2 -0.331424419736E+03 -0.10998E-01 -0.93781E-02 4829 0.752E-01 0.832E-01 RMM: 3 -0.331419844939E+03 0.45748E-02 -0.11297E-02 5525 0.226E-01 0.248E-01 RMM: 4 -0.331420672018E+03 -0.82708E-03 -0.17742E-03 5118 0.105E-01 0.451E-01 RMM: 5 -0.331419346259E+03 0.13258E-02 -0.75363E-04 4608 0.738E-02 0.139E-01 RMM: 6 -0.331419301122E+03 0.45137E-04 -0.23854E-04 3887 0.398E-02 0.117E-01 RMM: 7 -0.331419297408E+03 0.37137E-05 -0.93781E-05 3720 0.289E-02 3309 T= 6016. E= 0.67114955E+03 F= 0.62137910E+03 E0= 0.64986702E+03 EK= 0.49770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331144198256E+03 0.27510E+00 -0.16884E-01 7716 0.236E+01 0.352E-01 RMM: 2 -0.331154520961E+03 -0.10323E-01 -0.82289E-02 5031 0.695E-01 0.875E-01 RMM: 3 -0.331149435287E+03 0.50857E-02 -0.92095E-03 5456 0.206E-01 0.262E-01 RMM: 4 -0.331150238884E+03 -0.80360E-03 -0.18311E-03 4974 0.105E-01 0.453E-01 RMM: 5 -0.331148938297E+03 0.13006E-02 -0.81554E-04 4602 0.773E-02 0.152E-01 RMM: 6 -0.331148828366E+03 0.10993E-03 -0.22448E-04 3893 0.388E-02 0.917E-02 RMM: 7 -0.331148846038E+03 -0.17672E-04 -0.84726E-05 3629 0.271E-02 3310 T= 6154. E= 0.67291079E+03 F= 0.62199689E+03 E0= 0.65049281E+03 EK= 0.50914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330804147791E+03 0.34468E+00 -0.17025E-01 7812 0.239E+01 0.358E-01 RMM: 2 -0.330813760787E+03 -0.96130E-02 -0.74348E-02 5117 0.666E-01 0.906E-01 RMM: 3 -0.330808490751E+03 0.52700E-02 -0.83507E-03 5416 0.203E-01 0.258E-01 RMM: 4 -0.330809431714E+03 -0.94096E-03 -0.17827E-03 4940 0.104E-01 0.464E-01 RMM: 5 -0.330808036121E+03 0.13956E-02 -0.73049E-04 4604 0.721E-02 0.149E-01 RMM: 6 -0.330807936361E+03 0.99760E-04 -0.22197E-04 3886 0.383E-02 0.953E-02 RMM: 7 -0.330807959867E+03 -0.23507E-04 -0.81547E-05 3613 0.263E-02 0.113E-01 RMM: 8 -0.330807877056E+03 0.82812E-04 -0.35300E-05 3052 0.185E-02 0.313E-02 RMM: 9 -0.330807881725E+03 -0.46697E-05 -0.14619E-05 2505 0.107E-02 3311 T= 6395. E= 0.67558286E+03 F= 0.62268154E+03 E0= 0.65118100E+03 EK= 0.52901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330415861077E+03 0.39202E+00 -0.17406E-01 7872 0.243E+01 0.316E-01 RMM: 2 -0.330422158033E+03 -0.62970E-02 -0.65311E-02 5210 0.610E-01 0.606E-01 RMM: 3 -0.330419912742E+03 0.22453E-02 -0.62416E-03 5412 0.172E-01 0.287E-01 RMM: 4 -0.330420506948E+03 -0.59421E-03 -0.12531E-03 4717 0.886E-02 0.419E-01 RMM: 5 -0.330419321079E+03 0.11859E-02 -0.59507E-04 4567 0.648E-02 0.102E-01 RMM: 6 -0.330419294520E+03 0.26559E-04 -0.14112E-04 3877 0.304E-02 0.874E-02 RMM: 7 -0.330419287833E+03 0.66872E-05 -0.52631E-05 3328 0.218E-02 3312 T= 6667. E= 0.67855978E+03 F= 0.62340841E+03 E0= 0.65190690E+03 EK= 0.55151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330001190010E+03 0.41810E+00 -0.17806E-01 7740 0.246E+01 0.378E-01 RMM: 2 -0.330009380192E+03 -0.81902E-02 -0.76720E-02 5145 0.693E-01 0.798E-01 RMM: 3 -0.330005656434E+03 0.37238E-02 -0.87641E-03 5425 0.209E-01 0.288E-01 RMM: 4 -0.330006710099E+03 -0.10537E-02 -0.17147E-03 4882 0.101E-01 0.501E-01 RMM: 5 -0.330005053463E+03 0.16566E-02 -0.76320E-04 4596 0.726E-02 0.135E-01 RMM: 6 -0.330005001968E+03 0.51495E-04 -0.20241E-04 3896 0.363E-02 0.112E-01 RMM: 7 -0.330004997537E+03 0.44311E-05 -0.96854E-05 3799 0.280E-02 3313 T= 6876. E= 0.68103672E+03 F= 0.62415614E+03 E0= 0.65265075E+03 EK= 0.56881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329589153574E+03 0.41585E+00 -0.17959E-01 7716 0.247E+01 0.341E-01 RMM: 2 -0.329597609664E+03 -0.84561E-02 -0.78876E-02 5012 0.687E-01 0.729E-01 RMM: 3 -0.329594200848E+03 0.34088E-02 -0.87153E-03 5435 0.203E-01 0.254E-01 RMM: 4 -0.329595066469E+03 -0.86562E-03 -0.15578E-03 4948 0.984E-02 0.451E-01 RMM: 5 -0.329593743707E+03 0.13228E-02 -0.66617E-04 4587 0.685E-02 0.127E-01 RMM: 6 -0.329593683350E+03 0.60357E-04 -0.16678E-04 3881 0.329E-02 0.921E-02 RMM: 7 -0.329593694116E+03 -0.10766E-04 -0.68477E-05 3514 0.247E-02 3314 T= 6939. E= 0.68230565E+03 F= 0.62489874E+03 E0= 0.65338729E+03 EK= 0.57407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329215700274E+03 0.37798E+00 -0.18632E-01 7824 0.246E+01 0.349E-01 RMM: 2 -0.329226646274E+03 -0.10946E-01 -0.94025E-02 4894 0.760E-01 0.838E-01 RMM: 3 -0.329222100365E+03 0.45459E-02 -0.11061E-02 5508 0.227E-01 0.268E-01 RMM: 4 -0.329223037080E+03 -0.93672E-03 -0.18274E-03 5123 0.107E-01 0.472E-01 RMM: 5 -0.329221595186E+03 0.14419E-02 -0.75171E-04 4593 0.732E-02 0.141E-01 RMM: 6 -0.329221506146E+03 0.89040E-04 -0.21007E-04 3892 0.369E-02 0.928E-02 RMM: 7 -0.329221513061E+03 -0.69144E-05 -0.82758E-05 3626 0.270E-02 3315 T= 6832. E= 0.68212376E+03 F= 0.62560392E+03 E0= 0.65408536E+03 EK= 0.56520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328918757113E+03 0.30275E+00 -0.17913E-01 7860 0.242E+01 0.340E-01 RMM: 2 -0.328928518829E+03 -0.97617E-02 -0.85821E-02 4919 0.718E-01 0.785E-01 RMM: 3 -0.328924513441E+03 0.40054E-02 -0.10087E-02 5517 0.216E-01 0.265E-01 RMM: 4 -0.328925339251E+03 -0.82581E-03 -0.18076E-03 5098 0.109E-01 0.451E-01 RMM: 5 -0.328924007710E+03 0.13315E-02 -0.78178E-04 4595 0.745E-02 0.141E-01 RMM: 6 -0.328923946763E+03 0.60947E-04 -0.23069E-04 3893 0.391E-02 0.111E-01 RMM: 7 -0.328923933556E+03 0.13207E-04 -0.93779E-05 3718 0.298E-02 3316 T= 6601. E= 0.68085047E+03 F= 0.62623992E+03 E0= 0.65471553E+03 EK= 0.54611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328721244209E+03 0.20270E+00 -0.17084E-01 7932 0.238E+01 0.351E-01 RMM: 2 -0.328731618967E+03 -0.10375E-01 -0.83715E-02 4902 0.709E-01 0.870E-01 RMM: 3 -0.328726665975E+03 0.49530E-02 -0.98779E-03 5502 0.216E-01 0.263E-01 RMM: 4 -0.328727530244E+03 -0.86427E-03 -0.20008E-03 5185 0.114E-01 0.463E-01 RMM: 5 -0.328726166085E+03 0.13642E-02 -0.94149E-04 4597 0.838E-02 0.144E-01 RMM: 6 -0.328726097854E+03 0.68231E-04 -0.23548E-04 3903 0.396E-02 0.113E-01 RMM: 7 -0.328726086315E+03 0.11539E-04 -0.10786E-04 3828 0.320E-02 3317 T= 6339. E= 0.67922430E+03 F= 0.62678396E+03 E0= 0.65525576E+03 EK= 0.52440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328627470559E+03 0.98627E-01 -0.16773E-01 7884 0.234E+01 0.352E-01 RMM: 2 -0.328638537285E+03 -0.11067E-01 -0.91469E-02 4875 0.731E-01 0.865E-01 RMM: 3 -0.328633600255E+03 0.49370E-02 -0.10853E-02 5521 0.221E-01 0.262E-01 RMM: 4 -0.328634512491E+03 -0.91224E-03 -0.19793E-03 5183 0.114E-01 0.466E-01 RMM: 5 -0.328633107106E+03 0.14054E-02 -0.88434E-04 4605 0.801E-02 0.154E-01 RMM: 6 -0.328633018250E+03 0.88856E-04 -0.26397E-04 3903 0.421E-02 0.111E-01 RMM: 7 -0.328633006926E+03 0.11324E-04 -0.11410E-04 3841 0.334E-02 3318 T= 6136. E= 0.67799340E+03 F= 0.62723113E+03 E0= 0.65570060E+03 EK= 0.50762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328622912636E+03 0.10106E-01 -0.16606E-01 8028 0.232E+01 0.362E-01 RMM: 2 -0.328633120372E+03 -0.10208E-01 -0.79816E-02 4999 0.680E-01 0.904E-01 RMM: 3 -0.328627691902E+03 0.54285E-02 -0.89886E-03 5502 0.207E-01 0.275E-01 RMM: 4 -0.328628602969E+03 -0.91107E-03 -0.20630E-03 5138 0.114E-01 0.476E-01 RMM: 5 -0.328627171377E+03 0.14316E-02 -0.97669E-04 4597 0.858E-02 0.157E-01 RMM: 6 -0.328627054553E+03 0.11682E-03 -0.24127E-04 3896 0.402E-02 0.982E-02 RMM: 7 -0.328627067654E+03 -0.13101E-04 -0.10763E-04 3828 0.316E-02 3319 T= 6053. E= 0.67766794E+03 F= 0.62759698E+03 E0= 0.65606612E+03 EK= 0.50071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328667624274E+03 -0.40570E-01 -0.17056E-01 7944 0.233E+01 0.368E-01 RMM: 2 -0.328679401639E+03 -0.11777E-01 -0.92692E-02 4969 0.725E-01 0.933E-01 RMM: 3 -0.328673498945E+03 0.59027E-02 -0.10749E-02 5541 0.221E-01 0.271E-01 RMM: 4 -0.328674472476E+03 -0.97353E-03 -0.21054E-03 5173 0.115E-01 0.479E-01 RMM: 5 -0.328673004240E+03 0.14682E-02 -0.85735E-04 4614 0.781E-02 0.168E-01 RMM: 6 -0.328672857643E+03 0.14660E-03 -0.25272E-04 3897 0.414E-02 0.914E-02 RMM: 7 -0.328672894777E+03 -0.37134E-04 -0.10533E-04 3834 0.304E-02 0.119E-01 RMM: 8 -0.328672806285E+03 0.88491E-04 -0.36191E-05 3071 0.187E-02 0.370E-02 RMM: 9 -0.328672808755E+03 -0.24699E-05 -0.16930E-05 2518 0.117E-02 3320 T= 6108. E= 0.67844449E+03 F= 0.62791337E+03 E0= 0.65638523E+03 EK= 0.50531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328720937128E+03 -0.48131E-01 -0.17041E-01 7824 0.236E+01 0.325E-01 RMM: 2 -0.328729715138E+03 -0.87780E-02 -0.84934E-02 5070 0.676E-01 0.693E-01 RMM: 3 -0.328726458552E+03 0.32566E-02 -0.87529E-03 5638 0.192E-01 0.252E-01 RMM: 4 -0.328727322602E+03 -0.86405E-03 -0.14896E-03 4867 0.962E-02 0.459E-01 RMM: 5 -0.328725925030E+03 0.13976E-02 -0.69776E-04 4590 0.711E-02 0.106E-01 RMM: 6 -0.328725884699E+03 0.40331E-04 -0.15396E-04 3869 0.317E-02 0.819E-02 RMM: 7 -0.328725887641E+03 -0.29419E-05 -0.58453E-05 3411 0.233E-02 3321 T= 6284. E= 0.68020595E+03 F= 0.62822086E+03 E0= 0.65669758E+03 EK= 0.51985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328743861814E+03 -0.17977E-01 -0.17333E-01 7896 0.240E+01 0.400E-01 RMM: 2 -0.328753399753E+03 -0.95379E-02 -0.91888E-02 5162 0.711E-01 0.802E-01 RMM: 3 -0.328749282325E+03 0.41174E-02 -0.98692E-03 5638 0.208E-01 0.303E-01 RMM: 4 -0.328750413712E+03 -0.11314E-02 -0.20603E-03 5034 0.113E-01 0.533E-01 RMM: 5 -0.328748501127E+03 0.19126E-02 -0.10085E-03 4606 0.848E-02 0.129E-01 RMM: 6 -0.328748493361E+03 0.77656E-05 -0.24725E-04 3890 0.402E-02 0.131E-01 RMM: 7 -0.328748427268E+03 0.66093E-04 -0.11067E-04 3881 0.313E-02 0.905E-02 RMM: 8 -0.328748378278E+03 0.48990E-04 -0.33021E-05 3008 0.172E-02 0.340E-02 RMM: 9 -0.328748394486E+03 -0.16209E-04 -0.18474E-05 2539 0.122E-02 3322 T= 6525. E= 0.68253221E+03 F= 0.62855475E+03 E0= 0.65703889E+03 EK= 0.53977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328722579085E+03 0.25799E-01 -0.17895E-01 8112 0.244E+01 0.325E-01 RMM: 2 -0.328732751108E+03 -0.10172E-01 -0.96247E-02 5153 0.719E-01 0.733E-01 RMM: 3 -0.328729082648E+03 0.36685E-02 -0.98055E-03 5720 0.198E-01 0.232E-01 RMM: 4 -0.328729837658E+03 -0.75501E-03 -0.14679E-03 4818 0.952E-02 0.433E-01 RMM: 5 -0.328728603818E+03 0.12338E-02 -0.63684E-04 4583 0.668E-02 0.118E-01 RMM: 6 -0.328728545081E+03 0.58737E-04 -0.15331E-04 3875 0.318E-02 0.791E-02 RMM: 7 -0.328728573868E+03 -0.28787E-04 -0.62522E-05 3483 0.233E-02 0.104E-01 RMM: 8 -0.328728503236E+03 0.70632E-04 -0.26943E-05 2868 0.164E-02 0.230E-02 RMM: 9 -0.328728507499E+03 -0.42627E-05 -0.10269E-05 2477 0.878E-03 3323 T= 6749. E= 0.68475941E+03 F= 0.62892625E+03 E0= 0.65742200E+03 EK= 0.55833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328683315701E+03 0.45188E-01 -0.18419E-01 7884 0.247E+01 0.356E-01 RMM: 2 -0.328692543399E+03 -0.92277E-02 -0.94266E-02 5269 0.714E-01 0.696E-01 RMM: 3 -0.328689440186E+03 0.31032E-02 -0.90929E-03 5745 0.190E-01 0.270E-01 RMM: 4 -0.328690251954E+03 -0.81177E-03 -0.16229E-03 4802 0.102E-01 0.474E-01 RMM: 5 -0.328688777376E+03 0.14746E-02 -0.79374E-04 4600 0.748E-02 0.124E-01 RMM: 6 -0.328688756046E+03 0.21330E-04 -0.19645E-04 3885 0.360E-02 0.117E-01 RMM: 7 -0.328688746288E+03 0.97584E-05 -0.99528E-05 3860 0.293E-02 3324 T= 6874. E= 0.68618262E+03 F= 0.62931448E+03 E0= 0.65782669E+03 EK= 0.56868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328679327822E+03 0.94282E-02 -0.18717E-01 7836 0.247E+01 0.375E-01 RMM: 2 -0.328688846283E+03 -0.95185E-02 -0.94344E-02 5295 0.716E-01 0.742E-01 RMM: 3 -0.328685231268E+03 0.36150E-02 -0.93760E-03 5596 0.201E-01 0.278E-01 RMM: 4 -0.328686267140E+03 -0.10359E-02 -0.18125E-03 4911 0.107E-01 0.508E-01 RMM: 5 -0.328684559945E+03 0.17072E-02 -0.92581E-04 4602 0.811E-02 0.119E-01 RMM: 6 -0.328684612719E+03 -0.52774E-04 -0.26514E-04 3916 0.424E-02 0.151E-01 RMM: 7 -0.328684542849E+03 0.69869E-04 -0.12216E-04 3860 0.336E-02 0.114E-01 RMM: 8 -0.328684460712E+03 0.82137E-04 -0.44222E-05 3182 0.196E-02 0.348E-02 RMM: 9 -0.328684479033E+03 -0.18321E-04 -0.22858E-05 2568 0.139E-02 3325 T= 6854. E= 0.68636812E+03 F= 0.62966727E+03 E0= 0.65820272E+03 EK= 0.56701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328777543440E+03 -0.93083E-01 -0.18462E-01 7944 0.244E+01 0.316E-01 RMM: 2 -0.328788516475E+03 -0.10973E-01 -0.85308E-02 5170 0.704E-01 0.899E-01 RMM: 3 -0.328783217298E+03 0.52992E-02 -0.87770E-03 5553 0.197E-01 0.226E-01 RMM: 4 -0.328783758802E+03 -0.54150E-03 -0.15018E-03 4789 0.959E-02 0.384E-01 RMM: 5 -0.328782876382E+03 0.88242E-03 -0.65859E-04 4597 0.700E-02 0.157E-01 RMM: 6 -0.328782738741E+03 0.13764E-03 -0.20479E-04 3904 0.379E-02 0.768E-02 RMM: 7 -0.328782777403E+03 -0.38662E-04 -0.81672E-05 3652 0.271E-02 0.109E-01 RMM: 8 -0.328782698676E+03 0.78728E-04 -0.31630E-05 2995 0.179E-02 0.249E-02 RMM: 9 -0.328782700516E+03 -0.18407E-05 -0.93544E-06 2474 0.870E-03 3326 T= 6703. E= 0.68537581E+03 F= 0.62992132E+03 E0= 0.65848673E+03 EK= 0.55454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329022133248E+03 -0.23943E+00 -0.17874E-01 7860 0.240E+01 0.353E-01 RMM: 2 -0.329028309962E+03 -0.61767E-02 -0.67694E-02 5271 0.620E-01 0.625E-01 RMM: 3 -0.329025970426E+03 0.23395E-02 -0.61404E-03 5436 0.169E-01 0.301E-01 RMM: 4 -0.329026919741E+03 -0.94931E-03 -0.18759E-03 4892 0.112E-01 0.497E-01 RMM: 5 -0.329025304125E+03 0.16156E-02 -0.94653E-04 4608 0.832E-02 0.125E-01 RMM: 6 -0.329025276615E+03 0.27509E-04 -0.19374E-04 3885 0.358E-02 0.118E-01 RMM: 7 -0.329025243387E+03 0.33228E-04 -0.12103E-04 3852 0.336E-02 0.991E-02 RMM: 8 -0.329025182442E+03 0.60945E-04 -0.42859E-05 3180 0.200E-02 0.340E-02 RMM: 9 -0.329025191734E+03 -0.92924E-05 -0.18146E-05 2529 0.126E-02 3327 T= 6487. E= 0.68370315E+03 F= 0.63003788E+03 E0= 0.65863981E+03 EK= 0.53665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329407013297E+03 -0.38183E+00 -0.18110E-01 7992 0.236E+01 0.345E-01 RMM: 2 -0.329415184669E+03 -0.81714E-02 -0.75360E-02 5107 0.666E-01 0.764E-01 RMM: 3 -0.329411508561E+03 0.36761E-02 -0.80243E-03 5550 0.187E-01 0.253E-01 RMM: 4 -0.329412428481E+03 -0.91992E-03 -0.18558E-03 4974 0.110E-01 0.465E-01 RMM: 5 -0.329411042230E+03 0.13863E-02 -0.83503E-04 4607 0.783E-02 0.137E-01 RMM: 6 -0.329410962325E+03 0.79905E-04 -0.17397E-04 3884 0.340E-02 0.928E-02 RMM: 7 -0.329410980367E+03 -0.18043E-04 -0.97110E-05 3832 0.294E-02 3328 T= 6284. E= 0.68200774E+03 F= 0.63001927E+03 E0= 0.65866299E+03 EK= 0.51988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329895039636E+03 -0.48408E+00 -0.17514E-01 8124 0.233E+01 0.403E-01 RMM: 2 -0.329901182168E+03 -0.61425E-02 -0.70772E-02 5222 0.629E-01 0.658E-01 RMM: 3 -0.329898766202E+03 0.24160E-02 -0.73612E-03 5419 0.187E-01 0.362E-01 RMM: 4 -0.329900010363E+03 -0.12442E-02 -0.20810E-03 4999 0.115E-01 0.578E-01 RMM: 5 -0.329897757064E+03 0.22533E-02 -0.11558E-03 4609 0.917E-02 0.993E-02 RMM: 6 -0.329897836869E+03 -0.79806E-04 -0.23496E-04 3892 0.388E-02 0.154E-01 RMM: 7 -0.329897729104E+03 0.10777E-03 -0.11288E-04 3836 0.325E-02 0.908E-02 RMM: 8 -0.329897682952E+03 0.46152E-04 -0.37878E-05 3094 0.182E-02 0.381E-02 RMM: 9 -0.329897703091E+03 -0.20139E-04 -0.21809E-05 2568 0.135E-02 0.597E-02 RMM: 10 -0.329897687843E+03 0.15248E-04 -0.15704E-05 2505 0.127E-02 3329 T= 6157. E= 0.68084138E+03 F= 0.62990719E+03 E0= 0.65859834E+03 EK= 0.50934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330414990578E+03 -0.51729E+00 -0.17159E-01 8148 0.232E+01 0.334E-01 RMM: 2 -0.330422218791E+03 -0.72282E-02 -0.76774E-02 5159 0.649E-01 0.649E-01 RMM: 3 -0.330419633822E+03 0.25850E-02 -0.81713E-03 5575 0.189E-01 0.278E-01 RMM: 4 -0.330420375621E+03 -0.74180E-03 -0.14680E-03 4811 0.950E-02 0.449E-01 RMM: 5 -0.330419078533E+03 0.12971E-02 -0.62567E-04 4595 0.667E-02 0.133E-01 RMM: 6 -0.330418977784E+03 0.10075E-03 -0.15823E-04 3878 0.323E-02 0.673E-02 RMM: 7 -0.330418987739E+03 -0.99552E-05 -0.61051E-05 3419 0.232E-02 3330 T= 6135. E= 0.68051707E+03 F= 0.62976559E+03 E0= 0.65850814E+03 EK= 0.50751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330899127675E+03 -0.48015E+00 -0.17216E-01 7968 0.233E+01 0.431E-01 RMM: 2 -0.330906294749E+03 -0.71671E-02 -0.70924E-02 5337 0.622E-01 0.813E-01 RMM: 3 -0.330902320772E+03 0.39740E-02 -0.74014E-03 5416 0.190E-01 0.361E-01 RMM: 4 -0.330903655974E+03 -0.13352E-02 -0.23779E-03 5121 0.121E-01 0.595E-01 RMM: 5 -0.330901332073E+03 0.23239E-02 -0.12039E-03 4604 0.936E-02 0.135E-01 RMM: 6 -0.330901295633E+03 0.36440E-04 -0.20871E-04 3883 0.361E-02 0.124E-01 RMM: 7 -0.330901274517E+03 0.21115E-04 -0.11218E-04 3885 0.295E-02 0.115E-01 RMM: 8 -0.330901192633E+03 0.81885E-04 -0.53499E-05 3328 0.214E-02 0.349E-02 RMM: 9 -0.330901210876E+03 -0.18243E-04 -0.20740E-05 2570 0.130E-02 3331 T= 6216. E= 0.68108662E+03 F= 0.62966491E+03 E0= 0.65846247E+03 EK= 0.51422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331276324499E+03 -0.37513E+00 -0.18329E-01 7992 0.235E+01 0.358E-01 RMM: 2 -0.331286862787E+03 -0.10538E-01 -0.91414E-02 5082 0.684E-01 0.847E-01 RMM: 3 -0.331281932273E+03 0.49305E-02 -0.94686E-03 5467 0.206E-01 0.279E-01 RMM: 4 -0.331282781293E+03 -0.84902E-03 -0.19520E-03 4998 0.109E-01 0.464E-01 RMM: 5 -0.331281400174E+03 0.13811E-02 -0.78369E-04 4606 0.743E-02 0.151E-01 RMM: 6 -0.331281276625E+03 0.12355E-03 -0.18324E-04 3888 0.346E-02 0.785E-02 RMM: 7 -0.331281332750E+03 -0.56126E-04 -0.87760E-05 3689 0.261E-02 0.122E-01 RMM: 8 -0.331281235997E+03 0.96753E-04 -0.45578E-05 3216 0.204E-02 0.270E-02 RMM: 9 -0.331281241033E+03 -0.50354E-05 -0.12846E-05 2504 0.991E-03 3332 T= 6369. E= 0.68235469E+03 F= 0.62966529E+03 E0= 0.65852016E+03 EK= 0.52689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331513458347E+03 -0.23222E+00 -0.18188E-01 8172 0.238E+01 0.384E-01 RMM: 2 -0.331523048918E+03 -0.95906E-02 -0.79123E-02 5266 0.639E-01 0.901E-01 RMM: 3 -0.331517667517E+03 0.53814E-02 -0.75743E-03 5463 0.188E-01 0.301E-01 RMM: 4 -0.331518681535E+03 -0.10140E-02 -0.21791E-03 5036 0.117E-01 0.505E-01 RMM: 5 -0.331517027880E+03 0.16537E-02 -0.94177E-04 4605 0.823E-02 0.158E-01 RMM: 6 -0.331516911846E+03 0.11603E-03 -0.21606E-04 3898 0.375E-02 0.102E-01 RMM: 7 -0.331516944020E+03 -0.32173E-04 -0.12230E-04 3878 0.308E-02 0.126E-01 RMM: 8 -0.331516839466E+03 0.10455E-03 -0.59405E-05 3397 0.226E-02 0.338E-02 RMM: 9 -0.331516843850E+03 -0.43844E-05 -0.16628E-05 2533 0.116E-02 3333 T= 6542. E= 0.68392316E+03 F= 0.62980718E+03 E0= 0.65872169E+03 EK= 0.54116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331588491852E+03 -0.71652E-01 -0.19059E-01 8136 0.240E+01 0.377E-01 RMM: 2 -0.331601634994E+03 -0.13143E-01 -0.92555E-02 5123 0.701E-01 0.104E+00 RMM: 3 -0.331594029796E+03 0.76052E-02 -0.98632E-03 5499 0.212E-01 0.262E-01 RMM: 4 -0.331594970416E+03 -0.94062E-03 -0.21733E-03 5077 0.115E-01 0.476E-01 RMM: 5 -0.331593543840E+03 0.14266E-02 -0.85523E-04 4605 0.776E-02 0.173E-01 RMM: 6 -0.331593403138E+03 0.14070E-03 -0.22832E-04 3891 0.388E-02 0.102E-01 RMM: 7 -0.331593456058E+03 -0.52920E-04 -0.12190E-04 3865 0.308E-02 0.136E-01 RMM: 8 -0.331593334990E+03 0.12107E-03 -0.61139E-05 3414 0.231E-02 0.318E-02 RMM: 9 -0.331593340558E+03 -0.55679E-05 -0.14256E-05 2524 0.106E-02 3334 T= 6672. E= 0.68529906E+03 F= 0.63010516E+03 E0= 0.65908094E+03 EK= 0.55194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331527720907E+03 0.65614E-01 -0.18687E-01 7932 0.241E+01 0.358E-01 RMM: 2 -0.331538671900E+03 -0.10951E-01 -0.91151E-02 5161 0.688E-01 0.881E-01 RMM: 3 -0.331533462244E+03 0.52097E-02 -0.90608E-03 5539 0.200E-01 0.284E-01 RMM: 4 -0.331534181314E+03 -0.71907E-03 -0.19887E-03 4994 0.111E-01 0.454E-01 RMM: 5 -0.331532941472E+03 0.12398E-02 -0.86172E-04 4608 0.788E-02 0.187E-01 RMM: 6 -0.331532757635E+03 0.18384E-03 -0.25617E-04 3904 0.414E-02 0.985E-02 RMM: 7 -0.331532818330E+03 -0.60694E-04 -0.11830E-04 3878 0.310E-02 0.138E-01 RMM: 8 -0.331532694642E+03 0.12369E-03 -0.53968E-05 3341 0.221E-02 0.329E-02 RMM: 9 -0.331532700386E+03 -0.57433E-05 -0.15616E-05 2527 0.112E-02 3335 T= 6713. E= 0.68607514E+03 F= 0.63053867E+03 E0= 0.65957709E+03 EK= 0.55536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331380638233E+03 0.15206E+00 -0.18806E-01 8004 0.240E+01 0.362E-01 RMM: 2 -0.331395337625E+03 -0.14699E-01 -0.10379E-01 4975 0.744E-01 0.104E+00 RMM: 3 -0.331387548072E+03 0.77896E-02 -0.11311E-02 5551 0.221E-01 0.229E-01 RMM: 4 -0.331388507701E+03 -0.95963E-03 -0.21322E-03 5188 0.116E-01 0.474E-01 RMM: 5 -0.331387109320E+03 0.13984E-02 -0.86430E-04 4604 0.785E-02 0.159E-01 RMM: 6 -0.331387036634E+03 0.72686E-04 -0.24691E-04 3894 0.401E-02 0.126E-01 RMM: 7 -0.331387012165E+03 0.24469E-04 -0.11643E-04 3852 0.323E-02 0.112E-01 RMM: 8 -0.331386935041E+03 0.77124E-04 -0.43386E-05 3209 0.199E-02 0.347E-02 RMM: 9 -0.331386940621E+03 -0.55792E-05 -0.14097E-05 2510 0.106E-02 3336 T= 6655. E= 0.68611003E+03 F= 0.63105795E+03 E0= 0.66015917E+03 EK= 0.55052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331216006006E+03 0.17093E+00 -0.17983E-01 7764 0.238E+01 0.353E-01 RMM: 2 -0.331228585321E+03 -0.12579E-01 -0.10294E-01 4931 0.745E-01 0.912E-01 RMM: 3 -0.331222957723E+03 0.56276E-02 -0.11292E-02 5569 0.222E-01 0.272E-01 RMM: 4 -0.331223676667E+03 -0.71894E-03 -0.20550E-03 5148 0.113E-01 0.451E-01 RMM: 5 -0.331222475455E+03 0.12012E-02 -0.90791E-04 4601 0.812E-02 0.189E-01 RMM: 6 -0.331222292622E+03 0.18283E-03 -0.25244E-04 3895 0.410E-02 0.101E-01 RMM: 7 -0.331222340055E+03 -0.47433E-04 -0.12256E-04 3871 0.322E-02 0.131E-01 RMM: 8 -0.331222227613E+03 0.11244E-03 -0.52686E-05 3326 0.221E-02 0.338E-02 RMM: 9 -0.331222233580E+03 -0.59674E-05 -0.15585E-05 2521 0.114E-02 3337 T= 6526. E= 0.68558358E+03 F= 0.63159899E+03 E0= 0.66076281E+03 EK= 0.53985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331097489960E+03 0.12474E+00 -0.17644E-01 7956 0.236E+01 0.366E-01 RMM: 2 -0.331111644796E+03 -0.14155E-01 -0.99537E-02 4881 0.734E-01 0.105E+00 RMM: 3 -0.331103996244E+03 0.76486E-02 -0.11267E-02 5537 0.224E-01 0.247E-01 RMM: 4 -0.331104814713E+03 -0.81847E-03 -0.23438E-03 5260 0.122E-01 0.458E-01 RMM: 5 -0.331103575796E+03 0.12389E-02 -0.98930E-04 4611 0.850E-02 0.183E-01 RMM: 6 -0.331103411925E+03 0.16387E-03 -0.23849E-04 3905 0.402E-02 0.106E-01 RMM: 7 -0.331103432943E+03 -0.21018E-04 -0.12763E-04 3872 0.330E-02 0.121E-01 RMM: 8 -0.331103343296E+03 0.89647E-04 -0.52092E-05 3300 0.221E-02 0.408E-02 RMM: 9 -0.331103342206E+03 0.10904E-05 -0.13730E-05 2511 0.107E-02 3338 T= 6381. E= 0.68488492E+03 F= 0.63209830E+03 E0= 0.66132303E+03 EK= 0.52787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331071049226E+03 0.32294E-01 -0.17299E-01 7692 0.234E+01 0.369E-01 RMM: 2 -0.331083208743E+03 -0.12160E-01 -0.98736E-02 5036 0.714E-01 0.928E-01 RMM: 3 -0.331077415881E+03 0.57929E-02 -0.11177E-02 5569 0.218E-01 0.281E-01 RMM: 4 -0.331078396728E+03 -0.98085E-03 -0.21788E-03 5103 0.117E-01 0.494E-01 RMM: 5 -0.331076881441E+03 0.15153E-02 -0.92115E-04 4601 0.815E-02 0.176E-01 RMM: 6 -0.331076725807E+03 0.15563E-03 -0.22767E-04 3892 0.387E-02 0.977E-02 RMM: 7 -0.331076766022E+03 -0.40215E-04 -0.11713E-04 3876 0.308E-02 0.125E-01 RMM: 8 -0.331076666367E+03 0.99655E-04 -0.55864E-05 3350 0.227E-02 0.365E-02 RMM: 9 -0.331076669720E+03 -0.33528E-05 -0.15964E-05 2528 0.118E-02 3339 T= 6275. E= 0.68442455E+03 F= 0.63250938E+03 E0= 0.66179229E+03 EK= 0.51915E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331157993903E+03 -0.81328E-01 -0.17060E-01 7908 0.233E+01 0.380E-01 RMM: 2 -0.331171366383E+03 -0.13372E-01 -0.98172E-02 5000 0.708E-01 0.102E+00 RMM: 3 -0.331164239158E+03 0.71272E-02 -0.11058E-02 5550 0.218E-01 0.292E-01 RMM: 4 -0.331164979917E+03 -0.74076E-03 -0.25026E-03 5226 0.124E-01 0.468E-01 RMM: 5 -0.331163636380E+03 0.13435E-02 -0.10442E-03 4604 0.877E-02 0.174E-01 RMM: 6 -0.331163483133E+03 0.15325E-03 -0.20390E-04 3900 0.369E-02 0.972E-02 RMM: 7 -0.331163516281E+03 -0.33147E-04 -0.10778E-04 3847 0.293E-02 0.121E-01 RMM: 8 -0.331163426310E+03 0.89971E-04 -0.50173E-05 3302 0.215E-02 0.381E-02 RMM: 9 -0.331163427768E+03 -0.14581E-05 -0.14745E-05 2512 0.110E-02 3340 T= 6246. E= 0.68448316E+03 F= 0.63280959E+03 E0= 0.66214554E+03 EK= 0.51674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331353754488E+03 -0.19033E+00 -0.18198E-01 8124 0.234E+01 0.391E-01 RMM: 2 -0.331369107470E+03 -0.15353E-01 -0.11333E-01 5046 0.754E-01 0.107E+00 RMM: 3 -0.331361078238E+03 0.80292E-02 -0.12743E-02 5563 0.230E-01 0.289E-01 RMM: 4 -0.331362144643E+03 -0.10664E-02 -0.25496E-03 5188 0.124E-01 0.520E-01 RMM: 5 -0.331360509943E+03 0.16347E-02 -0.98532E-04 4604 0.838E-02 0.189E-01 RMM: 6 -0.331360304145E+03 0.20580E-03 -0.22747E-04 3889 0.388E-02 0.848E-02 RMM: 7 -0.331360376762E+03 -0.72617E-04 -0.11530E-04 3858 0.289E-02 0.137E-01 RMM: 8 -0.331360261288E+03 0.11547E-03 -0.60619E-05 3412 0.234E-02 0.396E-02 RMM: 9 -0.331360262531E+03 -0.12425E-05 -0.16096E-05 2530 0.117E-02 3341 T= 6303. E= 0.68513887E+03 F= 0.63300017E+03 E0= 0.66238193E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331640410205E+03 -0.28015E+00 -0.17788E-01 8424 0.236E+01 0.394E-01 RMM: 2 -0.331653203725E+03 -0.12794E-01 -0.95547E-02 5162 0.680E-01 0.102E+00 RMM: 3 -0.331646059551E+03 0.71442E-02 -0.99859E-03 5488 0.213E-01 0.305E-01 RMM: 4 -0.331646996482E+03 -0.93693E-03 -0.25271E-03 5188 0.123E-01 0.501E-01 RMM: 5 -0.331645482752E+03 0.15137E-02 -0.10101E-03 4600 0.855E-02 0.193E-01 RMM: 6 -0.331645265912E+03 0.21684E-03 -0.22180E-04 3904 0.385E-02 0.865E-02 RMM: 7 -0.331645323821E+03 -0.57909E-04 -0.10127E-04 3830 0.276E-02 0.129E-01 RMM: 8 -0.331645220621E+03 0.10320E-03 -0.50084E-05 3278 0.213E-02 0.375E-02 RMM: 9 -0.331645224756E+03 -0.41346E-05 -0.17942E-05 2534 0.121E-02 3342 T= 6425. E= 0.68625135E+03 F= 0.63310107E+03 E0= 0.66251811E+03 EK= 0.53150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331977707339E+03 -0.33249E+00 -0.18269E-01 8352 0.239E+01 0.409E-01 RMM: 2 -0.331992889261E+03 -0.15182E-01 -0.92977E-02 5235 0.680E-01 0.122E+00 RMM: 3 -0.331982697849E+03 0.10191E-01 -0.10480E-02 5491 0.227E-01 0.283E-01 RMM: 4 -0.331983844141E+03 -0.11463E-02 -0.25600E-03 5197 0.123E-01 0.517E-01 RMM: 5 -0.331982204679E+03 0.16395E-02 -0.93634E-04 4603 0.821E-02 0.188E-01 RMM: 6 -0.331981996552E+03 0.20813E-03 -0.20480E-04 3880 0.366E-02 0.804E-02 RMM: 7 -0.331982069323E+03 -0.72771E-04 -0.10464E-04 3800 0.271E-02 0.136E-01 RMM: 8 -0.331981953854E+03 0.11547E-03 -0.56031E-05 3351 0.225E-02 0.328E-02 RMM: 9 -0.331981962212E+03 -0.83581E-05 -0.18016E-05 2543 0.121E-02 3343 T= 6569. E= 0.68749387E+03 F= 0.63314759E+03 E0= 0.66258762E+03 EK= 0.54346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332325354843E+03 -0.34340E+00 -0.18874E-01 8352 0.242E+01 0.397E-01 RMM: 2 -0.332339140480E+03 -0.13786E-01 -0.97136E-02 5215 0.695E-01 0.109E+00 RMM: 3 -0.332331004212E+03 0.81363E-02 -0.98273E-03 5503 0.214E-01 0.295E-01 RMM: 4 -0.332331951294E+03 -0.94708E-03 -0.25743E-03 5189 0.124E-01 0.500E-01 RMM: 5 -0.332330432335E+03 0.15190E-02 -0.10183E-03 4603 0.860E-02 0.186E-01 RMM: 6 -0.332330239140E+03 0.19320E-03 -0.22625E-04 3892 0.388E-02 0.913E-02 RMM: 7 -0.332330298389E+03 -0.59249E-04 -0.10312E-04 3844 0.278E-02 0.132E-01 RMM: 8 -0.332330185807E+03 0.11258E-03 -0.51349E-05 3300 0.213E-02 0.341E-02 RMM: 9 -0.332330191847E+03 -0.60397E-05 -0.16612E-05 2530 0.115E-02 3344 T= 6681. E= 0.68844717E+03 F= 0.63318032E+03 E0= 0.66262862E+03 EK= 0.55267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332649634982E+03 -0.31945E+00 -0.19311E-01 8292 0.244E+01 0.400E-01 RMM: 2 -0.332664327346E+03 -0.14692E-01 -0.97323E-02 5209 0.703E-01 0.115E+00 RMM: 3 -0.332655166194E+03 0.91612E-02 -0.10284E-02 5537 0.221E-01 0.272E-01 RMM: 4 -0.332656361949E+03 -0.11958E-02 -0.23909E-03 5152 0.119E-01 0.525E-01 RMM: 5 -0.332654686359E+03 0.16756E-02 -0.93727E-04 4603 0.824E-02 0.191E-01 RMM: 6 -0.332654482576E+03 0.20378E-03 -0.23823E-04 3892 0.399E-02 0.903E-02 RMM: 7 -0.332654556934E+03 -0.74358E-04 -0.11599E-04 3864 0.290E-02 0.142E-01 RMM: 8 -0.332654429674E+03 0.12726E-03 -0.60662E-05 3413 0.231E-02 0.346E-02 RMM: 9 -0.332654435043E+03 -0.53684E-05 -0.17955E-05 2544 0.122E-02 3345 T= 6712. E= 0.68876555E+03 F= 0.63323638E+03 E0= 0.66267870E+03 EK= 0.55529E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332926049482E+03 -0.27162E+00 -0.19450E-01 8268 0.243E+01 0.393E-01 RMM: 2 -0.332940555758E+03 -0.14506E-01 -0.99081E-02 5134 0.718E-01 0.112E+00 RMM: 3 -0.332932004878E+03 0.85509E-02 -0.10394E-02 5524 0.220E-01 0.273E-01 RMM: 4 -0.332933030900E+03 -0.10260E-02 -0.24795E-03 5228 0.122E-01 0.506E-01 RMM: 5 -0.332931493166E+03 0.15377E-02 -0.10384E-03 4599 0.875E-02 0.186E-01 RMM: 6 -0.332931317362E+03 0.17580E-03 -0.24942E-04 3897 0.406E-02 0.103E-01 RMM: 7 -0.332931369403E+03 -0.52040E-04 -0.11750E-04 3878 0.301E-02 0.137E-01 RMM: 8 -0.332931250362E+03 0.11904E-03 -0.59069E-05 3398 0.227E-02 0.365E-02 RMM: 9 -0.332931254059E+03 -0.36963E-05 -0.16416E-05 2531 0.115E-02 3346 T= 6649. E= 0.68834650E+03 F= 0.63334152E+03 E0= 0.66276420E+03 EK= 0.55005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333144981226E+03 -0.21373E+00 -0.19859E-01 7800 0.242E+01 0.403E-01 RMM: 2 -0.333163887981E+03 -0.18907E-01 -0.12275E-01 4996 0.805E-01 0.126E+00 RMM: 3 -0.333152918337E+03 0.10970E-01 -0.13770E-02 5556 0.249E-01 0.258E-01 RMM: 4 -0.333153961771E+03 -0.10434E-02 -0.25658E-03 5267 0.123E-01 0.506E-01 RMM: 5 -0.333152450458E+03 0.15113E-02 -0.10261E-03 4605 0.868E-02 0.203E-01 RMM: 6 -0.333152231021E+03 0.21944E-03 -0.27455E-04 3900 0.427E-02 0.101E-01 RMM: 7 -0.333152300989E+03 -0.69968E-04 -0.13353E-04 3875 0.319E-02 0.146E-01 RMM: 8 -0.333152165822E+03 0.13517E-03 -0.64748E-05 3458 0.239E-02 0.357E-02 RMM: 9 -0.333152169824E+03 -0.40018E-05 -0.17358E-05 2539 0.120E-02 3347 T= 6514. E= 0.68739129E+03 F= 0.63350645E+03 E0= 0.66289907E+03 EK= 0.53885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333311056366E+03 -0.15889E+00 -0.18956E-01 7716 0.239E+01 0.391E-01 RMM: 2 -0.333325200369E+03 -0.14144E-01 -0.99481E-02 5099 0.724E-01 0.108E+00 RMM: 3 -0.333317122462E+03 0.80779E-02 -0.10548E-02 5503 0.220E-01 0.273E-01 RMM: 4 -0.333318097391E+03 -0.97493E-03 -0.24402E-03 5224 0.122E-01 0.500E-01 RMM: 5 -0.333316581217E+03 0.15162E-02 -0.10868E-03 4603 0.899E-02 0.184E-01 RMM: 6 -0.333316433049E+03 0.14817E-03 -0.26984E-04 3910 0.424E-02 0.116E-01 RMM: 7 -0.333316463648E+03 -0.30599E-04 -0.12512E-04 3867 0.319E-02 0.136E-01 RMM: 8 -0.333316346609E+03 0.11704E-03 -0.59483E-05 3402 0.228E-02 0.380E-02 RMM: 9 -0.333316349265E+03 -0.26553E-05 -0.16429E-05 2534 0.116E-02 3348 T= 6356. E= 0.68631152E+03 F= 0.63373323E+03 E0= 0.66308749E+03 EK= 0.52578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333420972205E+03 -0.10463E+00 -0.18380E-01 7824 0.236E+01 0.406E-01 RMM: 2 -0.333438525363E+03 -0.17553E-01 -0.10344E-01 5007 0.750E-01 0.129E+00 RMM: 3 -0.333427202576E+03 0.11323E-01 -0.12092E-02 5470 0.242E-01 0.269E-01 RMM: 4 -0.333428349550E+03 -0.11470E-02 -0.26070E-03 5296 0.124E-01 0.518E-01 RMM: 5 -0.333426760618E+03 0.15889E-02 -0.10358E-03 4608 0.873E-02 0.207E-01 RMM: 6 -0.333426534372E+03 0.22625E-03 -0.28289E-04 3900 0.434E-02 0.104E-01 RMM: 7 -0.333426589711E+03 -0.55339E-04 -0.13161E-04 3874 0.321E-02 0.140E-01 RMM: 8 -0.333426464549E+03 0.12516E-03 -0.62994E-05 3443 0.236E-02 0.339E-02 RMM: 9 -0.333426470993E+03 -0.64434E-05 -0.17294E-05 2540 0.121E-02 3349 T= 6229. E= 0.68555161E+03 F= 0.63401891E+03 E0= 0.66333034E+03 EK= 0.51533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333477507591E+03 -0.51043E-01 -0.17380E-01 7800 0.235E+01 0.389E-01 RMM: 2 -0.333488385221E+03 -0.10878E-01 -0.79089E-02 5168 0.654E-01 0.993E-01 RMM: 3 -0.333481858889E+03 0.65263E-02 -0.85531E-03 5424 0.204E-01 0.297E-01 RMM: 4 -0.333482865080E+03 -0.10062E-02 -0.24130E-03 5206 0.122E-01 0.507E-01 RMM: 5 -0.333481230018E+03 0.16351E-02 -0.10997E-03 4604 0.904E-02 0.160E-01 RMM: 6 -0.333481139486E+03 0.90532E-04 -0.22731E-04 3889 0.387E-02 0.117E-01 RMM: 7 -0.333481142928E+03 -0.34424E-05 -0.10613E-04 3792 0.295E-02 3350 T= 6174. E= 0.68544152E+03 F= 0.63436308E+03 E0= 0.66362954E+03 EK= 0.51078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333468101051E+03 0.13038E-01 -0.16823E-01 7620 0.235E+01 0.417E-01 RMM: 2 -0.333478653406E+03 -0.10552E-01 -0.81747E-02 5048 0.677E-01 0.981E-01 RMM: 3 -0.333472631053E+03 0.60224E-02 -0.94586E-03 5486 0.209E-01 0.313E-01 RMM: 4 -0.333473782580E+03 -0.11515E-02 -0.25732E-03 5292 0.127E-01 0.539E-01 RMM: 5 -0.333471978032E+03 0.18045E-02 -0.11512E-03 4611 0.925E-02 0.191E-01 RMM: 6 -0.333471815821E+03 0.16221E-03 -0.27555E-04 3924 0.427E-02 0.121E-01 RMM: 7 -0.333471826346E+03 -0.10525E-04 -0.14241E-04 3880 0.336E-02 3351 T= 6207. E= 0.68612026E+03 F= 0.63477150E+03 E0= 0.66399359E+03 EK= 0.51349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333376582111E+03 0.95234E-01 -0.16947E-01 7812 0.236E+01 0.413E-01 RMM: 2 -0.333388956625E+03 -0.12375E-01 -0.87093E-02 5081 0.710E-01 0.109E+00 RMM: 3 -0.333381323458E+03 0.76332E-02 -0.10499E-02 5417 0.230E-01 0.296E-01 RMM: 4 -0.333382505621E+03 -0.11822E-02 -0.23313E-03 5163 0.117E-01 0.530E-01 RMM: 5 -0.333380823796E+03 0.16818E-02 -0.97056E-04 4605 0.840E-02 0.208E-01 RMM: 6 -0.333380562428E+03 0.26137E-03 -0.31112E-04 3952 0.459E-02 0.826E-02 RMM: 7 -0.333380650504E+03 -0.88076E-04 -0.10369E-04 3782 0.283E-02 0.142E-01 RMM: 8 -0.333380524868E+03 0.12564E-03 -0.45593E-05 3229 0.206E-02 0.402E-02 RMM: 9 -0.333380524981E+03 -0.11363E-06 -0.19108E-05 2557 0.125E-02 3352 T= 6317. E= 0.68751436E+03 F= 0.63525924E+03 E0= 0.66443980E+03 EK= 0.52255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333183179590E+03 0.19735E+00 -0.16324E-01 7824 0.238E+01 0.377E-01 RMM: 2 -0.333193931839E+03 -0.10752E-01 -0.82300E-02 5094 0.676E-01 0.948E-01 RMM: 3 -0.333187955903E+03 0.59759E-02 -0.90993E-03 5438 0.209E-01 0.290E-01 RMM: 4 -0.333189180217E+03 -0.12243E-02 -0.20313E-03 4995 0.109E-01 0.540E-01 RMM: 5 -0.333187297499E+03 0.18827E-02 -0.93342E-04 4608 0.824E-02 0.110E-01 RMM: 6 -0.333187282438E+03 0.15061E-04 -0.16292E-04 3876 0.319E-02 3353 T= 6468. E= 0.68934896E+03 F= 0.63584420E+03 E0= 0.66498729E+03 EK= 0.53505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332876468172E+03 0.31083E+00 -0.15966E-01 7860 0.240E+01 0.465E-01 RMM: 2 -0.332893406663E+03 -0.16938E-01 -0.79656E-02 5210 0.682E-01 0.142E+00 RMM: 3 -0.332880385728E+03 0.13021E-01 -0.11489E-02 5377 0.254E-01 0.373E-01 RMM: 4 -0.332881063238E+03 -0.67751E-03 -0.29792E-03 5323 0.130E-01 0.505E-01 RMM: 5 -0.332879565381E+03 0.14979E-02 -0.10955E-03 4608 0.892E-02 0.239E-01 RMM: 6 -0.332879254326E+03 0.31105E-03 -0.31247E-04 3927 0.468E-02 0.107E-01 RMM: 7 -0.332879370572E+03 -0.11625E-03 -0.15863E-04 3872 0.340E-02 0.170E-01 RMM: 8 -0.332879186814E+03 0.18376E-03 -0.82266E-05 3612 0.267E-02 0.488E-02 RMM: 9 -0.332879184787E+03 0.20270E-05 -0.26425E-05 2808 0.148E-02 3354 T= 6609. E= 0.69121030E+03 F= 0.63653859E+03 E0= 0.66564940E+03 EK= 0.54672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332459673381E+03 0.41951E+00 -0.16241E-01 7740 0.242E+01 0.467E-01 RMM: 2 -0.332489038329E+03 -0.29365E-01 -0.91791E-02 5090 0.748E-01 0.194E+00 RMM: 3 -0.332464211098E+03 0.24827E-01 -0.15650E-02 5357 0.307E-01 0.359E-01 RMM: 4 -0.332464386633E+03 -0.17553E-03 -0.31581E-03 5324 0.132E-01 0.412E-01 RMM: 5 -0.332463580915E+03 0.80572E-03 -0.82569E-04 4604 0.765E-02 0.257E-01 RMM: 6 -0.332463168427E+03 0.41249E-03 -0.24775E-04 3883 0.420E-02 0.714E-02 RMM: 7 -0.332463249721E+03 -0.81293E-04 -0.12204E-04 3861 0.294E-02 0.130E-01 RMM: 8 -0.332463145892E+03 0.10383E-03 -0.50430E-05 3308 0.216E-02 0.429E-02 RMM: 9 -0.332463137741E+03 0.81508E-05 -0.13822E-05 2511 0.109E-02 3355 T= 6689. E= 0.69267307E+03 F= 0.63733638E+03 E0= 0.66642241E+03 EK= 0.55337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331967274050E+03 0.49587E+00 -0.16183E-01 7800 0.242E+01 0.411E-01 RMM: 2 -0.331984281632E+03 -0.17008E-01 -0.86422E-02 5064 0.705E-01 0.133E+00 RMM: 3 -0.331972248726E+03 0.12033E-01 -0.11205E-02 5398 0.246E-01 0.318E-01 RMM: 4 -0.331972911765E+03 -0.66304E-03 -0.27503E-03 5312 0.128E-01 0.460E-01 RMM: 5 -0.331971749806E+03 0.11620E-02 -0.91139E-04 4596 0.803E-02 0.238E-01 RMM: 6 -0.331971415034E+03 0.33477E-03 -0.25515E-04 3890 0.422E-02 0.880E-02 RMM: 7 -0.331971489351E+03 -0.74317E-04 -0.14772E-04 3884 0.330E-02 0.139E-01 RMM: 8 -0.331971365891E+03 0.12346E-03 -0.71235E-05 3498 0.250E-02 0.405E-02 RMM: 9 -0.331971364985E+03 0.90612E-06 -0.16381E-05 2539 0.116E-02 3356 T= 6681. E= 0.69347374E+03 F= 0.63820729E+03 E0= 0.66727762E+03 EK= 0.55266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331454654247E+03 0.51671E+00 -0.15990E-01 7920 0.241E+01 0.386E-01 RMM: 2 -0.331470162197E+03 -0.15508E-01 -0.85215E-02 5044 0.701E-01 0.125E+00 RMM: 3 -0.331459565921E+03 0.10596E-01 -0.10693E-02 5428 0.237E-01 0.268E-01 RMM: 4 -0.331460491319E+03 -0.92540E-03 -0.22644E-03 5218 0.116E-01 0.472E-01 RMM: 5 -0.331459092886E+03 0.13984E-02 -0.89923E-04 4604 0.819E-02 0.166E-01 RMM: 6 -0.331458967837E+03 0.12505E-03 -0.21200E-04 3880 0.373E-02 0.103E-01 RMM: 7 -0.331459023898E+03 -0.56061E-04 -0.11257E-04 3791 0.296E-02 0.139E-01 RMM: 8 -0.331458900232E+03 0.12367E-03 -0.57547E-05 3375 0.227E-02 0.300E-02 RMM: 9 -0.331458908591E+03 -0.83595E-05 -0.15276E-05 2530 0.110E-02 3357 T= 6591. E= 0.69362795E+03 F= 0.63909854E+03 E0= 0.66816394E+03 EK= 0.54529E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330993190523E+03 0.46571E+00 -0.16130E-01 7608 0.239E+01 0.353E-01 RMM: 2 -0.331006469314E+03 -0.13279E-01 -0.10443E-01 4970 0.752E-01 0.930E-01 RMM: 3 -0.331000384470E+03 0.60848E-02 -0.11172E-02 5569 0.219E-01 0.264E-01 RMM: 4 -0.331001096916E+03 -0.71245E-03 -0.21555E-03 5170 0.117E-01 0.448E-01 RMM: 5 -0.330999847501E+03 0.12494E-02 -0.91631E-04 4602 0.818E-02 0.163E-01 RMM: 6 -0.330999759975E+03 0.87526E-04 -0.24067E-04 3888 0.404E-02 0.121E-01 RMM: 7 -0.330999766149E+03 -0.61739E-05 -0.10670E-04 3842 0.303E-02 3358 T= 6463. E= 0.69340460E+03 F= 0.63993791E+03 E0= 0.66901115E+03 EK= 0.53467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330665499442E+03 0.33426E+00 -0.15540E-01 7752 0.236E+01 0.388E-01 RMM: 2 -0.330676120310E+03 -0.10621E-01 -0.88475E-02 5041 0.706E-01 0.882E-01 RMM: 3 -0.330670993396E+03 0.51269E-02 -0.95861E-03 5498 0.209E-01 0.297E-01 RMM: 4 -0.330672098969E+03 -0.11056E-02 -0.22407E-03 5175 0.119E-01 0.531E-01 RMM: 5 -0.330670314562E+03 0.17844E-02 -0.11523E-03 4608 0.930E-02 0.158E-01 RMM: 6 -0.330670296290E+03 0.18272E-04 -0.28597E-04 3895 0.433E-02 0.154E-01 RMM: 7 -0.330670249694E+03 0.46596E-04 -0.15059E-04 3877 0.358E-02 0.130E-01 RMM: 8 -0.330670146433E+03 0.10326E-03 -0.68923E-05 3468 0.242E-02 0.392E-02 RMM: 9 -0.330670164459E+03 -0.18026E-04 -0.23243E-05 2647 0.140E-02 3359 T= 6350. E= 0.69317954E+03 F= 0.64064982E+03 E0= 0.66974204E+03 EK= 0.52530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330529744983E+03 0.14040E+00 -0.15831E-01 7524 0.235E+01 0.332E-01 RMM: 2 -0.330545061338E+03 -0.15316E-01 -0.10368E-01 4857 0.766E-01 0.107E+00 RMM: 3 -0.330536998580E+03 0.80628E-02 -0.11609E-02 5486 0.231E-01 0.242E-01 RMM: 4 -0.330537653375E+03 -0.65479E-03 -0.19488E-03 5144 0.108E-01 0.418E-01 RMM: 5 -0.330536589026E+03 0.10643E-02 -0.77972E-04 4605 0.751E-02 0.158E-01 RMM: 6 -0.330536479812E+03 0.10921E-03 -0.23625E-04 3891 0.404E-02 0.958E-02 RMM: 7 -0.330536525858E+03 -0.46047E-04 -0.83017E-05 3615 0.262E-02 0.128E-01 RMM: 8 -0.330536419210E+03 0.10665E-03 -0.43901E-05 3216 0.201E-02 0.256E-02 RMM: 9 -0.330536420374E+03 -0.11640E-05 -0.89596E-06 2476 0.842E-03 3360 T= 6298. E= 0.69326669E+03 F= 0.64116738E+03 E0= 0.67029202E+03 EK= 0.52099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330640133456E+03 -0.10371E+00 -0.15019E-01 7584 0.234E+01 0.388E-01 RMM: 2 -0.330650880154E+03 -0.10747E-01 -0.75054E-02 5154 0.655E-01 0.101E+00 RMM: 3 -0.330644193450E+03 0.66867E-02 -0.82184E-03 5381 0.203E-01 0.293E-01 RMM: 4 -0.330645189335E+03 -0.99589E-03 -0.23043E-03 5168 0.119E-01 0.498E-01 RMM: 5 -0.330643688384E+03 0.15010E-02 -0.10234E-03 4607 0.879E-02 0.198E-01 RMM: 6 -0.330643477614E+03 0.21077E-03 -0.24385E-04 3895 0.403E-02 0.970E-02 RMM: 7 -0.330643542899E+03 -0.65284E-04 -0.13458E-04 3858 0.321E-02 0.141E-01 RMM: 8 -0.330643417749E+03 0.12515E-03 -0.65378E-05 3459 0.242E-02 0.372E-02 RMM: 9 -0.330643421110E+03 -0.33612E-05 -0.17250E-05 2534 0.119E-02 3361 T= 6330. E= 0.69380743E+03 F= 0.64144427E+03 E0= 0.67061285E+03 EK= 0.52363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331006405953E+03 -0.36299E+00 -0.15333E-01 7572 0.236E+01 0.387E-01 RMM: 2 -0.331019978026E+03 -0.13572E-01 -0.73462E-02 5094 0.655E-01 0.120E+00 RMM: 3 -0.331010263396E+03 0.97146E-02 -0.86108E-03 5348 0.212E-01 0.265E-01 RMM: 4 -0.331011412241E+03 -0.11488E-02 -0.23163E-03 5112 0.118E-01 0.504E-01 RMM: 5 -0.331009858418E+03 0.15538E-02 -0.91093E-04 4608 0.809E-02 0.176E-01 RMM: 6 -0.331009706540E+03 0.15188E-03 -0.22808E-04 3890 0.393E-02 0.958E-02 RMM: 7 -0.331009761587E+03 -0.55048E-04 -0.10243E-04 3750 0.280E-02 0.131E-01 RMM: 8 -0.331009652732E+03 0.10886E-03 -0.53720E-05 3326 0.220E-02 0.342E-02 RMM: 9 -0.331009655017E+03 -0.22855E-05 -0.13600E-05 2511 0.105E-02 3362 T= 6438. E= 0.69472292E+03 F= 0.64146046E+03 E0= 0.67068245E+03 EK= 0.53262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331624105991E+03 -0.61445E+00 -0.15868E-01 7668 0.238E+01 0.393E-01 RMM: 2 -0.331636716822E+03 -0.12611E-01 -0.79495E-02 5078 0.675E-01 0.111E+00 RMM: 3 -0.331628503633E+03 0.82132E-02 -0.92054E-03 5362 0.215E-01 0.288E-01 RMM: 4 -0.331629692660E+03 -0.11890E-02 -0.24236E-03 5206 0.120E-01 0.524E-01 RMM: 5 -0.331628056843E+03 0.16358E-02 -0.98544E-04 4606 0.851E-02 0.196E-01 RMM: 6 -0.331627830744E+03 0.22610E-03 -0.20829E-04 3877 0.369E-02 0.749E-02 RMM: 7 -0.331627895162E+03 -0.64418E-04 -0.10651E-04 3755 0.280E-02 0.127E-01 RMM: 8 -0.331627793524E+03 0.10164E-03 -0.52851E-05 3313 0.219E-02 0.298E-02 RMM: 9 -0.331627801433E+03 -0.79084E-05 -0.15578E-05 2522 0.113E-02 3363 T= 6588. E= 0.69572162E+03 F= 0.64122243E+03 E0= 0.67050464E+03 EK= 0.54499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332469482845E+03 -0.84169E+00 -0.16515E-01 7980 0.241E+01 0.402E-01 RMM: 2 -0.332481363145E+03 -0.11880E-01 -0.74613E-02 5163 0.663E-01 0.112E+00 RMM: 3 -0.332473295852E+03 0.80673E-02 -0.86477E-03 5358 0.211E-01 0.300E-01 RMM: 4 -0.332474435742E+03 -0.11399E-02 -0.24305E-03 5109 0.120E-01 0.520E-01 RMM: 5 -0.332472744848E+03 0.16909E-02 -0.94042E-04 4605 0.819E-02 0.176E-01 RMM: 6 -0.332472577961E+03 0.16689E-03 -0.19066E-04 3876 0.355E-02 0.836E-02 RMM: 7 -0.332472628611E+03 -0.50650E-04 -0.93109E-05 3700 0.262E-02 0.123E-01 RMM: 8 -0.332472531705E+03 0.96906E-04 -0.49650E-05 3263 0.212E-02 0.311E-02 RMM: 9 -0.332472537929E+03 -0.62240E-05 -0.15037E-05 2517 0.109E-02 3364 T= 6723. E= 0.69637020E+03 F= 0.64075597E+03 E0= 0.67010197E+03 EK= 0.55614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333503891272E+03 -0.10314E+01 -0.17185E-01 7968 0.242E+01 0.392E-01 RMM: 2 -0.333514279296E+03 -0.10388E-01 -0.81992E-02 5062 0.684E-01 0.941E-01 RMM: 3 -0.333508585293E+03 0.56940E-02 -0.92012E-03 5385 0.211E-01 0.314E-01 RMM: 4 -0.333509740161E+03 -0.11549E-02 -0.23125E-03 5186 0.118E-01 0.529E-01 RMM: 5 -0.333507967793E+03 0.17724E-02 -0.97533E-04 4607 0.839E-02 0.165E-01 RMM: 6 -0.333507817612E+03 0.15018E-03 -0.19040E-04 3880 0.351E-02 0.821E-02 RMM: 7 -0.333507876382E+03 -0.58770E-04 -0.96729E-05 3679 0.266E-02 0.130E-01 RMM: 8 -0.333507771940E+03 0.10444E-03 -0.52096E-05 3291 0.218E-02 0.305E-02 RMM: 9 -0.333507782075E+03 -0.10134E-04 -0.16788E-05 2530 0.115E-02 3365 T= 6788. E= 0.69625145E+03 F= 0.64009906E+03 E0= 0.66950921E+03 EK= 0.56152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334692207937E+03 -0.11844E+01 -0.17534E-01 7980 0.243E+01 0.398E-01 RMM: 2 -0.334703186508E+03 -0.10979E-01 -0.80054E-02 5103 0.681E-01 0.102E+00 RMM: 3 -0.334696537285E+03 0.66492E-02 -0.90094E-03 5415 0.209E-01 0.297E-01 RMM: 4 -0.334697731304E+03 -0.11940E-02 -0.23667E-03 5145 0.119E-01 0.529E-01 RMM: 5 -0.334695972137E+03 0.17592E-02 -0.99761E-04 4613 0.849E-02 0.173E-01 RMM: 6 -0.334695817676E+03 0.15446E-03 -0.19998E-04 3881 0.360E-02 0.897E-02 RMM: 7 -0.334695858073E+03 -0.40397E-04 -0.97504E-05 3738 0.274E-02 0.121E-01 RMM: 8 -0.334695766070E+03 0.92003E-04 -0.48633E-05 3265 0.209E-02 0.324E-02 RMM: 9 -0.334695772464E+03 -0.63945E-05 -0.15742E-05 2513 0.111E-02 3366 T= 6753. E= 0.69516083E+03 F= 0.63929232E+03 E0= 0.66876378E+03 EK= 0.55869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336000453442E+03 -0.13047E+01 -0.17390E-01 7968 0.241E+01 0.385E-01 RMM: 2 -0.336009921290E+03 -0.94678E-02 -0.74713E-02 5070 0.654E-01 0.921E-01 RMM: 3 -0.336004486128E+03 0.54352E-02 -0.85528E-03 5411 0.206E-01 0.305E-01 RMM: 4 -0.336005680344E+03 -0.11942E-02 -0.22125E-03 5144 0.117E-01 0.528E-01 RMM: 5 -0.336003887746E+03 0.17926E-02 -0.95993E-04 4605 0.832E-02 0.162E-01 RMM: 6 -0.336003759718E+03 0.12803E-03 -0.21786E-04 3890 0.376E-02 0.967E-02 RMM: 7 -0.336003807840E+03 -0.48123E-04 -0.10394E-04 3727 0.284E-02 0.134E-01 RMM: 8 -0.336003697478E+03 0.11036E-03 -0.53471E-05 3319 0.219E-02 0.318E-02 RMM: 9 -0.336003706572E+03 -0.90938E-05 -0.16316E-05 2530 0.114E-02 3367 T= 6631. E= 0.69322476E+03 F= 0.63837165E+03 E0= 0.66789990E+03 EK= 0.54853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337403301396E+03 -0.13996E+01 -0.16541E-01 8040 0.238E+01 0.395E-01 RMM: 2 -0.337415371449E+03 -0.12070E-01 -0.77389E-02 5088 0.668E-01 0.112E+00 RMM: 3 -0.337407395306E+03 0.79761E-02 -0.89645E-03 5439 0.207E-01 0.273E-01 RMM: 4 -0.337408582880E+03 -0.11876E-02 -0.24525E-03 5220 0.123E-01 0.522E-01 RMM: 5 -0.337406937633E+03 0.16452E-02 -0.10626E-03 4612 0.882E-02 0.195E-01 RMM: 6 -0.337406743585E+03 0.19405E-03 -0.24903E-04 3887 0.403E-02 0.994E-02 RMM: 7 -0.337406767839E+03 -0.24254E-04 -0.11004E-04 3819 0.309E-02 0.118E-01 RMM: 8 -0.337406679817E+03 0.88022E-04 -0.44815E-05 3227 0.202E-02 0.321E-02 RMM: 9 -0.337406689491E+03 -0.96741E-05 -0.15642E-05 2521 0.112E-02 3368 T= 6465. E= 0.69084603E+03 F= 0.63736429E+03 E0= 0.66694380E+03 EK= 0.53482E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338882273329E+03 -0.14756E+01 -0.15959E-01 7860 0.235E+01 0.381E-01 RMM: 2 -0.338891830640E+03 -0.95573E-02 -0.74542E-02 5114 0.644E-01 0.925E-01 RMM: 3 -0.338886305582E+03 0.55251E-02 -0.84374E-03 5433 0.199E-01 0.294E-01 RMM: 4 -0.338887469116E+03 -0.11635E-02 -0.22274E-03 5124 0.119E-01 0.526E-01 RMM: 5 -0.338885751871E+03 0.17172E-02 -0.10309E-03 4611 0.867E-02 0.181E-01 RMM: 6 -0.338885594295E+03 0.15758E-03 -0.26087E-04 3902 0.416E-02 0.107E-01 RMM: 7 -0.338885627690E+03 -0.33395E-04 -0.12109E-04 3832 0.321E-02 0.133E-01 RMM: 8 -0.338885517693E+03 0.11000E-03 -0.51361E-05 3311 0.215E-02 0.320E-02 RMM: 9 -0.338885528836E+03 -0.11142E-04 -0.16898E-05 2535 0.117E-02 3369 T= 6314. E= 0.68852011E+03 F= 0.63629035E+03 E0= 0.66591592E+03 EK= 0.52230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340418306680E+03 -0.15328E+01 -0.15850E-01 8028 0.233E+01 0.392E-01 RMM: 2 -0.340429016926E+03 -0.10710E-01 -0.70773E-02 5087 0.640E-01 0.106E+00 RMM: 3 -0.340421765029E+03 0.72519E-02 -0.79766E-03 5430 0.198E-01 0.268E-01 RMM: 4 -0.340422979189E+03 -0.12142E-02 -0.24804E-03 5210 0.125E-01 0.526E-01 RMM: 5 -0.340421307935E+03 0.16713E-02 -0.11378E-03 4611 0.921E-02 0.189E-01 RMM: 6 -0.340421143979E+03 0.16396E-03 -0.25828E-04 3894 0.412E-02 0.112E-01 RMM: 7 -0.340421143616E+03 0.36373E-06 -0.12329E-04 3849 0.335E-02 3370 T= 6224. E= 0.68665420E+03 F= 0.63516813E+03 E0= 0.66483434E+03 EK= 0.51486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341990792036E+03 -0.15696E+01 -0.15471E-01 7836 0.232E+01 0.423E-01 RMM: 2 -0.341997246791E+03 -0.64548E-02 -0.59892E-02 5243 0.580E-01 0.822E-01 RMM: 3 -0.341993241116E+03 0.40057E-02 -0.63316E-03 5424 0.177E-01 0.354E-01 RMM: 4 -0.341994600365E+03 -0.13592E-02 -0.27198E-03 5097 0.134E-01 0.594E-01 RMM: 5 -0.341992339038E+03 0.22613E-02 -0.14224E-03 4612 0.102E-01 0.156E-01 RMM: 6 -0.341992319354E+03 0.19684E-04 -0.28035E-04 3917 0.428E-02 0.155E-01 RMM: 7 -0.341992253932E+03 0.65423E-04 -0.15287E-04 3879 0.369E-02 0.122E-01 RMM: 8 -0.341992164760E+03 0.89172E-04 -0.64717E-05 3423 0.236E-02 0.409E-02 RMM: 9 -0.341992189662E+03 -0.24902E-04 -0.23964E-05 2652 0.140E-02 0.685E-02 RMM: 10 -0.341992173574E+03 0.16088E-04 -0.18979E-05 2537 0.139E-02 3371 T= 6219. E= 0.68546403E+03 F= 0.63401675E+03 E0= 0.66371881E+03 EK= 0.51447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343567752799E+03 -0.15756E+01 -0.16070E-01 7848 0.233E+01 0.353E-01 RMM: 2 -0.343575700239E+03 -0.79474E-02 -0.69868E-02 5095 0.626E-01 0.823E-01 RMM: 3 -0.343571493801E+03 0.42064E-02 -0.77358E-03 5477 0.188E-01 0.264E-01 RMM: 4 -0.343572542565E+03 -0.10488E-02 -0.18632E-03 4884 0.108E-01 0.496E-01 RMM: 5 -0.343571061263E+03 0.14813E-02 -0.87797E-04 4607 0.801E-02 0.180E-01 RMM: 6 -0.343570879932E+03 0.18133E-03 -0.24277E-04 3901 0.401E-02 0.794E-02 RMM: 7 -0.343570900488E+03 -0.20556E-04 -0.73113E-05 3587 0.263E-02 0.996E-02 RMM: 8 -0.343570836373E+03 0.64115E-04 -0.25463E-05 2852 0.160E-02 0.251E-02 RMM: 9 -0.343570838230E+03 -0.18572E-05 -0.89932E-06 2467 0.850E-03 3372 T= 6296. E= 0.68494678E+03 F= 0.63286118E+03 E0= 0.66259601E+03 EK= 0.52086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345120871698E+03 -0.15500E+01 -0.16130E-01 7776 0.235E+01 0.416E-01 RMM: 2 -0.345126646372E+03 -0.57747E-02 -0.63335E-02 5231 0.589E-01 0.731E-01 RMM: 3 -0.345123696736E+03 0.29496E-02 -0.65990E-03 5472 0.174E-01 0.360E-01 RMM: 4 -0.345124771280E+03 -0.10745E-02 -0.22978E-03 5071 0.122E-01 0.561E-01 RMM: 5 -0.345122697365E+03 0.20739E-02 -0.11775E-03 4608 0.919E-02 0.126E-01 RMM: 6 -0.345122698378E+03 -0.10128E-05 -0.23682E-04 3895 0.390E-02 0.135E-01 RMM: 7 -0.345122663834E+03 0.34544E-04 -0.96050E-05 3740 0.289E-02 0.120E-01 RMM: 8 -0.345122574709E+03 0.89125E-04 -0.44912E-05 3234 0.197E-02 0.318E-02 RMM: 9 -0.345122594395E+03 -0.19686E-04 -0.21678E-05 2599 0.132E-02 3373 T= 6426. E= 0.68489570E+03 F= 0.63173347E+03 E0= 0.66149752E+03 EK= 0.53162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346607766028E+03 -0.14852E+01 -0.16630E-01 7956 0.237E+01 0.394E-01 RMM: 2 -0.346615851516E+03 -0.80855E-02 -0.73858E-02 5069 0.635E-01 0.838E-01 RMM: 3 -0.346611537457E+03 0.43141E-02 -0.80330E-03 5485 0.191E-01 0.308E-01 RMM: 4 -0.346612742933E+03 -0.12055E-02 -0.23786E-03 5088 0.123E-01 0.543E-01 RMM: 5 -0.346610891171E+03 0.18518E-02 -0.10765E-03 4608 0.878E-02 0.157E-01 RMM: 6 -0.346610794326E+03 0.96845E-04 -0.23240E-04 3887 0.386E-02 0.108E-01 RMM: 7 -0.346610799139E+03 -0.48130E-05 -0.89882E-05 3753 0.284E-02 3374 T= 6562. E= 0.68495567E+03 F= 0.63066894E+03 E0= 0.66046002E+03 EK= 0.54287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348000809667E+03 -0.13900E+01 -0.16486E-01 8100 0.239E+01 0.438E-01 RMM: 2 -0.348008386593E+03 -0.75769E-02 -0.72995E-02 5136 0.635E-01 0.844E-01 RMM: 3 -0.348004310016E+03 0.40766E-02 -0.83514E-03 5451 0.198E-01 0.378E-01 RMM: 4 -0.348005762770E+03 -0.14528E-02 -0.26754E-03 5153 0.130E-01 0.618E-01 RMM: 5 -0.348003225467E+03 0.25373E-02 -0.14159E-03 4611 0.101E-01 0.123E-01 RMM: 6 -0.348003283519E+03 -0.58052E-04 -0.24672E-04 3889 0.397E-02 0.162E-01 RMM: 7 -0.348003185438E+03 0.98081E-04 -0.12222E-04 3868 0.323E-02 0.111E-01 RMM: 8 -0.348003111859E+03 0.73580E-04 -0.56543E-05 3360 0.215E-02 0.363E-02 RMM: 9 -0.348003143510E+03 -0.31652E-04 -0.24082E-05 2628 0.141E-02 0.721E-02 RMM: 10 -0.348003117968E+03 0.25543E-04 -0.16086E-05 2523 0.132E-02 0.201E-02 RMM: 11 -0.348003116924E+03 0.10434E-05 -0.36772E-06 2428 0.568E-03 3375 T= 6653. E= 0.68473493E+03 F= 0.62970011E+03 E0= 0.65951705E+03 EK= 0.55035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349272345523E+03 -0.12692E+01 -0.16586E-01 8016 0.239E+01 0.362E-01 RMM: 2 -0.349279124591E+03 -0.67791E-02 -0.72065E-02 5098 0.619E-01 0.697E-01 RMM: 3 -0.349276203310E+03 0.29213E-02 -0.76234E-03 5481 0.188E-01 0.324E-01 RMM: 4 -0.349277122752E+03 -0.91944E-03 -0.19109E-03 4931 0.111E-01 0.505E-01 RMM: 5 -0.349275533862E+03 0.15889E-02 -0.81310E-04 4605 0.760E-02 0.163E-01 RMM: 6 -0.349275388842E+03 0.14502E-03 -0.22810E-04 3900 0.384E-02 0.817E-02 RMM: 7 -0.349275372811E+03 0.16031E-04 -0.67320E-05 3530 0.258E-02 3376 T= 6662. E= 0.68396385E+03 F= 0.62885262E+03 E0= 0.65869548E+03 EK= 0.55111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350413791077E+03 -0.11384E+01 -0.15927E-01 8340 0.238E+01 0.438E-01 RMM: 2 -0.350419943363E+03 -0.61523E-02 -0.63433E-02 5182 0.590E-01 0.799E-01 RMM: 3 -0.350416279775E+03 0.36636E-02 -0.67683E-03 5432 0.183E-01 0.376E-01 RMM: 4 -0.350417713854E+03 -0.14341E-02 -0.27745E-03 5087 0.134E-01 0.618E-01 RMM: 5 -0.350415198991E+03 0.25149E-02 -0.14794E-03 4606 0.103E-01 0.124E-01 RMM: 6 -0.350415264679E+03 -0.65688E-04 -0.24795E-04 3892 0.400E-02 0.167E-01 RMM: 7 -0.350415158924E+03 0.10576E-03 -0.12808E-04 3877 0.339E-02 0.114E-01 RMM: 8 -0.350415081355E+03 0.77568E-04 -0.59011E-05 3388 0.222E-02 0.387E-02 RMM: 9 -0.350415109499E+03 -0.28143E-04 -0.27946E-05 2806 0.151E-02 0.708E-02 RMM: 10 -0.350415085787E+03 0.23711E-04 -0.19684E-05 2546 0.145E-02 0.193E-02 RMM: 11 -0.350415084961E+03 0.82638E-06 -0.33785E-06 2429 0.534E-03 3377 T= 6586. E= 0.68262405E+03 F= 0.62814099E+03 E0= 0.65800938E+03 EK= 0.54483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351415754542E+03 -0.10007E+01 -0.15739E-01 8256 0.236E+01 0.351E-01 RMM: 2 -0.351421538503E+03 -0.57840E-02 -0.68867E-02 4987 0.601E-01 0.581E-01 RMM: 3 -0.351419594408E+03 0.19441E-02 -0.71052E-03 5487 0.181E-01 0.339E-01 RMM: 4 -0.351420352754E+03 -0.75835E-03 -0.19304E-03 5022 0.114E-01 0.492E-01 RMM: 5 -0.351418780700E+03 0.15721E-02 -0.87748E-04 4608 0.791E-02 0.125E-01 RMM: 6 -0.351418761704E+03 0.18996E-04 -0.22808E-04 3901 0.387E-02 0.122E-01 RMM: 7 -0.351418715973E+03 0.45731E-04 -0.10171E-04 3814 0.312E-02 0.927E-02 RMM: 8 -0.351418664915E+03 0.51058E-04 -0.23995E-05 2752 0.153E-02 0.313E-02 RMM: 9 -0.351418668133E+03 -0.32183E-05 -0.12767E-05 2476 0.103E-02 3378 T= 6454. E= 0.68095973E+03 F= 0.62757048E+03 E0= 0.65746488E+03 EK= 0.53389E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352282080082E+03 -0.86342E+00 -0.15440E-01 8160 0.233E+01 0.396E-01 RMM: 2 -0.352287677317E+03 -0.55972E-02 -0.66541E-02 5037 0.590E-01 0.653E-01 RMM: 3 -0.352285300456E+03 0.23769E-02 -0.70504E-03 5453 0.183E-01 0.364E-01 RMM: 4 -0.352286529326E+03 -0.12289E-02 -0.21209E-03 5022 0.117E-01 0.583E-01 RMM: 5 -0.352284359401E+03 0.21699E-02 -0.11214E-03 4608 0.895E-02 0.137E-01 RMM: 6 -0.352284317749E+03 0.41652E-04 -0.26454E-04 3915 0.417E-02 0.122E-01 RMM: 7 -0.352284305282E+03 0.12468E-04 -0.12082E-04 3859 0.335E-02 3379 T= 6312. E= 0.67936348E+03 F= 0.62714342E+03 E0= 0.65706271E+03 EK= 0.52220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353002290794E+03 -0.71797E+00 -0.15484E-01 8112 0.231E+01 0.446E-01 RMM: 2 -0.353009232191E+03 -0.69414E-02 -0.69918E-02 5037 0.607E-01 0.825E-01 RMM: 3 -0.353005248533E+03 0.39837E-02 -0.83041E-03 5386 0.204E-01 0.391E-01 RMM: 4 -0.353007048940E+03 -0.18004E-02 -0.28369E-03 5133 0.136E-01 0.665E-01 RMM: 5 -0.353004238746E+03 0.28102E-02 -0.15073E-03 4610 0.105E-01 0.170E-01 RMM: 6 -0.353004164531E+03 0.74215E-04 -0.33314E-04 3908 0.468E-02 0.146E-01 RMM: 7 -0.353004122082E+03 0.42449E-04 -0.19610E-04 3884 0.431E-02 0.128E-01 RMM: 8 -0.353004029591E+03 0.92491E-04 -0.53802E-05 3301 0.222E-02 0.465E-02 RMM: 9 -0.353004051876E+03 -0.22285E-04 -0.35295E-05 2972 0.169E-02 0.694E-02 RMM: 10 -0.353004034126E+03 0.17750E-04 -0.26975E-05 2656 0.163E-02 3380 T= 6208. E= 0.67822270E+03 F= 0.62686669E+03 E0= 0.65680885E+03 EK= 0.51356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353559680303E+03 -0.55563E+00 -0.15354E-01 8052 0.230E+01 0.331E-01 RMM: 2 -0.353567308941E+03 -0.76286E-02 -0.70561E-02 5000 0.590E-01 0.731E-01 RMM: 3 -0.353563641884E+03 0.36671E-02 -0.71752E-03 5434 0.181E-01 0.266E-01 RMM: 4 -0.353564736734E+03 -0.10949E-02 -0.18230E-03 4862 0.108E-01 0.503E-01 RMM: 5 -0.353563178109E+03 0.15586E-02 -0.89521E-04 4604 0.814E-02 0.150E-01 RMM: 6 -0.353563059140E+03 0.11897E-03 -0.22843E-04 3904 0.390E-02 0.823E-02 RMM: 7 -0.353563092467E+03 -0.33327E-04 -0.91519E-05 3830 0.289E-02 0.113E-01 RMM: 8 -0.353563011727E+03 0.80741E-04 -0.34649E-05 3028 0.183E-02 0.283E-02 RMM: 9 -0.353563011939E+03 -0.21278E-06 -0.10107E-05 2467 0.952E-03 3381 T= 6171. E= 0.67780074E+03 F= 0.62675256E+03 E0= 0.65671669E+03 EK= 0.51048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353937347215E+03 -0.37434E+00 -0.15616E-01 8124 0.230E+01 0.422E-01 RMM: 2 -0.353944153135E+03 -0.68059E-02 -0.71576E-02 5123 0.589E-01 0.759E-01 RMM: 3 -0.353940585384E+03 0.35678E-02 -0.71850E-03 5438 0.182E-01 0.352E-01 RMM: 4 -0.353941824683E+03 -0.12393E-02 -0.24442E-03 5032 0.126E-01 0.580E-01 RMM: 5 -0.353939683276E+03 0.21414E-02 -0.11211E-03 4608 0.899E-02 0.141E-01 RMM: 6 -0.353939634732E+03 0.48544E-04 -0.22553E-04 3901 0.378E-02 0.123E-01 RMM: 7 -0.353939629585E+03 0.51461E-05 -0.13871E-04 3873 0.349E-02 3382 T= 6209. E= 0.67818562E+03 F= 0.62681930E+03 E0= 0.65680137E+03 EK= 0.51366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354104545253E+03 -0.16491E+00 -0.16159E-01 8328 0.231E+01 0.437E-01 RMM: 2 -0.354113719914E+03 -0.91747E-02 -0.81947E-02 5054 0.637E-01 0.896E-01 RMM: 3 -0.354108755957E+03 0.49640E-02 -0.88768E-03 5431 0.204E-01 0.372E-01 RMM: 4 -0.354110160666E+03 -0.14047E-02 -0.29348E-03 5078 0.135E-01 0.610E-01 RMM: 5 -0.354107826319E+03 0.23343E-02 -0.15499E-03 4604 0.106E-01 0.165E-01 RMM: 6 -0.354107751771E+03 0.74548E-04 -0.26500E-04 3894 0.419E-02 0.135E-01 RMM: 7 -0.354107760372E+03 -0.86008E-05 -0.17585E-04 3887 0.393E-02 3383 T= 6309. E= 0.67928251E+03 F= 0.62708973E+03 E0= 0.65708528E+03 EK= 0.52193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354037633586E+03 0.70118E-01 -0.16666E-01 8340 0.233E+01 0.405E-01 RMM: 2 -0.354048760846E+03 -0.11127E-01 -0.85869E-02 5112 0.641E-01 0.980E-01 RMM: 3 -0.354042274520E+03 0.64863E-02 -0.87613E-03 5414 0.204E-01 0.320E-01 RMM: 4 -0.354043569675E+03 -0.12952E-02 -0.26694E-03 5106 0.128E-01 0.552E-01 RMM: 5 -0.354041797820E+03 0.17719E-02 -0.11284E-03 4612 0.900E-02 0.231E-01 RMM: 6 -0.354041472897E+03 0.32492E-03 -0.32301E-04 3947 0.466E-02 0.862E-02 RMM: 7 -0.354041577853E+03 -0.10496E-03 -0.14959E-04 3880 0.344E-02 0.154E-01 RMM: 8 -0.354041434080E+03 0.14377E-03 -0.71794E-05 3545 0.254E-02 0.429E-02 RMM: 9 -0.354041435874E+03 -0.17942E-05 -0.19613E-05 2580 0.130E-02 3384 T= 6437. E= 0.68083736E+03 F= 0.62758749E+03 E0= 0.65759164E+03 EK= 0.53250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353720431749E+03 0.32100E+00 -0.17483E-01 8544 0.235E+01 0.370E-01 RMM: 2 -0.353736298742E+03 -0.15867E-01 -0.92778E-02 5118 0.651E-01 0.122E+00 RMM: 3 -0.353725704752E+03 0.10594E-01 -0.92537E-03 5406 0.212E-01 0.245E-01 RMM: 4 -0.353726973942E+03 -0.12692E-02 -0.23100E-03 5005 0.116E-01 0.521E-01 RMM: 5 -0.353725384122E+03 0.15898E-02 -0.93645E-04 4608 0.821E-02 0.181E-01 RMM: 6 -0.353725185270E+03 0.19885E-03 -0.21507E-04 3901 0.377E-02 0.731E-02 RMM: 7 -0.353725245245E+03 -0.59975E-04 -0.98739E-05 3747 0.272E-02 0.123E-01 RMM: 8 -0.353725150338E+03 0.94907E-04 -0.49357E-05 3256 0.217E-02 0.369E-02 RMM: 9 -0.353725145812E+03 0.45258E-05 -0.10931E-05 2488 0.971E-03 3385 T= 6548. E= 0.68249998E+03 F= 0.62832719E+03 E0= 0.65833420E+03 EK= 0.54173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353161823108E+03 0.56333E+00 -0.18370E-01 8784 0.237E+01 0.433E-01 RMM: 2 -0.353177182593E+03 -0.15359E-01 -0.98375E-02 5203 0.676E-01 0.122E+00 RMM: 3 -0.353167059275E+03 0.10123E-01 -0.10486E-02 5417 0.230E-01 0.334E-01 RMM: 4 -0.353167992738E+03 -0.93346E-03 -0.28950E-03 5220 0.131E-01 0.515E-01 RMM: 5 -0.353166536559E+03 0.14562E-02 -0.11391E-03 4604 0.900E-02 0.256E-01 RMM: 6 -0.353166151317E+03 0.38524E-03 -0.29895E-04 3905 0.450E-02 0.976E-02 RMM: 7 -0.353166235570E+03 -0.84253E-04 -0.18397E-04 3895 0.373E-02 0.150E-01 RMM: 8 -0.353166101253E+03 0.13432E-03 -0.92851E-05 3679 0.284E-02 0.522E-02 RMM: 9 -0.353166094862E+03 0.63902E-05 -0.22879E-05 2673 0.141E-02 3386 T= 6604. E= 0.68393879E+03 F= 0.62930211E+03 E0= 0.65930643E+03 EK= 0.54637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352405758998E+03 0.76034E+00 -0.19126E-01 8568 0.237E+01 0.401E-01 RMM: 2 -0.352426615492E+03 -0.20856E-01 -0.11451E-01 5148 0.718E-01 0.138E+00 RMM: 3 -0.352412803612E+03 0.13812E-01 -0.11534E-02 5432 0.238E-01 0.288E-01 RMM: 4 -0.352413601021E+03 -0.79741E-03 -0.26968E-03 5206 0.124E-01 0.471E-01 RMM: 5 -0.352412403562E+03 0.11975E-02 -0.11011E-03 4608 0.895E-02 0.222E-01 RMM: 6 -0.352412122436E+03 0.28113E-03 -0.26087E-04 3908 0.418E-02 0.943E-02 RMM: 7 -0.352412202070E+03 -0.79634E-04 -0.15767E-04 3888 0.340E-02 0.146E-01 RMM: 8 -0.352412081368E+03 0.12070E-03 -0.82878E-05 3638 0.272E-02 0.538E-02 RMM: 9 -0.352412070570E+03 0.10798E-04 -0.17030E-05 2543 0.124E-02 3387 T= 6589. E= 0.68497147E+03 F= 0.63046588E+03 E0= 0.66046299E+03 EK= 0.54506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351548790110E+03 0.86329E+00 -0.19441E-01 8844 0.236E+01 0.393E-01 RMM: 2 -0.351565502892E+03 -0.16713E-01 -0.11380E-01 5352 0.702E-01 0.115E+00 RMM: 3 -0.351555934966E+03 0.95679E-02 -0.98034E-03 5407 0.222E-01 0.305E-01 RMM: 4 -0.351556591556E+03 -0.65659E-03 -0.25109E-03 5135 0.121E-01 0.457E-01 RMM: 5 -0.351555537032E+03 0.10545E-02 -0.10915E-03 4608 0.886E-02 0.253E-01 RMM: 6 -0.351555161094E+03 0.37594E-03 -0.33321E-04 3940 0.478E-02 0.980E-02 RMM: 7 -0.351555263882E+03 -0.10279E-03 -0.17969E-04 3885 0.372E-02 0.161E-01 RMM: 8 -0.351555111146E+03 0.15274E-03 -0.93519E-05 3714 0.287E-02 0.543E-02 RMM: 9 -0.351555102291E+03 0.88550E-05 -0.20982E-05 2612 0.137E-02 3388 T= 6516. E= 0.68563383E+03 F= 0.63172801E+03 E0= 0.66171471E+03 EK= 0.53906E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350710240919E+03 0.84487E+00 -0.19561E-01 8832 0.235E+01 0.407E-01 RMM: 2 -0.350735810904E+03 -0.25570E-01 -0.11576E-01 5323 0.714E-01 0.161E+00 RMM: 3 -0.350717667643E+03 0.18143E-01 -0.11512E-02 5363 0.249E-01 0.321E-01 RMM: 4 -0.350718005371E+03 -0.33773E-03 -0.25732E-03 5189 0.119E-01 0.411E-01 RMM: 5 -0.350717332572E+03 0.67280E-03 -0.10833E-03 4608 0.889E-02 0.282E-01 RMM: 6 -0.350716850598E+03 0.48197E-03 -0.35128E-04 3926 0.492E-02 0.941E-02 RMM: 7 -0.350716949820E+03 -0.99222E-04 -0.19640E-04 3894 0.394E-02 0.156E-01 RMM: 8 -0.350716808638E+03 0.14118E-03 -0.85215E-05 3661 0.276E-02 0.550E-02 RMM: 9 -0.350716798426E+03 0.10212E-04 -0.18944E-05 2561 0.129E-02 3389 T= 6427. E= 0.68613299E+03 F= 0.63296794E+03 E0= 0.66294348E+03 EK= 0.53165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350010808985E+03 0.70600E+00 -0.19745E-01 8904 0.233E+01 0.391E-01 RMM: 2 -0.350031977808E+03 -0.21169E-01 -0.11892E-01 5294 0.722E-01 0.139E+00 RMM: 3 -0.350018586683E+03 0.13391E-01 -0.10853E-02 5390 0.238E-01 0.307E-01 RMM: 4 -0.350019087172E+03 -0.50049E-03 -0.24010E-03 5153 0.116E-01 0.431E-01 RMM: 5 -0.350018236004E+03 0.85117E-03 -0.98962E-04 4608 0.839E-02 0.262E-01 RMM: 6 -0.350017836064E+03 0.39994E-03 -0.35655E-04 3964 0.496E-02 0.101E-01 RMM: 7 -0.350017933951E+03 -0.97886E-04 -0.18862E-04 3888 0.385E-02 0.159E-01 RMM: 8 -0.350017782475E+03 0.15148E-03 -0.92235E-05 3709 0.284E-02 0.507E-02 RMM: 9 -0.350017776274E+03 0.62014E-05 -0.21321E-05 2626 0.138E-02 3390 T= 6365. E= 0.68672262E+03 F= 0.63406518E+03 E0= 0.66402992E+03 EK= 0.52657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349539250708E+03 0.47853E+00 -0.19412E-01 8904 0.233E+01 0.379E-01 RMM: 2 -0.349559180754E+03 -0.19930E-01 -0.10900E-01 5422 0.681E-01 0.134E+00 RMM: 3 -0.349546024108E+03 0.13157E-01 -0.92768E-03 5370 0.221E-01 0.264E-01 RMM: 4 -0.349546866340E+03 -0.84223E-03 -0.23711E-03 5119 0.117E-01 0.466E-01 RMM: 5 -0.349545690168E+03 0.11762E-02 -0.98612E-04 4608 0.851E-02 0.214E-01 RMM: 6 -0.349545437256E+03 0.25291E-03 -0.25728E-04 3894 0.415E-02 0.957E-02 RMM: 7 -0.349545503165E+03 -0.65908E-04 -0.13636E-04 3883 0.333E-02 0.139E-01 RMM: 8 -0.349545384599E+03 0.11857E-03 -0.58362E-05 3390 0.229E-02 0.402E-02 RMM: 9 -0.349545385989E+03 -0.13903E-05 -0.15021E-05 2515 0.112E-02 3391 T= 6363. E= 0.68757402E+03 F= 0.63493174E+03 E0= 0.66488831E+03 EK= 0.52642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349321344085E+03 0.22404E+00 -0.18787E-01 8916 0.234E+01 0.395E-01 RMM: 2 -0.349337844356E+03 -0.16500E-01 -0.10421E-01 5323 0.679E-01 0.118E+00 RMM: 3 -0.349327604095E+03 0.10240E-01 -0.95558E-03 5368 0.225E-01 0.343E-01 RMM: 4 -0.349327937600E+03 -0.33350E-03 -0.25409E-03 5130 0.120E-01 0.418E-01 RMM: 5 -0.349327081076E+03 0.85652E-03 -0.86744E-04 4608 0.780E-02 0.249E-01 RMM: 6 -0.349326699613E+03 0.38146E-03 -0.27684E-04 3919 0.438E-02 0.866E-02 RMM: 7 -0.349326791855E+03 -0.92242E-04 -0.14636E-04 3880 0.321E-02 0.147E-01 RMM: 8 -0.349326668151E+03 0.12370E-03 -0.68681E-05 3485 0.246E-02 0.565E-02 RMM: 9 -0.349326652302E+03 0.15850E-04 -0.18291E-05 2546 0.126E-02 3392 T= 6426. E= 0.68869945E+03 F= 0.63553964E+03 E0= 0.66549126E+03 EK= 0.53160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349321708223E+03 0.49599E-02 -0.18495E-01 8892 0.237E+01 0.404E-01 RMM: 2 -0.349338172121E+03 -0.16464E-01 -0.10282E-01 5271 0.684E-01 0.123E+00 RMM: 3 -0.349327534497E+03 0.10638E-01 -0.96822E-03 5381 0.223E-01 0.292E-01 RMM: 4 -0.349328781490E+03 -0.12470E-02 -0.25369E-03 5145 0.122E-01 0.530E-01 RMM: 5 -0.349327035329E+03 0.17462E-02 -0.94488E-04 4599 0.812E-02 0.178E-01 RMM: 6 -0.349326866684E+03 0.16865E-03 -0.21390E-04 3884 0.374E-02 0.920E-02 RMM: 7 -0.349326938939E+03 -0.72256E-04 -0.12221E-04 3883 0.293E-02 0.140E-01 RMM: 8 -0.349326815338E+03 0.12360E-03 -0.61944E-05 3414 0.231E-02 0.373E-02 RMM: 9 -0.349326816898E+03 -0.15594E-05 -0.15512E-05 2516 0.112E-02 3393 T= 6529. E= 0.68993454E+03 F= 0.63592304E+03 E0= 0.66587445E+03 EK= 0.54012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349465406636E+03 -0.13859E+00 -0.18128E-01 8712 0.240E+01 0.428E-01 RMM: 2 -0.349483507757E+03 -0.18101E-01 -0.10380E-01 5243 0.717E-01 0.134E+00 RMM: 3 -0.349471359403E+03 0.12148E-01 -0.11278E-02 5397 0.242E-01 0.368E-01 RMM: 4 -0.349471790102E+03 -0.43070E-03 -0.29143E-03 5221 0.129E-01 0.456E-01 RMM: 5 -0.349470724091E+03 0.10660E-02 -0.87642E-04 4607 0.777E-02 0.253E-01 RMM: 6 -0.349470314142E+03 0.40995E-03 -0.25900E-04 3900 0.425E-02 0.759E-02 RMM: 7 -0.349470405012E+03 -0.90871E-04 -0.13834E-04 3883 0.306E-02 0.142E-01 RMM: 8 -0.349470287365E+03 0.11765E-03 -0.64406E-05 3439 0.232E-02 0.537E-02 RMM: 9 -0.349470274286E+03 0.13078E-04 -0.19108E-05 2545 0.128E-02 3394 T= 6628. E= 0.69098772E+03 F= 0.63615782E+03 E0= 0.66611395E+03 EK= 0.54830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349667372732E+03 -0.19709E+00 -0.17662E-01 8784 0.242E+01 0.436E-01 RMM: 2 -0.349687079839E+03 -0.19707E-01 -0.10405E-01 5250 0.734E-01 0.143E+00 RMM: 3 -0.349673123057E+03 0.13957E-01 -0.11414E-02 5394 0.242E-01 0.308E-01 RMM: 4 -0.349674230703E+03 -0.11076E-02 -0.28923E-03 5261 0.129E-01 0.523E-01 RMM: 5 -0.349672625042E+03 0.16057E-02 -0.97827E-04 4604 0.825E-02 0.223E-01 RMM: 6 -0.349672323567E+03 0.30147E-03 -0.24549E-04 3897 0.404E-02 0.818E-02 RMM: 7 -0.349672418442E+03 -0.94874E-04 -0.14541E-04 3882 0.313E-02 0.147E-01 RMM: 8 -0.349672287717E+03 0.13072E-03 -0.73110E-05 3537 0.247E-02 0.510E-02 RMM: 9 -0.349672278040E+03 0.96769E-05 -0.18379E-05 2551 0.123E-02 3395 T= 6676. E= 0.69156015E+03 F= 0.63632998E+03 E0= 0.66629606E+03 EK= 0.55230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349862802315E+03 -0.19051E+00 -0.17139E-01 8628 0.243E+01 0.428E-01 RMM: 2 -0.349880835169E+03 -0.18033E-01 -0.99783E-02 5317 0.714E-01 0.136E+00 RMM: 3 -0.349868412690E+03 0.12422E-01 -0.11161E-02 5381 0.240E-01 0.362E-01 RMM: 4 -0.349868966578E+03 -0.55389E-03 -0.27969E-03 5210 0.126E-01 0.471E-01 RMM: 5 -0.349867820837E+03 0.11457E-02 -0.83942E-04 4601 0.747E-02 0.257E-01 RMM: 6 -0.349867395933E+03 0.42490E-03 -0.29627E-04 3908 0.452E-02 0.802E-02 RMM: 7 -0.349867508206E+03 -0.11227E-03 -0.15060E-04 3884 0.320E-02 0.154E-01 RMM: 8 -0.349867358683E+03 0.14952E-03 -0.72584E-05 3533 0.245E-02 0.442E-02 RMM: 9 -0.349867353212E+03 0.54715E-05 -0.19195E-05 2554 0.126E-02 3396 T= 6647. E= 0.69149944E+03 F= 0.63650693E+03 E0= 0.66648714E+03 EK= 0.54993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350022480679E+03 -0.15512E+00 -0.16843E-01 8736 0.242E+01 0.419E-01 RMM: 2 -0.350042115737E+03 -0.19635E-01 -0.91242E-02 5268 0.692E-01 0.148E+00 RMM: 3 -0.350027305925E+03 0.14810E-01 -0.10437E-02 5374 0.234E-01 0.312E-01 RMM: 4 -0.350027993128E+03 -0.68720E-03 -0.26673E-03 5199 0.124E-01 0.463E-01 RMM: 5 -0.350026811008E+03 0.11821E-02 -0.88117E-04 4608 0.778E-02 0.233E-01 RMM: 6 -0.350026479931E+03 0.33108E-03 -0.25747E-04 3894 0.415E-02 0.839E-02 RMM: 7 -0.350026584312E+03 -0.10438E-03 -0.15751E-04 3884 0.328E-02 0.153E-01 RMM: 8 -0.350026440693E+03 0.14362E-03 -0.75014E-05 3531 0.254E-02 0.455E-02 RMM: 9 -0.350026433785E+03 0.69082E-05 -0.15344E-05 2519 0.112E-02 3397 T= 6549. E= 0.69089375E+03 F= 0.63671974E+03 E0= 0.66671755E+03 EK= 0.54174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350144267661E+03 -0.11783E+00 -0.16612E-01 8676 0.240E+01 0.396E-01 RMM: 2 -0.350159408468E+03 -0.15141E-01 -0.81647E-02 5268 0.657E-01 0.129E+00 RMM: 3 -0.350148519008E+03 0.10889E-01 -0.92874E-03 5381 0.222E-01 0.318E-01 RMM: 4 -0.350149091388E+03 -0.57238E-03 -0.22365E-03 4965 0.113E-01 0.446E-01 RMM: 5 -0.350148073589E+03 0.10178E-02 -0.80012E-04 4601 0.728E-02 0.246E-01 RMM: 6 -0.350147704524E+03 0.36907E-03 -0.33851E-04 3932 0.482E-02 0.893E-02 RMM: 7 -0.350147826541E+03 -0.12202E-03 -0.14448E-04 3886 0.325E-02 0.162E-01 RMM: 8 -0.350147656845E+03 0.16970E-03 -0.69979E-05 3506 0.245E-02 0.392E-02 RMM: 9 -0.350147656624E+03 0.22103E-06 -0.17890E-05 2544 0.121E-02 3398 T= 6415. E= 0.69004449E+03 F= 0.63697158E+03 E0= 0.66698883E+03 EK= 0.53073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350236602898E+03 -0.88946E-01 -0.16279E-01 8484 0.237E+01 0.383E-01 RMM: 2 -0.350252306190E+03 -0.15703E-01 -0.73000E-02 5221 0.629E-01 0.135E+00 RMM: 3 -0.350240202301E+03 0.12104E-01 -0.84936E-03 5374 0.213E-01 0.272E-01 RMM: 4 -0.350240864826E+03 -0.66252E-03 -0.22529E-03 5058 0.115E-01 0.438E-01 RMM: 5 -0.350239800364E+03 0.10645E-02 -0.89592E-04 4608 0.808E-02 0.211E-01 RMM: 6 -0.350239546245E+03 0.25412E-03 -0.23491E-04 3886 0.394E-02 0.896E-02 RMM: 7 -0.350239601296E+03 -0.55050E-04 -0.12074E-04 3877 0.304E-02 0.129E-01 RMM: 8 -0.350239499061E+03 0.10223E-03 -0.49607E-05 3284 0.212E-02 0.403E-02 RMM: 9 -0.350239497138E+03 0.19225E-05 -0.13633E-05 2501 0.104E-02 3399 T= 6296. E= 0.68933602E+03 F= 0.63725415E+03 E0= 0.66729111E+03 EK= 0.52082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350308961784E+03 -0.69463E-01 -0.16094E-01 8388 0.236E+01 0.368E-01 RMM: 2 -0.350320350364E+03 -0.11389E-01 -0.64083E-02 5214 0.592E-01 0.112E+00 RMM: 3 -0.350311993821E+03 0.83565E-02 -0.75940E-03 5349 0.203E-01 0.284E-01 RMM: 4 -0.350312757603E+03 -0.76378E-03 -0.19520E-03 4871 0.108E-01 0.456E-01 RMM: 5 -0.350311565140E+03 0.11925E-02 -0.78330E-04 4594 0.735E-02 0.202E-01 RMM: 6 -0.350311351064E+03 0.21408E-03 -0.27514E-04 3901 0.433E-02 0.996E-02 RMM: 7 -0.350311432847E+03 -0.81783E-04 -0.11923E-04 3862 0.307E-02 0.149E-01 RMM: 8 -0.350311289910E+03 0.14294E-03 -0.57335E-05 3385 0.225E-02 0.360E-02 RMM: 9 -0.350311291458E+03 -0.15482E-05 -0.15019E-05 2518 0.110E-02 3400 T= 6229. E= 0.68909098E+03 F= 0.63755700E+03 E0= 0.66761241E+03 EK= 0.51534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350361536698E+03 -0.50247E-01 -0.16518E-01 8316 0.235E+01 0.359E-01 RMM: 2 -0.350371475930E+03 -0.99392E-02 -0.63004E-02 5075 0.594E-01 0.102E+00 RMM: 3 -0.350364666169E+03 0.68098E-02 -0.71752E-03 5355 0.191E-01 0.266E-01 RMM: 4 -0.350365567316E+03 -0.90115E-03 -0.20279E-03 5013 0.111E-01 0.470E-01 RMM: 5 -0.350364305497E+03 0.12618E-02 -0.84617E-04 4604 0.781E-02 0.201E-01 RMM: 6 -0.350364074380E+03 0.23112E-03 -0.22202E-04 3886 0.383E-02 0.845E-02 RMM: 7 -0.350364121810E+03 -0.47430E-04 -0.10430E-04 3751 0.286E-02 0.123E-01 RMM: 8 -0.350364030170E+03 0.91640E-04 -0.46678E-05 3256 0.206E-02 0.340E-02 RMM: 9 -0.350364034058E+03 -0.38877E-05 -0.14621E-05 2504 0.108E-02 3401 T= 6238. E= 0.68948018E+03 F= 0.63787714E+03 E0= 0.66794911E+03 EK= 0.51603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350387169945E+03 -0.23140E-01 -0.16581E-01 8340 0.236E+01 0.363E-01 RMM: 2 -0.350397355489E+03 -0.10186E-01 -0.56548E-02 5144 0.568E-01 0.109E+00 RMM: 3 -0.350389600151E+03 0.77553E-02 -0.68159E-03 5350 0.192E-01 0.264E-01 RMM: 4 -0.350390650142E+03 -0.10500E-02 -0.19409E-03 4894 0.108E-01 0.489E-01 RMM: 5 -0.350389236372E+03 0.14138E-02 -0.75831E-04 4596 0.727E-02 0.188E-01 RMM: 6 -0.350389045162E+03 0.19121E-03 -0.21808E-04 3893 0.380E-02 0.867E-02 RMM: 7 -0.350389101715E+03 -0.56553E-04 -0.95690E-05 3743 0.273E-02 0.128E-01 RMM: 8 -0.350388997713E+03 0.10400E-03 -0.47884E-05 3275 0.208E-02 0.314E-02 RMM: 9 -0.350389002811E+03 -0.50980E-05 -0.14179E-05 2505 0.106E-02 3402 T= 6318. E= 0.69048549E+03 F= 0.63822103E+03 E0= 0.66830706E+03 EK= 0.52264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350368599180E+03 0.20399E-01 -0.17335E-01 8220 0.238E+01 0.365E-01 RMM: 2 -0.350379928871E+03 -0.11330E-01 -0.59493E-02 5120 0.585E-01 0.114E+00 RMM: 3 -0.350371236964E+03 0.86919E-02 -0.69419E-03 5358 0.191E-01 0.245E-01 RMM: 4 -0.350372287310E+03 -0.10503E-02 -0.20509E-03 5001 0.111E-01 0.482E-01 RMM: 5 -0.350370937979E+03 0.13493E-02 -0.81749E-04 4601 0.772E-02 0.188E-01 RMM: 6 -0.350370720775E+03 0.21720E-03 -0.19172E-04 3886 0.356E-02 0.705E-02 RMM: 7 -0.350370770366E+03 -0.49591E-04 -0.84922E-05 3615 0.256E-02 0.114E-01 RMM: 8 -0.350370690800E+03 0.79566E-04 -0.39272E-05 3142 0.194E-02 0.348E-02 RMM: 9 -0.350370692421E+03 -0.16215E-05 -0.12531E-05 2490 0.988E-03 3403 T= 6443. E= 0.69190400E+03 F= 0.63860246E+03 E0= 0.66869978E+03 EK= 0.53302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350291243663E+03 0.79447E-01 -0.17607E-01 8100 0.241E+01 0.353E-01 RMM: 2 -0.350299252917E+03 -0.80093E-02 -0.54614E-02 5197 0.554E-01 0.930E-01 RMM: 3 -0.350293716646E+03 0.55363E-02 -0.59625E-03 5344 0.177E-01 0.275E-01 RMM: 4 -0.350294893043E+03 -0.11764E-02 -0.18097E-03 4806 0.105E-01 0.514E-01 RMM: 5 -0.350293274141E+03 0.16189E-02 -0.74657E-04 4571 0.717E-02 0.156E-01 RMM: 6 -0.350293150758E+03 0.12338E-03 -0.18096E-04 3873 0.343E-02 0.841E-02 RMM: 7 -0.350293192471E+03 -0.41714E-04 -0.80324E-05 3613 0.250E-02 0.116E-01 RMM: 8 -0.350293105750E+03 0.86721E-04 -0.42679E-05 3181 0.200E-02 0.302E-02 RMM: 9 -0.350293111130E+03 -0.53803E-05 -0.14473E-05 2500 0.107E-02 3404 T= 6571. E= 0.69339407E+03 F= 0.63903676E+03 E0= 0.66914223E+03 EK= 0.54357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350146513099E+03 0.14659E+00 -0.17773E-01 7824 0.243E+01 0.348E-01 RMM: 2 -0.350155140660E+03 -0.86276E-02 -0.59287E-02 5175 0.574E-01 0.945E-01 RMM: 3 -0.350149391419E+03 0.57492E-02 -0.63208E-03 5353 0.179E-01 0.271E-01 RMM: 4 -0.350150362190E+03 -0.97077E-03 -0.18690E-03 4858 0.106E-01 0.479E-01 RMM: 5 -0.350148979346E+03 0.13828E-02 -0.77405E-04 4597 0.745E-02 0.158E-01 RMM: 6 -0.350148834298E+03 0.14505E-03 -0.15144E-04 3874 0.314E-02 0.729E-02 RMM: 7 -0.350148877121E+03 -0.42823E-04 -0.76322E-05 3561 0.241E-02 0.112E-01 RMM: 8 -0.350148801088E+03 0.76033E-04 -0.38976E-05 3129 0.195E-02 0.318E-02 RMM: 9 -0.350148804508E+03 -0.34197E-05 -0.12408E-05 2488 0.980E-03 3405 T= 6654. E= 0.69457926E+03 F= 0.63953198E+03 E0= 0.66964261E+03 EK= 0.55047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349943236340E+03 0.20556E+00 -0.17844E-01 7632 0.243E+01 0.351E-01 RMM: 2 -0.349952668117E+03 -0.94318E-02 -0.61943E-02 5180 0.588E-01 0.988E-01 RMM: 3 -0.349946344988E+03 0.63231E-02 -0.65244E-03 5345 0.182E-01 0.270E-01 RMM: 4 -0.349947296840E+03 -0.95185E-03 -0.18537E-03 4815 0.105E-01 0.475E-01 RMM: 5 -0.349945966897E+03 0.13299E-02 -0.74515E-04 4605 0.723E-02 0.179E-01 RMM: 6 -0.349945787711E+03 0.17919E-03 -0.19557E-04 3878 0.361E-02 0.777E-02 RMM: 7 -0.349945846795E+03 -0.59084E-04 -0.86352E-05 3652 0.257E-02 0.123E-01 RMM: 8 -0.349945751950E+03 0.94845E-04 -0.46314E-05 3253 0.208E-02 0.342E-02 RMM: 9 -0.349945752738E+03 -0.78847E-06 -0.13110E-05 2497 0.102E-02 3406 T= 6662. E= 0.69519591E+03 F= 0.64008166E+03 E0= 0.67019462E+03 EK= 0.55114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349707198183E+03 0.23855E+00 -0.18074E-01 7764 0.243E+01 0.341E-01 RMM: 2 -0.349716863544E+03 -0.96654E-02 -0.62796E-02 5111 0.594E-01 0.979E-01 RMM: 3 -0.349710465457E+03 0.63981E-02 -0.68988E-03 5366 0.187E-01 0.249E-01 RMM: 4 -0.349711426687E+03 -0.96123E-03 -0.18015E-03 4857 0.104E-01 0.466E-01 RMM: 5 -0.349710131778E+03 0.12949E-02 -0.73312E-04 4606 0.725E-02 0.168E-01 RMM: 6 -0.349709972575E+03 0.15920E-03 -0.17054E-04 3872 0.335E-02 0.757E-02 RMM: 7 -0.349710027880E+03 -0.55304E-04 -0.87395E-05 3650 0.260E-02 0.121E-01 RMM: 8 -0.349709937959E+03 0.89921E-04 -0.43676E-05 3201 0.203E-02 0.316E-02 RMM: 9 -0.349709941710E+03 -0.37510E-05 -0.12896E-05 2487 0.101E-02 3407 T= 6594. E= 0.69521123E+03 F= 0.64066170E+03 E0= 0.67077457E+03 EK= 0.54550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349477185109E+03 0.23275E+00 -0.18406E-01 7944 0.240E+01 0.357E-01 RMM: 2 -0.349490031635E+03 -0.12847E-01 -0.65539E-02 5081 0.620E-01 0.120E+00 RMM: 3 -0.349480674250E+03 0.93574E-02 -0.79483E-03 5360 0.204E-01 0.275E-01 RMM: 4 -0.349481277027E+03 -0.60278E-03 -0.19500E-03 4900 0.107E-01 0.419E-01 RMM: 5 -0.349480382016E+03 0.89501E-03 -0.72288E-04 4604 0.711E-02 0.219E-01 RMM: 6 -0.349480091310E+03 0.29071E-03 -0.22675E-04 3885 0.394E-02 0.739E-02 RMM: 7 -0.349480160785E+03 -0.69476E-04 -0.10763E-04 3817 0.286E-02 0.127E-01 RMM: 8 -0.349480061302E+03 0.99484E-04 -0.52302E-05 3329 0.219E-02 0.378E-02 RMM: 9 -0.349480058660E+03 0.26412E-05 -0.12398E-05 2498 0.101E-02 3408 T= 6479. E= 0.69483208E+03 F= 0.64123498E+03 E0= 0.67134625E+03 EK= 0.53597E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349293498881E+03 0.18656E+00 -0.18287E-01 8016 0.238E+01 0.347E-01 RMM: 2 -0.349305942677E+03 -0.12444E-01 -0.66716E-02 5022 0.625E-01 0.116E+00 RMM: 3 -0.349297190623E+03 0.87521E-02 -0.82036E-03 5395 0.206E-01 0.263E-01 RMM: 4 -0.349297947914E+03 -0.75729E-03 -0.18467E-03 4920 0.104E-01 0.439E-01 RMM: 5 -0.349296863029E+03 0.10849E-02 -0.73150E-04 4609 0.728E-02 0.189E-01 RMM: 6 -0.349296654836E+03 0.20819E-03 -0.20513E-04 3876 0.371E-02 0.788E-02 RMM: 7 -0.349296723309E+03 -0.68473E-04 -0.10802E-04 3832 0.287E-02 0.130E-01 RMM: 8 -0.349296619201E+03 0.10411E-03 -0.52858E-05 3311 0.220E-02 0.359E-02 RMM: 9 -0.349296619617E+03 -0.41649E-06 -0.12762E-05 2498 0.103E-02 3409 T= 6363. E= 0.69439722E+03 F= 0.64176169E+03 E0= 0.67187042E+03 EK= 0.52636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349184281841E+03 0.11234E+00 -0.17698E-01 8124 0.237E+01 0.354E-01 RMM: 2 -0.349197290328E+03 -0.13008E-01 -0.65699E-02 5056 0.625E-01 0.121E+00 RMM: 3 -0.349187931343E+03 0.93590E-02 -0.81591E-03 5382 0.206E-01 0.281E-01 RMM: 4 -0.349188403593E+03 -0.47225E-03 -0.19199E-03 4899 0.105E-01 0.401E-01 RMM: 5 -0.349187621086E+03 0.78251E-03 -0.72295E-04 4608 0.714E-02 0.223E-01 RMM: 6 -0.349187320677E+03 0.30041E-03 -0.23576E-04 3888 0.403E-02 0.761E-02 RMM: 7 -0.349187385742E+03 -0.65065E-04 -0.11362E-04 3849 0.294E-02 0.125E-01 RMM: 8 -0.349187288038E+03 0.97703E-04 -0.54873E-05 3350 0.223E-02 0.363E-02 RMM: 9 -0.349187286324E+03 0.17141E-05 -0.13350E-05 2499 0.107E-02 3410 T= 6288. E= 0.69423070E+03 F= 0.64221379E+03 E0= 0.67231997E+03 EK= 0.52017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349152694757E+03 0.34593E-01 -0.17648E-01 8160 0.236E+01 0.341E-01 RMM: 2 -0.349164320845E+03 -0.11626E-01 -0.63251E-02 5063 0.604E-01 0.112E+00 RMM: 3 -0.349156124716E+03 0.81961E-02 -0.74985E-03 5385 0.196E-01 0.256E-01 RMM: 4 -0.349156913505E+03 -0.78879E-03 -0.18704E-03 4883 0.104E-01 0.443E-01 RMM: 5 -0.349155774110E+03 0.11394E-02 -0.74660E-04 4608 0.738E-02 0.168E-01 RMM: 6 -0.349155615173E+03 0.15894E-03 -0.16856E-04 3876 0.334E-02 0.765E-02 RMM: 7 -0.349155668714E+03 -0.53541E-04 -0.90226E-05 3734 0.263E-02 0.120E-01 RMM: 8 -0.349155580421E+03 0.88293E-04 -0.44679E-05 3229 0.204E-02 0.334E-02 RMM: 9 -0.349155581474E+03 -0.10532E-05 -0.11486E-05 2484 0.964E-03 3411 T= 6279. E= 0.69453226E+03 F= 0.64258654E+03 E0= 0.67269014E+03 EK= 0.51946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349175805407E+03 -0.20225E-01 -0.17429E-01 8256 0.237E+01 0.348E-01 RMM: 2 -0.349186644801E+03 -0.10839E-01 -0.68154E-02 4985 0.626E-01 0.104E+00 RMM: 3 -0.349179734609E+03 0.69102E-02 -0.80955E-03 5382 0.200E-01 0.272E-01 RMM: 4 -0.349180412607E+03 -0.67800E-03 -0.18943E-03 4936 0.105E-01 0.434E-01 RMM: 5 -0.349179432655E+03 0.97995E-03 -0.72483E-04 4604 0.708E-02 0.213E-01 RMM: 6 -0.349179155080E+03 0.27757E-03 -0.21882E-04 3884 0.386E-02 0.707E-02 RMM: 7 -0.349179217269E+03 -0.62189E-04 -0.98663E-05 3761 0.270E-02 0.121E-01 RMM: 8 -0.349179128627E+03 0.88642E-04 -0.47798E-05 3274 0.209E-02 0.384E-02 RMM: 9 -0.349179124594E+03 0.40330E-05 -0.13494E-05 2495 0.107E-02 3412 T= 6337. E= 0.69532724E+03 F= 0.64290076E+03 E0= 0.67300178E+03 EK= 0.52426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349210738840E+03 -0.31610E-01 -0.17520E-01 8040 0.239E+01 0.338E-01 RMM: 2 -0.349221763172E+03 -0.11024E-01 -0.68329E-02 4974 0.629E-01 0.103E+00 RMM: 3 -0.349214809110E+03 0.69541E-02 -0.81006E-03 5398 0.198E-01 0.259E-01 RMM: 4 -0.349215725954E+03 -0.91684E-03 -0.19474E-03 4974 0.107E-01 0.463E-01 RMM: 5 -0.349214397817E+03 0.13281E-02 -0.77868E-04 4604 0.750E-02 0.139E-01 RMM: 6 -0.349214298447E+03 0.99371E-04 -0.14088E-04 3874 0.299E-02 0.757E-02 RMM: 7 -0.349214327984E+03 -0.29538E-04 -0.68854E-05 3497 0.231E-02 0.104E-01 RMM: 8 -0.349214262194E+03 0.65791E-04 -0.36083E-05 3065 0.188E-02 0.285E-02 RMM: 9 -0.349214266861E+03 -0.46672E-05 -0.11463E-05 2473 0.944E-03 3413 T= 6439. E= 0.69646669E+03 F= 0.64319882E+03 E0= 0.67329671E+03 EK= 0.53268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349205476280E+03 0.87859E-02 -0.17198E-01 7956 0.241E+01 0.348E-01 RMM: 2 -0.349216245482E+03 -0.10769E-01 -0.67873E-02 5069 0.628E-01 0.105E+00 RMM: 3 -0.349209347137E+03 0.68983E-02 -0.78838E-03 5398 0.196E-01 0.273E-01 RMM: 4 -0.349210047778E+03 -0.70064E-03 -0.19625E-03 4939 0.108E-01 0.436E-01 RMM: 5 -0.349208978306E+03 0.10695E-02 -0.71850E-04 4593 0.701E-02 0.189E-01 RMM: 6 -0.349208765508E+03 0.21280E-03 -0.19133E-04 3888 0.360E-02 0.706E-02 RMM: 7 -0.349208828322E+03 -0.62815E-04 -0.86324E-05 3665 0.251E-02 0.121E-01 RMM: 8 -0.349208739089E+03 0.89233E-04 -0.43020E-05 3182 0.201E-02 0.403E-02 RMM: 9 -0.349208733299E+03 0.57901E-05 -0.13130E-05 2493 0.104E-02 3414 T= 6544. E= 0.69767257E+03 F= 0.64353246E+03 E0= 0.67362619E+03 EK= 0.54140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349114784252E+03 0.93955E-01 -0.17119E-01 7704 0.243E+01 0.343E-01 RMM: 2 -0.349126335292E+03 -0.11551E-01 -0.63135E-02 5114 0.597E-01 0.112E+00 RMM: 3 -0.349118244269E+03 0.80910E-02 -0.75162E-03 5367 0.194E-01 0.249E-01 RMM: 4 -0.349119234311E+03 -0.99004E-03 -0.18321E-03 4896 0.104E-01 0.465E-01 RMM: 5 -0.349117900140E+03 0.13342E-02 -0.69468E-04 4603 0.706E-02 0.154E-01 RMM: 6 -0.349117769734E+03 0.13041E-03 -0.15418E-04 3878 0.312E-02 0.766E-02 RMM: 7 -0.349117813522E+03 -0.43787E-04 -0.83732E-05 3628 0.250E-02 0.115E-01 RMM: 8 -0.349117733199E+03 0.80323E-04 -0.43839E-05 3211 0.202E-02 0.311E-02 RMM: 9 -0.349117735867E+03 -0.26682E-05 -0.12204E-05 2484 0.978E-03 3415 T= 6611. E= 0.69863668E+03 F= 0.64394689E+03 E0= 0.67403524E+03 EK= 0.54690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348914826077E+03 0.20291E+00 -0.17317E-01 7644 0.244E+01 0.337E-01 RMM: 2 -0.348926737261E+03 -0.11911E-01 -0.77873E-02 5028 0.663E-01 0.105E+00 RMM: 3 -0.348919762283E+03 0.69750E-02 -0.89946E-03 5420 0.201E-01 0.251E-01 RMM: 4 -0.348920397823E+03 -0.63554E-03 -0.18678E-03 4977 0.105E-01 0.413E-01 RMM: 5 -0.348919439483E+03 0.95834E-03 -0.65248E-04 4601 0.669E-02 0.188E-01 RMM: 6 -0.348919234463E+03 0.20502E-03 -0.18378E-04 3883 0.352E-02 0.749E-02 RMM: 7 -0.348919294255E+03 -0.59793E-04 -0.96915E-05 3731 0.267E-02 0.122E-01 RMM: 8 -0.348919201956E+03 0.92300E-04 -0.47858E-05 3251 0.210E-02 0.355E-02 RMM: 9 -0.348919199398E+03 0.25576E-05 -0.12746E-05 2488 0.102E-02 3416 T= 6611. E= 0.69915338E+03 F= 0.64446531E+03 E0= 0.67454708E+03 EK= 0.54688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348620989868E+03 0.29821E+00 -0.16908E-01 7620 0.243E+01 0.330E-01 RMM: 2 -0.348634019289E+03 -0.13029E-01 -0.71734E-02 5110 0.624E-01 0.115E+00 RMM: 3 -0.348625396148E+03 0.86231E-02 -0.80896E-03 5384 0.195E-01 0.237E-01 RMM: 4 -0.348626136959E+03 -0.74081E-03 -0.17461E-03 4879 0.101E-01 0.420E-01 RMM: 5 -0.348625048719E+03 0.10882E-02 -0.66957E-04 4607 0.696E-02 0.151E-01 RMM: 6 -0.348624937401E+03 0.11132E-03 -0.16145E-04 3876 0.320E-02 0.873E-02 RMM: 7 -0.348624971682E+03 -0.34282E-04 -0.93035E-05 3743 0.267E-02 0.113E-01 RMM: 8 -0.348624891735E+03 0.79948E-04 -0.44887E-05 3223 0.204E-02 0.341E-02 RMM: 9 -0.348624891301E+03 0.43401E-06 -0.11220E-05 2481 0.941E-03 3417 T= 6544. E= 0.69921742E+03 F= 0.64507731E+03 E0= 0.67515193E+03 EK= 0.54140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348273693520E+03 0.35120E+00 -0.16227E-01 7776 0.241E+01 0.307E-01 RMM: 2 -0.348282543685E+03 -0.88502E-02 -0.62198E-02 5186 0.587E-01 0.889E-01 RMM: 3 -0.348277440259E+03 0.51034E-02 -0.63074E-03 5394 0.172E-01 0.234E-01 RMM: 4 -0.348278013104E+03 -0.57284E-03 -0.14919E-03 4717 0.955E-02 0.393E-01 RMM: 5 -0.348277154147E+03 0.85896E-03 -0.61213E-04 4583 0.651E-02 0.173E-01 RMM: 6 -0.348276999462E+03 0.15468E-03 -0.20367E-04 3901 0.374E-02 0.894E-02 RMM: 7 -0.348277055667E+03 -0.56205E-04 -0.99887E-05 3799 0.280E-02 0.128E-01 RMM: 8 -0.348276951241E+03 0.10443E-03 -0.48899E-05 3266 0.212E-02 0.348E-02 RMM: 9 -0.348276949903E+03 0.13379E-05 -0.13064E-05 2487 0.103E-02 3418 T= 6441. E= 0.69902498E+03 F= 0.64574180E+03 E0= 0.67580927E+03 EK= 0.53283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347933561479E+03 0.34339E+00 -0.15826E-01 7560 0.238E+01 0.305E-01 RMM: 2 -0.347944819960E+03 -0.11258E-01 -0.53306E-02 5268 0.543E-01 0.111E+00 RMM: 3 -0.347936528774E+03 0.82912E-02 -0.56189E-03 5360 0.170E-01 0.216E-01 RMM: 4 -0.347937127117E+03 -0.59834E-03 -0.14795E-03 4687 0.946E-02 0.385E-01 RMM: 5 -0.347936248626E+03 0.87849E-03 -0.64576E-04 4605 0.694E-02 0.152E-01 RMM: 6 -0.347936150827E+03 0.97799E-04 -0.16709E-04 3878 0.328E-02 0.967E-02 RMM: 7 -0.347936156218E+03 -0.53905E-05 -0.85480E-05 3667 0.270E-02 3419 T= 6343. E= 0.69887462E+03 F= 0.64639831E+03 E0= 0.67645875E+03 EK= 0.52476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347661619636E+03 0.27453E+00 -0.15631E-01 7680 0.236E+01 0.314E-01 RMM: 2 -0.347668809870E+03 -0.71902E-02 -0.53733E-02 5220 0.549E-01 0.812E-01 RMM: 3 -0.347664690217E+03 0.41197E-02 -0.52900E-03 5368 0.159E-01 0.241E-01 RMM: 4 -0.347665365181E+03 -0.67496E-03 -0.15159E-03 4723 0.978E-02 0.419E-01 RMM: 5 -0.347664343753E+03 0.10214E-02 -0.72595E-04 4604 0.720E-02 0.166E-01 RMM: 6 -0.347664247062E+03 0.96691E-04 -0.23659E-04 3896 0.395E-02 0.118E-01 RMM: 7 -0.347664256967E+03 -0.99049E-05 -0.11106E-04 3847 0.311E-02 3420 T= 6292. E= 0.69903551E+03 F= 0.64698456E+03 E0= 0.67704030E+03 EK= 0.52051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347505282231E+03 0.15896E+00 -0.15399E-01 7884 0.236E+01 0.316E-01 RMM: 2 -0.347515551712E+03 -0.10269E-01 -0.54062E-02 5218 0.564E-01 0.107E+00 RMM: 3 -0.347508376135E+03 0.71756E-02 -0.62417E-03 5338 0.180E-01 0.275E-01 RMM: 4 -0.347508444541E+03 -0.68406E-04 -0.14217E-03 4698 0.913E-02 0.308E-01 RMM: 5 -0.347508118843E+03 0.32570E-03 -0.66484E-04 4577 0.696E-02 0.234E-01 RMM: 6 -0.347507778333E+03 0.34051E-03 -0.27464E-04 3913 0.437E-02 0.685E-02 RMM: 7 -0.347507857747E+03 -0.79414E-04 -0.10357E-04 3755 0.285E-02 0.129E-01 RMM: 8 -0.347507760744E+03 0.97003E-04 -0.42854E-05 3198 0.205E-02 0.467E-02 RMM: 9 -0.347507751968E+03 0.87761E-05 -0.13626E-05 2497 0.105E-02 3421 T= 6309. E= 0.69964642E+03 F= 0.64745291E+03 E0= 0.67750418E+03 EK= 0.52194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347486771898E+03 0.20989E-01 -0.15568E-01 7848 0.237E+01 0.276E-01 RMM: 2 -0.347494578178E+03 -0.78063E-02 -0.50924E-02 5178 0.532E-01 0.857E-01 RMM: 3 -0.347489764843E+03 0.48133E-02 -0.53983E-03 5334 0.164E-01 0.190E-01 RMM: 4 -0.347490452414E+03 -0.68757E-03 -0.10921E-03 4623 0.796E-02 0.385E-01 RMM: 5 -0.347489527125E+03 0.92529E-03 -0.46672E-04 4495 0.581E-02 0.121E-01 RMM: 6 -0.347489467177E+03 0.59948E-04 -0.14823E-04 3874 0.316E-02 0.796E-02 RMM: 7 -0.347489485999E+03 -0.18821E-04 -0.49973E-05 3264 0.211E-02 3422 T= 6393. E= 0.70066591E+03 F= 0.64777927E+03 E0= 0.67782790E+03 EK= 0.52887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347602297136E+03 -0.11283E+00 -0.15432E-01 8040 0.239E+01 0.326E-01 RMM: 2 -0.347609765969E+03 -0.74688E-02 -0.49184E-02 5264 0.527E-01 0.886E-01 RMM: 3 -0.347604810764E+03 0.49552E-02 -0.50382E-03 5343 0.159E-01 0.253E-01 RMM: 4 -0.347605571997E+03 -0.76123E-03 -0.15419E-03 4702 0.966E-02 0.435E-01 RMM: 5 -0.347604483107E+03 0.10889E-02 -0.70624E-04 4577 0.708E-02 0.184E-01 RMM: 6 -0.347604293426E+03 0.18968E-03 -0.20732E-04 3886 0.371E-02 0.790E-02 RMM: 7 -0.347604356534E+03 -0.63107E-04 -0.91999E-05 3679 0.263E-02 0.128E-01 RMM: 8 -0.347604256621E+03 0.99912E-04 -0.46643E-05 3249 0.210E-02 0.368E-02 RMM: 9 -0.347604257924E+03 -0.13028E-05 -0.16218E-05 2510 0.114E-02 3423 T= 6516. E= 0.70187287E+03 F= 0.64796807E+03 E0= 0.67801497E+03 EK= 0.53905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347820283783E+03 -0.21603E+00 -0.15381E-01 7884 0.242E+01 0.283E-01 RMM: 2 -0.347826898560E+03 -0.66148E-02 -0.49998E-02 5260 0.528E-01 0.778E-01 RMM: 3 -0.347823120655E+03 0.37779E-02 -0.47244E-03 5344 0.151E-01 0.215E-01 RMM: 4 -0.347823662494E+03 -0.54184E-03 -0.12296E-03 4635 0.858E-02 0.365E-01 RMM: 5 -0.347822841284E+03 0.82121E-03 -0.50467E-04 4439 0.590E-02 0.130E-01 RMM: 6 -0.347822754227E+03 0.87057E-04 -0.13214E-04 3866 0.302E-02 0.689E-02 RMM: 7 -0.347822790603E+03 -0.36375E-04 -0.46512E-05 3214 0.194E-02 0.102E-01 RMM: 8 -0.347822727159E+03 0.63444E-04 -0.29024E-05 2903 0.173E-02 0.253E-02 RMM: 9 -0.347822729347E+03 -0.21878E-05 -0.84109E-06 2456 0.817E-03 3424 T= 6633. E= 0.70291895E+03 F= 0.64804874E+03 E0= 0.67809581E+03 EK= 0.54870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348098592872E+03 -0.27587E+00 -0.15869E-01 7656 0.244E+01 0.314E-01 RMM: 2 -0.348107424882E+03 -0.88320E-02 -0.53481E-02 5290 0.545E-01 0.960E-01 RMM: 3 -0.348101428322E+03 0.59966E-02 -0.53521E-03 5358 0.162E-01 0.217E-01 RMM: 4 -0.348102237448E+03 -0.80913E-03 -0.14830E-03 4657 0.946E-02 0.424E-01 RMM: 5 -0.348101168932E+03 0.10685E-02 -0.58827E-04 4500 0.636E-02 0.156E-01 RMM: 6 -0.348101034167E+03 0.13476E-03 -0.14478E-04 3858 0.307E-02 0.701E-02 RMM: 7 -0.348101073495E+03 -0.39328E-04 -0.70249E-05 3498 0.231E-02 0.109E-01 RMM: 8 -0.348100999123E+03 0.74371E-04 -0.37952E-05 3104 0.193E-02 0.246E-02 RMM: 9 -0.348101007932E+03 -0.88089E-05 -0.12927E-05 2492 0.993E-03 3425 T= 6695. E= 0.70345079E+03 F= 0.64806618E+03 E0= 0.67811591E+03 EK= 0.55385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348394976811E+03 -0.29398E+00 -0.16251E-01 7716 0.245E+01 0.308E-01 RMM: 2 -0.348402980026E+03 -0.80032E-02 -0.55910E-02 5303 0.562E-01 0.877E-01 RMM: 3 -0.348398086687E+03 0.48933E-02 -0.54382E-03 5349 0.163E-01 0.228E-01 RMM: 4 -0.348398672581E+03 -0.58589E-03 -0.14420E-03 4642 0.930E-02 0.386E-01 RMM: 5 -0.348397760127E+03 0.91245E-03 -0.55918E-04 4523 0.615E-02 0.145E-01 RMM: 6 -0.348397663698E+03 0.96429E-04 -0.15037E-04 3870 0.320E-02 0.843E-02 RMM: 7 -0.348397710194E+03 -0.46496E-04 -0.73421E-05 3535 0.235E-02 0.120E-01 RMM: 8 -0.348397620072E+03 0.90122E-04 -0.42818E-05 3173 0.201E-02 0.271E-02 RMM: 9 -0.348397624110E+03 -0.40382E-05 -0.11012E-05 2478 0.924E-03 3426 T= 6674. E= 0.70327178E+03 F= 0.64806353E+03 E0= 0.67811926E+03 EK= 0.55208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348685442050E+03 -0.28782E+00 -0.16314E-01 7704 0.244E+01 0.312E-01 RMM: 2 -0.348695114193E+03 -0.96721E-02 -0.57527E-02 5330 0.570E-01 0.100E+00 RMM: 3 -0.348688636021E+03 0.64782E-02 -0.58095E-03 5396 0.168E-01 0.218E-01 RMM: 4 -0.348689307153E+03 -0.67113E-03 -0.14376E-03 4652 0.925E-02 0.402E-01 RMM: 5 -0.348688348511E+03 0.95864E-03 -0.57043E-04 4511 0.626E-02 0.154E-01 RMM: 6 -0.348688233860E+03 0.11465E-03 -0.15623E-04 3871 0.322E-02 0.842E-02 RMM: 7 -0.348688279900E+03 -0.46040E-04 -0.86571E-05 3640 0.253E-02 0.120E-01 RMM: 8 -0.348688188883E+03 0.91017E-04 -0.48141E-05 3248 0.213E-02 0.288E-02 RMM: 9 -0.348688192559E+03 -0.36766E-05 -0.12053E-05 2487 0.968E-03 3427 T= 6574. E= 0.70245072E+03 F= 0.64806697E+03 E0= 0.67813389E+03 EK= 0.54384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348969695324E+03 -0.28151E+00 -0.16117E-01 7704 0.243E+01 0.314E-01 RMM: 2 -0.348979675874E+03 -0.99806E-02 -0.59231E-02 5345 0.581E-01 0.101E+00 RMM: 3 -0.348973011291E+03 0.66646E-02 -0.60785E-03 5401 0.174E-01 0.223E-01 RMM: 4 -0.348973415087E+03 -0.40380E-03 -0.14139E-03 4632 0.915E-02 0.351E-01 RMM: 5 -0.348972680376E+03 0.73471E-03 -0.54546E-04 4562 0.620E-02 0.151E-01 RMM: 6 -0.348972582992E+03 0.97384E-04 -0.17850E-04 3890 0.349E-02 0.969E-02 RMM: 7 -0.348972636588E+03 -0.53596E-04 -0.90481E-05 3687 0.264E-02 0.134E-01 RMM: 8 -0.348972524513E+03 0.11208E-03 -0.50176E-05 3287 0.213E-02 0.311E-02 RMM: 9 -0.348972526370E+03 -0.18567E-05 -0.11770E-05 2483 0.958E-03 3428 T= 6433. E= 0.70129883E+03 F= 0.64807796E+03 E0= 0.67816213E+03 EK= 0.53221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349270232325E+03 -0.29771E+00 -0.15956E-01 7560 0.240E+01 0.313E-01 RMM: 2 -0.349281900378E+03 -0.11668E-01 -0.61554E-02 5338 0.587E-01 0.111E+00 RMM: 3 -0.349273791460E+03 0.81089E-02 -0.65187E-03 5414 0.181E-01 0.240E-01 RMM: 4 -0.349274085236E+03 -0.29378E-03 -0.13985E-03 4636 0.895E-02 0.338E-01 RMM: 5 -0.349273513095E+03 0.57214E-03 -0.58295E-04 4559 0.646E-02 0.194E-01 RMM: 6 -0.349273309233E+03 0.20386E-03 -0.19261E-04 3886 0.360E-02 0.861E-02 RMM: 7 -0.349273378174E+03 -0.68941E-04 -0.12239E-04 3860 0.300E-02 0.134E-01 RMM: 8 -0.349273264980E+03 0.11319E-03 -0.60464E-05 3397 0.233E-02 0.321E-02 RMM: 9 -0.349273266781E+03 -0.18013E-05 -0.13340E-05 2495 0.103E-02 3429 T= 6304. E= 0.70022742E+03 F= 0.64807419E+03 E0= 0.67818346E+03 EK= 0.52153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349623160987E+03 -0.34990E+00 -0.16259E-01 7752 0.238E+01 0.308E-01 RMM: 2 -0.349634823712E+03 -0.11663E-01 -0.61590E-02 5353 0.586E-01 0.111E+00 RMM: 3 -0.349626709412E+03 0.81143E-02 -0.63323E-03 5427 0.177E-01 0.215E-01 RMM: 4 -0.349627013053E+03 -0.30364E-03 -0.13676E-03 4626 0.894E-02 0.328E-01 RMM: 5 -0.349626370173E+03 0.64288E-03 -0.57540E-04 4585 0.650E-02 0.140E-01 RMM: 6 -0.349626320969E+03 0.49204E-04 -0.17528E-04 3888 0.343E-02 0.114E-01 RMM: 7 -0.349626346040E+03 -0.25071E-04 -0.10075E-04 3752 0.285E-02 0.130E-01 RMM: 8 -0.349626239468E+03 0.10657E-03 -0.52956E-05 3317 0.217E-02 0.313E-02 RMM: 9 -0.349626242070E+03 -0.26022E-05 -0.11881E-05 2486 0.972E-03 3430 T= 6233. E= 0.69958608E+03 F= 0.64801910E+03 E0= 0.67816151E+03 EK= 0.51567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350067454105E+03 -0.44121E+00 -0.16833E-01 7776 0.236E+01 0.299E-01 RMM: 2 -0.350077546956E+03 -0.10093E-01 -0.62492E-02 5355 0.572E-01 0.977E-01 RMM: 3 -0.350071195623E+03 0.63513E-02 -0.59807E-03 5383 0.171E-01 0.238E-01 RMM: 4 -0.350071446979E+03 -0.25136E-03 -0.12617E-03 4614 0.853E-02 0.326E-01 RMM: 5 -0.350070922696E+03 0.52428E-03 -0.58148E-04 4573 0.651E-02 0.191E-01 RMM: 6 -0.350070729274E+03 0.19342E-03 -0.19256E-04 3892 0.359E-02 0.865E-02 RMM: 7 -0.350070800153E+03 -0.70878E-04 -0.11672E-04 3838 0.297E-02 0.136E-01 RMM: 8 -0.350070685801E+03 0.11435E-03 -0.59335E-05 3407 0.231E-02 0.335E-02 RMM: 9 -0.350070686735E+03 -0.93375E-06 -0.13711E-05 2498 0.106E-02 3431 T= 6247. E= 0.69955370E+03 F= 0.64787192E+03 E0= 0.67805592E+03 EK= 0.51682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350631785754E+03 -0.56110E+00 -0.17443E-01 7800 0.237E+01 0.288E-01 RMM: 2 -0.350641675943E+03 -0.98902E-02 -0.65235E-02 5302 0.580E-01 0.930E-01 RMM: 3 -0.350635801867E+03 0.58741E-02 -0.58994E-03 5480 0.164E-01 0.204E-01 RMM: 4 -0.350636253017E+03 -0.45115E-03 -0.13200E-03 4625 0.884E-02 0.353E-01 RMM: 5 -0.350635497149E+03 0.75587E-03 -0.56007E-04 4582 0.636E-02 0.121E-01 RMM: 6 -0.350635472704E+03 0.24445E-04 -0.14388E-04 3879 0.306E-02 0.109E-01 RMM: 7 -0.350635465431E+03 0.72731E-05 -0.77664E-05 3644 0.258E-02 3432 T= 6345. E= 0.70009197E+03 F= 0.64760206E+03 E0= 0.67783459E+03 EK= 0.52490E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351320227337E+03 -0.68475E+00 -0.17659E-01 8016 0.238E+01 0.315E-01 RMM: 2 -0.351329050581E+03 -0.88232E-02 -0.66148E-02 5305 0.571E-01 0.853E-01 RMM: 3 -0.351324173692E+03 0.48769E-02 -0.57405E-03 5406 0.162E-01 0.242E-01 RMM: 4 -0.351324877062E+03 -0.70337E-03 -0.15886E-03 4663 0.982E-02 0.421E-01 RMM: 5 -0.351323798823E+03 0.10782E-02 -0.71085E-04 4594 0.700E-02 0.148E-01 RMM: 6 -0.351323718993E+03 0.79830E-04 -0.16248E-04 3876 0.323E-02 0.103E-01 RMM: 7 -0.351323736354E+03 -0.17362E-04 -0.10239E-04 3855 0.288E-02 3433 T= 6496. E= 0.70094528E+03 F= 0.64720511E+03 E0= 0.67749140E+03 EK= 0.53740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352098081302E+03 -0.77436E+00 -0.18250E-01 8028 0.240E+01 0.294E-01 RMM: 2 -0.352107977605E+03 -0.98963E-02 -0.79831E-02 5158 0.629E-01 0.815E-01 RMM: 3 -0.352103364218E+03 0.46134E-02 -0.75329E-03 5469 0.181E-01 0.234E-01 RMM: 4 -0.352103904390E+03 -0.54017E-03 -0.14476E-03 4722 0.921E-02 0.381E-01 RMM: 5 -0.352103062375E+03 0.84201E-03 -0.52340E-04 4496 0.591E-02 0.155E-01 RMM: 6 -0.352102935293E+03 0.12708E-03 -0.15583E-04 3880 0.322E-02 0.763E-02 RMM: 7 -0.352103001560E+03 -0.66268E-04 -0.83834E-05 3620 0.248E-02 0.125E-01 RMM: 8 -0.352102906540E+03 0.95021E-04 -0.43046E-05 3200 0.203E-02 0.340E-02 RMM: 9 -0.352102905205E+03 0.13346E-05 -0.11600E-05 2478 0.957E-03 3434 T= 6646. E= 0.70169164E+03 F= 0.64671343E+03 E0= 0.67705577E+03 EK= 0.54978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352899017355E+03 -0.79611E+00 -0.19109E-01 8628 0.241E+01 0.292E-01 RMM: 2 -0.352910848878E+03 -0.11832E-01 -0.80430E-02 5267 0.611E-01 0.968E-01 RMM: 3 -0.352904112597E+03 0.67363E-02 -0.69905E-03 5389 0.179E-01 0.192E-01 RMM: 4 -0.352904896765E+03 -0.78417E-03 -0.13868E-03 4678 0.879E-02 0.407E-01 RMM: 5 -0.352903885095E+03 0.10117E-02 -0.50410E-04 4496 0.586E-02 0.127E-01 RMM: 6 -0.352903792310E+03 0.92784E-04 -0.11170E-04 3817 0.271E-02 0.577E-02 RMM: 7 -0.352903832903E+03 -0.40592E-04 -0.55670E-05 3328 0.203E-02 0.100E-01 RMM: 8 -0.352903769729E+03 0.63174E-04 -0.33056E-05 2979 0.185E-02 0.259E-02 RMM: 9 -0.352903769082E+03 0.64675E-06 -0.84721E-06 2459 0.807E-03 3435 T= 6731. E= 0.70188217E+03 F= 0.64619711E+03 E0= 0.67659405E+03 EK= 0.55685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353631582203E+03 -0.72781E+00 -0.20404E-01 8652 0.241E+01 0.330E-01 RMM: 2 -0.353644000411E+03 -0.12418E-01 -0.90337E-02 5240 0.648E-01 0.972E-01 RMM: 3 -0.353637210635E+03 0.67898E-02 -0.80469E-03 5392 0.196E-01 0.249E-01 RMM: 4 -0.353637881263E+03 -0.67063E-03 -0.18003E-03 4779 0.100E-01 0.416E-01 RMM: 5 -0.353636844226E+03 0.10370E-02 -0.63700E-04 4567 0.655E-02 0.153E-01 RMM: 6 -0.353636718119E+03 0.12611E-03 -0.13935E-04 3877 0.303E-02 0.744E-02 RMM: 7 -0.353636782136E+03 -0.64017E-04 -0.92794E-05 3692 0.254E-02 0.125E-01 RMM: 8 -0.353636686003E+03 0.96132E-04 -0.49333E-05 3241 0.214E-02 0.329E-02 RMM: 9 -0.353636686310E+03 -0.30661E-06 -0.13266E-05 2491 0.103E-02 3436 T= 6709. E= 0.70125048E+03 F= 0.64574754E+03 E0= 0.67619375E+03 EK= 0.55503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354209037369E+03 -0.57235E+00 -0.21057E-01 8916 0.239E+01 0.324E-01 RMM: 2 -0.354222781841E+03 -0.13744E-01 -0.91486E-02 5333 0.636E-01 0.106E+00 RMM: 3 -0.354214805526E+03 0.79763E-02 -0.78435E-03 5381 0.193E-01 0.244E-01 RMM: 4 -0.354215462871E+03 -0.65734E-03 -0.16843E-03 4744 0.964E-02 0.408E-01 RMM: 5 -0.354214451457E+03 0.10114E-02 -0.59293E-04 4572 0.634E-02 0.148E-01 RMM: 6 -0.354214334349E+03 0.11711E-03 -0.13587E-04 3878 0.297E-02 0.727E-02 RMM: 7 -0.354214397574E+03 -0.63224E-04 -0.86135E-05 3659 0.244E-02 0.122E-01 RMM: 8 -0.354214306112E+03 0.91461E-04 -0.48043E-05 3242 0.212E-02 0.298E-02 RMM: 9 -0.354214308181E+03 -0.20689E-05 -0.12270E-05 2484 0.980E-03 3437 T= 6579. E= 0.69987895E+03 F= 0.64545401E+03 E0= 0.67594143E+03 EK= 0.54425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354570429197E+03 -0.35612E+00 -0.20519E-01 8880 0.236E+01 0.309E-01 RMM: 2 -0.354583166414E+03 -0.12737E-01 -0.92643E-02 5502 0.620E-01 0.955E-01 RMM: 3 -0.354576301048E+03 0.68654E-02 -0.66623E-03 5382 0.179E-01 0.237E-01 RMM: 4 -0.354576920927E+03 -0.61988E-03 -0.16443E-03 4712 0.968E-02 0.397E-01 RMM: 5 -0.354575978265E+03 0.94266E-03 -0.58603E-04 4577 0.629E-02 0.148E-01 RMM: 6 -0.354575869401E+03 0.10886E-03 -0.13951E-04 3876 0.303E-02 0.782E-02 RMM: 7 -0.354575915534E+03 -0.46133E-04 -0.79268E-05 3606 0.239E-02 0.115E-01 RMM: 8 -0.354575832738E+03 0.82796E-04 -0.41142E-05 3146 0.198E-02 0.267E-02 RMM: 9 -0.354575837204E+03 -0.44661E-05 -0.11686E-05 2476 0.945E-03 3438 T= 6383. E= 0.69818557E+03 F= 0.64537866E+03 E0= 0.67589678E+03 EK= 0.52807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354685420362E+03 -0.10959E+00 -0.20380E-01 8892 0.232E+01 0.303E-01 RMM: 2 -0.354697767408E+03 -0.12347E-01 -0.97005E-02 5425 0.629E-01 0.888E-01 RMM: 3 -0.354691733702E+03 0.60337E-02 -0.69743E-03 5399 0.180E-01 0.234E-01 RMM: 4 -0.354692306797E+03 -0.57310E-03 -0.14505E-03 4675 0.908E-02 0.390E-01 RMM: 5 -0.354691366896E+03 0.93990E-03 -0.57638E-04 4577 0.627E-02 0.131E-01 RMM: 6 -0.354691301446E+03 0.65450E-04 -0.14882E-04 3877 0.310E-02 0.924E-02 RMM: 7 -0.354691334570E+03 -0.33123E-04 -0.81335E-05 3644 0.248E-02 0.116E-01 RMM: 8 -0.354691251535E+03 0.83035E-04 -0.41045E-05 3154 0.196E-02 0.288E-02 RMM: 9 -0.354691255172E+03 -0.36372E-05 -0.12679E-05 2476 0.997E-03 3439 T= 6188. E= 0.69674191E+03 F= 0.64555162E+03 E0= 0.67608989E+03 EK= 0.51190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354545138996E+03 0.14611E+00 -0.20167E-01 8964 0.229E+01 0.294E-01 RMM: 2 -0.354558270912E+03 -0.13132E-01 -0.97780E-02 5462 0.627E-01 0.932E-01 RMM: 3 -0.354551576059E+03 0.66949E-02 -0.65590E-03 5441 0.174E-01 0.202E-01 RMM: 4 -0.354552160573E+03 -0.58451E-03 -0.14502E-03 4665 0.913E-02 0.380E-01 RMM: 5 -0.354551283028E+03 0.87755E-03 -0.58930E-04 4575 0.637E-02 0.126E-01 RMM: 6 -0.354551242105E+03 0.40923E-04 -0.15189E-04 3876 0.314E-02 0.101E-01 RMM: 7 -0.354551255200E+03 -0.13096E-04 -0.80835E-05 3636 0.251E-02 3440 T= 6053. E= 0.69605847E+03 F= 0.64598081E+03 E0= 0.67652866E+03 EK= 0.50078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354146539780E+03 0.40470E+00 -0.20547E-01 9036 0.227E+01 0.298E-01 RMM: 2 -0.354156837769E+03 -0.10298E-01 -0.98121E-02 5513 0.626E-01 0.662E-01 RMM: 3 -0.354153189478E+03 0.36483E-02 -0.59931E-03 5530 0.160E-01 0.243E-01 RMM: 4 -0.354153688956E+03 -0.49948E-03 -0.13838E-03 4662 0.911E-02 0.390E-01 RMM: 5 -0.354152740699E+03 0.94826E-03 -0.68368E-04 4601 0.686E-02 0.121E-01 RMM: 6 -0.354152751616E+03 -0.10917E-04 -0.20110E-04 3893 0.359E-02 0.131E-01 RMM: 7 -0.354152727981E+03 0.23636E-04 -0.99838E-05 3814 0.286E-02 0.115E-01 RMM: 8 -0.354152647312E+03 0.80668E-04 -0.46945E-05 3235 0.202E-02 0.317E-02 RMM: 9 -0.354152659821E+03 -0.12509E-04 -0.17482E-05 2527 0.118E-02 3441 T= 6019. E= 0.69645608E+03 F= 0.64666679E+03 E0= 0.67721522E+03 EK= 0.49789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353485226734E+03 0.66742E+00 -0.20679E-01 9024 0.227E+01 0.255E-01 RMM: 2 -0.353497811446E+03 -0.12585E-01 -0.10111E-01 5530 0.627E-01 0.824E-01 RMM: 3 -0.353492264385E+03 0.55471E-02 -0.62760E-03 5485 0.165E-01 0.176E-01 RMM: 4 -0.353492647453E+03 -0.38307E-03 -0.10980E-03 4642 0.783E-02 0.324E-01 RMM: 5 -0.353491996131E+03 0.65132E-03 -0.44497E-04 4403 0.556E-02 0.985E-02 RMM: 6 -0.353491995623E+03 0.50772E-06 -0.14047E-04 3878 0.308E-02 3442 T= 6094. E= 0.69802199E+03 F= 0.64760987E+03 E0= 0.67815083E+03 EK= 0.50412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352568274614E+03 0.92372E+00 -0.21495E-01 8988 0.229E+01 0.395E-01 RMM: 2 -0.352599035208E+03 -0.30761E-01 -0.11520E-01 5389 0.710E-01 0.184E+00 RMM: 3 -0.352575857275E+03 0.23178E-01 -0.13135E-02 5349 0.267E-01 0.345E-01 RMM: 4 -0.352575435060E+03 0.42221E-03 -0.21430E-03 4806 0.102E-01 0.266E-01 RMM: 5 -0.352575376229E+03 0.58831E-04 -0.72441E-04 4585 0.676E-02 0.274E-01 RMM: 6 -0.352574939402E+03 0.43683E-03 -0.36461E-04 3955 0.502E-02 0.100E-01 RMM: 7 -0.352575059764E+03 -0.12036E-03 -0.17746E-04 3882 0.351E-02 0.169E-01 RMM: 8 -0.352574889413E+03 0.17035E-03 -0.91850E-05 3720 0.285E-02 0.503E-02 RMM: 9 -0.352574883536E+03 0.58770E-05 -0.19842E-05 2583 0.130E-02 3443 T= 6262. E= 0.70060162E+03 F= 0.64880163E+03 E0= 0.67933085E+03 EK= 0.51800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351433506377E+03 0.11414E+01 -0.22210E-01 8976 0.232E+01 0.400E-01 RMM: 2 -0.351474157724E+03 -0.40651E-01 -0.12165E-01 5400 0.737E-01 0.219E+00 RMM: 3 -0.351442142328E+03 0.32015E-01 -0.15870E-02 5337 0.295E-01 0.396E-01 RMM: 4 -0.351441203786E+03 0.93854E-03 -0.24197E-03 4885 0.105E-01 0.188E-01 RMM: 5 -0.351441347005E+03 -0.14322E-03 -0.49094E-04 4535 0.561E-02 0.251E-01 RMM: 6 -0.351440939977E+03 0.40703E-03 -0.19719E-04 3878 0.365E-02 0.559E-02 RMM: 7 -0.351441022610E+03 -0.82633E-04 -0.11373E-04 3775 0.277E-02 0.124E-01 RMM: 8 -0.351440929915E+03 0.92694E-04 -0.54944E-05 3343 0.222E-02 0.340E-02 RMM: 9 -0.351440926501E+03 0.34141E-05 -0.95375E-06 2479 0.874E-03 3444 T= 6479. E= 0.70379866E+03 F= 0.65020085E+03 E0= 0.68071402E+03 EK= 0.53598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350180267126E+03 0.12607E+01 -0.23106E-01 8940 0.235E+01 0.307E-01 RMM: 2 -0.350204817295E+03 -0.24550E-01 -0.12989E-01 5564 0.757E-01 0.144E+00 RMM: 3 -0.350190187654E+03 0.14630E-01 -0.10707E-02 5377 0.231E-01 0.278E-01 RMM: 4 -0.350189900843E+03 0.28681E-03 -0.14901E-03 4704 0.844E-02 0.211E-01 RMM: 5 -0.350189763187E+03 0.13766E-03 -0.46702E-04 4536 0.564E-02 0.190E-01 RMM: 6 -0.350189582855E+03 0.18033E-03 -0.20941E-04 3895 0.374E-02 0.994E-02 RMM: 7 -0.350189675229E+03 -0.92374E-04 -0.14370E-04 3884 0.324E-02 0.153E-01 RMM: 8 -0.350189526149E+03 0.14908E-03 -0.75284E-05 3551 0.254E-02 0.369E-02 RMM: 9 -0.350189528076E+03 -0.19270E-05 -0.14871E-05 2516 0.109E-02 3445 T= 6686. E= 0.70702008E+03 F= 0.65170798E+03 E0= 0.68220438E+03 EK= 0.55312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348970888401E+03 0.12186E+01 -0.22386E-01 9036 0.237E+01 0.299E-01 RMM: 2 -0.348991573161E+03 -0.20685E-01 -0.13313E-01 5405 0.786E-01 0.121E+00 RMM: 3 -0.348981460041E+03 0.10113E-01 -0.11659E-02 5468 0.231E-01 0.286E-01 RMM: 4 -0.348981079331E+03 0.38071E-03 -0.13814E-03 4701 0.796E-02 0.194E-01 RMM: 5 -0.348980973756E+03 0.10558E-03 -0.40251E-04 4380 0.515E-02 0.176E-01 RMM: 6 -0.348980815963E+03 0.15779E-03 -0.18992E-04 3887 0.361E-02 0.899E-02 RMM: 7 -0.348980926617E+03 -0.11065E-03 -0.12658E-04 3856 0.296E-02 0.156E-01 RMM: 8 -0.348980776731E+03 0.14989E-03 -0.70592E-05 3516 0.248E-02 0.410E-02 RMM: 9 -0.348980772988E+03 0.37431E-05 -0.15300E-05 2513 0.112E-02 3446 T= 6824. E= 0.70961861E+03 F= 0.65316427E+03 E0= 0.68364470E+03 EK= 0.56454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347982735669E+03 0.99804E+00 -0.21494E-01 8244 0.238E+01 0.258E-01 RMM: 2 -0.348001686226E+03 -0.18951E-01 -0.15111E-01 5303 0.843E-01 0.935E-01 RMM: 3 -0.347995226030E+03 0.64602E-02 -0.12876E-02 5654 0.223E-01 0.221E-01 RMM: 4 -0.347995033487E+03 0.19254E-03 -0.11699E-03 4762 0.780E-02 0.221E-01 RMM: 5 -0.347994748482E+03 0.28501E-03 -0.37448E-04 4237 0.499E-02 0.123E-01 RMM: 6 -0.347994729699E+03 0.18783E-04 -0.15442E-04 3884 0.327E-02 3447 T= 6856. E= 0.71111302E+03 F= 0.65439197E+03 E0= 0.68485873E+03 EK= 0.56721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347356774248E+03 0.63797E+00 -0.18270E-01 8160 0.238E+01 0.482E-01 RMM: 2 -0.347407047998E+03 -0.50274E-01 -0.12305E-01 5135 0.798E-01 0.254E+00 RMM: 3 -0.347364991458E+03 0.42057E-01 -0.21981E-02 5323 0.363E-01 0.487E-01 RMM: 4 -0.347363575656E+03 0.14158E-02 -0.30143E-03 5246 0.115E-01 0.206E-01 RMM: 5 -0.347363786709E+03 -0.21105E-03 -0.72863E-04 4581 0.645E-02 0.292E-01 RMM: 6 -0.347363284701E+03 0.50201E-03 -0.34642E-04 3905 0.484E-02 0.111E-01 RMM: 7 -0.347363327089E+03 -0.42389E-04 -0.17838E-04 3883 0.349E-02 0.137E-01 RMM: 8 -0.347363238722E+03 0.88367E-04 -0.80755E-05 3621 0.259E-02 0.720E-02 RMM: 9 -0.347363212107E+03 0.26616E-04 -0.24174E-05 2739 0.147E-02 0.323E-02 RMM: 10 -0.347363228335E+03 -0.16228E-04 -0.14849E-05 2508 0.109E-02 3448 T= 6782. E= 0.71137080E+03 F= 0.65526189E+03 E0= 0.68571924E+03 EK= 0.56109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347126148950E+03 0.23706E+00 -0.17686E-01 7908 0.239E+01 0.424E-01 RMM: 2 -0.347168053862E+03 -0.41905E-01 -0.11003E-01 5062 0.753E-01 0.228E+00 RMM: 3 -0.347133584190E+03 0.34470E-01 -0.18433E-02 5338 0.329E-01 0.432E-01 RMM: 4 -0.347132493901E+03 0.10903E-02 -0.26430E-03 5135 0.109E-01 0.203E-01 RMM: 5 -0.347132622116E+03 -0.12822E-03 -0.52189E-04 4474 0.549E-02 0.253E-01 RMM: 6 -0.347132210569E+03 0.41155E-03 -0.20922E-04 3885 0.382E-02 0.672E-02 RMM: 7 -0.347132207752E+03 0.28166E-05 -0.58776E-05 3372 0.204E-02 3449 T= 6636. E= 0.71063094E+03 F= 0.65573050E+03 E0= 0.68618159E+03 EK= 0.54900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347270074046E+03 -0.13786E+00 -0.17672E-01 8952 0.238E+01 0.390E-01 RMM: 2 -0.347291273841E+03 -0.21200E-01 -0.96171E-02 5312 0.706E-01 0.150E+00 RMM: 3 -0.347276093048E+03 0.15181E-01 -0.12549E-02 5356 0.261E-01 0.320E-01 RMM: 4 -0.347276031822E+03 0.61226E-04 -0.19346E-03 4760 0.961E-02 0.317E-01 RMM: 5 -0.347275720883E+03 0.31094E-03 -0.50771E-04 4460 0.550E-02 0.251E-01 RMM: 6 -0.347275317699E+03 0.40318E-03 -0.26186E-04 3898 0.424E-02 0.650E-02 RMM: 7 -0.347275411453E+03 -0.93754E-04 -0.13657E-04 3882 0.304E-02 0.139E-01 RMM: 8 -0.347275302281E+03 0.10917E-03 -0.62985E-05 3438 0.230E-02 0.523E-02 RMM: 9 -0.347275288567E+03 0.13714E-04 -0.16108E-05 2520 0.115E-02 3450 T= 6472. E= 0.70936273E+03 F= 0.65582583E+03 E0= 0.68627475E+03 EK= 0.53537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347729774966E+03 -0.45447E+00 -0.18156E-01 8736 0.237E+01 0.329E-01 RMM: 2 -0.347749378244E+03 -0.19603E-01 -0.11021E-01 5198 0.735E-01 0.132E+00 RMM: 3 -0.347737503581E+03 0.11875E-01 -0.11118E-02 5393 0.229E-01 0.231E-01 RMM: 4 -0.347737974946E+03 -0.47137E-03 -0.16977E-03 4763 0.923E-02 0.369E-01 RMM: 5 -0.347737141581E+03 0.83337E-03 -0.44569E-04 4347 0.522E-02 0.125E-01 RMM: 6 -0.347737058864E+03 0.82717E-04 -0.12307E-04 3858 0.288E-02 0.646E-02 RMM: 7 -0.347737105078E+03 -0.46214E-04 -0.79952E-05 3639 0.229E-02 0.109E-01 RMM: 8 -0.347737035009E+03 0.70070E-04 -0.39084E-05 3089 0.189E-02 0.328E-02 RMM: 9 -0.347737033097E+03 0.19112E-05 -0.12788E-05 2475 0.993E-03 3451 T= 6341. E= 0.70805723E+03 F= 0.65560392E+03 E0= 0.68605342E+03 EK= 0.52453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348456705426E+03 -0.71967E+00 -0.17855E-01 9024 0.237E+01 0.316E-01 RMM: 2 -0.348471494712E+03 -0.14789E-01 -0.10330E-01 5240 0.698E-01 0.104E+00 RMM: 3 -0.348464002049E+03 0.74927E-02 -0.98995E-03 5448 0.209E-01 0.236E-01 RMM: 4 -0.348464397488E+03 -0.39544E-03 -0.14522E-03 4705 0.861E-02 0.360E-01 RMM: 5 -0.348463657404E+03 0.74008E-03 -0.43756E-04 4355 0.529E-02 0.160E-01 RMM: 6 -0.348463506986E+03 0.15042E-03 -0.14953E-04 3874 0.318E-02 0.651E-02 RMM: 7 -0.348463549658E+03 -0.42672E-04 -0.98554E-05 3838 0.248E-02 0.110E-01 RMM: 8 -0.348463475784E+03 0.73874E-04 -0.41963E-05 3182 0.189E-02 0.288E-02 RMM: 9 -0.348463478876E+03 -0.30920E-05 -0.12547E-05 2492 0.984E-03 3452 T= 6280. E= 0.70707303E+03 F= 0.65511843E+03 E0= 0.68557135E+03 EK= 0.51955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349405525078E+03 -0.94205E+00 -0.18380E-01 8760 0.237E+01 0.283E-01 RMM: 2 -0.349417585086E+03 -0.12060E-01 -0.99359E-02 5254 0.677E-01 0.842E-01 RMM: 3 -0.349412715875E+03 0.48692E-02 -0.86702E-03 5666 0.184E-01 0.206E-01 RMM: 4 -0.349413129848E+03 -0.41397E-03 -0.11661E-03 4662 0.808E-02 0.356E-01 RMM: 5 -0.349412330068E+03 0.79978E-03 -0.41740E-04 4198 0.517E-02 0.118E-01 RMM: 6 -0.349412273452E+03 0.56617E-04 -0.13546E-04 3869 0.306E-02 0.804E-02 RMM: 7 -0.349412300715E+03 -0.27263E-04 -0.95908E-05 3778 0.248E-02 0.109E-01 RMM: 8 -0.349412229094E+03 0.71620E-04 -0.41922E-05 3171 0.190E-02 0.311E-02 RMM: 9 -0.349412228154E+03 0.94012E-06 -0.11399E-05 2473 0.927E-03 3453 T= 6304. E= 0.70656157E+03 F= 0.65441078E+03 E0= 0.68487004E+03 EK= 0.52151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350543073433E+03 -0.11308E+01 -0.18749E-01 8760 0.239E+01 0.276E-01 RMM: 2 -0.350554349472E+03 -0.11276E-01 -0.92299E-02 5311 0.652E-01 0.820E-01 RMM: 3 -0.350549679117E+03 0.46704E-02 -0.77089E-03 5666 0.174E-01 0.203E-01 RMM: 4 -0.350549979784E+03 -0.30067E-03 -0.10939E-03 4638 0.782E-02 0.327E-01 RMM: 5 -0.350549346777E+03 0.63301E-03 -0.42001E-04 4222 0.524E-02 0.139E-01 RMM: 6 -0.350549244872E+03 0.10190E-03 -0.15334E-04 3886 0.330E-02 0.744E-02 RMM: 7 -0.350549297981E+03 -0.53109E-04 -0.10323E-04 3806 0.264E-02 0.119E-01 RMM: 8 -0.350549209223E+03 0.88758E-04 -0.47612E-05 3233 0.202E-02 0.342E-02 RMM: 9 -0.350549205755E+03 0.34685E-05 -0.11336E-05 2478 0.922E-03 3454 T= 6399. E= 0.70645369E+03 F= 0.65351400E+03 E0= 0.68398302E+03 EK= 0.52940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351840997297E+03 -0.12918E+01 -0.18869E-01 8856 0.240E+01 0.286E-01 RMM: 2 -0.351853726142E+03 -0.12729E-01 -0.90495E-02 5300 0.651E-01 0.977E-01 RMM: 3 -0.351847371266E+03 0.63549E-02 -0.81313E-03 5584 0.186E-01 0.203E-01 RMM: 4 -0.351847668023E+03 -0.29676E-03 -0.11399E-03 4619 0.780E-02 0.323E-01 RMM: 5 -0.351847063747E+03 0.60428E-03 -0.39867E-04 4215 0.511E-02 0.142E-01 RMM: 6 -0.351846961734E+03 0.10201E-03 -0.15547E-04 3880 0.331E-02 0.768E-02 RMM: 7 -0.351847011003E+03 -0.49269E-04 -0.91261E-05 3683 0.249E-02 0.119E-01 RMM: 8 -0.351846926804E+03 0.84199E-04 -0.42256E-05 3160 0.198E-02 0.363E-02 RMM: 9 -0.351846922344E+03 0.44597E-05 -0.12215E-05 2472 0.970E-03 3455 T= 6532. E= 0.70648831E+03 F= 0.65245489E+03 E0= 0.68293715E+03 EK= 0.54033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353278489085E+03 -0.14316E+01 -0.19078E-01 8520 0.242E+01 0.313E-01 RMM: 2 -0.353295841324E+03 -0.17352E-01 -0.96128E-02 5255 0.690E-01 0.125E+00 RMM: 3 -0.353285320139E+03 0.10521E-01 -0.98048E-03 5463 0.213E-01 0.265E-01 RMM: 4 -0.353285212262E+03 0.10788E-03 -0.14545E-03 4666 0.867E-02 0.262E-01 RMM: 5 -0.353284980286E+03 0.23198E-03 -0.44125E-04 4359 0.522E-02 0.204E-01 RMM: 6 -0.353284731526E+03 0.24876E-03 -0.20323E-04 3890 0.381E-02 0.714E-02 RMM: 7 -0.353284812783E+03 -0.81257E-04 -0.10479E-04 3801 0.270E-02 0.131E-01 RMM: 8 -0.353284713291E+03 0.99492E-04 -0.53031E-05 3321 0.217E-02 0.519E-02 RMM: 9 -0.353284698973E+03 0.14317E-04 -0.16297E-05 2523 0.118E-02 3456 T= 6652. E= 0.70628644E+03 F= 0.65125419E+03 E0= 0.68175360E+03 EK= 0.55032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354834161507E+03 -0.15494E+01 -0.18343E-01 8412 0.242E+01 0.303E-01 RMM: 2 -0.354849679090E+03 -0.15518E-01 -0.86092E-02 5318 0.654E-01 0.122E+00 RMM: 3 -0.354840051613E+03 0.96275E-02 -0.83554E-03 5435 0.198E-01 0.217E-01 RMM: 4 -0.354840259287E+03 -0.20767E-03 -0.13395E-03 4640 0.840E-02 0.300E-01 RMM: 5 -0.354839808248E+03 0.45104E-03 -0.43301E-04 4397 0.528E-02 0.172E-01 RMM: 6 -0.354839642463E+03 0.16579E-03 -0.17201E-04 3881 0.347E-02 0.752E-02 RMM: 7 -0.354839723822E+03 -0.81359E-04 -0.10130E-04 3734 0.268E-02 0.134E-01 RMM: 8 -0.354839619760E+03 0.10406E-03 -0.50120E-05 3275 0.216E-02 0.465E-02 RMM: 9 -0.354839609859E+03 0.99010E-05 -0.14537E-05 2500 0.110E-02 3457 T= 6715. E= 0.70548647E+03 F= 0.64993564E+03 E0= 0.68045566E+03 EK= 0.55551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356470071536E+03 -0.16305E+01 -0.18182E-01 8148 0.241E+01 0.300E-01 RMM: 2 -0.356486554760E+03 -0.16483E-01 -0.79449E-02 5199 0.626E-01 0.127E+00 RMM: 3 -0.356475393683E+03 0.11161E-01 -0.83136E-03 5373 0.202E-01 0.234E-01 RMM: 4 -0.356475597248E+03 -0.20357E-03 -0.14353E-03 4658 0.870E-02 0.302E-01 RMM: 5 -0.356475223356E+03 0.37389E-03 -0.41627E-04 4262 0.509E-02 0.200E-01 RMM: 6 -0.356474975621E+03 0.24773E-03 -0.17970E-04 3883 0.361E-02 0.634E-02 RMM: 7 -0.356475036887E+03 -0.61267E-04 -0.91573E-05 3671 0.257E-02 0.115E-01 RMM: 8 -0.356474958551E+03 0.78336E-04 -0.44845E-05 3194 0.208E-02 0.386E-02 RMM: 9 -0.356474952379E+03 0.61724E-05 -0.13036E-05 2484 0.106E-02 3458 T= 6693. E= 0.70390306E+03 F= 0.64853732E+03 E0= 0.67908068E+03 EK= 0.55366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358125795363E+03 -0.16508E+01 -0.17926E-01 8256 0.239E+01 0.297E-01 RMM: 2 -0.358140281424E+03 -0.14486E-01 -0.75263E-02 5237 0.604E-01 0.120E+00 RMM: 3 -0.358130546239E+03 0.97352E-02 -0.73618E-03 5372 0.189E-01 0.198E-01 RMM: 4 -0.358130999358E+03 -0.45312E-03 -0.14605E-03 4650 0.888E-02 0.341E-01 RMM: 5 -0.358130371895E+03 0.62746E-03 -0.44194E-04 4318 0.536E-02 0.158E-01 RMM: 6 -0.358130222787E+03 0.14911E-03 -0.11932E-04 3848 0.289E-02 0.578E-02 RMM: 7 -0.358130276178E+03 -0.53390E-04 -0.75030E-05 3528 0.233E-02 0.109E-01 RMM: 8 -0.358130207340E+03 0.68837E-04 -0.36337E-05 3085 0.192E-02 0.338E-02 RMM: 9 -0.358130204348E+03 0.29920E-05 -0.10011E-05 2465 0.882E-03 3459 T= 6589. E= 0.70162892E+03 F= 0.64712121E+03 E0= 0.67768878E+03 EK= 0.54508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359726217753E+03 -0.15960E+01 -0.17763E-01 8520 0.237E+01 0.282E-01 RMM: 2 -0.359736134021E+03 -0.99163E-02 -0.82355E-02 5194 0.613E-01 0.777E-01 RMM: 3 -0.359731719296E+03 0.44147E-02 -0.70319E-03 5421 0.178E-01 0.231E-01 RMM: 4 -0.359732287352E+03 -0.56806E-03 -0.13189E-03 4673 0.853E-02 0.381E-01 RMM: 5 -0.359731442384E+03 0.84497E-03 -0.44728E-04 4268 0.529E-02 0.145E-01 RMM: 6 -0.359731322953E+03 0.11943E-03 -0.13248E-04 3865 0.306E-02 0.601E-02 RMM: 7 -0.359731379159E+03 -0.56206E-04 -0.67777E-05 3497 0.224E-02 0.112E-01 RMM: 8 -0.359731306101E+03 0.73058E-04 -0.35911E-05 3043 0.185E-02 0.357E-02 RMM: 9 -0.359731302175E+03 0.39256E-05 -0.12408E-05 2476 0.100E-02 3460 T= 6436. E= 0.69900866E+03 F= 0.64576242E+03 E0= 0.67635299E+03 EK= 0.53246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361213020361E+03 -0.14817E+01 -0.17721E-01 8904 0.234E+01 0.301E-01 RMM: 2 -0.361225886400E+03 -0.12866E-01 -0.84898E-02 5278 0.613E-01 0.102E+00 RMM: 3 -0.361218477563E+03 0.74088E-02 -0.73938E-03 5383 0.186E-01 0.210E-01 RMM: 4 -0.361219092974E+03 -0.61541E-03 -0.14972E-03 4643 0.906E-02 0.385E-01 RMM: 5 -0.361218215157E+03 0.87782E-03 -0.49554E-04 4378 0.562E-02 0.133E-01 RMM: 6 -0.361218125328E+03 0.89829E-04 -0.95118E-05 3683 0.252E-02 0.648E-02 RMM: 7 -0.361218170376E+03 -0.45048E-04 -0.70894E-05 3539 0.221E-02 0.107E-01 RMM: 8 -0.361218102023E+03 0.68354E-04 -0.40838E-05 3117 0.198E-02 0.287E-02 RMM: 9 -0.361218103842E+03 -0.18193E-05 -0.10811E-05 2476 0.920E-03 3461 T= 6283. E= 0.69650064E+03 F= 0.64452130E+03 E0= 0.67513146E+03 EK= 0.51979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362555572602E+03 -0.13375E+01 -0.17544E-01 9060 0.232E+01 0.290E-01 RMM: 2 -0.362565658198E+03 -0.10086E-01 -0.86350E-02 5428 0.602E-01 0.773E-01 RMM: 3 -0.362561235829E+03 0.44224E-02 -0.65889E-03 5424 0.172E-01 0.238E-01 RMM: 4 -0.362561670526E+03 -0.43470E-03 -0.12275E-03 4644 0.812E-02 0.360E-01 RMM: 5 -0.362560901143E+03 0.76938E-03 -0.43346E-04 4166 0.524E-02 0.142E-01 RMM: 6 -0.362560786618E+03 0.11452E-03 -0.12626E-04 3874 0.303E-02 0.628E-02 RMM: 7 -0.362560846015E+03 -0.59397E-04 -0.78935E-05 3609 0.236E-02 0.116E-01 RMM: 8 -0.362560770145E+03 0.75871E-04 -0.41595E-05 3120 0.196E-02 0.431E-02 RMM: 9 -0.362560762480E+03 0.76645E-05 -0.14286E-05 2497 0.107E-02 3462 T= 6176. E= 0.69451892E+03 F= 0.64342689E+03 E0= 0.67405172E+03 EK= 0.51092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363757693739E+03 -0.11969E+01 -0.17550E-01 9048 0.230E+01 0.288E-01 RMM: 2 -0.363769556001E+03 -0.11862E-01 -0.87554E-02 5452 0.600E-01 0.918E-01 RMM: 3 -0.363763490523E+03 0.60655E-02 -0.69310E-03 5408 0.174E-01 0.201E-01 RMM: 4 -0.363764088039E+03 -0.59752E-03 -0.12865E-03 4628 0.843E-02 0.374E-01 RMM: 5 -0.363763217430E+03 0.87061E-03 -0.44304E-04 4221 0.530E-02 0.112E-01 RMM: 6 -0.363763173780E+03 0.43650E-04 -0.96471E-05 3711 0.256E-02 0.818E-02 RMM: 7 -0.363763196539E+03 -0.22759E-04 -0.77352E-05 3661 0.231E-02 0.997E-02 RMM: 8 -0.363763134104E+03 0.62435E-04 -0.40699E-05 3130 0.195E-02 0.262E-02 RMM: 9 -0.363763137675E+03 -0.35704E-05 -0.10964E-05 2475 0.933E-03 3463 T= 6147. E= 0.69332271E+03 F= 0.64247364E+03 E0= 0.67310752E+03 EK= 0.50849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364846886473E+03 -0.10838E+01 -0.17985E-01 8988 0.230E+01 0.272E-01 RMM: 2 -0.364858913416E+03 -0.12027E-01 -0.95539E-02 5379 0.612E-01 0.845E-01 RMM: 3 -0.364853302346E+03 0.56111E-02 -0.67193E-03 5535 0.170E-01 0.204E-01 RMM: 4 -0.364853704383E+03 -0.40204E-03 -0.12332E-03 4643 0.821E-02 0.335E-01 RMM: 5 -0.364853060050E+03 0.64433E-03 -0.41435E-04 4105 0.513E-02 0.145E-01 RMM: 6 -0.364852943956E+03 0.11609E-03 -0.13884E-04 3880 0.320E-02 0.654E-02 RMM: 7 -0.364853011359E+03 -0.67403E-04 -0.74781E-05 3591 0.230E-02 0.122E-01 RMM: 8 -0.364852920756E+03 0.90603E-04 -0.40332E-05 3125 0.195E-02 0.338E-02 RMM: 9 -0.364852919094E+03 0.16619E-05 -0.12350E-05 2481 0.979E-03 3464 T= 6206. E= 0.69296974E+03 F= 0.64163174E+03 E0= 0.67226937E+03 EK= 0.51338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365861886863E+03 -0.10090E+01 -0.18860E-01 9036 0.231E+01 0.268E-01 RMM: 2 -0.365874552751E+03 -0.12666E-01 -0.10064E-01 5363 0.629E-01 0.852E-01 RMM: 3 -0.365868838265E+03 0.57145E-02 -0.71127E-03 5532 0.173E-01 0.195E-01 RMM: 4 -0.365869240722E+03 -0.40246E-03 -0.11917E-03 4651 0.808E-02 0.334E-01 RMM: 5 -0.365868577111E+03 0.66361E-03 -0.42161E-04 4198 0.526E-02 0.127E-01 RMM: 6 -0.365868504481E+03 0.72630E-04 -0.12295E-04 3852 0.294E-02 0.758E-02 RMM: 7 -0.365868551579E+03 -0.47098E-04 -0.80897E-05 3673 0.240E-02 0.113E-01 RMM: 8 -0.365868471712E+03 0.79868E-04 -0.43100E-05 3170 0.201E-02 0.304E-02 RMM: 9 -0.365868471828E+03 -0.11656E-06 -0.11065E-05 2476 0.931E-03 3465 T= 6339. E= 0.69330538E+03 F= 0.64086085E+03 E0= 0.67149689E+03 EK= 0.52445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366839358954E+03 -0.97089E+00 -0.19860E-01 8820 0.232E+01 0.278E-01 RMM: 2 -0.366855420240E+03 -0.16061E-01 -0.11103E-01 5354 0.673E-01 0.105E+00 RMM: 3 -0.366847208530E+03 0.82117E-02 -0.84090E-03 5556 0.189E-01 0.194E-01 RMM: 4 -0.366847540416E+03 -0.33189E-03 -0.12950E-03 4681 0.837E-02 0.322E-01 RMM: 5 -0.366846953700E+03 0.58672E-03 -0.39491E-04 4111 0.501E-02 0.140E-01 RMM: 6 -0.366846848755E+03 0.10495E-03 -0.13512E-04 3876 0.313E-02 0.681E-02 RMM: 7 -0.366846905462E+03 -0.56707E-04 -0.75517E-05 3575 0.229E-02 0.118E-01 RMM: 8 -0.366846820935E+03 0.84527E-04 -0.41683E-05 3138 0.199E-02 0.289E-02 RMM: 9 -0.366846822197E+03 -0.12627E-05 -0.11166E-05 2474 0.926E-03 3466 T= 6510. E= 0.69397997E+03 F= 0.64012272E+03 E0= 0.67075311E+03 EK= 0.53857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367812049137E+03 -0.96523E+00 -0.20348E-01 8832 0.234E+01 0.270E-01 RMM: 2 -0.367826907088E+03 -0.14858E-01 -0.11065E-01 5438 0.666E-01 0.955E-01 RMM: 3 -0.367819896775E+03 0.70103E-02 -0.75815E-03 5555 0.179E-01 0.209E-01 RMM: 4 -0.367820135151E+03 -0.23838E-03 -0.12760E-03 4659 0.835E-02 0.306E-01 RMM: 5 -0.367819607045E+03 0.52811E-03 -0.41047E-04 4136 0.522E-02 0.138E-01 RMM: 6 -0.367819507322E+03 0.99723E-04 -0.12102E-04 3849 0.296E-02 0.672E-02 RMM: 7 -0.367819563387E+03 -0.56065E-04 -0.80380E-05 3657 0.238E-02 0.115E-01 RMM: 8 -0.367819480745E+03 0.82642E-04 -0.40541E-05 3124 0.198E-02 0.271E-02 RMM: 9 -0.367819481972E+03 -0.12264E-05 -0.11195E-05 2470 0.934E-03 3467 T= 6664. E= 0.69451430E+03 F= 0.63938564E+03 E0= 0.67000659E+03 EK= 0.55129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368804734899E+03 -0.98525E+00 -0.20131E-01 8880 0.235E+01 0.272E-01 RMM: 2 -0.368819473782E+03 -0.14739E-01 -0.10514E-01 5461 0.658E-01 0.987E-01 RMM: 3 -0.368812078190E+03 0.73956E-02 -0.69461E-03 5532 0.178E-01 0.188E-01 RMM: 4 -0.368812447163E+03 -0.36897E-03 -0.12243E-03 4634 0.822E-02 0.320E-01 RMM: 5 -0.368811827054E+03 0.62011E-03 -0.38421E-04 4050 0.495E-02 0.118E-01 RMM: 6 -0.368811771542E+03 0.55512E-04 -0.11325E-04 3849 0.286E-02 0.787E-02 RMM: 7 -0.368811799880E+03 -0.28337E-04 -0.68006E-05 3499 0.218E-02 0.106E-01 RMM: 8 -0.368811730890E+03 0.68990E-04 -0.38346E-05 3081 0.193E-02 0.225E-02 RMM: 9 -0.368811736368E+03 -0.54784E-05 -0.10899E-05 2464 0.911E-03 3468 T= 6747. E= 0.69444469E+03 F= 0.63862514E+03 E0= 0.66923462E+03 EK= 0.55820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369837127888E+03 -0.10254E+01 -0.20165E-01 8844 0.235E+01 0.259E-01 RMM: 2 -0.369849585403E+03 -0.12458E-01 -0.99452E-02 5574 0.639E-01 0.840E-01 RMM: 3 -0.369844093818E+03 0.54916E-02 -0.59078E-03 5672 0.161E-01 0.206E-01 RMM: 4 -0.369844288384E+03 -0.19457E-03 -0.11084E-03 4630 0.789E-02 0.292E-01 RMM: 5 -0.369843782402E+03 0.50598E-03 -0.38927E-04 4016 0.514E-02 0.118E-01 RMM: 6 -0.369843729007E+03 0.53394E-04 -0.11464E-04 3819 0.292E-02 0.793E-02 RMM: 7 -0.369843760000E+03 -0.30993E-04 -0.68464E-05 3516 0.225E-02 0.106E-01 RMM: 8 -0.369843690250E+03 0.69750E-04 -0.33795E-05 3015 0.183E-02 0.229E-02 RMM: 9 -0.369843694359E+03 -0.41089E-05 -0.10727E-05 2461 0.897E-03 3469 T= 6732. E= 0.69351230E+03 F= 0.63782258E+03 E0= 0.66841913E+03 EK= 0.55690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370924567751E+03 -0.10809E+01 -0.19627E-01 8832 0.233E+01 0.258E-01 RMM: 2 -0.370937296867E+03 -0.12729E-01 -0.97504E-02 5512 0.640E-01 0.874E-01 RMM: 3 -0.370931445446E+03 0.58514E-02 -0.63597E-03 5651 0.164E-01 0.174E-01 RMM: 4 -0.370931766747E+03 -0.32130E-03 -0.10700E-03 4627 0.782E-02 0.306E-01 RMM: 5 -0.370931179141E+03 0.58761E-03 -0.37740E-04 4025 0.498E-02 0.101E-01 RMM: 6 -0.370931176465E+03 0.26765E-05 -0.12001E-04 3868 0.292E-02 3470 T= 6626. E= 0.69178113E+03 F= 0.63696373E+03 E0= 0.66754657E+03 EK= 0.54817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372075853283E+03 -0.11447E+01 -0.18514E-01 8616 0.230E+01 0.369E-01 RMM: 2 -0.372100993341E+03 -0.25140E-01 -0.97489E-02 5382 0.669E-01 0.167E+00 RMM: 3 -0.372082307948E+03 0.18685E-01 -0.12621E-02 5348 0.261E-01 0.290E-01 RMM: 4 -0.372082128449E+03 0.17950E-03 -0.16695E-03 4696 0.864E-02 0.262E-01 RMM: 5 -0.372081888943E+03 0.23951E-03 -0.48489E-04 4547 0.561E-02 0.206E-01 RMM: 6 -0.372081655079E+03 0.23386E-03 -0.22394E-04 3884 0.389E-02 0.884E-02 RMM: 7 -0.372081764140E+03 -0.10906E-03 -0.14073E-04 3878 0.312E-02 0.155E-01 RMM: 8 -0.372081617884E+03 0.14626E-03 -0.70390E-05 3500 0.250E-02 0.404E-02 RMM: 9 -0.372081615648E+03 0.22366E-05 -0.16173E-05 2521 0.115E-02 3471 T= 6474. E= 0.68959792E+03 F= 0.63604226E+03 E0= 0.66661362E+03 EK= 0.53556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373287922539E+03 -0.12063E+01 -0.17389E-01 8604 0.227E+01 0.349E-01 RMM: 2 -0.373312416817E+03 -0.24494E-01 -0.87918E-02 5295 0.656E-01 0.168E+00 RMM: 3 -0.373293518541E+03 0.18898E-01 -0.11804E-02 5354 0.258E-01 0.307E-01 RMM: 4 -0.373293038618E+03 0.47992E-03 -0.16634E-03 4695 0.882E-02 0.197E-01 RMM: 5 -0.373292905925E+03 0.13269E-03 -0.36538E-04 4204 0.506E-02 0.160E-01 RMM: 6 -0.373292761665E+03 0.14426E-03 -0.12460E-04 3876 0.302E-02 0.606E-02 RMM: 7 -0.373292819964E+03 -0.58299E-04 -0.67853E-05 3450 0.213E-02 0.114E-01 RMM: 8 -0.373292739523E+03 0.80441E-04 -0.44539E-05 3160 0.213E-02 0.245E-02 RMM: 9 -0.373292738318E+03 0.12055E-05 -0.80740E-06 2454 0.818E-03 3472 T= 6329. E= 0.68742106E+03 F= 0.63506076E+03 E0= 0.66562096E+03 EK= 0.52360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374538417253E+03 -0.12457E+01 -0.16267E-01 8412 0.225E+01 0.295E-01 RMM: 2 -0.374554060557E+03 -0.15643E-01 -0.82453E-02 5299 0.619E-01 0.122E+00 RMM: 3 -0.374544062454E+03 0.99981E-02 -0.79772E-03 5407 0.193E-01 0.245E-01 RMM: 4 -0.374544088281E+03 -0.25827E-04 -0.13316E-03 4666 0.834E-02 0.277E-01 RMM: 5 -0.374543664598E+03 0.42368E-03 -0.40821E-04 4272 0.524E-02 0.142E-01 RMM: 6 -0.374543569961E+03 0.94637E-04 -0.14524E-04 3880 0.320E-02 0.790E-02 RMM: 7 -0.374543617362E+03 -0.47402E-04 -0.80962E-05 3639 0.244E-02 0.115E-01 RMM: 8 -0.374543533592E+03 0.83771E-04 -0.40027E-05 3096 0.199E-02 0.320E-02 RMM: 9 -0.374543532518E+03 0.10732E-05 -0.11658E-05 2474 0.945E-03 3473 T= 6238. E= 0.68564463E+03 F= 0.63403960E+03 E0= 0.66459005E+03 EK= 0.51605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375790467441E+03 -0.12469E+01 -0.15214E-01 8376 0.224E+01 0.282E-01 RMM: 2 -0.375802814014E+03 -0.12347E-01 -0.70871E-02 5253 0.593E-01 0.107E+00 RMM: 3 -0.375795085709E+03 0.77283E-02 -0.70371E-03 5416 0.183E-01 0.206E-01 RMM: 4 -0.375795309347E+03 -0.22364E-03 -0.11648E-03 4639 0.798E-02 0.290E-01 RMM: 5 -0.375794836344E+03 0.47300E-03 -0.32348E-04 3912 0.447E-02 0.145E-01 RMM: 6 -0.375794727133E+03 0.10921E-03 -0.13681E-04 3880 0.324E-02 0.702E-02 RMM: 7 -0.375794782079E+03 -0.54946E-04 -0.74463E-05 3541 0.230E-02 0.116E-01 RMM: 8 -0.375794699376E+03 0.82703E-04 -0.43237E-05 3166 0.205E-02 0.272E-02 RMM: 9 -0.375794699608E+03 -0.23228E-06 -0.10448E-05 2464 0.923E-03 3474 T= 6223. E= 0.68449370E+03 F= 0.63301672E+03 E0= 0.66355894E+03 EK= 0.51477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376988475711E+03 -0.11938E+01 -0.14651E-01 8412 0.224E+01 0.264E-01 RMM: 2 -0.376997657372E+03 -0.91817E-02 -0.62753E-02 5313 0.550E-01 0.862E-01 RMM: 3 -0.376992575357E+03 0.50820E-02 -0.53313E-03 5411 0.156E-01 0.201E-01 RMM: 4 -0.376992948201E+03 -0.37284E-03 -0.11439E-03 4614 0.803E-02 0.325E-01 RMM: 5 -0.376992294692E+03 0.65351E-03 -0.40157E-04 4063 0.514E-02 0.109E-01 RMM: 6 -0.376992241866E+03 0.52826E-04 -0.89041E-05 3650 0.257E-02 0.670E-02 RMM: 7 -0.376992268192E+03 -0.26326E-04 -0.59573E-05 3395 0.210E-02 0.938E-02 RMM: 8 -0.376992213325E+03 0.54867E-04 -0.32127E-05 2916 0.182E-02 0.237E-02 RMM: 9 -0.376992216921E+03 -0.35967E-05 -0.10692E-05 2463 0.910E-03 3475 T= 6280. E= 0.68399548E+03 F= 0.63204448E+03 E0= 0.66258021E+03 EK= 0.51951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378069499985E+03 -0.10773E+01 -0.14686E-01 8412 0.226E+01 0.275E-01 RMM: 2 -0.378078706449E+03 -0.92065E-02 -0.61954E-02 5328 0.559E-01 0.896E-01 RMM: 3 -0.378073399777E+03 0.53067E-02 -0.58762E-03 5438 0.165E-01 0.190E-01 RMM: 4 -0.378073845968E+03 -0.44619E-03 -0.11242E-03 4615 0.798E-02 0.334E-01 RMM: 5 -0.378073166475E+03 0.67949E-03 -0.35861E-04 3931 0.473E-02 0.124E-01 RMM: 6 -0.378073086726E+03 0.79749E-04 -0.10235E-04 3741 0.277E-02 0.629E-02 RMM: 7 -0.378073124775E+03 -0.38049E-04 -0.55784E-05 3341 0.201E-02 0.101E-01 RMM: 8 -0.378073061729E+03 0.63045E-04 -0.33380E-05 2951 0.183E-02 0.263E-02 RMM: 9 -0.378073064025E+03 -0.22957E-05 -0.11952E-05 2461 0.980E-03 3476 T= 6384. E= 0.68399662E+03 F= 0.63118447E+03 E0= 0.66171561E+03 EK= 0.52812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378972993374E+03 -0.89993E+00 -0.14991E-01 8484 0.228E+01 0.256E-01 RMM: 2 -0.378980498494E+03 -0.75051E-02 -0.63706E-02 5316 0.555E-01 0.674E-01 RMM: 3 -0.378977314316E+03 0.31842E-02 -0.53891E-03 5491 0.151E-01 0.201E-01 RMM: 4 -0.378977702360E+03 -0.38804E-03 -0.99188E-04 4618 0.754E-02 0.327E-01 RMM: 5 -0.378977030461E+03 0.67190E-03 -0.37051E-04 3992 0.492E-02 0.107E-01 RMM: 6 -0.378976973363E+03 0.57098E-04 -0.77988E-05 3561 0.242E-02 0.597E-02 RMM: 7 -0.378977003653E+03 -0.30290E-04 -0.55464E-05 3329 0.202E-02 0.937E-02 RMM: 8 -0.378976950510E+03 0.53143E-04 -0.31174E-05 2892 0.179E-02 0.238E-02 RMM: 9 -0.378976954804E+03 -0.42941E-05 -0.11790E-05 2463 0.958E-03 3477 T= 6494. E= 0.68421657E+03 F= 0.63049612E+03 E0= 0.66102474E+03 EK= 0.53720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379651897840E+03 -0.67495E+00 -0.15104E-01 8556 0.230E+01 0.250E-01 RMM: 2 -0.379659243196E+03 -0.73454E-02 -0.60839E-02 5389 0.542E-01 0.702E-01 RMM: 3 -0.379655841079E+03 0.34021E-02 -0.49072E-03 5530 0.147E-01 0.176E-01 RMM: 4 -0.379656301667E+03 -0.46059E-03 -0.92494E-04 4613 0.729E-02 0.328E-01 RMM: 5 -0.379655623249E+03 0.67842E-03 -0.33954E-04 3909 0.468E-02 0.994E-02 RMM: 6 -0.379655579259E+03 0.43991E-04 -0.79440E-05 3582 0.242E-02 0.650E-02 RMM: 7 -0.379655596591E+03 -0.17333E-04 -0.46438E-05 3160 0.190E-02 3478 T= 6566. E= 0.68434611E+03 F= 0.63002753E+03 E0= 0.66055591E+03 EK= 0.54319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380080807716E+03 -0.42523E+00 -0.15336E-01 8316 0.231E+01 0.236E-01 RMM: 2 -0.380087260679E+03 -0.64530E-02 -0.63389E-02 5357 0.546E-01 0.523E-01 RMM: 3 -0.380085160464E+03 0.21002E-02 -0.50393E-03 5498 0.148E-01 0.196E-01 RMM: 4 -0.380085556049E+03 -0.39559E-03 -0.79351E-04 4619 0.666E-02 0.327E-01 RMM: 5 -0.380084866294E+03 0.68976E-03 -0.34504E-04 3960 0.472E-02 0.685E-02 RMM: 6 -0.380084885740E+03 -0.19447E-04 -0.72116E-05 3512 0.231E-02 3479 T= 6572. E= 0.68417367E+03 F= 0.62980313E+03 E0= 0.66033187E+03 EK= 0.54371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380267660785E+03 -0.18279E+00 -0.15455E-01 8280 0.231E+01 0.288E-01 RMM: 2 -0.380281208607E+03 -0.13548E-01 -0.67153E-02 5264 0.569E-01 0.117E+00 RMM: 3 -0.380272088794E+03 0.91198E-02 -0.79164E-03 5345 0.204E-01 0.241E-01 RMM: 4 -0.380272020019E+03 0.68775E-04 -0.11474E-03 4626 0.750E-02 0.232E-01 RMM: 5 -0.380271819885E+03 0.20013E-03 -0.30296E-04 3923 0.439E-02 0.172E-01 RMM: 6 -0.380271645079E+03 0.17481E-03 -0.14231E-04 3880 0.340E-02 0.614E-02 RMM: 7 -0.380271696335E+03 -0.51255E-04 -0.68689E-05 3478 0.220E-02 0.108E-01 RMM: 8 -0.380271629180E+03 0.67155E-04 -0.37409E-05 3041 0.196E-02 0.341E-02 RMM: 9 -0.380271626101E+03 0.30783E-05 -0.11519E-05 2466 0.994E-03 3480 T= 6511. E= 0.68368231E+03 F= 0.62981661E+03 E0= 0.66034555E+03 EK= 0.53866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380246071293E+03 0.25558E-01 -0.15501E-01 8496 0.230E+01 0.307E-01 RMM: 2 -0.380264815579E+03 -0.18744E-01 -0.68789E-02 5224 0.588E-01 0.148E+00 RMM: 3 -0.380250568546E+03 0.14247E-01 -0.89471E-03 5343 0.222E-01 0.298E-01 RMM: 4 -0.380250109831E+03 0.45872E-03 -0.13277E-03 4632 0.810E-02 0.178E-01 RMM: 5 -0.380250109763E+03 0.67446E-07 -0.30162E-04 4063 0.461E-02 0.191E-01 RMM: 6 -0.380249872485E+03 0.23728E-03 -0.11052E-04 3823 0.300E-02 0.406E-02 RMM: 7 -0.380249919875E+03 -0.47390E-04 -0.69642E-05 3450 0.219E-02 0.974E-02 RMM: 8 -0.380249861623E+03 0.58252E-04 -0.37470E-05 3054 0.200E-02 0.229E-02 RMM: 9 -0.380249861341E+03 0.28230E-06 -0.81682E-06 2449 0.808E-03 3481 T= 6409. E= 0.68305553E+03 F= 0.63003422E+03 E0= 0.66056328E+03 EK= 0.53021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380069659525E+03 0.18020E+00 -0.15542E-01 8352 0.229E+01 0.228E-01 RMM: 2 -0.380079172811E+03 -0.95133E-02 -0.70062E-02 5305 0.566E-01 0.784E-01 RMM: 3 -0.380074495221E+03 0.46776E-02 -0.55313E-03 5405 0.164E-01 0.189E-01 RMM: 4 -0.380074564529E+03 -0.69308E-04 -0.80623E-04 4627 0.651E-02 0.229E-01 RMM: 5 -0.380074261490E+03 0.30304E-03 -0.24974E-04 3902 0.413E-02 0.111E-01 RMM: 6 -0.380074210972E+03 0.50518E-04 -0.93295E-05 3742 0.271E-02 0.731E-02 RMM: 7 -0.380074239284E+03 -0.28312E-04 -0.58050E-05 3376 0.212E-02 0.994E-02 RMM: 8 -0.380074178660E+03 0.60624E-04 -0.33297E-05 2993 0.185E-02 0.254E-02 RMM: 9 -0.380074180495E+03 -0.18357E-05 -0.96034E-06 2453 0.866E-03 3482 T= 6308. E= 0.68258584E+03 F= 0.63040124E+03 E0= 0.66092867E+03 EK= 0.52185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379805787461E+03 0.26839E+00 -0.15577E-01 8436 0.229E+01 0.242E-01 RMM: 2 -0.379818205325E+03 -0.12418E-01 -0.69701E-02 5260 0.579E-01 0.104E+00 RMM: 3 -0.379810618635E+03 0.75867E-02 -0.61747E-03 5421 0.173E-01 0.201E-01 RMM: 4 -0.379810573104E+03 0.45530E-04 -0.85982E-04 4635 0.668E-02 0.203E-01 RMM: 5 -0.379810400373E+03 0.17273E-03 -0.25177E-04 3901 0.419E-02 0.142E-01 RMM: 6 -0.379810281444E+03 0.11893E-03 -0.10982E-04 3804 0.299E-02 0.538E-02 RMM: 7 -0.379810339235E+03 -0.57790E-04 -0.62712E-05 3420 0.215E-02 0.108E-01 RMM: 8 -0.379810266629E+03 0.72606E-04 -0.34673E-05 2982 0.193E-02 0.242E-02 RMM: 9 -0.379810267481E+03 -0.85183E-06 -0.89575E-06 2457 0.839E-03 3483 T= 6249. E= 0.68254679E+03 F= 0.63085134E+03 E0= 0.66137554E+03 EK= 0.51695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379519060766E+03 0.29121E+00 -0.15646E-01 8364 0.229E+01 0.208E-01 RMM: 2 -0.379527239279E+03 -0.81785E-02 -0.68961E-02 5382 0.560E-01 0.635E-01 RMM: 3 -0.379523902535E+03 0.33367E-02 -0.47388E-03 5455 0.149E-01 0.169E-01 RMM: 4 -0.379524011791E+03 -0.10926E-03 -0.69894E-04 4617 0.615E-02 0.224E-01 RMM: 5 -0.379523703603E+03 0.30819E-03 -0.22470E-04 3890 0.390E-02 0.985E-02 RMM: 6 -0.379523668151E+03 0.35452E-04 -0.78148E-05 3586 0.249E-02 0.693E-02 RMM: 7 -0.379523690810E+03 -0.22659E-04 -0.49759E-05 3239 0.199E-02 0.924E-02 RMM: 8 -0.379523638295E+03 0.52515E-04 -0.29109E-05 2848 0.173E-02 0.220E-02 RMM: 9 -0.379523640827E+03 -0.25323E-05 -0.89293E-06 2444 0.824E-03 3484 T= 6259. E= 0.68309306E+03 F= 0.63131808E+03 E0= 0.66183730E+03 EK= 0.51775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379269408500E+03 0.25423E+00 -0.15571E-01 8268 0.230E+01 0.235E-01 RMM: 2 -0.379280612742E+03 -0.11204E-01 -0.67669E-02 5421 0.567E-01 0.967E-01 RMM: 3 -0.379274068651E+03 0.65441E-02 -0.53346E-03 5482 0.158E-01 0.187E-01 RMM: 4 -0.379274094122E+03 -0.25471E-04 -0.81614E-04 4629 0.659E-02 0.216E-01 RMM: 5 -0.379273864372E+03 0.22975E-03 -0.22272E-04 3888 0.390E-02 0.127E-01 RMM: 6 -0.379273769057E+03 0.95315E-04 -0.76135E-05 3550 0.253E-02 0.486E-02 RMM: 7 -0.379273813846E+03 -0.44789E-04 -0.57859E-05 3358 0.207E-02 0.971E-02 RMM: 8 -0.379273755795E+03 0.58051E-04 -0.31646E-05 2911 0.183E-02 0.242E-02 RMM: 9 -0.379273755748E+03 0.46923E-07 -0.83448E-06 2451 0.794E-03 3485 T= 6342. E= 0.68420437E+03 F= 0.63174110E+03 E0= 0.66225469E+03 EK= 0.52463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379106159620E+03 0.16760E+00 -0.15963E-01 8232 0.233E+01 0.220E-01 RMM: 2 -0.379114948751E+03 -0.87891E-02 -0.67920E-02 5418 0.565E-01 0.740E-01 RMM: 3 -0.379110917682E+03 0.40311E-02 -0.48145E-03 5556 0.146E-01 0.159E-01 RMM: 4 -0.379111064838E+03 -0.14716E-03 -0.72899E-04 4625 0.633E-02 0.237E-01 RMM: 5 -0.379110738366E+03 0.32647E-03 -0.21961E-04 3886 0.383E-02 0.105E-01 RMM: 6 -0.379110680175E+03 0.58191E-04 -0.65295E-05 3440 0.232E-02 0.525E-02 RMM: 7 -0.379110711134E+03 -0.30959E-04 -0.46740E-05 3155 0.192E-02 0.885E-02 RMM: 8 -0.379110662422E+03 0.48712E-04 -0.27697E-05 2766 0.169E-02 0.204E-02 RMM: 9 -0.379110664952E+03 -0.25298E-05 -0.90800E-06 2442 0.832E-03 3486 T= 6479. E= 0.68566830E+03 F= 0.63206980E+03 E0= 0.66257745E+03 EK= 0.53599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379068421046E+03 0.42241E-01 -0.16335E-01 8196 0.235E+01 0.217E-01 RMM: 2 -0.379076994619E+03 -0.85736E-02 -0.67680E-02 5418 0.564E-01 0.719E-01 RMM: 3 -0.379073211662E+03 0.37830E-02 -0.47308E-03 5611 0.142E-01 0.165E-01 RMM: 4 -0.379073375706E+03 -0.16404E-03 -0.71976E-04 4630 0.641E-02 0.247E-01 RMM: 5 -0.379073001633E+03 0.37407E-03 -0.22207E-04 3885 0.383E-02 0.864E-02 RMM: 6 -0.379072963587E+03 0.38045E-04 -0.45273E-05 3166 0.197E-02 0.505E-02 RMM: 7 -0.379072984033E+03 -0.20445E-04 -0.43590E-05 3061 0.186E-02 0.789E-02 RMM: 8 -0.379072946636E+03 0.37397E-04 -0.26516E-05 2737 0.164E-02 0.202E-02 RMM: 9 -0.379072949651E+03 -0.30155E-05 -0.79736E-06 2444 0.772E-03 3487 T= 6629. E= 0.68710760E+03 F= 0.63226562E+03 E0= 0.66276789E+03 EK= 0.54842E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379182182275E+03 -0.10924E+00 -0.16885E-01 8244 0.237E+01 0.225E-01 RMM: 2 -0.379190863576E+03 -0.86813E-02 -0.67802E-02 5413 0.574E-01 0.747E-01 RMM: 3 -0.379186925857E+03 0.39377E-02 -0.50569E-03 5725 0.146E-01 0.166E-01 RMM: 4 -0.379187046703E+03 -0.12085E-03 -0.72147E-04 4637 0.641E-02 0.241E-01 RMM: 5 -0.379186709952E+03 0.33675E-03 -0.21165E-04 3883 0.371E-02 0.103E-01 RMM: 6 -0.379186651622E+03 0.58330E-04 -0.56779E-05 3342 0.219E-02 0.474E-02 RMM: 7 -0.379186680090E+03 -0.28468E-04 -0.40932E-05 2994 0.181E-02 0.846E-02 RMM: 8 -0.379186635977E+03 0.44114E-04 -0.26951E-05 2664 0.164E-02 0.217E-02 RMM: 9 -0.379186638260E+03 -0.22836E-05 -0.89009E-06 2444 0.819E-03 3488 T= 6742. E= 0.68807362E+03 F= 0.63230319E+03 E0= 0.66280082E+03 EK= 0.55770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379459056281E+03 -0.27242E+00 -0.17192E-01 8316 0.238E+01 0.212E-01 RMM: 2 -0.379467083847E+03 -0.80276E-02 -0.67362E-02 5399 0.567E-01 0.656E-01 RMM: 3 -0.379463886379E+03 0.31975E-02 -0.47862E-03 5691 0.140E-01 0.166E-01 RMM: 4 -0.379463994253E+03 -0.10787E-03 -0.67532E-04 4634 0.622E-02 0.233E-01 RMM: 5 -0.379463653563E+03 0.34069E-03 -0.20931E-04 3888 0.369E-02 0.819E-02 RMM: 6 -0.379463620636E+03 0.32927E-04 -0.43849E-05 3160 0.194E-02 0.495E-02 RMM: 7 -0.379463641837E+03 -0.21202E-04 -0.42934E-05 3038 0.185E-02 0.804E-02 RMM: 8 -0.379463603461E+03 0.38376E-04 -0.24815E-05 2639 0.157E-02 0.195E-02 RMM: 9 -0.379463606782E+03 -0.33217E-05 -0.82368E-06 2441 0.777E-03 3489 T= 6774. E= 0.68820921E+03 F= 0.63217165E+03 E0= 0.66266575E+03 EK= 0.56038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379898381955E+03 -0.43478E+00 -0.17116E-01 8544 0.237E+01 0.217E-01 RMM: 2 -0.379906933890E+03 -0.85519E-02 -0.67252E-02 5376 0.574E-01 0.726E-01 RMM: 3 -0.379903096009E+03 0.38379E-02 -0.51052E-03 5653 0.149E-01 0.156E-01 RMM: 4 -0.379903196521E+03 -0.10051E-03 -0.67647E-04 4634 0.609E-02 0.224E-01 RMM: 5 -0.379902903006E+03 0.29352E-03 -0.18971E-04 3883 0.351E-02 0.968E-02 RMM: 6 -0.379902853229E+03 0.49777E-04 -0.47511E-05 3200 0.201E-02 0.479E-02 RMM: 7 -0.379902882765E+03 -0.29536E-04 -0.45089E-05 3104 0.185E-02 0.865E-02 RMM: 8 -0.379902837101E+03 0.45664E-04 -0.29447E-05 2783 0.171E-02 0.200E-02 RMM: 9 -0.379902839670E+03 -0.25688E-05 -0.86685E-06 2441 0.807E-03 3490 T= 6713. E= 0.68741008E+03 F= 0.63187318E+03 E0= 0.66236429E+03 EK= 0.55537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380487515187E+03 -0.58468E+00 -0.16879E-01 8388 0.235E+01 0.203E-01 RMM: 2 -0.380495517168E+03 -0.80020E-02 -0.65858E-02 5377 0.562E-01 0.659E-01 RMM: 3 -0.380492201124E+03 0.33160E-02 -0.47281E-03 5621 0.144E-01 0.167E-01 RMM: 4 -0.380492233222E+03 -0.32098E-04 -0.59919E-04 4628 0.572E-02 0.199E-01 RMM: 5 -0.380491996279E+03 0.23694E-03 -0.16531E-04 3886 0.325E-02 0.913E-02 RMM: 6 -0.380491953568E+03 0.42712E-04 -0.51941E-05 3271 0.209E-02 0.499E-02 RMM: 7 -0.380491980527E+03 -0.26959E-04 -0.45941E-05 3120 0.188E-02 0.852E-02 RMM: 8 -0.380491937198E+03 0.43329E-04 -0.25494E-05 2656 0.161E-02 0.199E-02 RMM: 9 -0.380491938487E+03 -0.12883E-05 -0.78324E-06 2436 0.757E-03 3491 T= 6583. E= 0.68587884E+03 F= 0.63142110E+03 E0= 0.66190947E+03 EK= 0.54458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.381204873008E+03 -0.71294E+00 -0.16193E-01 8460 0.232E+01 0.193E-01 RMM: 2 -0.381212379738E+03 -0.75067E-02 -0.64198E-02 5314 0.558E-01 0.620E-01 RMM: 3 -0.381209436713E+03 0.29430E-02 -0.47434E-03 5624 0.143E-01 0.139E-01 RMM: 4 -0.381209527899E+03 -0.91186E-04 -0.56320E-04 4610 0.556E-02 0.202E-01 RMM: 5 -0.381209266228E+03 0.26167E-03 -0.16164E-04 3883 0.321E-02 0.767E-02 RMM: 6 -0.381209249821E+03 0.16407E-04 -0.48459E-05 3218 0.200E-02 3492 T= 6430. E= 0.68402767E+03 F= 0.63083747E+03 E0= 0.66132286E+03 EK= 0.53190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382019859471E+03 -0.81059E+00 -0.15721E-01 8304 0.230E+01 0.307E-01 RMM: 2 -0.382040679618E+03 -0.20820E-01 -0.69453E-02 5262 0.600E-01 0.157E+00 RMM: 3 -0.382024413807E+03 0.16266E-01 -0.98596E-03 5351 0.237E-01 0.278E-01 RMM: 4 -0.382024026853E+03 0.38695E-03 -0.11805E-03 4642 0.717E-02 0.155E-01 RMM: 5 -0.382024023120E+03 0.37324E-05 -0.24131E-04 3913 0.388E-02 0.171E-01 RMM: 6 -0.382023843189E+03 0.17993E-03 -0.12247E-04 3871 0.308E-02 0.607E-02 RMM: 7 -0.382023881127E+03 -0.37937E-04 -0.79406E-05 3634 0.238E-02 0.980E-02 RMM: 8 -0.382023829266E+03 0.51861E-04 -0.38658E-05 3037 0.192E-02 0.433E-02 RMM: 9 -0.382023819586E+03 0.96796E-05 -0.12734E-05 2473 0.109E-02 3493 T= 6304. E= 0.68230195E+03 F= 0.63015309E+03 E0= 0.66063544E+03 EK= 0.52149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382891591988E+03 -0.86776E+00 -0.15557E-01 8124 0.228E+01 0.298E-01 RMM: 2 -0.382913703986E+03 -0.22112E-01 -0.70133E-02 5127 0.610E-01 0.163E+00 RMM: 3 -0.382896469578E+03 0.17234E-01 -0.97763E-03 5379 0.234E-01 0.302E-01 RMM: 4 -0.382895925994E+03 0.54358E-03 -0.13436E-03 4645 0.796E-02 0.142E-01 RMM: 5 -0.382895960523E+03 -0.34529E-04 -0.23619E-04 3891 0.392E-02 0.168E-01 RMM: 6 -0.382895774279E+03 0.18624E-03 -0.94065E-05 3705 0.281E-02 0.393E-02 RMM: 7 -0.382895793257E+03 -0.18979E-04 -0.41039E-05 3043 0.178E-02 3494 T= 6241. E= 0.68103613E+03 F= 0.62940714E+03 E0= 0.65988641E+03 EK= 0.51629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383775491570E+03 -0.87972E+00 -0.15576E-01 8076 0.228E+01 0.227E-01 RMM: 2 -0.383786533016E+03 -0.11041E-01 -0.64438E-02 5194 0.577E-01 0.968E-01 RMM: 3 -0.383780166154E+03 0.63669E-02 -0.64635E-03 5458 0.174E-01 0.188E-01 RMM: 4 -0.383780132436E+03 0.33718E-04 -0.79924E-04 4630 0.631E-02 0.189E-01 RMM: 5 -0.383779949374E+03 0.18306E-03 -0.17235E-04 3880 0.322E-02 0.116E-01 RMM: 6 -0.383779873111E+03 0.76263E-04 -0.73564E-05 3516 0.242E-02 0.519E-02 RMM: 7 -0.383779919394E+03 -0.46283E-04 -0.55782E-05 3324 0.199E-02 0.102E-01 RMM: 8 -0.383779854491E+03 0.64903E-04 -0.33574E-05 2919 0.184E-02 0.236E-02 RMM: 9 -0.383779854377E+03 0.11413E-06 -0.86531E-06 2447 0.837E-03 3495 T= 6254. E= 0.68038308E+03 F= 0.62864403E+03 E0= 0.65911941E+03 EK= 0.51739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384625884162E+03 -0.84603E+00 -0.15354E-01 7944 0.229E+01 0.209E-01 RMM: 2 -0.384635553029E+03 -0.96689E-02 -0.64194E-02 5121 0.588E-01 0.871E-01 RMM: 3 -0.384630554908E+03 0.49981E-02 -0.61864E-03 5612 0.162E-01 0.141E-01 RMM: 4 -0.384630664572E+03 -0.10966E-03 -0.68013E-04 4626 0.611E-02 0.220E-01 RMM: 5 -0.384630377375E+03 0.28720E-03 -0.17997E-04 3880 0.342E-02 0.887E-02 RMM: 6 -0.384630333982E+03 0.43393E-04 -0.51907E-05 3254 0.207E-02 0.470E-02 RMM: 7 -0.384630358485E+03 -0.24503E-04 -0.46791E-05 3119 0.188E-02 0.828E-02 RMM: 8 -0.384630315819E+03 0.42666E-04 -0.29871E-05 2743 0.169E-02 0.188E-02 RMM: 9 -0.384630316655E+03 -0.83617E-06 -0.82481E-06 2435 0.801E-03 3496 T= 6333. E= 0.68030062E+03 F= 0.62790856E+03 E0= 0.65838009E+03 EK= 0.52392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385398388546E+03 -0.76807E+00 -0.15424E-01 7812 0.230E+01 0.208E-01 RMM: 2 -0.385407095344E+03 -0.87068E-02 -0.66538E-02 5128 0.601E-01 0.748E-01 RMM: 3 -0.385403419203E+03 0.36761E-02 -0.64935E-03 5660 0.160E-01 0.151E-01 RMM: 4 -0.385403467493E+03 -0.48291E-04 -0.68097E-04 4624 0.618E-02 0.212E-01 RMM: 5 -0.385403194625E+03 0.27287E-03 -0.18163E-04 3884 0.344E-02 0.881E-02 RMM: 6 -0.385403155470E+03 0.39155E-04 -0.52050E-05 3253 0.209E-02 0.503E-02 RMM: 7 -0.385403181300E+03 -0.25830E-04 -0.51239E-05 3257 0.196E-02 0.859E-02 RMM: 8 -0.385403134926E+03 0.46374E-04 -0.27666E-05 2723 0.165E-02 0.207E-02 RMM: 9 -0.385403135593E+03 -0.66724E-06 -0.86825E-06 2441 0.823E-03 3497 T= 6447. E= 0.68057937E+03 F= 0.62724419E+03 E0= 0.65771145E+03 EK= 0.53335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386056345710E+03 -0.65321E+00 -0.15436E-01 7632 0.232E+01 0.212E-01 RMM: 2 -0.386066184250E+03 -0.98385E-02 -0.65519E-02 5144 0.603E-01 0.874E-01 RMM: 3 -0.386061241098E+03 0.49432E-02 -0.63927E-03 5609 0.162E-01 0.138E-01 RMM: 4 -0.386061351328E+03 -0.11023E-03 -0.70486E-04 4617 0.632E-02 0.221E-01 RMM: 5 -0.386061050302E+03 0.30103E-03 -0.18175E-04 3878 0.343E-02 0.784E-02 RMM: 6 -0.386061020740E+03 0.29561E-04 -0.42495E-05 3086 0.190E-02 0.502E-02 RMM: 7 -0.386061039697E+03 -0.18956E-04 -0.51448E-05 3279 0.195E-02 3498 T= 6554. E= 0.68090427E+03 F= 0.62668798E+03 E0= 0.65715052E+03 EK= 0.54216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386572541957E+03 -0.51152E+00 -0.15270E-01 7752 0.233E+01 0.201E-01 RMM: 2 -0.386580270395E+03 -0.77284E-02 -0.59191E-02 5236 0.581E-01 0.717E-01 RMM: 3 -0.386576988507E+03 0.32819E-02 -0.53759E-03 5607 0.148E-01 0.152E-01 RMM: 4 -0.386577028950E+03 -0.40443E-04 -0.62651E-04 4610 0.600E-02 0.203E-01 RMM: 5 -0.386576759083E+03 0.26987E-03 -0.16078E-04 3881 0.325E-02 0.618E-02 RMM: 6 -0.386576757557E+03 0.15251E-05 -0.41102E-05 3085 0.186E-02 3499 T= 6612. E= 0.68096731E+03 F= 0.62626730E+03 E0= 0.65672356E+03 EK= 0.54700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386935533654E+03 -0.35877E+00 -0.14976E-01 7656 0.232E+01 0.294E-01 RMM: 2 -0.386955563981E+03 -0.20030E-01 -0.65277E-02 5176 0.618E-01 0.154E+00 RMM: 3 -0.386940120928E+03 0.15443E-01 -0.96591E-03 5336 0.234E-01 0.252E-01 RMM: 4 -0.386939820549E+03 0.30038E-03 -0.11778E-03 4619 0.715E-02 0.156E-01 RMM: 5 -0.386939749991E+03 0.70558E-04 -0.20510E-04 3892 0.365E-02 0.135E-01 RMM: 6 -0.386939636316E+03 0.11367E-03 -0.78504E-05 3543 0.255E-02 0.499E-02 RMM: 7 -0.386939659538E+03 -0.23222E-04 -0.47980E-05 3151 0.196E-02 0.806E-02 RMM: 8 -0.386939624140E+03 0.35398E-04 -0.32251E-05 2681 0.168E-02 0.401E-02 RMM: 9 -0.386939615290E+03 0.88504E-05 -0.12852E-05 2461 0.108E-02 3500 T= 6600. E= 0.68059290E+03 F= 0.62599310E+03 E0= 0.65644096E+03 EK= 0.54600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387149010282E+03 -0.20939E+00 -0.14632E-01 7536 0.231E+01 0.280E-01 RMM: 2 -0.387167172816E+03 -0.18163E-01 -0.61537E-02 5158 0.616E-01 0.146E+00 RMM: 3 -0.387153336663E+03 0.13836E-01 -0.87142E-03 5340 0.225E-01 0.270E-01 RMM: 4 -0.387152898142E+03 0.43852E-03 -0.11326E-03 4623 0.725E-02 0.134E-01 RMM: 5 -0.387152850941E+03 0.47200E-04 -0.18164E-04 3879 0.362E-02 0.119E-01 RMM: 6 -0.387152758154E+03 0.92787E-04 -0.50424E-05 3216 0.215E-02 0.380E-02 RMM: 7 -0.387152774335E+03 -0.16181E-04 -0.36242E-05 2906 0.171E-02 3501 T= 6523. E= 0.67982189E+03 F= 0.62586244E+03 E0= 0.65629985E+03 EK= 0.53959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387224609113E+03 -0.71851E-01 -0.14796E-01 7620 0.229E+01 0.211E-01 RMM: 2 -0.387236243407E+03 -0.11634E-01 -0.62309E-02 4982 0.606E-01 0.102E+00 RMM: 3 -0.387229465417E+03 0.67780E-02 -0.70378E-03 5378 0.185E-01 0.173E-01 RMM: 4 -0.387229377376E+03 0.88041E-04 -0.72295E-04 4609 0.595E-02 0.147E-01 RMM: 5 -0.387229277539E+03 0.99836E-04 -0.13529E-04 3871 0.306E-02 0.971E-02 RMM: 6 -0.387229223175E+03 0.54364E-04 -0.41313E-05 3069 0.189E-02 0.436E-02 RMM: 7 -0.387229254753E+03 -0.31579E-04 -0.54377E-05 3334 0.202E-02 0.854E-02 RMM: 8 -0.387229208713E+03 0.46041E-04 -0.32706E-05 2928 0.181E-02 0.190E-02 RMM: 9 -0.387229208589E+03 0.12328E-06 -0.70443E-06 2432 0.771E-03 3502 T= 6410. E= 0.67888933E+03 F= 0.62586237E+03 E0= 0.65628620E+03 EK= 0.53027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387178166828E+03 0.51042E-01 -0.14465E-01 7464 0.227E+01 0.175E-01 RMM: 2 -0.387185826940E+03 -0.76601E-02 -0.55519E-02 4959 0.585E-01 0.726E-01 RMM: 3 -0.387182532075E+03 0.32949E-02 -0.57789E-03 5396 0.160E-01 0.121E-01 RMM: 4 -0.387182547018E+03 -0.14943E-04 -0.48886E-04 4593 0.534E-02 0.157E-01 RMM: 5 -0.387182397369E+03 0.14965E-03 -0.11728E-04 3830 0.297E-02 0.747E-02 RMM: 6 -0.387182367205E+03 0.30164E-04 -0.36883E-05 2971 0.183E-02 0.430E-02 RMM: 7 -0.387182388030E+03 -0.20825E-04 -0.42348E-05 2963 0.187E-02 0.776E-02 RMM: 8 -0.387182349552E+03 0.38478E-04 -0.26074E-05 2577 0.152E-02 0.166E-02 RMM: 9 -0.387182350509E+03 -0.95695E-06 -0.81746E-06 2430 0.806E-03 3503 T= 6303. E= 0.67811864E+03 F= 0.62597926E+03 E0= 0.65638703E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.387016247450E+03 0.16610E+00 -0.14390E-01 7308 0.226E+01 0.167E-01 RMM: 2 -0.387022965380E+03 -0.67179E-02 -0.53656E-02 4978 0.571E-01 0.622E-01 RMM: 3 -0.387020507273E+03 0.24581E-02 -0.54820E-03 5449 0.151E-01 0.129E-01 RMM: 4 -0.387020481469E+03 0.25804E-04 -0.43110E-04 4503 0.513E-02 0.143E-01 RMM: 5 -0.387020348924E+03 0.13254E-03 -0.96166E-05 3746 0.273E-02 0.593E-02 RMM: 6 -0.387020338701E+03 0.10223E-04 -0.30882E-05 2840 0.167E-02 3504 T= 6237. E= 0.67780095E+03 F= 0.62620457E+03 E0= 0.65659430E+03 EK= 0.51596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386739965227E+03 0.28038E+00 -0.14425E-01 7524 0.226E+01 0.264E-01 RMM: 2 -0.386757930310E+03 -0.17965E-01 -0.57414E-02 4986 0.600E-01 0.145E+00 RMM: 3 -0.386744142964E+03 0.13787E-01 -0.89143E-03 5331 0.227E-01 0.223E-01 RMM: 4 -0.386743876587E+03 0.26638E-03 -0.93188E-04 4612 0.639E-02 0.115E-01 RMM: 5 -0.386743836873E+03 0.39713E-04 -0.13325E-04 3865 0.298E-02 0.108E-01 RMM: 6 -0.386743766642E+03 0.70231E-04 -0.47035E-05 3146 0.201E-02 0.449E-02 RMM: 7 -0.386743800406E+03 -0.33764E-04 -0.53678E-05 3314 0.205E-02 0.883E-02 RMM: 8 -0.386743753701E+03 0.46705E-04 -0.31210E-05 2758 0.170E-02 0.297E-02 RMM: 9 -0.386743749284E+03 0.44167E-05 -0.93544E-06 2445 0.916E-03 3505 T= 6233. E= 0.67810464E+03 F= 0.62653732E+03 E0= 0.65690882E+03 EK= 0.51567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.386337244596E+03 0.40651E+00 -0.14107E-01 7380 0.227E+01 0.230E-01 RMM: 2 -0.386351451839E+03 -0.14207E-01 -0.56708E-02 4868 0.596E-01 0.124E+00 RMM: 3 -0.386341523263E+03 0.99286E-02 -0.79599E-03 5345 0.214E-01 0.229E-01 RMM: 4 -0.386341216572E+03 0.30669E-03 -0.86019E-04 4616 0.650E-02 0.107E-01 RMM: 5 -0.386341170867E+03 0.45705E-04 -0.12028E-04 3830 0.299E-02 0.933E-02 RMM: 6 -0.386341114498E+03 0.56369E-04 -0.30255E-05 2741 0.171E-02 0.309E-02 RMM: 7 -0.386341124093E+03 -0.95950E-05 -0.31134E-05 2619 0.164E-02 3506 T= 6292. E= 0.67904193E+03 F= 0.62698868E+03 E0= 0.65734303E+03 EK= 0.52053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385791318964E+03 0.54980E+00 -0.14654E-01 7584 0.229E+01 0.195E-01 RMM: 2 -0.385802660762E+03 -0.11342E-01 -0.64140E-02 4879 0.624E-01 0.966E-01 RMM: 3 -0.385796499356E+03 0.61614E-02 -0.74953E-03 5391 0.190E-01 0.164E-01 RMM: 4 -0.385796385813E+03 0.11354E-03 -0.64047E-04 4632 0.567E-02 0.119E-01 RMM: 5 -0.385796308681E+03 0.77132E-04 -0.10642E-04 3794 0.279E-02 0.782E-02 RMM: 6 -0.385796276216E+03 0.32465E-04 -0.29768E-05 2759 0.163E-02 0.428E-02 RMM: 7 -0.385796295059E+03 -0.18843E-04 -0.45883E-05 3127 0.190E-02 3507 T= 6393. E= 0.68046606E+03 F= 0.62757478E+03 E0= 0.65791405E+03 EK= 0.52891E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.385088482714E+03 0.70779E+00 -0.14847E-01 7392 0.232E+01 0.174E-01 RMM: 2 -0.385096556779E+03 -0.80741E-02 -0.63257E-02 4916 0.625E-01 0.686E-01 RMM: 3 -0.385093566751E+03 0.29900E-02 -0.68989E-03 5510 0.175E-01 0.118E-01 RMM: 4 -0.385093577645E+03 -0.10894E-04 -0.47812E-04 4584 0.520E-02 0.159E-01 RMM: 5 -0.385093413307E+03 0.16434E-03 -0.10406E-04 3750 0.286E-02 0.602E-02 RMM: 6 -0.385093397491E+03 0.15816E-04 -0.27783E-05 2694 0.157E-02 3508 T= 6503. E= 0.68210717E+03 F= 0.62831168E+03 E0= 0.65863984E+03 EK= 0.53795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.384220240424E+03 0.87317E+00 -0.15709E-01 7476 0.234E+01 0.199E-01 RMM: 2 -0.384232721808E+03 -0.12481E-01 -0.72226E-02 4901 0.641E-01 0.987E-01 RMM: 3 -0.384226180397E+03 0.65414E-02 -0.84224E-03 5378 0.204E-01 0.182E-01 RMM: 4 -0.384226017575E+03 0.16282E-03 -0.69382E-04 4649 0.565E-02 0.112E-01 RMM: 5 -0.384225943983E+03 0.73593E-04 -0.11157E-04 3854 0.287E-02 0.793E-02 RMM: 6 -0.384225912500E+03 0.31483E-04 -0.41909E-05 3054 0.187E-02 0.525E-02 RMM: 7 -0.384225944171E+03 -0.31671E-04 -0.52664E-05 3284 0.198E-02 0.949E-02 RMM: 8 -0.384225886198E+03 0.57972E-04 -0.42471E-05 3006 0.190E-02 0.271E-02 RMM: 9 -0.384225884433E+03 0.17650E-05 -0.11495E-05 2448 0.998E-03 3509 T= 6581. E= 0.68365199E+03 F= 0.62920625E+03 E0= 0.65952761E+03 EK= 0.54446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.383200876576E+03 0.10250E+01 -0.15869E-01 7356 0.236E+01 0.234E-01 RMM: 2 -0.383216431367E+03 -0.15555E-01 -0.72871E-02 4846 0.669E-01 0.124E+00 RMM: 3 -0.383206569816E+03 0.98616E-02 -0.90076E-03 5400 0.217E-01 0.214E-01 RMM: 4 -0.383206316172E+03 0.25364E-03 -0.93620E-04 4643 0.688E-02 0.127E-01 RMM: 5 -0.383206240759E+03 0.75413E-04 -0.14103E-04 3869 0.321E-02 0.913E-02 RMM: 6 -0.383206187087E+03 0.53672E-04 -0.34851E-05 2899 0.183E-02 0.307E-02 RMM: 7 -0.383206194776E+03 -0.76891E-05 -0.22475E-05 2533 0.142E-02 3510 T= 6601. E= 0.68485778E+03 F= 0.63024649E+03 E0= 0.66056468E+03 EK= 0.54611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.382061398649E+03 0.11448E+01 -0.16105E-01 7608 0.236E+01 0.183E-01 RMM: 2 -0.382072054747E+03 -0.10656E-01 -0.73531E-02 4902 0.649E-01 0.826E-01 RMM: 3 -0.382067464130E+03 0.45906E-02 -0.80891E-03 5474 0.191E-01 0.167E-01 RMM: 4 -0.382067302950E+03 0.16118E-03 -0.55987E-04 4646 0.530E-02 0.101E-01 RMM: 5 -0.382067239537E+03 0.63413E-04 -0.85902E-05 3688 0.251E-02 0.707E-02 RMM: 6 -0.382067219559E+03 0.19978E-04 -0.33182E-05 2819 0.171E-02 3511 T= 6558. E= 0.68565222E+03 F= 0.63139983E+03 E0= 0.66171851E+03 EK= 0.54252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.380851243551E+03 0.12160E+01 -0.16395E-01 7368 0.236E+01 0.287E-01 RMM: 2 -0.380874935930E+03 -0.23692E-01 -0.84858E-02 4805 0.699E-01 0.161E+00 RMM: 3 -0.380857746063E+03 0.17190E-01 -0.12894E-02 5360 0.271E-01 0.266E-01 RMM: 4 -0.380857313406E+03 0.43266E-03 -0.12156E-03 4741 0.706E-02 0.102E-01 RMM: 5 -0.380857288833E+03 0.24573E-04 -0.15261E-04 3907 0.328E-02 0.110E-01 RMM: 6 -0.380857215177E+03 0.73656E-04 -0.51097E-05 3181 0.208E-02 0.439E-02 RMM: 7 -0.380857230422E+03 -0.15245E-04 -0.33365E-05 2801 0.173E-02 3512 T= 6472. E= 0.68615661E+03 F= 0.63261827E+03 E0= 0.66293957E+03 EK= 0.53538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379623051433E+03 0.12342E+01 -0.17131E-01 7704 0.235E+01 0.320E-01 RMM: 2 -0.379651696909E+03 -0.28645E-01 -0.90121E-02 4784 0.743E-01 0.183E+00 RMM: 3 -0.379629955121E+03 0.21742E-01 -0.14254E-02 5362 0.289E-01 0.334E-01 RMM: 4 -0.379629202603E+03 0.75252E-03 -0.15807E-03 4844 0.830E-02 0.102E-01 RMM: 5 -0.379629245394E+03 -0.42792E-04 -0.22036E-04 3907 0.375E-02 0.136E-01 RMM: 6 -0.379629122012E+03 0.12338E-03 -0.64135E-05 3385 0.232E-02 0.358E-02 RMM: 7 -0.379629124431E+03 -0.24190E-05 -0.20007E-05 2541 0.135E-02 3513 T= 6379. E= 0.68661895E+03 F= 0.63384909E+03 E0= 0.66417339E+03 EK= 0.52770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378421694135E+03 0.12074E+01 -0.17360E-01 7584 0.234E+01 0.253E-01 RMM: 2 -0.378440623843E+03 -0.18930E-01 -0.83826E-02 4904 0.686E-01 0.137E+00 RMM: 3 -0.378428157071E+03 0.12467E-01 -0.10568E-02 5376 0.237E-01 0.207E-01 RMM: 4 -0.378427907164E+03 0.24991E-03 -0.94866E-04 4728 0.619E-02 0.106E-01 RMM: 5 -0.378427871604E+03 0.35560E-04 -0.13430E-04 3879 0.313E-02 0.102E-01 RMM: 6 -0.378427803721E+03 0.67884E-04 -0.53906E-05 3238 0.211E-02 0.375E-02 RMM: 7 -0.378427832777E+03 -0.29057E-04 -0.39032E-05 2929 0.179E-02 0.858E-02 RMM: 8 -0.378427790968E+03 0.41809E-04 -0.37642E-05 2620 0.179E-02 0.353E-02 RMM: 9 -0.378427784174E+03 0.67942E-05 -0.12299E-05 2445 0.104E-02 3514 T= 6316. E= 0.68729896E+03 F= 0.63504757E+03 E0= 0.66537524E+03 EK= 0.52251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377275033078E+03 0.11528E+01 -0.17030E-01 7680 0.234E+01 0.183E-01 RMM: 2 -0.377285649683E+03 -0.10617E-01 -0.75316E-02 4917 0.642E-01 0.821E-01 RMM: 3 -0.377281070796E+03 0.45789E-02 -0.76977E-03 5458 0.188E-01 0.157E-01 RMM: 4 -0.377280970648E+03 0.10015E-03 -0.61295E-04 4660 0.551E-02 0.137E-01 RMM: 5 -0.377280880127E+03 0.90521E-04 -0.11796E-04 3846 0.296E-02 0.872E-02 RMM: 6 -0.377280829800E+03 0.50327E-04 -0.36926E-05 2975 0.184E-02 0.328E-02 RMM: 7 -0.377280841008E+03 -0.11208E-04 -0.30374E-05 2587 0.163E-02 3515 T= 6308. E= 0.68837089E+03 F= 0.63618629E+03 E0= 0.66651597E+03 EK= 0.52185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376190201236E+03 0.10906E+01 -0.16674E-01 7776 0.234E+01 0.190E-01 RMM: 2 -0.376200531084E+03 -0.10330E-01 -0.66778E-02 5139 0.609E-01 0.879E-01 RMM: 3 -0.376195352138E+03 0.51789E-02 -0.64817E-03 5455 0.174E-01 0.158E-01 RMM: 4 -0.376195224096E+03 0.12804E-03 -0.52749E-04 4666 0.499E-02 0.107E-01 RMM: 5 -0.376195173627E+03 0.50469E-04 -0.88233E-05 3710 0.247E-02 0.884E-02 RMM: 6 -0.376195129795E+03 0.43832E-04 -0.37962E-05 3034 0.182E-02 0.409E-02 RMM: 7 -0.376195148740E+03 -0.18946E-04 -0.43486E-05 2995 0.184E-02 3516 T= 6359. E= 0.68986511E+03 F= 0.63725869E+03 E0= 0.66758924E+03 EK= 0.52606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375153846197E+03 0.10413E+01 -0.16416E-01 7740 0.236E+01 0.184E-01 RMM: 2 -0.375164238506E+03 -0.10392E-01 -0.69892E-02 5091 0.620E-01 0.857E-01 RMM: 3 -0.375159325170E+03 0.49133E-02 -0.66636E-03 5568 0.169E-01 0.161E-01 RMM: 4 -0.375159195915E+03 0.12925E-03 -0.54261E-04 4633 0.535E-02 0.124E-01 RMM: 5 -0.375159100236E+03 0.95680E-04 -0.98425E-05 3755 0.260E-02 0.702E-02 RMM: 6 -0.375159074320E+03 0.25915E-04 -0.29505E-05 2795 0.166E-02 0.417E-02 RMM: 7 -0.375159086946E+03 -0.12625E-04 -0.30567E-05 2615 0.158E-02 3517 T= 6452. E= 0.69165400E+03 F= 0.63827677E+03 E0= 0.66860544E+03 EK= 0.53377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374145057866E+03 0.10140E+01 -0.16199E-01 7740 0.237E+01 0.202E-01 RMM: 2 -0.374155735980E+03 -0.10678E-01 -0.70560E-02 5189 0.631E-01 0.897E-01 RMM: 3 -0.374150456348E+03 0.52796E-02 -0.70118E-03 5508 0.179E-01 0.173E-01 RMM: 4 -0.374150274949E+03 0.18140E-03 -0.57211E-04 4673 0.512E-02 0.101E-01 RMM: 5 -0.374150229255E+03 0.45694E-04 -0.95385E-05 3753 0.251E-02 0.930E-02 RMM: 6 -0.374150180770E+03 0.48485E-04 -0.41269E-05 3092 0.189E-02 0.427E-02 RMM: 7 -0.374150198531E+03 -0.17760E-04 -0.44865E-05 3099 0.186E-02 3518 T= 6554. E= 0.69348330E+03 F= 0.63926333E+03 E0= 0.66958845E+03 EK= 0.54220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373141174225E+03 0.10090E+01 -0.16152E-01 7680 0.239E+01 0.213E-01 RMM: 2 -0.373153119819E+03 -0.11946E-01 -0.75231E-02 5177 0.656E-01 0.977E-01 RMM: 3 -0.373146907226E+03 0.62126E-02 -0.76026E-03 5524 0.186E-01 0.199E-01 RMM: 4 -0.373146647487E+03 0.25974E-03 -0.66859E-04 4663 0.565E-02 0.103E-01 RMM: 5 -0.373146595451E+03 0.52036E-04 -0.10954E-04 3840 0.264E-02 0.861E-02 RMM: 6 -0.373146554128E+03 0.41323E-04 -0.36285E-05 2980 0.180E-02 0.433E-02 RMM: 7 -0.373146573785E+03 -0.19656E-04 -0.33137E-05 2727 0.167E-02 3519 T= 6626. E= 0.69505358E+03 F= 0.64024058E+03 E0= 0.67055960E+03 EK= 0.54813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372132412535E+03 0.10141E+01 -0.16636E-01 7884 0.239E+01 0.224E-01 RMM: 2 -0.372144887506E+03 -0.12475E-01 -0.76359E-02 5159 0.663E-01 0.101E+00 RMM: 3 -0.372138237600E+03 0.66499E-02 -0.82030E-03 5457 0.198E-01 0.199E-01 RMM: 4 -0.372137987750E+03 0.24985E-03 -0.71837E-04 4694 0.560E-02 0.979E-02 RMM: 5 -0.372137957877E+03 0.29873E-04 -0.11930E-04 3867 0.274E-02 0.101E-01 RMM: 6 -0.372137897063E+03 0.60814E-04 -0.46734E-05 3176 0.200E-02 0.424E-02 RMM: 7 -0.372137917791E+03 -0.20727E-04 -0.38401E-05 2963 0.178E-02 0.785E-02 RMM: 8 -0.372137881372E+03 0.36419E-04 -0.31104E-05 2639 0.166E-02 0.372E-02 RMM: 9 -0.372137873736E+03 0.76358E-05 -0.11414E-05 2452 0.965E-03 3520 T= 6639. E= 0.69613822E+03 F= 0.64121906E+03 E0= 0.67153134E+03 EK= 0.54919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371123395151E+03 0.10145E+01 -0.16556E-01 7824 0.238E+01 0.199E-01 RMM: 2 -0.371134563857E+03 -0.11169E-01 -0.78084E-02 5117 0.661E-01 0.882E-01 RMM: 3 -0.371129457674E+03 0.51062E-02 -0.77569E-03 5553 0.182E-01 0.134E-01 RMM: 4 -0.371129410503E+03 0.47171E-04 -0.60402E-04 4660 0.536E-02 0.147E-01 RMM: 5 -0.371129285207E+03 0.12530E-03 -0.11218E-04 3793 0.269E-02 0.795E-02 RMM: 6 -0.371129248703E+03 0.36504E-04 -0.39978E-05 3060 0.185E-02 0.390E-02 RMM: 7 -0.371129260196E+03 -0.11493E-04 -0.29237E-05 2586 0.157E-02 3521 T= 6587. E= 0.69668557E+03 F= 0.64219364E+03 E0= 0.67249830E+03 EK= 0.54492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370130536799E+03 0.99871E+00 -0.16153E-01 7680 0.236E+01 0.213E-01 RMM: 2 -0.370142126455E+03 -0.11590E-01 -0.73951E-02 5130 0.649E-01 0.953E-01 RMM: 3 -0.370136271439E+03 0.58550E-02 -0.76822E-03 5469 0.187E-01 0.199E-01 RMM: 4 -0.370136018470E+03 0.25297E-03 -0.66712E-04 4699 0.550E-02 0.991E-02 RMM: 5 -0.370135967359E+03 0.51111E-04 -0.10528E-04 3840 0.256E-02 0.836E-02 RMM: 6 -0.370135933436E+03 0.33923E-04 -0.38563E-05 3028 0.180E-02 0.495E-02 RMM: 7 -0.370135963564E+03 -0.30128E-04 -0.49094E-05 3227 0.192E-02 0.911E-02 RMM: 8 -0.370135911194E+03 0.52370E-04 -0.31926E-05 2781 0.173E-02 0.273E-02 RMM: 9 -0.370135908177E+03 0.30165E-05 -0.99237E-06 2442 0.892E-03 3522 T= 6491. E= 0.69684694E+03 F= 0.64314913E+03 E0= 0.67344745E+03 EK= 0.53698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369174633698E+03 0.96128E+00 -0.15843E-01 7452 0.234E+01 0.182E-01 RMM: 2 -0.369184348508E+03 -0.97148E-02 -0.78642E-02 5037 0.654E-01 0.724E-01 RMM: 3 -0.369180934009E+03 0.34145E-02 -0.78991E-03 5717 0.171E-01 0.129E-01 RMM: 4 -0.369180856965E+03 0.77044E-04 -0.54080E-04 4605 0.536E-02 0.154E-01 RMM: 5 -0.369180722265E+03 0.13470E-03 -0.11755E-04 3781 0.285E-02 0.760E-02 RMM: 6 -0.369180688443E+03 0.33822E-04 -0.35973E-05 2992 0.180E-02 0.349E-02 RMM: 7 -0.369180697879E+03 -0.94360E-05 -0.28367E-05 2554 0.154E-02 3523 T= 6387. E= 0.69690230E+03 F= 0.64406265E+03 E0= 0.67435608E+03 EK= 0.52840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368278158227E+03 0.90253E+00 -0.15156E-01 7632 0.232E+01 0.182E-01 RMM: 2 -0.368287522700E+03 -0.93645E-02 -0.71268E-02 5110 0.629E-01 0.742E-01 RMM: 3 -0.368283883978E+03 0.36387E-02 -0.70087E-03 5656 0.165E-01 0.168E-01 RMM: 4 -0.368283693818E+03 0.19016E-03 -0.52108E-04 4605 0.527E-02 0.113E-01 RMM: 5 -0.368283609464E+03 0.84354E-04 -0.93213E-05 3729 0.240E-02 0.666E-02 RMM: 6 -0.368283597581E+03 0.11883E-04 -0.37632E-05 3014 0.181E-02 3524 T= 6314. E= 0.69714541E+03 F= 0.64491427E+03 E0= 0.67520558E+03 EK= 0.52231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367454232090E+03 0.82938E+00 -0.14525E-01 7692 0.231E+01 0.300E-01 RMM: 2 -0.367479379565E+03 -0.25147E-01 -0.78494E-02 5074 0.659E-01 0.172E+00 RMM: 3 -0.367460165188E+03 0.19214E-01 -0.11592E-02 5359 0.254E-01 0.311E-01 RMM: 4 -0.367459548319E+03 0.61687E-03 -0.13653E-03 4638 0.761E-02 0.102E-01 RMM: 5 -0.367459544268E+03 0.40519E-05 -0.20218E-04 3897 0.352E-02 0.118E-01 RMM: 6 -0.367459456174E+03 0.88093E-04 -0.60173E-05 3333 0.224E-02 0.501E-02 RMM: 7 -0.367459468245E+03 -0.12070E-04 -0.38427E-05 2932 0.182E-02 3525 T= 6296. E= 0.69777817E+03 F= 0.64568933E+03 E0= 0.67598146E+03 EK= 0.52089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366713404344E+03 0.74605E+00 -0.14390E-01 7716 0.232E+01 0.283E-01 RMM: 2 -0.366735192120E+03 -0.21788E-01 -0.76656E-02 5104 0.659E-01 0.156E+00 RMM: 3 -0.366719239117E+03 0.15953E-01 -0.10541E-02 5361 0.241E-01 0.323E-01 RMM: 4 -0.366718539196E+03 0.69992E-03 -0.13427E-03 4658 0.784E-02 0.906E-02 RMM: 5 -0.366718563716E+03 -0.24520E-04 -0.19349E-04 3891 0.346E-02 0.124E-01 RMM: 6 -0.366718464036E+03 0.99680E-04 -0.59479E-05 3333 0.225E-02 0.373E-02 RMM: 7 -0.366718478744E+03 -0.14707E-04 -0.26860E-05 2626 0.150E-02 3526 T= 6343. E= 0.69885184E+03 F= 0.64637796E+03 E0= 0.67667375E+03 EK= 0.52474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366062969837E+03 0.65549E+00 -0.15273E-01 7788 0.233E+01 0.269E-01 RMM: 2 -0.366083858470E+03 -0.20889E-01 -0.90993E-02 5030 0.697E-01 0.145E+00 RMM: 3 -0.366069979728E+03 0.13879E-01 -0.11365E-02 5381 0.240E-01 0.234E-01 RMM: 4 -0.366069635255E+03 0.34447E-03 -0.11193E-03 4771 0.654E-02 0.106E-01 RMM: 5 -0.366069619812E+03 0.15443E-04 -0.18032E-04 3889 0.352E-02 3527 T= 6440. E= 0.70025031E+03 F= 0.64697147E+03 E0= 0.67727392E+03 EK= 0.53279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365519586218E+03 0.55005E+00 -0.15296E-01 7872 0.235E+01 0.176E-01 RMM: 2 -0.365529788676E+03 -0.10202E-01 -0.81948E-02 5180 0.629E-01 0.667E-01 RMM: 3 -0.365526453043E+03 0.33356E-02 -0.74236E-03 5509 0.172E-01 0.171E-01 RMM: 4 -0.365526283092E+03 0.16995E-03 -0.58461E-04 4522 0.516E-02 0.125E-01 RMM: 5 -0.365526182901E+03 0.10019E-03 -0.12962E-04 3884 0.287E-02 0.902E-02 RMM: 6 -0.365526157580E+03 0.25322E-04 -0.74657E-05 3589 0.235E-02 0.773E-02 RMM: 7 -0.365526195338E+03 -0.37759E-04 -0.98173E-05 3880 0.247E-02 0.118E-01 RMM: 8 -0.365526105707E+03 0.89631E-04 -0.46161E-05 3186 0.197E-02 0.287E-02 RMM: 9 -0.365526105771E+03 -0.63317E-07 -0.14264E-05 2477 0.108E-02 3528 T= 6558. E= 0.70170907E+03 F= 0.64745690E+03 E0= 0.67776977E+03 EK= 0.54252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365100123225E+03 0.42598E+00 -0.16509E-01 7692 0.238E+01 0.226E-01 RMM: 2 -0.365114550709E+03 -0.14427E-01 -0.10429E-01 4938 0.731E-01 0.937E-01 RMM: 3 -0.365108612095E+03 0.59386E-02 -0.11172E-02 5593 0.205E-01 0.189E-01 RMM: 4 -0.365108464107E+03 0.14799E-03 -0.92322E-04 4662 0.682E-02 0.185E-01 RMM: 5 -0.365108268482E+03 0.19562E-03 -0.20249E-04 3880 0.373E-02 0.881E-02 RMM: 6 -0.365108225147E+03 0.43335E-04 -0.52559E-05 3254 0.212E-02 0.360E-02 RMM: 7 -0.365108236456E+03 -0.11309E-04 -0.22718E-05 2542 0.145E-02 3529 T= 6657. E= 0.70288563E+03 F= 0.64781404E+03 E0= 0.67813987E+03 EK= 0.55072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364836552975E+03 0.27167E+00 -0.16291E-01 8016 0.239E+01 0.168E-01 RMM: 2 -0.364846740072E+03 -0.10187E-01 -0.84356E-02 5199 0.652E-01 0.665E-01 RMM: 3 -0.364843500646E+03 0.32394E-02 -0.75266E-03 5770 0.165E-01 0.144E-01 RMM: 4 -0.364843347351E+03 0.15329E-03 -0.47684E-04 4464 0.499E-02 0.121E-01 RMM: 5 -0.364843244319E+03 0.10303E-03 -0.10788E-04 3856 0.268E-02 0.695E-02 RMM: 6 -0.364843242476E+03 0.18436E-05 -0.46883E-05 3160 0.193E-02 3530 T= 6704. E= 0.70347306E+03 F= 0.64801552E+03 E0= 0.67835698E+03 EK= 0.55458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364753922176E+03 0.89322E-01 -0.16529E-01 7920 0.240E+01 0.307E-01 RMM: 2 -0.364776025078E+03 -0.22103E-01 -0.90508E-02 5077 0.701E-01 0.154E+00 RMM: 3 -0.364760627865E+03 0.15397E-01 -0.12900E-02 5355 0.264E-01 0.268E-01 RMM: 4 -0.364760172309E+03 0.45556E-03 -0.12839E-03 4696 0.698E-02 0.108E-01 RMM: 5 -0.364760174429E+03 -0.21199E-05 -0.19797E-04 3890 0.367E-02 3531 T= 6683. E= 0.70332039E+03 F= 0.64803197E+03 E0= 0.67839051E+03 EK= 0.55288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364872648855E+03 -0.11248E+00 -0.16828E-01 7800 0.239E+01 0.277E-01 RMM: 2 -0.364893755487E+03 -0.21107E-01 -0.86900E-02 5288 0.653E-01 0.146E+00 RMM: 3 -0.364879501577E+03 0.14254E-01 -0.10094E-02 5351 0.233E-01 0.336E-01 RMM: 4 -0.364878778572E+03 0.72301E-03 -0.12322E-03 4648 0.731E-02 0.107E-01 RMM: 5 -0.364878749791E+03 0.28781E-04 -0.18686E-04 3883 0.340E-02 0.119E-01 RMM: 6 -0.364878667221E+03 0.82570E-04 -0.82702E-05 3602 0.252E-02 0.601E-02 RMM: 7 -0.364878731753E+03 -0.64532E-04 -0.81488E-05 3760 0.227E-02 0.123E-01 RMM: 8 -0.364878634710E+03 0.97044E-04 -0.64685E-05 3565 0.223E-02 0.418E-02 RMM: 9 -0.364878625040E+03 0.96695E-05 -0.15472E-05 2491 0.117E-02 3532 T= 6606. E= 0.70249223E+03 F= 0.64784332E+03 E0= 0.67822142E+03 EK= 0.54649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365195489999E+03 -0.31686E+00 -0.17114E-01 7920 0.239E+01 0.244E-01 RMM: 2 -0.365212513857E+03 -0.17024E-01 -0.89040E-02 4948 0.694E-01 0.125E+00 RMM: 3 -0.365202461087E+03 0.10053E-01 -0.97244E-03 5451 0.214E-01 0.226E-01 RMM: 4 -0.365202221666E+03 0.23942E-03 -0.10524E-03 4644 0.713E-02 0.154E-01 RMM: 5 -0.365202105537E+03 0.11613E-03 -0.19589E-04 3872 0.365E-02 0.899E-02 RMM: 6 -0.365202061898E+03 0.43639E-04 -0.49803E-05 3197 0.209E-02 0.399E-02 RMM: 7 -0.365202076746E+03 -0.14848E-04 -0.27244E-05 2604 0.157E-02 3533 T= 6501. E= 0.70123005E+03 F= 0.64744564E+03 E0= 0.67784362E+03 EK= 0.53784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365704767290E+03 -0.50271E+00 -0.16680E-01 7968 0.238E+01 0.179E-01 RMM: 2 -0.365714182960E+03 -0.94157E-02 -0.74725E-02 5302 0.618E-01 0.710E-01 RMM: 3 -0.365710581321E+03 0.36016E-02 -0.63039E-03 5604 0.161E-01 0.128E-01 RMM: 4 -0.365710513500E+03 0.67821E-04 -0.48695E-04 4536 0.481E-02 0.135E-01 RMM: 5 -0.365710414295E+03 0.99205E-04 -0.11066E-04 3861 0.270E-02 0.882E-02 RMM: 6 -0.365710380049E+03 0.34246E-04 -0.52509E-05 3272 0.202E-02 0.601E-02 RMM: 7 -0.365710384477E+03 -0.44277E-05 -0.60142E-05 3510 0.209E-02 3534 T= 6405. E= 0.69984800E+03 F= 0.64685871E+03 E0= 0.67727744E+03 EK= 0.52989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366357349056E+03 -0.64697E+00 -0.16784E-01 7872 0.238E+01 0.195E-01 RMM: 2 -0.366367851273E+03 -0.10502E-01 -0.77833E-02 5110 0.648E-01 0.806E-01 RMM: 3 -0.366363549472E+03 0.43018E-02 -0.77135E-03 5684 0.173E-01 0.183E-01 RMM: 4 -0.366363329344E+03 0.22013E-03 -0.58505E-04 4587 0.547E-02 0.125E-01 RMM: 5 -0.366363272699E+03 0.56645E-04 -0.13901E-04 3854 0.299E-02 0.110E-01 RMM: 6 -0.366363202546E+03 0.70153E-04 -0.64813E-05 3432 0.230E-02 0.474E-02 RMM: 7 -0.366363234390E+03 -0.31844E-04 -0.45537E-05 3096 0.192E-02 0.931E-02 RMM: 8 -0.366363178803E+03 0.55588E-04 -0.25516E-05 2604 0.162E-02 0.283E-02 RMM: 9 -0.366363175515E+03 0.32880E-05 -0.10344E-05 2444 0.883E-03 3535 T= 6346. E= 0.69861716E+03 F= 0.64612272E+03 E0= 0.67656321E+03 EK= 0.52494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367101521864E+03 -0.73834E+00 -0.16722E-01 7896 0.238E+01 0.183E-01 RMM: 2 -0.367111676147E+03 -0.10154E-01 -0.75225E-02 5178 0.632E-01 0.782E-01 RMM: 3 -0.367107504385E+03 0.41718E-02 -0.69755E-03 5717 0.161E-01 0.151E-01 RMM: 4 -0.367107377611E+03 0.12677E-03 -0.54624E-04 4549 0.546E-02 0.140E-01 RMM: 5 -0.367107271710E+03 0.10590E-03 -0.12854E-04 3847 0.297E-02 0.849E-02 RMM: 6 -0.367107233835E+03 0.37875E-04 -0.46057E-05 3193 0.198E-02 0.436E-02 RMM: 7 -0.367107251971E+03 -0.18136E-04 -0.29691E-05 2668 0.159E-02 3536 T= 6335. E= 0.69769614E+03 F= 0.64529086E+03 E0= 0.67575416E+03 EK= 0.52405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367879542066E+03 -0.77231E+00 -0.16740E-01 7572 0.239E+01 0.188E-01 RMM: 2 -0.367887810631E+03 -0.82686E-02 -0.64358E-02 5311 0.591E-01 0.708E-01 RMM: 3 -0.367884525929E+03 0.32847E-02 -0.56829E-03 5690 0.148E-01 0.164E-01 RMM: 4 -0.367884373822E+03 0.15211E-03 -0.46662E-04 4423 0.494E-02 0.134E-01 RMM: 5 -0.367884263387E+03 0.11044E-03 -0.13117E-04 3868 0.306E-02 0.842E-02 RMM: 6 -0.367884247794E+03 0.15593E-04 -0.64924E-05 3436 0.223E-02 3537 T= 6369. E= 0.69711002E+03 F= 0.64442160E+03 E0= 0.67490930E+03 EK= 0.52688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368636554091E+03 -0.75229E+00 -0.17625E-01 7728 0.240E+01 0.302E-01 RMM: 2 -0.368662922655E+03 -0.26369E-01 -0.69199E-02 5276 0.618E-01 0.182E+00 RMM: 3 -0.368641581414E+03 0.21341E-01 -0.10779E-02 5336 0.248E-01 0.289E-01 RMM: 4 -0.368641083209E+03 0.49821E-03 -0.12484E-03 4640 0.707E-02 0.119E-01 RMM: 5 -0.368641064100E+03 0.19109E-04 -0.20144E-04 3884 0.370E-02 0.133E-01 RMM: 6 -0.368640958035E+03 0.10607E-03 -0.76348E-05 3568 0.248E-02 0.563E-02 RMM: 7 -0.368640999000E+03 -0.40965E-04 -0.67153E-05 3466 0.224E-02 0.102E-01 RMM: 8 -0.368640934191E+03 0.64809E-04 -0.35932E-05 3003 0.189E-02 0.399E-02 RMM: 9 -0.368640926770E+03 0.74208E-05 -0.13683E-05 2484 0.108E-02 3538 T= 6430. E= 0.69676324E+03 F= 0.64356834E+03 E0= 0.67408051E+03 EK= 0.53195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369330390929E+03 -0.68946E+00 -0.18057E-01 7488 0.242E+01 0.342E-01 RMM: 2 -0.369364065446E+03 -0.33675E-01 -0.71048E-02 5301 0.642E-01 0.211E+00 RMM: 3 -0.369335073112E+03 0.28992E-01 -0.12150E-02 5328 0.272E-01 0.338E-01 RMM: 4 -0.369334308555E+03 0.76456E-03 -0.15317E-03 4653 0.833E-02 0.124E-01 RMM: 5 -0.369334379573E+03 -0.71017E-04 -0.24973E-04 3890 0.406E-02 0.171E-01 RMM: 6 -0.369334183811E+03 0.19576E-03 -0.95530E-05 3714 0.283E-02 0.388E-02 RMM: 7 -0.369334204392E+03 -0.20581E-04 -0.41047E-05 3063 0.181E-02 0.735E-02 RMM: 8 -0.369334174678E+03 0.29714E-04 -0.25143E-05 2577 0.165E-02 0.374E-02 RMM: 9 -0.369334166256E+03 0.84221E-05 -0.81766E-06 2442 0.847E-03 3539 T= 6493. E= 0.69648522E+03 F= 0.64277425E+03 E0= 0.67331102E+03 EK= 0.53711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369928233953E+03 -0.59406E+00 -0.18536E-01 7788 0.242E+01 0.225E-01 RMM: 2 -0.369941611202E+03 -0.13377E-01 -0.68184E-02 5142 0.617E-01 0.111E+00 RMM: 3 -0.369933569300E+03 0.80419E-02 -0.75484E-03 5350 0.193E-01 0.224E-01 RMM: 4 -0.369933305457E+03 0.26384E-03 -0.82609E-04 4631 0.610E-02 0.113E-01 RMM: 5 -0.369933262499E+03 0.42959E-04 -0.15947E-04 3879 0.325E-02 0.115E-01 RMM: 6 -0.369933188586E+03 0.73913E-04 -0.62318E-05 3399 0.225E-02 0.559E-02 RMM: 7 -0.369933225503E+03 -0.36917E-04 -0.67180E-05 3533 0.220E-02 0.989E-02 RMM: 8 -0.369933163263E+03 0.62240E-04 -0.36112E-05 3015 0.189E-02 0.337E-02 RMM: 9 -0.369933158482E+03 0.47806E-05 -0.11216E-05 2459 0.943E-03 3540 T= 6531. E= 0.69609952E+03 F= 0.64207007E+03 E0= 0.67262963E+03 EK= 0.54029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370415328591E+03 -0.48217E+00 -0.18597E-01 7764 0.242E+01 0.195E-01 RMM: 2 -0.370425722838E+03 -0.10394E-01 -0.67162E-02 5123 0.607E-01 0.887E-01 RMM: 3 -0.370420563446E+03 0.51594E-02 -0.64333E-03 5447 0.166E-01 0.155E-01 RMM: 4 -0.370420508470E+03 0.54976E-04 -0.61256E-04 4604 0.560E-02 0.158E-01 RMM: 5 -0.370420391165E+03 0.11730E-03 -0.15262E-04 3874 0.330E-02 0.101E-01 RMM: 6 -0.370420336103E+03 0.55063E-04 -0.58119E-05 3344 0.219E-02 0.524E-02 RMM: 7 -0.370420365873E+03 -0.29771E-04 -0.45469E-05 3136 0.191E-02 0.897E-02 RMM: 8 -0.370420312437E+03 0.53436E-04 -0.27318E-05 2782 0.169E-02 0.219E-02 RMM: 9 -0.370420312084E+03 0.35291E-06 -0.78575E-06 2439 0.766E-03 3541 T= 6530. E= 0.69549648E+03 F= 0.64147314E+03 E0= 0.67205177E+03 EK= 0.54023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370785618569E+03 -0.36531E+00 -0.18683E-01 7560 0.240E+01 0.180E-01 RMM: 2 -0.370793615419E+03 -0.79968E-02 -0.60151E-02 5204 0.569E-01 0.707E-01 RMM: 3 -0.370790323252E+03 0.32922E-02 -0.51799E-03 5434 0.149E-01 0.153E-01 RMM: 4 -0.370790286185E+03 0.37067E-04 -0.55690E-04 4576 0.549E-02 0.154E-01 RMM: 5 -0.370790145022E+03 0.14116E-03 -0.14570E-04 3879 0.315E-02 0.852E-02 RMM: 6 -0.370790115906E+03 0.29116E-04 -0.47977E-05 3215 0.200E-02 0.592E-02 RMM: 7 -0.370790128796E+03 -0.12890E-04 -0.43446E-05 3098 0.185E-02 3542 T= 6491. E= 0.69468285E+03 F= 0.64098864E+03 E0= 0.67158050E+03 EK= 0.53694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371041145161E+03 -0.25103E+00 -0.19098E-01 7644 0.239E+01 0.199E-01 RMM: 2 -0.371050200209E+03 -0.90550E-02 -0.60335E-02 5209 0.572E-01 0.821E-01 RMM: 3 -0.371045764793E+03 0.44354E-02 -0.54267E-03 5450 0.154E-01 0.171E-01 RMM: 4 -0.371045732983E+03 0.31810E-04 -0.64947E-04 4600 0.597E-02 0.180E-01 RMM: 5 -0.371045544097E+03 0.18889E-03 -0.17423E-04 3882 0.346E-02 0.876E-02 RMM: 6 -0.371045525615E+03 0.18483E-04 -0.63622E-05 3425 0.224E-02 3543 T= 6427. E= 0.69377887E+03 F= 0.64061335E+03 E0= 0.67121186E+03 EK= 0.53166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371188312571E+03 -0.14277E+00 -0.18621E-01 7548 0.237E+01 0.311E-01 RMM: 2 -0.371210393675E+03 -0.22081E-01 -0.72402E-02 5110 0.637E-01 0.163E+00 RMM: 3 -0.371193558220E+03 0.16835E-01 -0.11549E-02 5337 0.257E-01 0.319E-01 RMM: 4 -0.371192936874E+03 0.62135E-03 -0.12970E-03 4642 0.752E-02 0.123E-01 RMM: 5 -0.371192959093E+03 -0.22219E-04 -0.27055E-04 3961 0.431E-02 0.157E-01 RMM: 6 -0.371192809105E+03 0.14999E-03 -0.12202E-04 3874 0.310E-02 0.588E-02 RMM: 7 -0.371192854668E+03 -0.45563E-04 -0.61740E-05 3378 0.216E-02 0.105E-01 RMM: 8 -0.371192791011E+03 0.63657E-04 -0.32587E-05 2857 0.183E-02 0.462E-02 RMM: 9 -0.371192779268E+03 0.11743E-04 -0.12932E-05 2482 0.107E-02 3544 T= 6362. E= 0.69296910E+03 F= 0.64034087E+03 E0= 0.67093809E+03 EK= 0.52628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371236460889E+03 -0.43670E-01 -0.17935E-01 7680 0.235E+01 0.319E-01 RMM: 2 -0.371261868725E+03 -0.25408E-01 -0.73012E-02 5132 0.637E-01 0.178E+00 RMM: 3 -0.371241605466E+03 0.20263E-01 -0.11594E-02 5332 0.260E-01 0.311E-01 RMM: 4 -0.371241027442E+03 0.57802E-03 -0.14731E-03 4653 0.815E-02 0.144E-01 RMM: 5 -0.371241029234E+03 -0.17919E-05 -0.25407E-04 3922 0.413E-02 0.164E-01 RMM: 6 -0.371240865895E+03 0.16334E-03 -0.98926E-05 3726 0.287E-02 0.469E-02 RMM: 7 -0.371240897570E+03 -0.31675E-04 -0.48618E-05 3190 0.193E-02 0.883E-02 RMM: 8 -0.371240853507E+03 0.44063E-04 -0.31005E-05 2721 0.181E-02 0.376E-02 RMM: 9 -0.371240845541E+03 0.79657E-05 -0.94822E-06 2453 0.931E-03 3545 T= 6319. E= 0.69243336E+03 F= 0.64016231E+03 E0= 0.67075006E+03 EK= 0.52271E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371193496496E+03 0.47357E-01 -0.17542E-01 7764 0.233E+01 0.262E-01 RMM: 2 -0.371211387217E+03 -0.17891E-01 -0.73772E-02 5234 0.623E-01 0.137E+00 RMM: 3 -0.371198960643E+03 0.12427E-01 -0.82873E-03 5396 0.204E-01 0.226E-01 RMM: 4 -0.371198749497E+03 0.21115E-03 -0.10372E-03 4617 0.703E-02 0.169E-01 RMM: 5 -0.371198650596E+03 0.98901E-04 -0.22497E-04 3887 0.394E-02 0.139E-01 RMM: 6 -0.371198540925E+03 0.10967E-03 -0.87030E-05 3625 0.267E-02 0.575E-02 RMM: 7 -0.371198592814E+03 -0.51889E-04 -0.77038E-05 3598 0.235E-02 0.111E-01 RMM: 8 -0.371198516361E+03 0.76452E-04 -0.38780E-05 3076 0.197E-02 0.316E-02 RMM: 9 -0.371198513164E+03 0.31972E-05 -0.10325E-05 2462 0.895E-03 3546 T= 6312. E= 0.69228725E+03 F= 0.64006920E+03 E0= 0.67063985E+03 EK= 0.52218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371065759577E+03 0.13276E+00 -0.17237E-01 8076 0.232E+01 0.218E-01 RMM: 2 -0.371078121152E+03 -0.12362E-01 -0.79987E-02 5160 0.638E-01 0.945E-01 RMM: 3 -0.371071908900E+03 0.62123E-02 -0.78623E-03 5493 0.187E-01 0.168E-01 RMM: 4 -0.371071885083E+03 0.23818E-04 -0.78228E-04 4646 0.626E-02 0.187E-01 RMM: 5 -0.371071693928E+03 0.19115E-03 -0.20046E-04 3887 0.374E-02 0.104E-01 RMM: 6 -0.371071645447E+03 0.48481E-04 -0.74884E-05 3526 0.247E-02 0.641E-02 RMM: 7 -0.371071687496E+03 -0.42049E-04 -0.56338E-05 3303 0.207E-02 0.107E-01 RMM: 8 -0.371071613534E+03 0.73962E-04 -0.35602E-05 2983 0.190E-02 0.229E-02 RMM: 9 -0.371071613072E+03 0.46228E-06 -0.90703E-06 2450 0.830E-03 3547 T= 6345. E= 0.69254758E+03 F= 0.64005622E+03 E0= 0.67060265E+03 EK= 0.52491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370855242076E+03 0.21637E+00 -0.17479E-01 8256 0.232E+01 0.214E-01 RMM: 2 -0.370868682873E+03 -0.13441E-01 -0.93472E-02 5083 0.688E-01 0.933E-01 RMM: 3 -0.370862728061E+03 0.59548E-02 -0.91321E-03 5714 0.191E-01 0.169E-01 RMM: 4 -0.370862631652E+03 0.96409E-04 -0.80626E-04 4635 0.668E-02 0.184E-01 RMM: 5 -0.370862438363E+03 0.19329E-03 -0.21691E-04 3892 0.395E-02 0.955E-02 RMM: 6 -0.370862412617E+03 0.25746E-04 -0.76016E-05 3538 0.246E-02 0.760E-02 RMM: 7 -0.370862431048E+03 -0.18431E-04 -0.60135E-05 3362 0.214E-02 3548 T= 6407. E= 0.69312694E+03 F= 0.64012160E+03 E0= 0.67063767E+03 EK= 0.53005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370563369720E+03 0.29904E+00 -0.17403E-01 8616 0.233E+01 0.221E-01 RMM: 2 -0.370576965340E+03 -0.13596E-01 -0.96320E-02 5144 0.688E-01 0.917E-01 RMM: 3 -0.370570911719E+03 0.60536E-02 -0.86437E-03 5602 0.190E-01 0.189E-01 RMM: 4 -0.370570816622E+03 0.95097E-04 -0.83817E-04 4648 0.671E-02 0.189E-01 RMM: 5 -0.370570626373E+03 0.19025E-03 -0.23005E-04 3891 0.396E-02 0.116E-01 RMM: 6 -0.370570577697E+03 0.48676E-04 -0.10325E-04 3814 0.281E-02 0.830E-02 RMM: 7 -0.370570616273E+03 -0.38576E-04 -0.83415E-05 3666 0.245E-02 0.118E-01 RMM: 8 -0.370570529047E+03 0.87227E-04 -0.44766E-05 3166 0.205E-02 0.318E-02 RMM: 9 -0.370570526940E+03 0.21068E-05 -0.11858E-05 2468 0.971E-03 3549 T= 6478. E= 0.69385574E+03 F= 0.64026620E+03 E0= 0.67074698E+03 EK= 0.53590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370186213650E+03 0.38432E+00 -0.17803E-01 8520 0.233E+01 0.226E-01 RMM: 2 -0.370202551152E+03 -0.16338E-01 -0.10371E-01 5031 0.710E-01 0.108E+00 RMM: 3 -0.370194251978E+03 0.82992E-02 -0.94706E-03 5582 0.206E-01 0.169E-01 RMM: 4 -0.370194185544E+03 0.66434E-04 -0.86007E-04 4666 0.649E-02 0.182E-01 RMM: 5 -0.370194002420E+03 0.18312E-03 -0.20799E-04 3888 0.389E-02 0.103E-01 RMM: 6 -0.370193953363E+03 0.49057E-04 -0.86487E-05 3631 0.262E-02 0.614E-02 RMM: 7 -0.370193988004E+03 -0.34640E-04 -0.50878E-05 3221 0.199E-02 0.993E-02 RMM: 8 -0.370193925605E+03 0.62399E-04 -0.35395E-05 2953 0.190E-02 0.248E-02 RMM: 9 -0.370193923497E+03 0.21076E-05 -0.75695E-06 2446 0.778E-03 3550 T= 6532. E= 0.69453324E+03 F= 0.64049217E+03 E0= 0.67093433E+03 EK= 0.54041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369722827424E+03 0.47110E+00 -0.18292E-01 8568 0.233E+01 0.213E-01 RMM: 2 -0.369735908649E+03 -0.13081E-01 -0.98209E-02 5257 0.672E-01 0.849E-01 RMM: 3 -0.369730246158E+03 0.56625E-02 -0.72988E-03 5528 0.182E-01 0.178E-01 RMM: 4 -0.369730205630E+03 0.40528E-04 -0.81474E-04 4649 0.654E-02 0.193E-01 RMM: 5 -0.369730015009E+03 0.19062E-03 -0.23667E-04 3904 0.408E-02 0.120E-01 RMM: 6 -0.369729946745E+03 0.68264E-04 -0.85008E-05 3634 0.257E-02 0.689E-02 RMM: 7 -0.369729976441E+03 -0.29696E-04 -0.76411E-05 3667 0.233E-02 0.102E-01 RMM: 8 -0.369729910458E+03 0.65983E-04 -0.37011E-05 3081 0.189E-02 0.268E-02 RMM: 9 -0.369729909231E+03 0.12271E-05 -0.94393E-06 2454 0.852E-03 3551 T= 6551. E= 0.69499803E+03 F= 0.64080214E+03 E0= 0.67120441E+03 EK= 0.54196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369170800373E+03 0.55911E+00 -0.18510E-01 8580 0.233E+01 0.226E-01 RMM: 2 -0.369185525820E+03 -0.14725E-01 -0.10742E-01 5105 0.712E-01 0.933E-01 RMM: 3 -0.369179027827E+03 0.64980E-02 -0.91461E-03 5726 0.198E-01 0.171E-01 RMM: 4 -0.369178978393E+03 0.49434E-04 -0.81412E-04 4648 0.656E-02 0.197E-01 RMM: 5 -0.369178758218E+03 0.22017E-03 -0.21936E-04 3892 0.394E-02 0.105E-01 RMM: 6 -0.369178710059E+03 0.48159E-04 -0.86889E-05 3609 0.261E-02 0.675E-02 RMM: 7 -0.369178748842E+03 -0.38782E-04 -0.60179E-05 3366 0.212E-02 0.107E-01 RMM: 8 -0.369178675369E+03 0.73473E-04 -0.38082E-05 3036 0.195E-02 0.250E-02 RMM: 9 -0.369178673781E+03 0.15883E-05 -0.89445E-06 2455 0.840E-03 3552 T= 6527. E= 0.69519178E+03 F= 0.64119568E+03 E0= 0.67155957E+03 EK= 0.53996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368541452375E+03 0.63722E+00 -0.18187E-01 8628 0.233E+01 0.214E-01 RMM: 2 -0.368554592856E+03 -0.13140E-01 -0.10158E-01 5247 0.684E-01 0.825E-01 RMM: 3 -0.368549017949E+03 0.55749E-02 -0.74296E-03 5608 0.184E-01 0.178E-01 RMM: 4 -0.368549042169E+03 -0.24220E-04 -0.85864E-04 4656 0.690E-02 0.211E-01 RMM: 5 -0.368548795569E+03 0.24660E-03 -0.23621E-04 3898 0.397E-02 0.118E-01 RMM: 6 -0.368548723145E+03 0.72424E-04 -0.82716E-05 3602 0.258E-02 0.602E-02 RMM: 7 -0.368548765048E+03 -0.41903E-04 -0.69067E-05 3530 0.223E-02 0.105E-01 RMM: 8 -0.368548693082E+03 0.71966E-04 -0.36930E-05 3024 0.192E-02 0.241E-02 RMM: 9 -0.368548692121E+03 0.96072E-06 -0.91299E-06 2451 0.834E-03 3553 T= 6470. E= 0.69518493E+03 F= 0.64166405E+03 E0= 0.67199372E+03 EK= 0.53521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367855478158E+03 0.69321E+00 -0.17532E-01 8796 0.232E+01 0.239E-01 RMM: 2 -0.367869125671E+03 -0.13648E-01 -0.99781E-02 5257 0.680E-01 0.913E-01 RMM: 3 -0.367862686956E+03 0.64387E-02 -0.76105E-03 5642 0.188E-01 0.189E-01 RMM: 4 -0.367862725171E+03 -0.38215E-04 -0.92955E-04 4660 0.706E-02 0.222E-01 RMM: 5 -0.367862435367E+03 0.28980E-03 -0.21769E-04 3886 0.370E-02 0.117E-01 RMM: 6 -0.367862368558E+03 0.66809E-04 -0.84230E-05 3600 0.257E-02 0.646E-02 RMM: 7 -0.367862408035E+03 -0.39477E-04 -0.69261E-05 3529 0.220E-02 0.106E-01 RMM: 8 -0.367862335780E+03 0.72255E-04 -0.41566E-05 3082 0.198E-02 0.287E-02 RMM: 9 -0.367862332372E+03 0.34082E-05 -0.96429E-06 2454 0.877E-03 3554 T= 6402. E= 0.69514299E+03 F= 0.64218475E+03 E0= 0.67248746E+03 EK= 0.52958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367146184007E+03 0.71615E+00 -0.17211E-01 8904 0.232E+01 0.238E-01 RMM: 2 -0.367159228611E+03 -0.13045E-01 -0.99708E-02 5336 0.678E-01 0.862E-01 RMM: 3 -0.367153349926E+03 0.58787E-02 -0.71297E-03 5714 0.179E-01 0.194E-01 RMM: 4 -0.367153409150E+03 -0.59224E-04 -0.93342E-04 4655 0.717E-02 0.237E-01 RMM: 5 -0.367153084611E+03 0.32454E-03 -0.25146E-04 3890 0.400E-02 0.120E-01 RMM: 6 -0.367153006084E+03 0.78527E-04 -0.76946E-05 3544 0.251E-02 0.584E-02 RMM: 7 -0.367153052411E+03 -0.46327E-04 -0.74954E-05 3652 0.224E-02 0.109E-01 RMM: 8 -0.367152976045E+03 0.76366E-04 -0.42449E-05 3110 0.200E-02 0.284E-02 RMM: 9 -0.367152973395E+03 0.26495E-05 -0.10300E-05 2458 0.898E-03 3555 T= 6350. E= 0.69525792E+03 F= 0.64272456E+03 E0= 0.67300923E+03 EK= 0.52533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366458178151E+03 0.69480E+00 -0.16854E-01 8652 0.232E+01 0.259E-01 RMM: 2 -0.366472637317E+03 -0.14459E-01 -0.10005E-01 5355 0.691E-01 0.100E+00 RMM: 3 -0.366465294162E+03 0.73432E-02 -0.77828E-03 5677 0.188E-01 0.197E-01 RMM: 4 -0.366465350925E+03 -0.56763E-04 -0.10602E-03 4663 0.756E-02 0.240E-01 RMM: 5 -0.366465017467E+03 0.33346E-03 -0.24959E-04 3899 0.394E-02 0.124E-01 RMM: 6 -0.366464936392E+03 0.81075E-04 -0.80461E-05 3566 0.251E-02 0.610E-02 RMM: 7 -0.366464976137E+03 -0.39745E-04 -0.72374E-05 3600 0.224E-02 0.105E-01 RMM: 8 -0.366464905043E+03 0.71094E-04 -0.41112E-05 3079 0.196E-02 0.294E-02 RMM: 9 -0.366464902078E+03 0.29644E-05 -0.10382E-05 2459 0.904E-03 3556 T= 6338. E= 0.69567148E+03 F= 0.64323964E+03 E0= 0.67351655E+03 EK= 0.52432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365845892178E+03 0.61901E+00 -0.16655E-01 8532 0.233E+01 0.250E-01 RMM: 2 -0.365858461971E+03 -0.12570E-01 -0.95337E-02 5416 0.675E-01 0.883E-01 RMM: 3 -0.365852695248E+03 0.57667E-02 -0.70359E-03 5657 0.178E-01 0.204E-01 RMM: 4 -0.365852766738E+03 -0.71490E-04 -0.96230E-04 4648 0.722E-02 0.247E-01 RMM: 5 -0.365852408145E+03 0.35859E-03 -0.24959E-04 3891 0.391E-02 0.124E-01 RMM: 6 -0.365852322635E+03 0.85510E-04 -0.81690E-05 3578 0.257E-02 0.578E-02 RMM: 7 -0.365852371052E+03 -0.48417E-04 -0.72449E-05 3602 0.221E-02 0.110E-01 RMM: 8 -0.365852292802E+03 0.78250E-04 -0.42941E-05 3105 0.200E-02 0.312E-02 RMM: 9 -0.365852289350E+03 0.34518E-05 -0.11563E-05 2468 0.958E-03 3557 T= 6376. E= 0.69641946E+03 F= 0.64367644E+03 E0= 0.67395504E+03 EK= 0.52743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365370225461E+03 0.48207E+00 -0.16931E-01 8196 0.234E+01 0.270E-01 RMM: 2 -0.365385290356E+03 -0.15065E-01 -0.95295E-02 5381 0.687E-01 0.109E+00 RMM: 3 -0.365377064808E+03 0.82255E-02 -0.79986E-03 5629 0.188E-01 0.205E-01 RMM: 4 -0.365377073747E+03 -0.89387E-05 -0.11073E-03 4651 0.775E-02 0.238E-01 RMM: 5 -0.365376768756E+03 0.30499E-03 -0.25930E-04 3900 0.404E-02 0.137E-01 RMM: 6 -0.365376665279E+03 0.10348E-03 -0.91136E-05 3643 0.267E-02 0.609E-02 RMM: 7 -0.365376708299E+03 -0.43020E-04 -0.75826E-05 3589 0.232E-02 0.106E-01 RMM: 8 -0.365376634349E+03 0.73950E-04 -0.42278E-05 3121 0.200E-02 0.306E-02 RMM: 9 -0.365376631007E+03 0.33421E-05 -0.10376E-05 2461 0.908E-03 3558 T= 6459. E= 0.69740345E+03 F= 0.64397408E+03 E0= 0.67426237E+03 EK= 0.53429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365090589863E+03 0.28604E+00 -0.17221E-01 7992 0.236E+01 0.254E-01 RMM: 2 -0.365103217544E+03 -0.12628E-01 -0.89721E-02 5329 0.674E-01 0.941E-01 RMM: 3 -0.365097102537E+03 0.61150E-02 -0.76024E-03 5597 0.184E-01 0.200E-01 RMM: 4 -0.365097135556E+03 -0.33019E-04 -0.95567E-04 4641 0.716E-02 0.236E-01 RMM: 5 -0.365096830092E+03 0.30546E-03 -0.25346E-04 3912 0.401E-02 0.133E-01 RMM: 6 -0.365096731911E+03 0.98182E-04 -0.10151E-04 3750 0.282E-02 0.608E-02 RMM: 7 -0.365096787363E+03 -0.55452E-04 -0.72188E-05 3543 0.225E-02 0.116E-01 RMM: 8 -0.365096701655E+03 0.85707E-04 -0.41550E-05 3104 0.201E-02 0.326E-02 RMM: 9 -0.365096697234E+03 0.44208E-05 -0.10908E-05 2466 0.935E-03 3559 T= 6566. E= 0.69839440E+03 F= 0.64407413E+03 E0= 0.67437666E+03 EK= 0.54320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365050157673E+03 0.46544E-01 -0.17553E-01 7884 0.238E+01 0.264E-01 RMM: 2 -0.365064874261E+03 -0.14717E-01 -0.87245E-02 5299 0.678E-01 0.112E+00 RMM: 3 -0.365056496184E+03 0.83781E-02 -0.78230E-03 5539 0.187E-01 0.198E-01 RMM: 4 -0.365056478251E+03 0.17934E-04 -0.10452E-03 4642 0.756E-02 0.222E-01 RMM: 5 -0.365056230842E+03 0.24741E-03 -0.27020E-04 3914 0.425E-02 0.140E-01 RMM: 6 -0.365056125000E+03 0.10584E-03 -0.10533E-04 3743 0.285E-02 0.656E-02 RMM: 7 -0.365056170411E+03 -0.45410E-04 -0.76577E-05 3567 0.236E-02 0.111E-01 RMM: 8 -0.365056090998E+03 0.79413E-04 -0.41132E-05 3129 0.201E-02 0.293E-02 RMM: 9 -0.365056088200E+03 0.27973E-05 -0.93408E-06 2459 0.855E-03 3560 T= 6666. E= 0.69907805E+03 F= 0.64393287E+03 E0= 0.67425096E+03 EK= 0.55145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365265056102E+03 -0.20897E+00 -0.17938E-01 7824 0.240E+01 0.252E-01 RMM: 2 -0.365278385888E+03 -0.13330E-01 -0.91756E-02 5230 0.699E-01 0.982E-01 RMM: 3 -0.365271896150E+03 0.64897E-02 -0.85516E-03 5531 0.193E-01 0.197E-01 RMM: 4 -0.365271838351E+03 0.57799E-04 -0.93170E-04 4665 0.704E-02 0.212E-01 RMM: 5 -0.365271613174E+03 0.22518E-03 -0.27195E-04 3938 0.431E-02 0.139E-01 RMM: 6 -0.365271514098E+03 0.99076E-04 -0.12770E-04 3870 0.311E-02 0.719E-02 RMM: 7 -0.365271572736E+03 -0.58638E-04 -0.78552E-05 3598 0.238E-02 0.124E-01 RMM: 8 -0.365271473931E+03 0.98804E-04 -0.42542E-05 3149 0.205E-02 0.293E-02 RMM: 9 -0.365271471738E+03 0.21935E-05 -0.10653E-05 2468 0.912E-03 3561 T= 6723. E= 0.69914810E+03 F= 0.64353294E+03 E0= 0.67386389E+03 EK= 0.55615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365716850551E+03 -0.44538E+00 -0.18385E-01 7764 0.241E+01 0.249E-01 RMM: 2 -0.365731716263E+03 -0.14866E-01 -0.99267E-02 5249 0.718E-01 0.103E+00 RMM: 3 -0.365724397117E+03 0.73191E-02 -0.91014E-03 5615 0.190E-01 0.191E-01 RMM: 4 -0.365724282574E+03 0.11454E-03 -0.96737E-04 4702 0.732E-02 0.204E-01 RMM: 5 -0.365724055580E+03 0.22699E-03 -0.28253E-04 3954 0.447E-02 0.127E-01 RMM: 6 -0.365723995360E+03 0.60220E-04 -0.12355E-04 3863 0.301E-02 0.879E-02 RMM: 7 -0.365724024156E+03 -0.28796E-04 -0.77553E-05 3604 0.239E-02 0.116E-01 RMM: 8 -0.365723937374E+03 0.86782E-04 -0.42421E-05 3172 0.201E-02 0.274E-02 RMM: 9 -0.365723937598E+03 -0.22397E-06 -0.10497E-05 2465 0.896E-03 3562 T= 6713. E= 0.69842619E+03 F= 0.64289213E+03 E0= 0.67323078E+03 EK= 0.55534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366352258393E+03 -0.62832E+00 -0.18968E-01 7932 0.240E+01 0.249E-01 RMM: 2 -0.366366802855E+03 -0.14544E-01 -0.10519E-01 5222 0.738E-01 0.968E-01 RMM: 3 -0.366360350857E+03 0.64520E-02 -0.99061E-03 5646 0.199E-01 0.201E-01 RMM: 4 -0.366360194469E+03 0.15639E-03 -0.91811E-04 4686 0.698E-02 0.203E-01 RMM: 5 -0.366359974223E+03 0.22025E-03 -0.28972E-04 3986 0.455E-02 0.131E-01 RMM: 6 -0.366359908324E+03 0.65898E-04 -0.14610E-04 3881 0.327E-02 0.926E-02 RMM: 7 -0.366359948645E+03 -0.40320E-04 -0.84575E-05 3714 0.249E-02 0.126E-01 RMM: 8 -0.366359844790E+03 0.10385E-03 -0.43534E-05 3182 0.202E-02 0.283E-02 RMM: 9 -0.366359845648E+03 -0.85740E-06 -0.12780E-05 2481 0.993E-03 3563 T= 6635. E= 0.69695198E+03 F= 0.64206268E+03 E0= 0.67240206E+03 EK= 0.54889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367099802759E+03 -0.73996E+00 -0.18658E-01 8100 0.238E+01 0.243E-01 RMM: 2 -0.367113505993E+03 -0.13703E-01 -0.97804E-02 5257 0.702E-01 0.943E-01 RMM: 3 -0.367107272585E+03 0.62334E-02 -0.86239E-03 5673 0.186E-01 0.195E-01 RMM: 4 -0.367107142021E+03 0.13056E-03 -0.88637E-04 4664 0.702E-02 0.202E-01 RMM: 5 -0.367106894314E+03 0.24771E-03 -0.29568E-04 3996 0.463E-02 0.117E-01 RMM: 6 -0.367106875129E+03 0.19185E-04 -0.13765E-04 3877 0.315E-02 3564 T= 6511. E= 0.69498211E+03 F= 0.64111560E+03 E0= 0.67144970E+03 EK= 0.53867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367885616713E+03 -0.77872E+00 -0.17885E-01 8148 0.236E+01 0.413E-01 RMM: 2 -0.367923513091E+03 -0.37896E-01 -0.10248E-01 5304 0.727E-01 0.218E+00 RMM: 3 -0.367892181236E+03 0.31332E-01 -0.16842E-02 5329 0.315E-01 0.362E-01 RMM: 4 -0.367891479355E+03 0.70188E-03 -0.19693E-03 4750 0.900E-02 0.191E-01 RMM: 5 -0.367891456519E+03 0.22836E-04 -0.52676E-04 4593 0.599E-02 0.222E-01 RMM: 6 -0.367891180446E+03 0.27607E-03 -0.28134E-04 3902 0.443E-02 0.103E-01 RMM: 7 -0.367891295665E+03 -0.11522E-03 -0.18085E-04 3902 0.356E-02 0.170E-01 RMM: 8 -0.367891116481E+03 0.17918E-03 -0.98878E-05 3810 0.291E-02 0.560E-02 RMM: 9 -0.367891101837E+03 0.14643E-04 -0.19686E-05 2578 0.129E-02 3565 T= 6379. E= 0.69289516E+03 F= 0.64012394E+03 E0= 0.67044646E+03 EK= 0.52771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368641071880E+03 -0.74996E+00 -0.17625E-01 8244 0.234E+01 0.358E-01 RMM: 2 -0.368672846799E+03 -0.31775E-01 -0.98339E-02 5201 0.699E-01 0.194E+00 RMM: 3 -0.368648002158E+03 0.24845E-01 -0.14085E-02 5337 0.284E-01 0.373E-01 RMM: 4 -0.368647167794E+03 0.83436E-03 -0.18944E-03 4780 0.932E-02 0.169E-01 RMM: 5 -0.368647219029E+03 -0.51235E-04 -0.41870E-04 4478 0.538E-02 0.205E-01 RMM: 6 -0.368646939208E+03 0.27982E-03 -0.16242E-04 3880 0.339E-02 0.547E-02 RMM: 7 -0.368647012588E+03 -0.73379E-04 -0.92556E-05 3720 0.249E-02 0.123E-01 RMM: 8 -0.368646914607E+03 0.97981E-04 -0.47429E-05 3219 0.213E-02 0.289E-02 RMM: 9 -0.368646911433E+03 0.31736E-05 -0.91259E-06 2465 0.841E-03 3566 T= 6275. E= 0.69106562E+03 F= 0.63915304E+03 E0= 0.66946179E+03 EK= 0.51913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369318990073E+03 -0.67208E+00 -0.17613E-01 8232 0.233E+01 0.337E-01 RMM: 2 -0.369344031309E+03 -0.25041E-01 -0.10093E-01 5216 0.710E-01 0.164E+00 RMM: 3 -0.369325942316E+03 0.18089E-01 -0.11861E-02 5351 0.251E-01 0.280E-01 RMM: 4 -0.369325650049E+03 0.29227E-03 -0.16013E-03 4705 0.866E-02 0.212E-01 RMM: 5 -0.369325490746E+03 0.15930E-03 -0.42065E-04 4463 0.534E-02 0.181E-01 RMM: 6 -0.369325305555E+03 0.18519E-03 -0.16679E-04 3889 0.341E-02 0.803E-02 RMM: 7 -0.369325363945E+03 -0.58391E-04 -0.11541E-04 3877 0.289E-02 0.129E-01 RMM: 8 -0.369325259659E+03 0.10429E-03 -0.55344E-05 3350 0.222E-02 0.384E-02 RMM: 9 -0.369325253972E+03 0.56867E-05 -0.11426E-05 2484 0.955E-03 3567 T= 6227. E= 0.68976445E+03 F= 0.63825241E+03 E0= 0.66854617E+03 EK= 0.51512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369888619651E+03 -0.56336E+00 -0.17552E-01 8172 0.233E+01 0.273E-01 RMM: 2 -0.369903007407E+03 -0.14388E-01 -0.10626E-01 5254 0.697E-01 0.947E-01 RMM: 3 -0.369896291500E+03 0.67159E-02 -0.90845E-03 5556 0.199E-01 0.191E-01 RMM: 4 -0.369896506011E+03 -0.21451E-03 -0.10878E-03 4675 0.757E-02 0.292E-01 RMM: 5 -0.369895979779E+03 0.52623E-03 -0.36581E-04 4227 0.499E-02 0.119E-01 RMM: 6 -0.369895938688E+03 0.41091E-04 -0.14240E-04 3880 0.316E-02 0.937E-02 RMM: 7 -0.369895961341E+03 -0.22652E-04 -0.74795E-05 3605 0.241E-02 0.117E-01 RMM: 8 -0.369895874641E+03 0.86700E-04 -0.37890E-05 3082 0.189E-02 0.295E-02 RMM: 9 -0.369895873822E+03 0.81886E-06 -0.12552E-05 2475 0.982E-03 3568 T= 6244. E= 0.68910786E+03 F= 0.63745332E+03 E0= 0.66773341E+03 EK= 0.51655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370340295786E+03 -0.44442E+00 -0.18170E-01 8304 0.233E+01 0.270E-01 RMM: 2 -0.370356393961E+03 -0.16098E-01 -0.12178E-01 5122 0.754E-01 0.953E-01 RMM: 3 -0.370349456184E+03 0.69378E-02 -0.10538E-02 5655 0.207E-01 0.192E-01 RMM: 4 -0.370349621967E+03 -0.16578E-03 -0.12289E-03 4758 0.830E-02 0.288E-01 RMM: 5 -0.370349123080E+03 0.49889E-03 -0.39906E-04 4353 0.520E-02 0.126E-01 RMM: 6 -0.370349065791E+03 0.57289E-04 -0.12895E-04 3885 0.298E-02 0.901E-02 RMM: 7 -0.370349073785E+03 -0.79936E-05 -0.75816E-05 3591 0.240E-02 3569 T= 6319. E= 0.68904554E+03 F= 0.63676673E+03 E0= 0.66703631E+03 EK= 0.52279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370683933972E+03 -0.33487E+00 -0.17674E-01 8652 0.234E+01 0.290E-01 RMM: 2 -0.370697525589E+03 -0.13592E-01 -0.10908E-01 5232 0.714E-01 0.875E-01 RMM: 3 -0.370691869240E+03 0.56563E-02 -0.90927E-03 5660 0.195E-01 0.211E-01 RMM: 4 -0.370692230154E+03 -0.36091E-03 -0.12199E-03 4682 0.832E-02 0.344E-01 RMM: 5 -0.370691482183E+03 0.74797E-03 -0.48995E-04 4514 0.571E-02 0.123E-01 RMM: 6 -0.370691470491E+03 0.11693E-04 -0.18311E-04 3892 0.344E-02 3570 T= 6430. E= 0.68937831E+03 F= 0.63618712E+03 E0= 0.66645074E+03 EK= 0.53191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370936176301E+03 -0.24469E+00 -0.17781E-01 8472 0.235E+01 0.398E-01 RMM: 2 -0.370974233804E+03 -0.38058E-01 -0.11784E-01 5130 0.773E-01 0.212E+00 RMM: 3 -0.370944214603E+03 0.30019E-01 -0.16464E-02 5361 0.306E-01 0.359E-01 RMM: 4 -0.370943541115E+03 0.67349E-03 -0.21158E-03 4934 0.972E-02 0.199E-01 RMM: 5 -0.370943552448E+03 -0.11333E-04 -0.54500E-04 4589 0.594E-02 0.231E-01 RMM: 6 -0.370943241509E+03 0.31094E-03 -0.25372E-04 3903 0.419E-02 0.873E-02 RMM: 7 -0.370943330667E+03 -0.89158E-04 -0.13573E-04 3869 0.308E-02 0.148E-01 RMM: 8 -0.370943194637E+03 0.13603E-03 -0.68292E-05 3508 0.247E-02 0.496E-02 RMM: 9 -0.370943182795E+03 0.11842E-04 -0.14986E-05 2521 0.114E-02 3571 T= 6541. E= 0.68980406E+03 F= 0.63569498E+03 E0= 0.66595540E+03 EK= 0.54109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371128245759E+03 -0.18505E+00 -0.18042E-01 8328 0.237E+01 0.405E-01 RMM: 2 -0.371170935133E+03 -0.42689E-01 -0.10905E-01 5188 0.744E-01 0.230E+00 RMM: 3 -0.371135325580E+03 0.35610E-01 -0.15976E-02 5349 0.306E-01 0.359E-01 RMM: 4 -0.371134684147E+03 0.64143E-03 -0.23456E-03 5043 0.105E-01 0.222E-01 RMM: 5 -0.371134644687E+03 0.39459E-04 -0.44120E-04 4427 0.527E-02 0.224E-01 RMM: 6 -0.371134320253E+03 0.32443E-03 -0.16435E-04 3887 0.343E-02 0.532E-02 RMM: 7 -0.371134379824E+03 -0.59571E-04 -0.89056E-05 3657 0.245E-02 0.113E-01 RMM: 8 -0.371134301628E+03 0.78196E-04 -0.41983E-05 3140 0.203E-02 0.352E-02 RMM: 9 -0.371134295114E+03 0.65140E-05 -0.95206E-06 2463 0.873E-03 3572 T= 6617. E= 0.69000244E+03 F= 0.63526008E+03 E0= 0.66552406E+03 EK= 0.54742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371296417553E+03 -0.16212E+00 -0.18347E-01 8340 0.238E+01 0.305E-01 RMM: 2 -0.371314564095E+03 -0.18147E-01 -0.10322E-01 5279 0.698E-01 0.124E+00 RMM: 3 -0.371303575466E+03 0.10989E-01 -0.91896E-03 5365 0.217E-01 0.249E-01 RMM: 4 -0.371303582509E+03 -0.70436E-05 -0.14169E-03 4753 0.861E-02 0.273E-01 RMM: 5 -0.371303202639E+03 0.37987E-03 -0.48193E-04 4580 0.581E-02 0.171E-01 RMM: 6 -0.371303057208E+03 0.14543E-03 -0.17414E-04 3882 0.342E-02 0.918E-02 RMM: 7 -0.371303110636E+03 -0.53429E-04 -0.11242E-04 3869 0.290E-02 0.134E-01 RMM: 8 -0.371302994787E+03 0.11585E-03 -0.54769E-05 3350 0.221E-02 0.317E-02 RMM: 9 -0.371302995575E+03 -0.78771E-06 -0.12598E-05 2494 0.100E-02 3573 T= 6636. E= 0.68974346E+03 F= 0.63484349E+03 E0= 0.66511507E+03 EK= 0.54900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371490458253E+03 -0.18746E+00 -0.18610E-01 8376 0.237E+01 0.302E-01 RMM: 2 -0.371506700603E+03 -0.16242E-01 -0.10556E-01 5142 0.722E-01 0.110E+00 RMM: 3 -0.371497918995E+03 0.87816E-02 -0.95135E-03 5465 0.215E-01 0.247E-01 RMM: 4 -0.371497921338E+03 -0.23433E-05 -0.13574E-03 4722 0.861E-02 0.271E-01 RMM: 5 -0.371497584243E+03 0.33709E-03 -0.41983E-04 4444 0.533E-02 0.180E-01 RMM: 6 -0.371497395694E+03 0.18855E-03 -0.16589E-04 3884 0.340E-02 0.723E-02 RMM: 7 -0.371497471333E+03 -0.75639E-04 -0.97622E-05 3754 0.267E-02 0.133E-01 RMM: 8 -0.371497356755E+03 0.11458E-03 -0.48301E-05 3269 0.212E-02 0.345E-02 RMM: 9 -0.371497352555E+03 0.41997E-05 -0.12175E-05 2485 0.985E-03 3574 T= 6597. E= 0.68897117E+03 F= 0.63439600E+03 E0= 0.66467895E+03 EK= 0.54575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371765056591E+03 -0.26770E+00 -0.18638E-01 8472 0.236E+01 0.302E-01 RMM: 2 -0.371779861347E+03 -0.14805E-01 -0.10331E-01 5155 0.707E-01 0.101E+00 RMM: 3 -0.371772342324E+03 0.75190E-02 -0.89637E-03 5405 0.210E-01 0.257E-01 RMM: 4 -0.371772397812E+03 -0.55489E-04 -0.14074E-03 4737 0.882E-02 0.288E-01 RMM: 5 -0.371771888382E+03 0.50943E-03 -0.47109E-04 4516 0.572E-02 0.141E-01 RMM: 6 -0.371771810369E+03 0.78013E-04 -0.17182E-04 3886 0.340E-02 0.964E-02 RMM: 7 -0.371771845609E+03 -0.35241E-04 -0.93329E-05 3752 0.265E-02 0.126E-01 RMM: 8 -0.371771743315E+03 0.10229E-03 -0.45407E-05 3208 0.203E-02 0.315E-02 RMM: 9 -0.371771742477E+03 0.83782E-06 -0.12543E-05 2481 0.988E-03 3575 T= 6521. E= 0.68781043E+03 F= 0.63386207E+03 E0= 0.66415751E+03 EK= 0.53948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372173736855E+03 -0.40199E+00 -0.18423E-01 8340 0.234E+01 0.337E-01 RMM: 2 -0.372194938106E+03 -0.21201E-01 -0.10844E-01 5086 0.743E-01 0.140E+00 RMM: 3 -0.372181195751E+03 0.13742E-01 -0.10903E-02 5397 0.236E-01 0.288E-01 RMM: 4 -0.372181045403E+03 0.15035E-03 -0.17531E-03 4831 0.967E-02 0.267E-01 RMM: 5 -0.372180796782E+03 0.24862E-03 -0.47608E-04 4497 0.558E-02 0.215E-01 RMM: 6 -0.372180518861E+03 0.27792E-03 -0.19664E-04 3887 0.368E-02 0.736E-02 RMM: 7 -0.372180600638E+03 -0.81777E-04 -0.12793E-04 3879 0.299E-02 0.137E-01 RMM: 8 -0.372180478383E+03 0.12225E-03 -0.62049E-05 3418 0.235E-02 0.349E-02 RMM: 9 -0.372180474546E+03 0.38374E-05 -0.11455E-05 2490 0.959E-03 3576 T= 6443. E= 0.68648909E+03 F= 0.63318652E+03 E0= 0.66349407E+03 EK= 0.53303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372755485808E+03 -0.57501E+00 -0.18597E-01 8400 0.233E+01 0.320E-01 RMM: 2 -0.372771680477E+03 -0.16195E-01 -0.10534E-01 5111 0.709E-01 0.111E+00 RMM: 3 -0.372762775805E+03 0.89047E-02 -0.99737E-03 5395 0.223E-01 0.284E-01 RMM: 4 -0.372762754401E+03 0.21405E-04 -0.15939E-03 4734 0.921E-02 0.289E-01 RMM: 5 -0.372762357317E+03 0.39708E-03 -0.52241E-04 4564 0.592E-02 0.198E-01 RMM: 6 -0.372762132285E+03 0.22503E-03 -0.21976E-04 3890 0.386E-02 0.812E-02 RMM: 7 -0.372762231503E+03 -0.99218E-04 -0.11607E-04 3839 0.287E-02 0.152E-01 RMM: 8 -0.372762086005E+03 0.14550E-03 -0.57228E-05 3394 0.225E-02 0.405E-02 RMM: 9 -0.372762079226E+03 0.67788E-05 -0.13459E-05 2501 0.104E-02 3577 T= 6394. E= 0.68522858E+03 F= 0.63233043E+03 E0= 0.66264730E+03 EK= 0.52898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373513062341E+03 -0.75098E+00 -0.19237E-01 8532 0.232E+01 0.323E-01 RMM: 2 -0.373531436058E+03 -0.18374E-01 -0.98521E-02 5280 0.680E-01 0.130E+00 RMM: 3 -0.373519515354E+03 0.11921E-01 -0.89691E-03 5418 0.210E-01 0.242E-01 RMM: 4 -0.373519625103E+03 -0.10975E-03 -0.16236E-03 4697 0.946E-02 0.299E-01 RMM: 5 -0.373519245418E+03 0.37968E-03 -0.52666E-04 4514 0.600E-02 0.209E-01 RMM: 6 -0.373518994479E+03 0.25094E-03 -0.20505E-04 3888 0.373E-02 0.811E-02 RMM: 7 -0.373519060233E+03 -0.65754E-04 -0.12391E-04 3881 0.303E-02 0.133E-01 RMM: 8 -0.373518945352E+03 0.11488E-03 -0.58253E-05 3385 0.228E-02 0.341E-02 RMM: 9 -0.373518942696E+03 0.26564E-05 -0.11261E-05 2486 0.942E-03 3578 T= 6391. E= 0.68415999E+03 F= 0.63129150E+03 E0= 0.66161382E+03 EK= 0.52868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374404880494E+03 -0.88594E+00 -0.19597E-01 8616 0.232E+01 0.296E-01 RMM: 2 -0.374418581895E+03 -0.13701E-01 -0.95591E-02 5448 0.638E-01 0.981E-01 RMM: 3 -0.374411165583E+03 0.74163E-02 -0.72695E-03 5372 0.186E-01 0.233E-01 RMM: 4 -0.374411383925E+03 -0.21834E-03 -0.13396E-03 4653 0.859E-02 0.310E-01 RMM: 5 -0.374410815855E+03 0.56807E-03 -0.54018E-04 4576 0.618E-02 0.157E-01 RMM: 6 -0.374410717924E+03 0.97931E-04 -0.20452E-04 3890 0.365E-02 0.107E-01 RMM: 7 -0.374410766005E+03 -0.48081E-04 -0.11158E-04 3815 0.293E-02 0.142E-01 RMM: 8 -0.374410637394E+03 0.12861E-03 -0.55213E-05 3375 0.219E-02 0.340E-02 RMM: 9 -0.374410635845E+03 0.15488E-05 -0.12928E-05 2492 0.100E-02 3579 T= 6428. E= 0.68328755E+03 F= 0.63011047E+03 E0= 0.66043263E+03 EK= 0.53177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375350166198E+03 -0.93953E+00 -0.19848E-01 8976 0.232E+01 0.288E-01 RMM: 2 -0.375364187851E+03 -0.14022E-01 -0.96001E-02 5472 0.634E-01 0.102E+00 RMM: 3 -0.375356547520E+03 0.76403E-02 -0.67744E-03 5490 0.174E-01 0.201E-01 RMM: 4 -0.375356837360E+03 -0.28984E-03 -0.13522E-03 4653 0.877E-02 0.323E-01 RMM: 5 -0.375356259970E+03 0.57739E-03 -0.58452E-04 4549 0.647E-02 0.155E-01 RMM: 6 -0.375356192074E+03 0.67895E-04 -0.20581E-04 3888 0.368E-02 0.121E-01 RMM: 7 -0.375356151594E+03 0.40481E-04 -0.99333E-05 3873 0.301E-02 0.100E-01 RMM: 8 -0.375356086714E+03 0.64880E-04 -0.32601E-05 3025 0.173E-02 0.290E-02 RMM: 9 -0.375356091336E+03 -0.46225E-05 -0.13765E-05 2488 0.104E-02 3580 T= 6484. E= 0.68250498E+03 F= 0.62886863E+03 E0= 0.65918511E+03 EK= 0.53636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376240439068E+03 -0.88435E+00 -0.19983E-01 8988 0.232E+01 0.281E-01 RMM: 2 -0.376253529320E+03 -0.13090E-01 -0.10076E-01 5482 0.638E-01 0.885E-01 RMM: 3 -0.376247345687E+03 0.61836E-02 -0.67168E-03 5424 0.175E-01 0.225E-01 RMM: 4 -0.376247498372E+03 -0.15269E-03 -0.12172E-03 4652 0.814E-02 0.297E-01 RMM: 5 -0.376246981257E+03 0.51712E-03 -0.63564E-04 4601 0.687E-02 0.152E-01 RMM: 6 -0.376246932486E+03 0.48771E-04 -0.24514E-04 3894 0.399E-02 0.130E-01 RMM: 7 -0.376246920442E+03 0.12044E-04 -0.11993E-04 3881 0.324E-02 3581 T= 6525. E= 0.68165709E+03 F= 0.62767428E+03 E0= 0.65797932E+03 EK= 0.53983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376966899869E+03 -0.71997E+00 -0.20272E-01 9060 0.232E+01 0.324E-01 RMM: 2 -0.376978254330E+03 -0.11354E-01 -0.10275E-01 5547 0.632E-01 0.751E-01 RMM: 3 -0.376973541713E+03 0.47126E-02 -0.62371E-03 5510 0.167E-01 0.256E-01 RMM: 4 -0.376974050159E+03 -0.50845E-03 -0.15500E-03 4654 0.953E-02 0.409E-01 RMM: 5 -0.376972981761E+03 0.10684E-02 -0.91058E-04 4609 0.809E-02 0.132E-01 RMM: 6 -0.376973088068E+03 -0.10631E-03 -0.31534E-04 3932 0.454E-02 0.188E-01 RMM: 7 -0.376972938213E+03 0.14986E-03 -0.15538E-04 3880 0.383E-02 0.120E-01 RMM: 8 -0.376972847313E+03 0.90900E-04 -0.52807E-05 3342 0.209E-02 0.394E-02 RMM: 9 -0.376972856402E+03 -0.90889E-05 -0.25244E-05 2631 0.142E-02 3582 T= 6526. E= 0.68062853E+03 F= 0.62663719E+03 E0= 0.65692500E+03 EK= 0.53991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377441151378E+03 -0.46830E+00 -0.19767E-01 9036 0.231E+01 0.280E-01 RMM: 2 -0.377455582163E+03 -0.14431E-01 -0.10543E-01 5563 0.634E-01 0.948E-01 RMM: 3 -0.377448299987E+03 0.72822E-02 -0.71405E-03 5421 0.183E-01 0.228E-01 RMM: 4 -0.377448318350E+03 -0.18363E-04 -0.11541E-03 4656 0.759E-02 0.255E-01 RMM: 5 -0.377448038270E+03 0.28008E-03 -0.48357E-04 4546 0.598E-02 0.183E-01 RMM: 6 -0.377447848493E+03 0.18978E-03 -0.20242E-04 3886 0.368E-02 0.730E-02 RMM: 7 -0.377447895756E+03 -0.47263E-04 -0.81745E-05 3652 0.263E-02 0.116E-01 RMM: 8 -0.377447809851E+03 0.85906E-04 -0.31665E-05 3016 0.175E-02 0.269E-02 RMM: 9 -0.377447808370E+03 0.14811E-05 -0.79985E-06 2461 0.763E-03 3583 T= 6477. E= 0.67942616E+03 F= 0.62584275E+03 E0= 0.65610927E+03 EK= 0.53583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377627110722E+03 -0.17930E+00 -0.19326E-01 9036 0.229E+01 0.334E-01 RMM: 2 -0.377638156019E+03 -0.11045E-01 -0.10682E-01 5653 0.616E-01 0.694E-01 RMM: 3 -0.377633681678E+03 0.44743E-02 -0.56898E-03 5544 0.159E-01 0.257E-01 RMM: 4 -0.377634440211E+03 -0.75853E-03 -0.15824E-03 4640 0.967E-02 0.450E-01 RMM: 5 -0.377633138359E+03 0.13019E-02 -0.79535E-04 4602 0.744E-02 0.132E-01 RMM: 6 -0.377633128973E+03 0.93858E-05 -0.21463E-04 3889 0.370E-02 0.132E-01 RMM: 7 -0.377633092175E+03 0.36798E-04 -0.10334E-04 3874 0.301E-02 0.119E-01 RMM: 8 -0.377632999948E+03 0.92227E-04 -0.41466E-05 3176 0.189E-02 0.301E-02 RMM: 9 -0.377633005064E+03 -0.51161E-05 -0.17608E-05 2512 0.117E-02 3584 T= 6391. E= 0.67820093E+03 F= 0.62532920E+03 E0= 0.65557237E+03 EK= 0.52872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377532272747E+03 0.10073E+00 -0.18931E-01 8964 0.226E+01 0.327E-01 RMM: 2 -0.377545364118E+03 -0.13091E-01 -0.10755E-01 5609 0.627E-01 0.867E-01 RMM: 3 -0.377539192778E+03 0.61713E-02 -0.62784E-03 5405 0.171E-01 0.262E-01 RMM: 4 -0.377539789946E+03 -0.59717E-03 -0.16387E-03 4660 0.968E-02 0.411E-01 RMM: 5 -0.377538730756E+03 0.10592E-02 -0.71036E-04 4601 0.700E-02 0.147E-01 RMM: 6 -0.377538636438E+03 0.94318E-04 -0.17728E-04 3886 0.338E-02 0.912E-02 RMM: 7 -0.377538676761E+03 -0.40323E-04 -0.88973E-05 3718 0.263E-02 0.126E-01 RMM: 8 -0.377538572774E+03 0.10399E-03 -0.44452E-05 3215 0.201E-02 0.296E-02 RMM: 9 -0.377538573856E+03 -0.10827E-05 -0.12103E-05 2495 0.958E-03 3585 T= 6299. E= 0.67719909E+03 F= 0.62508647E+03 E0= 0.65530504E+03 EK= 0.52113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377203791812E+03 0.33478E+00 -0.18641E-01 8868 0.224E+01 0.342E-01 RMM: 2 -0.377215147422E+03 -0.11356E-01 -0.10697E-01 5723 0.617E-01 0.733E-01 RMM: 3 -0.377210426844E+03 0.47206E-02 -0.55474E-03 5372 0.163E-01 0.266E-01 RMM: 4 -0.377211275531E+03 -0.84869E-03 -0.16760E-03 4638 0.100E-01 0.465E-01 RMM: 5 -0.377209898081E+03 0.13774E-02 -0.73715E-04 4612 0.699E-02 0.116E-01 RMM: 6 -0.377209874192E+03 0.23889E-04 -0.16081E-04 3880 0.317E-02 0.107E-01 RMM: 7 -0.377209869226E+03 0.49658E-05 -0.80892E-05 3653 0.253E-02 3586 T= 6237. E= 0.67666728E+03 F= 0.62507016E+03 E0= 0.65526508E+03 EK= 0.51597E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376697728082E+03 0.51215E+00 -0.18651E-01 8832 0.222E+01 0.367E-01 RMM: 2 -0.376709079948E+03 -0.11352E-01 -0.10523E-01 5635 0.622E-01 0.764E-01 RMM: 3 -0.376704295364E+03 0.47846E-02 -0.61894E-03 5369 0.173E-01 0.314E-01 RMM: 4 -0.376705321263E+03 -0.10259E-02 -0.20379E-03 4760 0.110E-01 0.520E-01 RMM: 5 -0.376703570027E+03 0.17512E-02 -0.99849E-04 4599 0.832E-02 0.109E-01 RMM: 6 -0.376703594862E+03 -0.24835E-04 -0.17034E-04 3882 0.325E-02 0.132E-01 RMM: 7 -0.376703521569E+03 0.73293E-04 -0.89026E-05 3768 0.273E-02 0.961E-02 RMM: 8 -0.376703465041E+03 0.56527E-04 -0.37500E-05 3108 0.181E-02 0.309E-02 RMM: 9 -0.376703476770E+03 -0.11729E-04 -0.17684E-05 2536 0.117E-02 3587 T= 6230. E= 0.67676548E+03 F= 0.62522547E+03 E0= 0.65539819E+03 EK= 0.51540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376061089272E+03 0.64238E+00 -0.18606E-01 8868 0.222E+01 0.296E-01 RMM: 2 -0.376071237649E+03 -0.10148E-01 -0.10142E-01 5539 0.610E-01 0.587E-01 RMM: 3 -0.376067822601E+03 0.34150E-02 -0.55728E-03 5404 0.163E-01 0.247E-01 RMM: 4 -0.376068439063E+03 -0.61646E-03 -0.14018E-03 4638 0.924E-02 0.412E-01 RMM: 5 -0.376067361568E+03 0.10775E-02 -0.60917E-04 4556 0.646E-02 0.956E-02 RMM: 6 -0.376067355763E+03 0.58056E-05 -0.13926E-04 3873 0.298E-02 3588 T= 6286. E= 0.67751231E+03 F= 0.62550670E+03 E0= 0.65566131E+03 EK= 0.52006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375321988761E+03 0.74537E+00 -0.18412E-01 8856 0.224E+01 0.413E-01 RMM: 2 -0.375345713947E+03 -0.23725E-01 -0.10534E-01 5342 0.666E-01 0.159E+00 RMM: 3 -0.375328185819E+03 0.17528E-01 -0.11416E-02 5358 0.247E-01 0.306E-01 RMM: 4 -0.375328658816E+03 -0.47300E-03 -0.23739E-03 5008 0.113E-01 0.427E-01 RMM: 5 -0.375327822949E+03 0.83587E-03 -0.11063E-03 4607 0.888E-02 0.266E-01 RMM: 6 -0.375327405653E+03 0.41730E-03 -0.36634E-04 3951 0.498E-02 0.102E-01 RMM: 7 -0.375327487215E+03 -0.81562E-04 -0.18136E-04 3878 0.373E-02 0.161E-01 RMM: 8 -0.375327318942E+03 0.16827E-03 -0.10544E-04 3826 0.310E-02 0.402E-02 RMM: 9 -0.375327325412E+03 -0.64706E-05 -0.21475E-05 2638 0.137E-02 3589 T= 6392. E= 0.67876769E+03 F= 0.62589023E+03 E0= 0.65602753E+03 EK= 0.52877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374479634539E+03 0.84768E+00 -0.18119E-01 8880 0.227E+01 0.348E-01 RMM: 2 -0.374502121254E+03 -0.22487E-01 -0.99946E-02 5291 0.644E-01 0.151E+00 RMM: 3 -0.374486078176E+03 0.16043E-01 -0.99523E-03 5365 0.229E-01 0.282E-01 RMM: 4 -0.374486058523E+03 0.19654E-04 -0.18912E-03 4783 0.990E-02 0.303E-01 RMM: 5 -0.374485787010E+03 0.27151E-03 -0.71395E-04 4596 0.722E-02 0.244E-01 RMM: 6 -0.374485417512E+03 0.36950E-03 -0.24749E-04 3890 0.415E-02 0.673E-02 RMM: 7 -0.374485481205E+03 -0.63693E-04 -0.10978E-04 3821 0.290E-02 0.125E-01 RMM: 8 -0.374485380044E+03 0.10116E-03 -0.50638E-05 3301 0.218E-02 0.273E-02 RMM: 9 -0.374485378353E+03 0.16913E-05 -0.84748E-06 2468 0.849E-03 3590 T= 6513. E= 0.68025273E+03 F= 0.62637548E+03 E0= 0.65650046E+03 EK= 0.53877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373522103853E+03 0.96328E+00 -0.18512E-01 9060 0.230E+01 0.344E-01 RMM: 2 -0.373540550819E+03 -0.18447E-01 -0.10773E-01 5226 0.691E-01 0.124E+00 RMM: 3 -0.373529307292E+03 0.11244E-01 -0.93361E-03 5390 0.213E-01 0.259E-01 RMM: 4 -0.373529650887E+03 -0.34359E-03 -0.19737E-03 4863 0.106E-01 0.379E-01 RMM: 5 -0.373528907647E+03 0.74324E-03 -0.10987E-03 4608 0.911E-02 0.198E-01 RMM: 6 -0.373528738182E+03 0.16946E-03 -0.27898E-04 3891 0.429E-02 0.124E-01 RMM: 7 -0.373528721556E+03 0.16626E-04 -0.18016E-04 3880 0.407E-02 3591 T= 6606. E= 0.68162362E+03 F= 0.62697563E+03 E0= 0.65709068E+03 EK= 0.54648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372437989918E+03 0.10907E+01 -0.18578E-01 8988 0.232E+01 0.348E-01 RMM: 2 -0.372449721681E+03 -0.11732E-01 -0.10580E-01 5312 0.683E-01 0.777E-01 RMM: 3 -0.372445096964E+03 0.46247E-02 -0.81628E-03 5537 0.190E-01 0.283E-01 RMM: 4 -0.372445606749E+03 -0.50979E-03 -0.18153E-03 4827 0.106E-01 0.430E-01 RMM: 5 -0.372444476162E+03 0.11306E-02 -0.11951E-03 4608 0.935E-02 0.164E-01 RMM: 6 -0.372444490796E+03 -0.14634E-04 -0.34606E-04 3955 0.479E-02 0.177E-01 RMM: 7 -0.372444367475E+03 0.12332E-03 -0.19171E-04 3872 0.431E-02 0.125E-01 RMM: 8 -0.372444271653E+03 0.95822E-04 -0.60227E-05 3408 0.228E-02 0.432E-02 RMM: 9 -0.372444283494E+03 -0.11841E-04 -0.28945E-05 2809 0.155E-02 3592 T= 6635. E= 0.68259487E+03 F= 0.62770310E+03 E0= 0.65780943E+03 EK= 0.54892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371228879827E+03 0.12154E+01 -0.18708E-01 8916 0.233E+01 0.278E-01 RMM: 2 -0.371245052670E+03 -0.16173E-01 -0.10876E-01 5214 0.690E-01 0.105E+00 RMM: 3 -0.371236740476E+03 0.83122E-02 -0.89104E-03 5465 0.200E-01 0.184E-01 RMM: 4 -0.371237185544E+03 -0.44507E-03 -0.13803E-03 4695 0.895E-02 0.348E-01 RMM: 5 -0.371236450901E+03 0.73464E-03 -0.60439E-04 4591 0.666E-02 0.122E-01 RMM: 6 -0.371236446270E+03 0.46310E-05 -0.20055E-04 3880 0.358E-02 0.124E-01 RMM: 7 -0.371236402699E+03 0.43571E-04 -0.87863E-05 3710 0.285E-02 0.977E-02 RMM: 8 -0.371236341477E+03 0.61222E-04 -0.27821E-05 2919 0.164E-02 0.236E-02 RMM: 9 -0.371236341904E+03 -0.42762E-06 -0.81549E-06 2451 0.819E-03 3593 T= 6590. E= 0.68306526E+03 F= 0.62855235E+03 E0= 0.65864926E+03 EK= 0.54513E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369928025667E+03 0.13083E+01 -0.18294E-01 8880 0.233E+01 0.356E-01 RMM: 2 -0.369940253349E+03 -0.12228E-01 -0.10540E-01 5225 0.692E-01 0.847E-01 RMM: 3 -0.369934909497E+03 0.53439E-02 -0.89613E-03 5532 0.198E-01 0.277E-01 RMM: 4 -0.369935686023E+03 -0.77653E-03 -0.20974E-03 4942 0.113E-01 0.469E-01 RMM: 5 -0.369934346345E+03 0.13397E-02 -0.10215E-03 4611 0.852E-02 0.176E-01 RMM: 6 -0.369934251597E+03 0.94748E-04 -0.29609E-04 3900 0.439E-02 0.137E-01 RMM: 7 -0.369934230912E+03 0.20685E-04 -0.13804E-04 3870 0.356E-02 0.133E-01 RMM: 8 -0.369934116596E+03 0.11432E-03 -0.56334E-05 3381 0.221E-02 0.366E-02 RMM: 9 -0.369934122113E+03 -0.55164E-05 -0.21376E-05 2611 0.133E-02 3594 T= 6488. E= 0.68316731E+03 F= 0.62949288E+03 E0= 0.65957910E+03 EK= 0.53674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368582720982E+03 0.13514E+01 -0.17655E-01 8652 0.232E+01 0.336E-01 RMM: 2 -0.368596932919E+03 -0.14212E-01 -0.10209E-01 5188 0.686E-01 0.100E+00 RMM: 3 -0.368589467800E+03 0.74651E-02 -0.92467E-03 5568 0.201E-01 0.221E-01 RMM: 4 -0.368590328503E+03 -0.86070E-03 -0.19237E-03 4878 0.109E-01 0.457E-01 RMM: 5 -0.368589024672E+03 0.13038E-02 -0.82055E-04 4610 0.756E-02 0.118E-01 RMM: 6 -0.368589063810E+03 -0.39138E-04 -0.21322E-04 3875 0.368E-02 0.146E-01 RMM: 7 -0.368588981403E+03 0.82408E-04 -0.92921E-05 3752 0.289E-02 0.104E-01 RMM: 8 -0.368588911942E+03 0.69460E-04 -0.36380E-05 3113 0.180E-02 0.285E-02 RMM: 9 -0.368588920333E+03 -0.83910E-05 -0.15226E-05 2508 0.110E-02 3595 T= 6373. E= 0.68319701E+03 F= 0.63047279E+03 E0= 0.66054528E+03 EK= 0.52724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367260524573E+03 0.13284E+01 -0.16917E-01 8544 0.231E+01 0.357E-01 RMM: 2 -0.367272948320E+03 -0.12424E-01 -0.93332E-02 5213 0.667E-01 0.976E-01 RMM: 3 -0.367266301618E+03 0.66467E-02 -0.85012E-03 5535 0.197E-01 0.262E-01 RMM: 4 -0.367267070853E+03 -0.76923E-03 -0.20690E-03 4941 0.112E-01 0.450E-01 RMM: 5 -0.367265860657E+03 0.12102E-02 -0.88570E-04 4611 0.798E-02 0.187E-01 RMM: 6 -0.367265684139E+03 0.17652E-03 -0.24011E-04 3893 0.396E-02 0.983E-02 RMM: 7 -0.367265716980E+03 -0.32841E-04 -0.98131E-05 3846 0.289E-02 0.128E-01 RMM: 8 -0.367265608813E+03 0.10817E-03 -0.44318E-05 3246 0.199E-02 0.295E-02 RMM: 9 -0.367265615134E+03 -0.63206E-05 -0.16685E-05 2519 0.115E-02 3596 T= 6292. E= 0.68347615E+03 F= 0.63142766E+03 E0= 0.66148368E+03 EK= 0.52048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366024704837E+03 0.12409E+01 -0.16244E-01 8220 0.231E+01 0.356E-01 RMM: 2 -0.366037399411E+03 -0.12695E-01 -0.89196E-02 5195 0.658E-01 0.102E+00 RMM: 3 -0.366030170716E+03 0.72287E-02 -0.85992E-03 5546 0.196E-01 0.244E-01 RMM: 4 -0.366031136426E+03 -0.96571E-03 -0.20783E-03 4921 0.113E-01 0.478E-01 RMM: 5 -0.366029712465E+03 0.14240E-02 -0.90591E-04 4605 0.806E-02 0.143E-01 RMM: 6 -0.366029656755E+03 0.55710E-04 -0.22424E-04 3896 0.382E-02 0.119E-01 RMM: 7 -0.366029642216E+03 0.14539E-04 -0.10137E-04 3792 0.290E-02 3597 T= 6278. E= 0.68422684E+03 F= 0.63229347E+03 E0= 0.66233060E+03 EK= 0.51933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364934253068E+03 0.10954E+01 -0.16336E-01 8136 0.232E+01 0.381E-01 RMM: 2 -0.364946385572E+03 -0.12133E-01 -0.85844E-02 5186 0.667E-01 0.102E+00 RMM: 3 -0.364939499200E+03 0.68864E-02 -0.87342E-03 5490 0.200E-01 0.308E-01 RMM: 4 -0.364940101596E+03 -0.60240E-03 -0.22601E-03 4915 0.116E-01 0.456E-01 RMM: 5 -0.364938825260E+03 0.12763E-02 -0.10935E-03 4611 0.888E-02 0.165E-01 RMM: 6 -0.364938762327E+03 0.62933E-04 -0.27717E-04 3897 0.429E-02 0.143E-01 RMM: 7 -0.364938741984E+03 0.20343E-04 -0.14257E-04 3876 0.347E-02 0.140E-01 RMM: 8 -0.364938614101E+03 0.12788E-03 -0.74750E-05 3537 0.253E-02 0.401E-02 RMM: 9 -0.364938620870E+03 -0.67686E-05 -0.22034E-05 2631 0.134E-02 3598 T= 6344. E= 0.68549421E+03 F= 0.63301454E+03 E0= 0.66303230E+03 EK= 0.52480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364030538602E+03 0.90808E+00 -0.16962E-01 8196 0.234E+01 0.306E-01 RMM: 2 -0.364042390838E+03 -0.11852E-01 -0.83938E-02 5053 0.662E-01 0.944E-01 RMM: 3 -0.364036199072E+03 0.61918E-02 -0.85927E-03 5501 0.196E-01 0.193E-01 RMM: 4 -0.364036990303E+03 -0.79123E-03 -0.15561E-03 4754 0.974E-02 0.426E-01 RMM: 5 -0.364035860125E+03 0.11302E-02 -0.73594E-04 4602 0.737E-02 0.110E-01 RMM: 6 -0.364035870310E+03 -0.10185E-04 -0.20615E-04 3891 0.367E-02 0.122E-01 RMM: 7 -0.364035822766E+03 0.47544E-04 -0.77462E-05 3609 0.267E-02 0.948E-02 RMM: 8 -0.364035763266E+03 0.59500E-04 -0.27974E-05 2889 0.165E-02 0.238E-02 RMM: 9 -0.364035763645E+03 -0.37895E-06 -0.84873E-06 2455 0.840E-03 3599 T= 6475. E= 0.68711494E+03 F= 0.63354934E+03 E0= 0.66354882E+03 EK= 0.53566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363341260155E+03 0.69450E+00 -0.17297E-01 8292 0.238E+01 0.360E-01 RMM: 2 -0.363357270349E+03 -0.16010E-01 -0.83018E-02 5150 0.678E-01 0.129E+00 RMM: 3 -0.363346370703E+03 0.10900E-01 -0.88552E-03 5440 0.210E-01 0.266E-01 RMM: 4 -0.363346689321E+03 -0.31862E-03 -0.20608E-03 4909 0.111E-01 0.376E-01 RMM: 5 -0.363345957248E+03 0.73207E-03 -0.10373E-03 4609 0.887E-02 0.207E-01 RMM: 6 -0.363345746978E+03 0.21027E-03 -0.26974E-04 3904 0.426E-02 0.114E-01 RMM: 7 -0.363345750702E+03 -0.37237E-05 -0.15634E-04 3888 0.377E-02 3600 T= 6631. E= 0.68873203E+03 F= 0.63387388E+03 E0= 0.66385911E+03 EK= 0.54858E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362867863666E+03 0.47788E+00 -0.17644E-01 8256 0.240E+01 0.349E-01 RMM: 2 -0.362877723138E+03 -0.98595E-02 -0.79607E-02 5240 0.649E-01 0.858E-01 RMM: 3 -0.362872906051E+03 0.48171E-02 -0.74455E-03 5491 0.184E-01 0.280E-01 RMM: 4 -0.362873519629E+03 -0.61358E-03 -0.19425E-03 4814 0.112E-01 0.441E-01 RMM: 5 -0.362872374307E+03 0.11453E-02 -0.11983E-03 4610 0.944E-02 0.178E-01 RMM: 6 -0.362872321591E+03 0.52715E-04 -0.32592E-04 3917 0.468E-02 0.165E-01 RMM: 7 -0.362872233393E+03 0.88199E-04 -0.20557E-04 3883 0.441E-02 0.130E-01 RMM: 8 -0.362872125620E+03 0.10777E-03 -0.68793E-05 3486 0.248E-02 0.429E-02 RMM: 9 -0.362872137551E+03 -0.11931E-04 -0.26838E-05 2787 0.148E-02 3601 T= 6757. E= 0.68988093E+03 F= 0.63398390E+03 E0= 0.66396131E+03 EK= 0.55897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362596534925E+03 0.27559E+00 -0.17725E-01 8256 0.242E+01 0.294E-01 RMM: 2 -0.362609917442E+03 -0.13383E-01 -0.75552E-02 5219 0.639E-01 0.112E+00 RMM: 3 -0.362601525051E+03 0.83924E-02 -0.71118E-03 5436 0.185E-01 0.209E-01 RMM: 4 -0.362601779169E+03 -0.25412E-03 -0.14169E-03 4656 0.919E-02 0.314E-01 RMM: 5 -0.362601306042E+03 0.47313E-03 -0.75304E-04 4599 0.765E-02 0.187E-01 RMM: 6 -0.362601119902E+03 0.18614E-03 -0.23898E-04 3896 0.405E-02 0.906E-02 RMM: 7 -0.362601153855E+03 -0.33953E-04 -0.10974E-04 3843 0.310E-02 0.121E-01 RMM: 8 -0.362601057972E+03 0.95882E-04 -0.45458E-05 3262 0.205E-02 0.291E-02 RMM: 9 -0.362601054941E+03 0.30314E-05 -0.75661E-06 2462 0.820E-03 3602 T= 6802. E= 0.69015926E+03 F= 0.63389113E+03 E0= 0.66386788E+03 EK= 0.56268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362503143987E+03 0.97914E-01 -0.17796E-01 8292 0.242E+01 0.354E-01 RMM: 2 -0.362512411610E+03 -0.92676E-02 -0.73745E-02 5286 0.634E-01 0.880E-01 RMM: 3 -0.362507351228E+03 0.50604E-02 -0.70365E-03 5441 0.186E-01 0.287E-01 RMM: 4 -0.362507969471E+03 -0.61824E-03 -0.19759E-03 4853 0.112E-01 0.438E-01 RMM: 5 -0.362506799988E+03 0.11695E-02 -0.10804E-03 4612 0.894E-02 0.168E-01 RMM: 6 -0.362506718491E+03 0.81498E-04 -0.26256E-04 3904 0.420E-02 0.138E-01 RMM: 7 -0.362506690310E+03 0.28181E-04 -0.16316E-04 3882 0.383E-02 0.133E-01 RMM: 8 -0.362506578010E+03 0.11230E-03 -0.64338E-05 3456 0.239E-02 0.417E-02 RMM: 9 -0.362506578129E+03 -0.11932E-06 -0.19499E-05 2554 0.129E-02 3603 T= 6745. E= 0.68941871E+03 F= 0.63361848E+03 E0= 0.66360238E+03 EK= 0.55800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362554021454E+03 -0.47443E-01 -0.17437E-01 8352 0.240E+01 0.339E-01 RMM: 2 -0.362565647583E+03 -0.11626E-01 -0.70903E-02 5302 0.622E-01 0.106E+00 RMM: 3 -0.362558089799E+03 0.75578E-02 -0.66909E-03 5435 0.182E-01 0.245E-01 RMM: 4 -0.362558718468E+03 -0.62867E-03 -0.18053E-03 4744 0.106E-01 0.415E-01 RMM: 5 -0.362557756433E+03 0.96204E-03 -0.91017E-04 4608 0.823E-02 0.188E-01 RMM: 6 -0.362557583485E+03 0.17295E-03 -0.24262E-04 3901 0.404E-02 0.105E-01 RMM: 7 -0.362557609245E+03 -0.25760E-04 -0.13287E-04 3862 0.341E-02 0.130E-01 RMM: 8 -0.362557499611E+03 0.10963E-03 -0.57886E-05 3387 0.229E-02 0.358E-02 RMM: 9 -0.362557498896E+03 0.71515E-06 -0.13567E-05 2508 0.109E-02 3604 T= 6607. E= 0.68785017E+03 F= 0.63319405E+03 E0= 0.66319239E+03 EK= 0.54656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362719910885E+03 -0.16241E+00 -0.17033E-01 8100 0.238E+01 0.363E-01 RMM: 2 -0.362728806161E+03 -0.88953E-02 -0.69215E-02 5292 0.615E-01 0.904E-01 RMM: 3 -0.362723590669E+03 0.52155E-02 -0.68694E-03 5429 0.184E-01 0.284E-01 RMM: 4 -0.362724538518E+03 -0.94785E-03 -0.21065E-03 4868 0.116E-01 0.484E-01 RMM: 5 -0.362723155650E+03 0.13829E-02 -0.93054E-04 4612 0.815E-02 0.198E-01 RMM: 6 -0.362722947543E+03 0.20811E-03 -0.26594E-04 3912 0.421E-02 0.979E-02 RMM: 7 -0.362722987002E+03 -0.39459E-04 -0.11754E-04 3833 0.322E-02 0.133E-01 RMM: 8 -0.362722870135E+03 0.11687E-03 -0.46773E-05 3254 0.209E-02 0.334E-02 RMM: 9 -0.362722873476E+03 -0.33413E-05 -0.16955E-05 2530 0.118E-02 3605 T= 6437. E= 0.68589523E+03 F= 0.63264650E+03 E0= 0.66266488E+03 EK= 0.53249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362970115675E+03 -0.24725E+00 -0.16918E-01 8040 0.235E+01 0.374E-01 RMM: 2 -0.362981211112E+03 -0.11095E-01 -0.67863E-02 5258 0.619E-01 0.108E+00 RMM: 3 -0.362973568035E+03 0.76431E-02 -0.70322E-03 5395 0.189E-01 0.271E-01 RMM: 4 -0.362974499732E+03 -0.93170E-03 -0.22509E-03 4947 0.118E-01 0.481E-01 RMM: 5 -0.362973122526E+03 0.13772E-02 -0.99857E-04 4608 0.850E-02 0.183E-01 RMM: 6 -0.362972957511E+03 0.16501E-03 -0.22388E-04 3885 0.386E-02 0.102E-01 RMM: 7 -0.362972968074E+03 -0.10563E-04 -0.12103E-04 3848 0.326E-02 3606 T= 6292. E= 0.68405300E+03 F= 0.63200469E+03 E0= 0.66204687E+03 EK= 0.52048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363272382970E+03 -0.29943E+00 -0.16586E-01 7968 0.233E+01 0.401E-01 RMM: 2 -0.363280093623E+03 -0.77107E-02 -0.68577E-02 5231 0.623E-01 0.847E-01 RMM: 3 -0.363275864651E+03 0.42290E-02 -0.70105E-03 5408 0.183E-01 0.337E-01 RMM: 4 -0.363277141206E+03 -0.12766E-02 -0.25183E-03 4975 0.127E-01 0.571E-01 RMM: 5 -0.363275042332E+03 0.20989E-02 -0.13041E-03 4609 0.968E-02 0.144E-01 RMM: 6 -0.363275035850E+03 0.64820E-05 -0.26477E-04 3891 0.414E-02 0.152E-01 RMM: 7 -0.363274949987E+03 0.85862E-04 -0.14393E-04 3871 0.364E-02 0.118E-01 RMM: 8 -0.363274865673E+03 0.84314E-04 -0.51005E-05 3276 0.211E-02 0.410E-02 RMM: 9 -0.363274878858E+03 -0.13185E-04 -0.26387E-05 2766 0.145E-02 3607 T= 6214. E= 0.68271025E+03 F= 0.63130231E+03 E0= 0.66136984E+03 EK= 0.51408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363588332336E+03 -0.31347E+00 -0.16157E-01 7896 0.232E+01 0.349E-01 RMM: 2 -0.363599914363E+03 -0.11582E-01 -0.65451E-02 5218 0.621E-01 0.112E+00 RMM: 3 -0.363591723848E+03 0.81905E-02 -0.73976E-03 5376 0.195E-01 0.232E-01 RMM: 4 -0.363592614260E+03 -0.89041E-03 -0.18793E-03 4797 0.106E-01 0.455E-01 RMM: 5 -0.363591473349E+03 0.11409E-02 -0.84504E-04 4608 0.790E-02 0.196E-01 RMM: 6 -0.363591255395E+03 0.21795E-03 -0.24899E-04 3886 0.409E-02 0.799E-02 RMM: 7 -0.363591308026E+03 -0.52631E-04 -0.93399E-05 3752 0.283E-02 0.125E-01 RMM: 8 -0.363591205001E+03 0.10302E-03 -0.40824E-05 3180 0.196E-02 0.265E-02 RMM: 9 -0.363591203765E+03 0.12362E-05 -0.79663E-06 2466 0.818E-03 3608 T= 6222. E= 0.68205365E+03 F= 0.63057880E+03 E0= 0.66067253E+03 EK= 0.51475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363875257328E+03 -0.28405E+00 -0.16609E-01 7848 0.233E+01 0.371E-01 RMM: 2 -0.363881873894E+03 -0.66166E-02 -0.61525E-02 5249 0.592E-01 0.779E-01 RMM: 3 -0.363878317307E+03 0.35566E-02 -0.61337E-03 5397 0.170E-01 0.301E-01 RMM: 4 -0.363879470603E+03 -0.11533E-02 -0.22825E-03 4859 0.123E-01 0.539E-01 RMM: 5 -0.363877660959E+03 0.18096E-02 -0.11582E-03 4608 0.912E-02 0.151E-01 RMM: 6 -0.363877614870E+03 0.46088E-04 -0.25404E-04 3884 0.405E-02 0.137E-01 RMM: 7 -0.363877550540E+03 0.64330E-04 -0.13812E-04 3852 0.364E-02 0.110E-01 RMM: 8 -0.363877474904E+03 0.75636E-04 -0.38723E-05 3114 0.190E-02 0.361E-02 RMM: 9 -0.363877482349E+03 -0.74443E-05 -0.21085E-05 2548 0.132E-02 3609 T= 6307. E= 0.68205430E+03 F= 0.62988122E+03 E0= 0.65999870E+03 EK= 0.52173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364075418624E+03 -0.19794E+00 -0.16979E-01 8184 0.235E+01 0.350E-01 RMM: 2 -0.364085072826E+03 -0.96542E-02 -0.59173E-02 5271 0.599E-01 0.103E+00 RMM: 3 -0.364078310493E+03 0.67623E-02 -0.62871E-03 5371 0.179E-01 0.228E-01 RMM: 4 -0.364079278792E+03 -0.96830E-03 -0.20271E-03 4860 0.115E-01 0.472E-01 RMM: 5 -0.364077966900E+03 0.13119E-02 -0.10282E-03 4608 0.875E-02 0.171E-01 RMM: 6 -0.364077868648E+03 0.98252E-04 -0.26341E-04 3891 0.417E-02 0.129E-01 RMM: 7 -0.364077839896E+03 0.28752E-04 -0.14406E-04 3854 0.373E-02 0.122E-01 RMM: 8 -0.364077745203E+03 0.94693E-04 -0.47146E-05 3261 0.207E-02 0.322E-02 RMM: 9 -0.364077750705E+03 -0.55017E-05 -0.16066E-05 2525 0.118E-02 3610 T= 6434. E= 0.68249234E+03 F= 0.62926771E+03 E0= 0.65940499E+03 EK= 0.53225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364127533165E+03 -0.49788E-01 -0.17800E-01 8076 0.237E+01 0.342E-01 RMM: 2 -0.364134862104E+03 -0.73289E-02 -0.58869E-02 5233 0.591E-01 0.834E-01 RMM: 3 -0.364130637993E+03 0.42241E-02 -0.58816E-03 5406 0.166E-01 0.266E-01 RMM: 4 -0.364131557174E+03 -0.91918E-03 -0.20592E-03 4819 0.117E-01 0.481E-01 RMM: 5 -0.364130174606E+03 0.13826E-02 -0.11180E-03 4608 0.918E-02 0.173E-01 RMM: 6 -0.364130059380E+03 0.11523E-03 -0.26928E-04 3893 0.421E-02 0.123E-01 RMM: 7 -0.364130017678E+03 0.41702E-04 -0.15687E-04 3864 0.393E-02 0.111E-01 RMM: 8 -0.364129941091E+03 0.76587E-04 -0.39025E-05 3111 0.193E-02 0.340E-02 RMM: 9 -0.364129945742E+03 -0.46514E-05 -0.18908E-05 2525 0.129E-02 3611 T= 6554. E= 0.68302088E+03 F= 0.62880142E+03 E0= 0.65895194E+03 EK= 0.54219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363970400501E+03 0.15954E+00 -0.18472E-01 7932 0.238E+01 0.334E-01 RMM: 2 -0.363977747361E+03 -0.73469E-02 -0.59597E-02 5143 0.598E-01 0.812E-01 RMM: 3 -0.363973600053E+03 0.41473E-02 -0.60950E-03 5397 0.169E-01 0.233E-01 RMM: 4 -0.363974512352E+03 -0.91230E-03 -0.21332E-03 4944 0.122E-01 0.468E-01 RMM: 5 -0.363973178333E+03 0.13340E-02 -0.10540E-03 4608 0.881E-02 0.147E-01 RMM: 6 -0.363973167250E+03 0.11083E-04 -0.26171E-04 3897 0.418E-02 0.153E-01 RMM: 7 -0.363973069173E+03 0.98078E-04 -0.16296E-04 3858 0.403E-02 0.105E-01 RMM: 8 -0.363973000531E+03 0.68642E-04 -0.39431E-05 3110 0.192E-02 0.347E-02 RMM: 9 -0.363973004547E+03 -0.40163E-05 -0.17837E-05 2512 0.125E-02 3612 T= 6618. E= 0.68329025E+03 F= 0.62854315E+03 E0= 0.65869934E+03 EK= 0.54747E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363554150012E+03 0.41885E+00 -0.18658E-01 7908 0.239E+01 0.337E-01 RMM: 2 -0.363559795576E+03 -0.56456E-02 -0.52765E-02 5138 0.560E-01 0.707E-01 RMM: 3 -0.363556788494E+03 0.30071E-02 -0.53280E-03 5400 0.158E-01 0.269E-01 RMM: 4 -0.363557739521E+03 -0.95103E-03 -0.21286E-03 4921 0.122E-01 0.489E-01 RMM: 5 -0.363556284090E+03 0.14554E-02 -0.10327E-03 4608 0.874E-02 0.152E-01 RMM: 6 -0.363556218631E+03 0.65459E-04 -0.24663E-04 3893 0.406E-02 0.128E-01 RMM: 7 -0.363556155019E+03 0.63612E-04 -0.15111E-04 3860 0.387E-02 0.997E-02 RMM: 8 -0.363556093761E+03 0.61258E-04 -0.34603E-05 3027 0.184E-02 0.346E-02 RMM: 9 -0.363556097836E+03 -0.40747E-05 -0.19625E-05 2522 0.132E-02 3613 T= 6596. E= 0.68310748E+03 F= 0.62854244E+03 E0= 0.65869556E+03 EK= 0.54565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362849859495E+03 0.70623E+00 -0.18653E-01 7872 0.238E+01 0.344E-01 RMM: 2 -0.362855300924E+03 -0.54414E-02 -0.53724E-02 5010 0.557E-01 0.678E-01 RMM: 3 -0.362852521905E+03 0.27790E-02 -0.57942E-03 5385 0.166E-01 0.272E-01 RMM: 4 -0.362853322818E+03 -0.80091E-03 -0.21987E-03 5057 0.125E-01 0.467E-01 RMM: 5 -0.362851961426E+03 0.13614E-02 -0.91813E-04 4607 0.813E-02 0.126E-01 RMM: 6 -0.362851960293E+03 0.11331E-05 -0.21406E-04 3890 0.378E-02 0.137E-01 RMM: 7 -0.362851869435E+03 0.90858E-04 -0.12980E-04 3853 0.361E-02 0.889E-02 RMM: 8 -0.362851820782E+03 0.48653E-04 -0.29467E-05 2936 0.170E-02 0.327E-02 RMM: 9 -0.362851825773E+03 -0.49909E-05 -0.18722E-05 2511 0.128E-02 3614 T= 6493. E= 0.68253973E+03 F= 0.62882511E+03 E0= 0.65896736E+03 EK= 0.53715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361854012243E+03 0.99781E+00 -0.18273E-01 7668 0.236E+01 0.359E-01 RMM: 2 -0.361859605680E+03 -0.55934E-02 -0.52805E-02 4947 0.554E-01 0.723E-01 RMM: 3 -0.361856445000E+03 0.31607E-02 -0.59798E-03 5380 0.170E-01 0.293E-01 RMM: 4 -0.361857463767E+03 -0.10188E-02 -0.22525E-03 5096 0.124E-01 0.509E-01 RMM: 5 -0.361855845433E+03 0.16183E-02 -0.10085E-03 4608 0.863E-02 0.138E-01 RMM: 6 -0.361855784800E+03 0.60633E-04 -0.21196E-04 3880 0.375E-02 0.114E-01 RMM: 7 -0.361855746282E+03 0.38517E-04 -0.11483E-04 3844 0.332E-02 0.992E-02 RMM: 8 -0.361855682966E+03 0.63316E-04 -0.35619E-05 3053 0.185E-02 0.313E-02 RMM: 9 -0.361855690409E+03 -0.74428E-05 -0.18060E-05 2522 0.125E-02 3615 T= 6346. E= 0.68189456E+03 F= 0.62939478E+03 E0= 0.65951893E+03 EK= 0.52500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360583409677E+03 0.12723E+01 -0.17979E-01 7584 0.234E+01 0.375E-01 RMM: 2 -0.360588756415E+03 -0.53467E-02 -0.53353E-02 4949 0.550E-01 0.718E-01 RMM: 3 -0.360585776393E+03 0.29800E-02 -0.62186E-03 5395 0.174E-01 0.321E-01 RMM: 4 -0.360586715137E+03 -0.93874E-03 -0.21660E-03 5081 0.121E-01 0.512E-01 RMM: 5 -0.360585036387E+03 0.16788E-02 -0.94003E-04 4607 0.824E-02 0.123E-01 RMM: 6 -0.360585016732E+03 0.19655E-04 -0.20998E-04 3883 0.371E-02 0.122E-01 RMM: 7 -0.360584973196E+03 0.43536E-04 -0.89387E-05 3791 0.293E-02 0.103E-01 RMM: 8 -0.360584903976E+03 0.69220E-04 -0.34455E-05 3042 0.178E-02 0.302E-02 RMM: 9 -0.360584912965E+03 -0.89891E-05 -0.17124E-05 2517 0.119E-02 3616 T= 6207. E= 0.68158455E+03 F= 0.63023474E+03 E0= 0.66033598E+03 EK= 0.51350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359070544557E+03 0.15144E+01 -0.17910E-01 7836 0.232E+01 0.384E-01 RMM: 2 -0.359076031436E+03 -0.54869E-02 -0.51857E-02 4979 0.549E-01 0.758E-01 RMM: 3 -0.359072612767E+03 0.34187E-02 -0.61312E-03 5362 0.175E-01 0.323E-01 RMM: 4 -0.359073730704E+03 -0.11179E-02 -0.22779E-03 5111 0.122E-01 0.541E-01 RMM: 5 -0.359071890316E+03 0.18404E-02 -0.10416E-03 4608 0.874E-02 0.139E-01 RMM: 6 -0.359071820806E+03 0.69510E-04 -0.19624E-04 3879 0.357E-02 0.107E-01 RMM: 7 -0.359071801622E+03 0.19184E-04 -0.88506E-05 3779 0.283E-02 3617 T= 6124. E= 0.68197339E+03 F= 0.63131491E+03 E0= 0.66138935E+03 EK= 0.50658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357351941431E+03 0.17199E+01 -0.17594E-01 7848 0.232E+01 0.422E-01 RMM: 2 -0.357356372966E+03 -0.44315E-02 -0.49467E-02 5122 0.540E-01 0.734E-01 RMM: 3 -0.357353692702E+03 0.26803E-02 -0.60601E-03 5345 0.177E-01 0.398E-01 RMM: 4 -0.357354980107E+03 -0.12874E-02 -0.24452E-03 5097 0.125E-01 0.609E-01 RMM: 5 -0.357352523377E+03 0.24567E-02 -0.13788E-03 4608 0.100E-01 0.106E-01 RMM: 6 -0.357352629443E+03 -0.10607E-03 -0.24982E-04 3897 0.402E-02 0.177E-01 RMM: 7 -0.357352470879E+03 0.15856E-03 -0.10801E-04 3819 0.317E-02 0.981E-02 RMM: 8 -0.357352409674E+03 0.61205E-04 -0.47365E-05 3243 0.197E-02 0.377E-02 RMM: 9 -0.357352426598E+03 -0.16924E-04 -0.23071E-05 2618 0.137E-02 3618 T= 6125. E= 0.68327470E+03 F= 0.63260280E+03 E0= 0.66264821E+03 EK= 0.50672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355459216588E+03 0.18932E+01 -0.17574E-01 7572 0.232E+01 0.339E-01 RMM: 2 -0.355465715576E+03 -0.64990E-02 -0.52384E-02 5099 0.547E-01 0.800E-01 RMM: 3 -0.355461626490E+03 0.40891E-02 -0.58615E-03 5348 0.169E-01 0.256E-01 RMM: 4 -0.355462747841E+03 -0.11214E-02 -0.18061E-03 4873 0.107E-01 0.499E-01 RMM: 5 -0.355461178660E+03 0.15692E-02 -0.79367E-04 4606 0.761E-02 0.131E-01 RMM: 6 -0.355461099887E+03 0.78773E-04 -0.18515E-04 3878 0.349E-02 0.843E-02 RMM: 7 -0.355461112222E+03 -0.12334E-04 -0.59705E-05 3436 0.235E-02 3619 T= 6217. E= 0.68550280E+03 F= 0.63406811E+03 E0= 0.66408271E+03 EK= 0.51435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353429233501E+03 0.20319E+01 -0.17941E-01 7992 0.235E+01 0.408E-01 RMM: 2 -0.353433866751E+03 -0.46332E-02 -0.52028E-02 5196 0.557E-01 0.719E-01 RMM: 3 -0.353431262085E+03 0.26047E-02 -0.58840E-03 5353 0.172E-01 0.370E-01 RMM: 4 -0.353432528382E+03 -0.12663E-02 -0.22743E-03 5022 0.122E-01 0.591E-01 RMM: 5 -0.353430222559E+03 0.23058E-02 -0.12292E-03 4608 0.934E-02 0.119E-01 RMM: 6 -0.353430294861E+03 -0.72302E-04 -0.27629E-04 3903 0.423E-02 0.170E-01 RMM: 7 -0.353430158292E+03 0.13657E-03 -0.11769E-04 3826 0.335E-02 0.104E-01 RMM: 8 -0.353430089522E+03 0.68769E-04 -0.38645E-05 3120 0.181E-02 0.377E-02 RMM: 9 -0.353430101872E+03 -0.12349E-04 -0.26275E-05 2738 0.146E-02 3620 T= 6379. E= 0.68845218E+03 F= 0.63568201E+03 E0= 0.66566566E+03 EK= 0.52770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351285886967E+03 0.21442E+01 -0.18261E-01 8232 0.238E+01 0.327E-01 RMM: 2 -0.351293866055E+03 -0.79791E-02 -0.56830E-02 5163 0.586E-01 0.893E-01 RMM: 3 -0.351288737855E+03 0.51282E-02 -0.61165E-03 5375 0.174E-01 0.234E-01 RMM: 4 -0.351289491443E+03 -0.75359E-03 -0.17484E-03 4833 0.106E-01 0.424E-01 RMM: 5 -0.351288408137E+03 0.10833E-02 -0.74860E-04 4608 0.737E-02 0.169E-01 RMM: 6 -0.351288254887E+03 0.15325E-03 -0.20833E-04 3895 0.373E-02 0.848E-02 RMM: 7 -0.351288296619E+03 -0.41732E-04 -0.81381E-05 3637 0.263E-02 0.123E-01 RMM: 8 -0.351288197373E+03 0.99246E-04 -0.36638E-05 3101 0.188E-02 0.237E-02 RMM: 9 -0.351288199156E+03 -0.17825E-05 -0.97595E-06 2474 0.872E-03 3621 T= 6563. E= 0.69171138E+03 F= 0.63741752E+03 E0= 0.66736980E+03 EK= 0.54294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349062139146E+03 0.22261E+01 -0.18163E-01 8052 0.241E+01 0.363E-01 RMM: 2 -0.349069930632E+03 -0.77915E-02 -0.59905E-02 5228 0.583E-01 0.876E-01 RMM: 3 -0.349065062183E+03 0.48684E-02 -0.61967E-03 5392 0.173E-01 0.279E-01 RMM: 4 -0.349066037105E+03 -0.97492E-03 -0.21967E-03 4955 0.121E-01 0.490E-01 RMM: 5 -0.349064527829E+03 0.15093E-02 -0.95469E-04 4608 0.827E-02 0.166E-01 RMM: 6 -0.349064423535E+03 0.10429E-03 -0.25476E-04 3898 0.408E-02 0.120E-01 RMM: 7 -0.349064433848E+03 -0.10313E-04 -0.11713E-04 3856 0.320E-02 3622 T= 6709. E= 0.69474546E+03 F= 0.63924546E+03 E0= 0.66916666E+03 EK= 0.55500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346791455141E+03 0.22730E+01 -0.18539E-01 7884 0.242E+01 0.396E-01 RMM: 2 -0.346801893201E+03 -0.10438E-01 -0.75763E-02 5180 0.666E-01 0.101E+00 RMM: 3 -0.346795427672E+03 0.64655E-02 -0.84786E-03 5387 0.206E-01 0.305E-01 RMM: 4 -0.346796239557E+03 -0.81189E-03 -0.21724E-03 4974 0.115E-01 0.487E-01 RMM: 5 -0.346794729504E+03 0.15101E-02 -0.10916E-03 4604 0.888E-02 0.161E-01 RMM: 6 -0.346794691511E+03 0.37993E-04 -0.25033E-04 3890 0.403E-02 0.150E-01 RMM: 7 -0.346794627812E+03 0.63699E-04 -0.15137E-04 3880 0.363E-02 0.127E-01 RMM: 8 -0.346794525823E+03 0.10199E-03 -0.66671E-05 3448 0.237E-02 0.380E-02 RMM: 9 -0.346794542822E+03 -0.16999E-04 -0.24666E-05 2667 0.142E-02 3623 T= 6763. E= 0.69707611E+03 F= 0.64112820E+03 E0= 0.67102064E+03 EK= 0.55948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344519812573E+03 0.22747E+01 -0.18702E-01 8184 0.241E+01 0.336E-01 RMM: 2 -0.344532108416E+03 -0.12296E-01 -0.80826E-02 5140 0.680E-01 0.106E+00 RMM: 3 -0.344524819534E+03 0.72889E-02 -0.92361E-03 5440 0.213E-01 0.271E-01 RMM: 4 -0.344525124128E+03 -0.30459E-03 -0.16992E-03 4814 0.991E-02 0.364E-01 RMM: 5 -0.344524439866E+03 0.68426E-03 -0.67464E-04 4601 0.691E-02 0.204E-01 RMM: 6 -0.344524183187E+03 0.25668E-03 -0.25621E-04 3889 0.418E-02 0.700E-02 RMM: 7 -0.344524269582E+03 -0.86394E-04 -0.84105E-05 3653 0.259E-02 0.137E-01 RMM: 8 -0.344524145719E+03 0.12386E-03 -0.38873E-05 3122 0.193E-02 0.274E-02 RMM: 9 -0.344524143255E+03 0.24639E-05 -0.91909E-06 2471 0.843E-03 3624 T= 6706. E= 0.69849365E+03 F= 0.64301730E+03 E0= 0.67288102E+03 EK= 0.55476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342305933703E+03 0.22182E+01 -0.18391E-01 7980 0.239E+01 0.384E-01 RMM: 2 -0.342316068078E+03 -0.10134E-01 -0.83501E-02 5208 0.669E-01 0.909E-01 RMM: 3 -0.342310624964E+03 0.54431E-02 -0.84813E-03 5484 0.197E-01 0.295E-01 RMM: 4 -0.342311576467E+03 -0.95150E-03 -0.22827E-03 5005 0.120E-01 0.502E-01 RMM: 5 -0.342309961918E+03 0.16145E-02 -0.10271E-03 4610 0.853E-02 0.166E-01 RMM: 6 -0.342309867243E+03 0.94674E-04 -0.22828E-04 3889 0.380E-02 0.126E-01 RMM: 7 -0.342309855130E+03 0.12113E-04 -0.13020E-04 3885 0.324E-02 3625 T= 6564. E= 0.69915283E+03 F= 0.64485336E+03 E0= 0.67468941E+03 EK= 0.54299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340210155980E+03 0.20997E+01 -0.18475E-01 7800 0.236E+01 0.406E-01 RMM: 2 -0.340221562489E+03 -0.11407E-01 -0.87561E-02 5249 0.683E-01 0.101E+00 RMM: 3 -0.340215127200E+03 0.64353E-02 -0.95303E-03 5508 0.211E-01 0.334E-01 RMM: 4 -0.340215982570E+03 -0.85537E-03 -0.23040E-03 5026 0.118E-01 0.512E-01 RMM: 5 -0.340214353710E+03 0.16289E-02 -0.10249E-03 4600 0.842E-02 0.182E-01 RMM: 6 -0.340214231093E+03 0.12262E-03 -0.27927E-04 3904 0.426E-02 0.131E-01 RMM: 7 -0.340214260708E+03 -0.29615E-04 -0.14626E-04 3881 0.336E-02 0.155E-01 RMM: 8 -0.340214105064E+03 0.15564E-03 -0.73291E-05 3546 0.247E-02 0.430E-02 RMM: 9 -0.340214106829E+03 -0.17651E-05 -0.24517E-05 2708 0.140E-02 3626 T= 6396. E= 0.69948163E+03 F= 0.64657226E+03 E0= 0.67638129E+03 EK= 0.52909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338306259138E+03 0.19078E+01 -0.18583E-01 8064 0.233E+01 0.371E-01 RMM: 2 -0.338321604638E+03 -0.15345E-01 -0.90648E-02 5273 0.690E-01 0.122E+00 RMM: 3 -0.338311486285E+03 0.10118E-01 -0.99564E-03 5487 0.217E-01 0.252E-01 RMM: 4 -0.338312260209E+03 -0.77392E-03 -0.20641E-03 4894 0.108E-01 0.446E-01 RMM: 5 -0.338311109637E+03 0.11506E-02 -0.77046E-04 4600 0.734E-02 0.193E-01 RMM: 6 -0.338310885634E+03 0.22400E-03 -0.22280E-04 3901 0.383E-02 0.749E-02 RMM: 7 -0.338310963552E+03 -0.77917E-04 -0.93434E-05 3726 0.258E-02 0.134E-01 RMM: 8 -0.338310845568E+03 0.11798E-03 -0.46136E-05 3232 0.208E-02 0.347E-02 RMM: 9 -0.338310841273E+03 0.42953E-05 -0.11053E-05 2488 0.922E-03 3627 T= 6269. E= 0.69996211E+03 F= 0.64809990E+03 E0= 0.67788118E+03 EK= 0.51862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336679035156E+03 0.16318E+01 -0.18123E-01 8268 0.231E+01 0.405E-01 RMM: 2 -0.336691970125E+03 -0.12935E-01 -0.84778E-02 5387 0.667E-01 0.113E+00 RMM: 3 -0.336683607242E+03 0.83629E-02 -0.87646E-03 5450 0.205E-01 0.301E-01 RMM: 4 -0.336684535177E+03 -0.92793E-03 -0.24559E-03 5037 0.121E-01 0.498E-01 RMM: 5 -0.336683050229E+03 0.14849E-02 -0.96984E-04 4608 0.825E-02 0.207E-01 RMM: 6 -0.336682806442E+03 0.24379E-03 -0.24043E-04 3897 0.400E-02 0.984E-02 RMM: 7 -0.336682890551E+03 -0.84109E-04 -0.14287E-04 3883 0.318E-02 0.157E-01 RMM: 8 -0.336682726796E+03 0.16376E-03 -0.76621E-05 3559 0.255E-02 0.381E-02 RMM: 9 -0.336682727676E+03 -0.88045E-06 -0.19275E-05 2562 0.124E-02 3628 T= 6236. E= 0.70094020E+03 F= 0.64935489E+03 E0= 0.67910782E+03 EK= 0.51585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335407251256E+03 0.12755E+01 -0.18126E-01 8328 0.231E+01 0.408E-01 RMM: 2 -0.335427578620E+03 -0.20327E-01 -0.93088E-02 5326 0.704E-01 0.149E+00 RMM: 3 -0.335412498733E+03 0.15080E-01 -0.10903E-02 5414 0.236E-01 0.298E-01 RMM: 4 -0.335413003369E+03 -0.50464E-03 -0.25180E-03 5075 0.119E-01 0.426E-01 RMM: 5 -0.335412033090E+03 0.97028E-03 -0.85634E-04 4600 0.773E-02 0.226E-01 RMM: 6 -0.335411730935E+03 0.30215E-03 -0.25128E-04 3908 0.413E-02 0.873E-02 RMM: 7 -0.335411824724E+03 -0.93789E-04 -0.13103E-04 3874 0.302E-02 0.151E-01 RMM: 8 -0.335411676585E+03 0.14814E-03 -0.64530E-05 3469 0.238E-02 0.465E-02 RMM: 9 -0.335411667224E+03 0.93613E-05 -0.15809E-05 2531 0.114E-02 3629 T= 6317. E= 0.70251668E+03 F= 0.65025737E+03 E0= 0.67998068E+03 EK= 0.52259E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334553614052E+03 0.85806E+00 -0.18119E-01 8388 0.232E+01 0.395E-01 RMM: 2 -0.334572457834E+03 -0.18844E-01 -0.90424E-02 5404 0.686E-01 0.144E+00 RMM: 3 -0.334558780521E+03 0.13677E-01 -0.10055E-02 5413 0.227E-01 0.288E-01 RMM: 4 -0.334559229560E+03 -0.44904E-03 -0.22494E-03 4913 0.112E-01 0.412E-01 RMM: 5 -0.334558443024E+03 0.78654E-03 -0.80116E-04 4611 0.746E-02 0.251E-01 RMM: 6 -0.334558052176E+03 0.39085E-03 -0.29437E-04 3927 0.453E-02 0.883E-02 RMM: 7 -0.334558156002E+03 -0.10383E-03 -0.15028E-04 3874 0.328E-02 0.158E-01 RMM: 8 -0.334557994234E+03 0.16177E-03 -0.75327E-05 3551 0.257E-02 0.446E-02 RMM: 9 -0.334557986311E+03 0.79229E-05 -0.16760E-05 2549 0.118E-02 3630 T= 6497. E= 0.70449764E+03 F= 0.65074875E+03 E0= 0.68044121E+03 EK= 0.53749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334127243867E+03 0.43075E+00 -0.18713E-01 8364 0.236E+01 0.372E-01 RMM: 2 -0.334149266565E+03 -0.22023E-01 -0.10382E-01 5256 0.731E-01 0.149E+00 RMM: 3 -0.334133955490E+03 0.15311E-01 -0.11259E-02 5397 0.238E-01 0.288E-01 RMM: 4 -0.334134063917E+03 -0.10843E-03 -0.21360E-03 4933 0.108E-01 0.347E-01 RMM: 5 -0.334133441468E+03 0.62245E-03 -0.83262E-04 4600 0.783E-02 0.203E-01 RMM: 6 -0.334133240984E+03 0.20048E-03 -0.25801E-04 3903 0.416E-02 0.110E-01 RMM: 7 -0.334133307472E+03 -0.66488E-04 -0.13945E-04 3881 0.332E-02 0.152E-01 RMM: 8 -0.334133155043E+03 0.15243E-03 -0.65263E-05 3466 0.239E-02 0.405E-02 RMM: 9 -0.334133150489E+03 0.45538E-05 -0.14931E-05 2519 0.110E-02 3631 T= 6718. E= 0.70639533E+03 F= 0.65081793E+03 E0= 0.68047883E+03 EK= 0.55577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334077861238E+03 0.55294E-01 -0.20833E-01 8556 0.240E+01 0.375E-01 RMM: 2 -0.334103412051E+03 -0.25551E-01 -0.13310E-01 5146 0.834E-01 0.154E+00 RMM: 3 -0.334087311195E+03 0.16101E-01 -0.14887E-02 5438 0.266E-01 0.291E-01 RMM: 4 -0.334087137176E+03 0.17402E-03 -0.20022E-03 4925 0.103E-01 0.298E-01 RMM: 5 -0.334086865962E+03 0.27121E-03 -0.85671E-04 4608 0.789E-02 0.251E-01 RMM: 6 -0.334086511620E+03 0.35434E-03 -0.34574E-04 3978 0.488E-02 0.110E-01 RMM: 7 -0.334086631597E+03 -0.11998E-03 -0.19999E-04 3882 0.391E-02 0.179E-01 RMM: 8 -0.334086424527E+03 0.20707E-03 -0.10113E-04 3694 0.297E-02 0.436E-02 RMM: 9 -0.334086418718E+03 0.58086E-05 -0.18543E-05 2569 0.125E-02 3632 T= 6893. E= 0.70753749E+03 F= 0.65051409E+03 E0= 0.68014357E+03 EK= 0.57023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334317677459E+03 -0.23125E+00 -0.22468E-01 8892 0.244E+01 0.330E-01 RMM: 2 -0.334337049925E+03 -0.19372E-01 -0.13999E-01 5205 0.830E-01 0.112E+00 RMM: 3 -0.334328184646E+03 0.88653E-02 -0.13324E-02 5557 0.238E-01 0.279E-01 RMM: 4 -0.334328018163E+03 0.16648E-03 -0.16443E-03 4839 0.949E-02 0.290E-01 RMM: 5 -0.334327500947E+03 0.51722E-03 -0.85658E-04 4601 0.806E-02 0.159E-01 RMM: 6 -0.334327522317E+03 -0.21370E-04 -0.33742E-04 3968 0.473E-02 0.172E-01 RMM: 7 -0.334327484381E+03 0.37936E-04 -0.16236E-04 3885 0.374E-02 0.159E-01 RMM: 8 -0.334327321292E+03 0.16309E-03 -0.73965E-05 3531 0.247E-02 0.412E-02 RMM: 9 -0.334327319368E+03 0.19238E-05 -0.17538E-05 2547 0.121E-02 3633 T= 6941. E= 0.70734229E+03 F= 0.64992435E+03 E0= 0.67952375E+03 EK= 0.57418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334756289886E+03 -0.42897E+00 -0.24572E-01 8904 0.245E+01 0.367E-01 RMM: 2 -0.334781440491E+03 -0.25151E-01 -0.15598E-01 5185 0.883E-01 0.139E+00 RMM: 3 -0.334767921346E+03 0.13519E-01 -0.15647E-02 5523 0.262E-01 0.283E-01 RMM: 4 -0.334767790058E+03 0.13129E-03 -0.19599E-03 4988 0.103E-01 0.311E-01 RMM: 5 -0.334767387292E+03 0.40277E-03 -0.93841E-04 4608 0.830E-02 0.234E-01 RMM: 6 -0.334767132151E+03 0.25514E-03 -0.35763E-04 4018 0.490E-02 0.131E-01 RMM: 7 -0.334767230060E+03 -0.97909E-04 -0.20704E-04 3881 0.405E-02 0.184E-01 RMM: 8 -0.334767011960E+03 0.21810E-03 -0.10582E-04 3737 0.301E-02 0.463E-02 RMM: 9 -0.334767007460E+03 0.44997E-05 -0.19871E-05 2582 0.129E-02 3634 T= 6832. E= 0.70565462E+03 F= 0.64913317E+03 E0= 0.67870433E+03 EK= 0.56521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335336989270E+03 -0.56998E+00 -0.25275E-01 9072 0.244E+01 0.354E-01 RMM: 2 -0.335357230035E+03 -0.20241E-01 -0.14696E-01 5296 0.823E-01 0.114E+00 RMM: 3 -0.335347538132E+03 0.96919E-02 -0.11784E-02 5453 0.235E-01 0.285E-01 RMM: 4 -0.335347719971E+03 -0.18184E-03 -0.19943E-03 4970 0.107E-01 0.354E-01 RMM: 5 -0.335346994023E+03 0.72595E-03 -0.89834E-04 4607 0.802E-02 0.190E-01 RMM: 6 -0.335346868791E+03 0.12523E-03 -0.32115E-04 3960 0.460E-02 0.137E-01 RMM: 7 -0.335346906245E+03 -0.37454E-04 -0.16808E-04 3884 0.377E-02 0.162E-01 RMM: 8 -0.335346738616E+03 0.16763E-03 -0.75093E-05 3540 0.254E-02 0.440E-02 RMM: 9 -0.335346734357E+03 0.42592E-05 -0.18230E-05 2553 0.124E-02 3635 T= 6609. E= 0.70287106E+03 F= 0.64819508E+03 E0= 0.67774021E+03 EK= 0.54676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336029390817E+03 -0.68265E+00 -0.26690E-01 9012 0.240E+01 0.373E-01 RMM: 2 -0.336051917749E+03 -0.22527E-01 -0.15344E-01 5191 0.846E-01 0.126E+00 RMM: 3 -0.336040395016E+03 0.11523E-01 -0.12712E-02 5483 0.244E-01 0.259E-01 RMM: 4 -0.336041069520E+03 -0.67450E-03 -0.22723E-03 5149 0.116E-01 0.435E-01 RMM: 5 -0.336040034918E+03 0.10346E-02 -0.93318E-04 4594 0.811E-02 0.219E-01 RMM: 6 -0.336039774420E+03 0.26050E-03 -0.29365E-04 3914 0.440E-02 0.104E-01 RMM: 7 -0.336039822974E+03 -0.48553E-04 -0.16091E-04 3880 0.366E-02 0.141E-01 RMM: 8 -0.336039692049E+03 0.13092E-03 -0.69737E-05 3482 0.248E-02 0.363E-02 RMM: 9 -0.336039693079E+03 -0.10294E-05 -0.18012E-05 2557 0.123E-02 3636 T= 6357. E= 0.69972667E+03 F= 0.64713405E+03 E0= 0.67665549E+03 EK= 0.52593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336826037363E+03 -0.78635E+00 -0.25337E-01 8952 0.237E+01 0.373E-01 RMM: 2 -0.336845012006E+03 -0.18975E-01 -0.13533E-01 5451 0.771E-01 0.115E+00 RMM: 3 -0.336835035344E+03 0.99767E-02 -0.95841E-03 5388 0.217E-01 0.267E-01 RMM: 4 -0.336835857959E+03 -0.82261E-03 -0.23921E-03 5136 0.120E-01 0.455E-01 RMM: 5 -0.336834562112E+03 0.12958E-02 -0.93619E-04 4608 0.819E-02 0.164E-01 RMM: 6 -0.336834451860E+03 0.11025E-03 -0.22372E-04 3890 0.380E-02 0.113E-01 RMM: 7 -0.336834453508E+03 -0.16482E-05 -0.12626E-04 3878 0.329E-02 3637 T= 6163. E= 0.69694385E+03 F= 0.64596087E+03 E0= 0.67546112E+03 EK= 0.50983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337709458766E+03 -0.87501E+00 -0.24258E-01 8880 0.236E+01 0.409E-01 RMM: 2 -0.337724050665E+03 -0.14592E-01 -0.12793E-01 5556 0.744E-01 0.926E-01 RMM: 3 -0.337717591930E+03 0.64587E-02 -0.84518E-03 5511 0.198E-01 0.323E-01 RMM: 4 -0.337718706881E+03 -0.11150E-02 -0.25773E-03 4968 0.127E-01 0.540E-01 RMM: 5 -0.337716809508E+03 0.18974E-02 -0.12773E-03 4609 0.962E-02 0.153E-01 RMM: 6 -0.337716792447E+03 0.17061E-04 -0.27429E-04 3912 0.421E-02 0.153E-01 RMM: 7 -0.337716729499E+03 0.62948E-04 -0.16506E-04 3882 0.381E-02 0.131E-01 RMM: 8 -0.337716620348E+03 0.10915E-03 -0.77569E-05 3548 0.256E-02 0.418E-02 RMM: 9 -0.337716629114E+03 -0.87664E-05 -0.23314E-05 2629 0.140E-02 3638 T= 6081. E= 0.69499967E+03 F= 0.64469155E+03 E0= 0.67417341E+03 EK= 0.50308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338652202293E+03 -0.93558E+00 -0.23047E-01 8964 0.236E+01 0.341E-01 RMM: 2 -0.338669763564E+03 -0.17561E-01 -0.11792E-01 5462 0.726E-01 0.113E+00 RMM: 3 -0.338660178231E+03 0.95853E-02 -0.89207E-03 5399 0.208E-01 0.238E-01 RMM: 4 -0.338660810832E+03 -0.63260E-03 -0.18967E-03 4785 0.106E-01 0.402E-01 RMM: 5 -0.338659861804E+03 0.94903E-03 -0.74924E-04 4602 0.734E-02 0.178E-01 RMM: 6 -0.338659692011E+03 0.16979E-03 -0.24312E-04 3897 0.403E-02 0.891E-02 RMM: 7 -0.338659745110E+03 -0.53100E-04 -0.10811E-04 3843 0.296E-02 0.131E-01 RMM: 8 -0.338659632624E+03 0.11249E-03 -0.50929E-05 3322 0.217E-02 0.291E-02 RMM: 9 -0.338659631020E+03 0.16039E-05 -0.98803E-06 2483 0.912E-03 3639 T= 6129. E= 0.69405962E+03 F= 0.64335589E+03 E0= 0.67282339E+03 EK= 0.50704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339612033395E+03 -0.95240E+00 -0.22438E-01 8760 0.239E+01 0.373E-01 RMM: 2 -0.339626104663E+03 -0.14071E-01 -0.11892E-01 5368 0.743E-01 0.925E-01 RMM: 3 -0.339619985340E+03 0.61193E-02 -0.92858E-03 5724 0.196E-01 0.271E-01 RMM: 4 -0.339620779368E+03 -0.79403E-03 -0.22898E-03 4941 0.121E-01 0.476E-01 RMM: 5 -0.339619339182E+03 0.14402E-02 -0.11943E-03 4608 0.939E-02 0.154E-01 RMM: 6 -0.339619319759E+03 0.19423E-04 -0.27884E-04 3904 0.431E-02 0.152E-01 RMM: 7 -0.339619232170E+03 0.87589E-04 -0.15291E-04 3874 0.384E-02 0.112E-01 RMM: 8 -0.339619152783E+03 0.79387E-04 -0.45903E-05 3217 0.204E-02 0.396E-02 RMM: 9 -0.339619156017E+03 -0.32343E-05 -0.20672E-05 2554 0.132E-02 3640 T= 6284. E= 0.69399084E+03 F= 0.64200174E+03 E0= 0.67146075E+03 EK= 0.51989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340530551815E+03 -0.91140E+00 -0.21572E-01 8556 0.242E+01 0.365E-01 RMM: 2 -0.340550344587E+03 -0.19793E-01 -0.11780E-01 5251 0.774E-01 0.130E+00 RMM: 3 -0.340538628928E+03 0.11716E-01 -0.11341E-02 5479 0.230E-01 0.259E-01 RMM: 4 -0.340538890103E+03 -0.26118E-03 -0.19398E-03 4897 0.106E-01 0.359E-01 RMM: 5 -0.340538193676E+03 0.69643E-03 -0.10115E-03 4608 0.877E-02 0.202E-01 RMM: 6 -0.340538008656E+03 0.18502E-03 -0.31181E-04 3911 0.458E-02 0.122E-01 RMM: 7 -0.340538024209E+03 -0.15553E-04 -0.17377E-04 3885 0.393E-02 3641 T= 6492. E= 0.69439441E+03 F= 0.64068887E+03 E0= 0.67014630E+03 EK= 0.53706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341345386538E+03 -0.80738E+00 -0.20644E-01 8328 0.245E+01 0.386E-01 RMM: 2 -0.341358774057E+03 -0.13388E-01 -0.11444E-01 5261 0.766E-01 0.928E-01 RMM: 3 -0.341353122209E+03 0.56518E-02 -0.10535E-02 5671 0.209E-01 0.303E-01 RMM: 4 -0.341353645039E+03 -0.52283E-03 -0.20866E-03 4918 0.115E-01 0.462E-01 RMM: 5 -0.341352305069E+03 0.13400E-02 -0.16139E-03 4616 0.112E-01 0.155E-01 RMM: 6 -0.341352391239E+03 -0.86170E-04 -0.46868E-04 4275 0.564E-02 0.206E-01 RMM: 7 -0.341352162037E+03 0.22920E-03 -0.24158E-04 3886 0.475E-02 0.103E-01 RMM: 8 -0.341352100776E+03 0.61261E-04 -0.48678E-05 3239 0.210E-02 0.505E-02 RMM: 9 -0.341352108561E+03 -0.77853E-05 -0.34674E-05 2892 0.171E-02 3642 T= 6674. E= 0.69469722E+03 F= 0.63948210E+03 E0= 0.66894442E+03 EK= 0.55215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341996759303E+03 -0.64466E+00 -0.20049E-01 8088 0.246E+01 0.306E-01 RMM: 2 -0.342011131977E+03 -0.14373E-01 -0.10654E-01 5181 0.744E-01 0.977E-01 RMM: 3 -0.342004507297E+03 0.66247E-02 -0.10560E-02 5653 0.207E-01 0.197E-01 RMM: 4 -0.342004843490E+03 -0.33619E-03 -0.14437E-03 4769 0.934E-02 0.351E-01 RMM: 5 -0.342004145019E+03 0.69847E-03 -0.80915E-04 4608 0.796E-02 0.156E-01 RMM: 6 -0.342004073673E+03 0.71345E-04 -0.27246E-04 3906 0.425E-02 0.123E-01 RMM: 7 -0.342004051007E+03 0.22666E-04 -0.11268E-04 3849 0.325E-02 0.115E-01 RMM: 8 -0.342003964499E+03 0.86508E-04 -0.37107E-05 3090 0.188E-02 0.276E-02 RMM: 9 -0.342003963688E+03 0.81085E-06 -0.10138E-05 2469 0.934E-03 3643 T= 6759. E= 0.69435085E+03 F= 0.63843751E+03 E0= 0.66791159E+03 EK= 0.55913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342450525197E+03 -0.44656E+00 -0.19661E-01 7992 0.246E+01 0.370E-01 RMM: 2 -0.342460000434E+03 -0.94752E-02 -0.92909E-02 5237 0.693E-01 0.750E-01 RMM: 3 -0.342456355227E+03 0.36452E-02 -0.84946E-03 5723 0.182E-01 0.284E-01 RMM: 4 -0.342457162141E+03 -0.80691E-03 -0.22269E-03 4926 0.122E-01 0.496E-01 RMM: 5 -0.342455584871E+03 0.15773E-02 -0.13672E-03 4608 0.101E-01 0.137E-01 RMM: 6 -0.342455650242E+03 -0.65371E-04 -0.35611E-04 3930 0.493E-02 0.182E-01 RMM: 7 -0.342455476581E+03 0.17366E-03 -0.18096E-04 3873 0.424E-02 0.945E-02 RMM: 8 -0.342455422944E+03 0.53637E-04 -0.33409E-05 2960 0.177E-02 0.421E-02 RMM: 9 -0.342455424756E+03 -0.18116E-05 -0.24077E-05 2585 0.144E-02 3644 T= 6710. E= 0.69309707E+03 F= 0.63759052E+03 E0= 0.66708222E+03 EK= 0.55507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342692225352E+03 -0.23680E+00 -0.19529E-01 7776 0.243E+01 0.344E-01 RMM: 2 -0.342703183851E+03 -0.10958E-01 -0.93552E-02 5055 0.712E-01 0.841E-01 RMM: 3 -0.342698419223E+03 0.47646E-02 -0.98781E-03 5675 0.200E-01 0.240E-01 RMM: 4 -0.342699195201E+03 -0.77598E-03 -0.18770E-03 4969 0.110E-01 0.459E-01 RMM: 5 -0.342697904570E+03 0.12906E-02 -0.10384E-03 4608 0.887E-02 0.149E-01 RMM: 6 -0.342697844187E+03 0.60383E-04 -0.22790E-04 3888 0.387E-02 0.126E-01 RMM: 7 -0.342697804994E+03 0.39193E-04 -0.13511E-04 3868 0.356E-02 0.111E-01 RMM: 8 -0.342697725468E+03 0.79526E-04 -0.45092E-05 3242 0.205E-02 0.335E-02 RMM: 9 -0.342697728129E+03 -0.26611E-05 -0.16854E-05 2523 0.122E-02 3645 T= 6548. E= 0.69111526E+03 F= 0.63694689E+03 E0= 0.66645949E+03 EK= 0.54168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342749253092E+03 -0.51528E-01 -0.18256E-01 7572 0.239E+01 0.373E-01 RMM: 2 -0.342756102047E+03 -0.68490E-02 -0.77279E-02 5098 0.638E-01 0.629E-01 RMM: 3 -0.342753733335E+03 0.23687E-02 -0.75169E-03 5505 0.182E-01 0.323E-01 RMM: 4 -0.342754592074E+03 -0.85874E-03 -0.20827E-03 5006 0.116E-01 0.508E-01 RMM: 5 -0.342752932360E+03 0.16597E-02 -0.11014E-03 4602 0.896E-02 0.140E-01 RMM: 6 -0.342752872505E+03 0.59855E-04 -0.21932E-04 3890 0.380E-02 0.117E-01 RMM: 7 -0.342752842973E+03 0.29531E-04 -0.11484E-04 3861 0.330E-02 0.107E-01 RMM: 8 -0.342752766190E+03 0.76783E-04 -0.39653E-05 3130 0.192E-02 0.340E-02 RMM: 9 -0.342752769595E+03 -0.34049E-05 -0.17229E-05 2525 0.120E-02 3646 T= 6339. E= 0.68892146E+03 F= 0.63648274E+03 E0= 0.66601715E+03 EK= 0.52439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342656302833E+03 0.96463E-01 -0.17673E-01 7728 0.234E+01 0.373E-01 RMM: 2 -0.342663692145E+03 -0.73893E-02 -0.73960E-02 4998 0.625E-01 0.724E-01 RMM: 3 -0.342660431169E+03 0.32610E-02 -0.77997E-03 5472 0.187E-01 0.313E-01 RMM: 4 -0.342661427475E+03 -0.99631E-03 -0.21602E-03 5068 0.118E-01 0.517E-01 RMM: 5 -0.342659695833E+03 0.17316E-02 -0.99938E-04 4607 0.856E-02 0.119E-01 RMM: 6 -0.342659674582E+03 0.21251E-04 -0.18777E-04 3885 0.345E-02 0.118E-01 RMM: 7 -0.342659632320E+03 0.42262E-04 -0.99798E-05 3835 0.300E-02 0.989E-02 RMM: 8 -0.342659568425E+03 0.63895E-04 -0.37042E-05 3084 0.188E-02 0.318E-02 RMM: 9 -0.342659573658E+03 -0.52333E-05 -0.14800E-05 2514 0.112E-02 3647 T= 6159. E= 0.68711241E+03 F= 0.63615905E+03 E0= 0.66571457E+03 EK= 0.50953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342455300586E+03 0.20427E+00 -0.17835E-01 7740 0.232E+01 0.386E-01 RMM: 2 -0.342463861561E+03 -0.85610E-02 -0.80481E-02 4959 0.652E-01 0.791E-01 RMM: 3 -0.342459827595E+03 0.40340E-02 -0.84706E-03 5455 0.194E-01 0.304E-01 RMM: 4 -0.342460954226E+03 -0.11266E-02 -0.24156E-03 5125 0.124E-01 0.532E-01 RMM: 5 -0.342459195174E+03 0.17591E-02 -0.10550E-03 4604 0.873E-02 0.165E-01 RMM: 6 -0.342459054697E+03 0.14048E-03 -0.22934E-04 3905 0.387E-02 0.967E-02 RMM: 7 -0.342459067204E+03 -0.12507E-04 -0.10303E-04 3850 0.301E-02 3648 T= 6069. E= 0.68614039E+03 F= 0.63593709E+03 E0= 0.66551104E+03 EK= 0.50203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342177238159E+03 0.28182E+00 -0.17478E-01 7944 0.231E+01 0.415E-01 RMM: 2 -0.342183069837E+03 -0.58317E-02 -0.68022E-02 4987 0.607E-01 0.664E-01 RMM: 3 -0.342180761984E+03 0.23079E-02 -0.78285E-03 5371 0.197E-01 0.408E-01 RMM: 4 -0.342181990668E+03 -0.12287E-02 -0.24139E-03 5132 0.124E-01 0.611E-01 RMM: 5 -0.342179593037E+03 0.23976E-02 -0.13508E-03 4611 0.987E-02 0.134E-01 RMM: 6 -0.342179595838E+03 -0.28013E-05 -0.27238E-04 3888 0.424E-02 0.147E-01 RMM: 7 -0.342179496291E+03 0.99547E-04 -0.12976E-04 3882 0.350E-02 0.994E-02 RMM: 8 -0.342179435947E+03 0.60345E-04 -0.38779E-05 3106 0.188E-02 0.425E-02 RMM: 9 -0.342179446653E+03 -0.10707E-04 -0.26962E-05 2778 0.147E-02 3649 T= 6095. E= 0.68621164E+03 F= 0.63579252E+03 E0= 0.66538151E+03 EK= 0.50419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341826166500E+03 0.35327E+00 -0.17995E-01 7884 0.232E+01 0.328E-01 RMM: 2 -0.341835572834E+03 -0.94063E-02 -0.73195E-02 4925 0.629E-01 0.863E-01 RMM: 3 -0.341830562478E+03 0.50104E-02 -0.79086E-03 5469 0.186E-01 0.222E-01 RMM: 4 -0.341831454610E+03 -0.89213E-03 -0.18736E-03 5030 0.109E-01 0.450E-01 RMM: 5 -0.341830206933E+03 0.12477E-02 -0.80313E-04 4608 0.774E-02 0.153E-01 RMM: 6 -0.341830092612E+03 0.11432E-03 -0.21001E-04 3892 0.376E-02 0.909E-02 RMM: 7 -0.341830103587E+03 -0.10974E-04 -0.80784E-05 3669 0.272E-02 3650 T= 6231. E= 0.68726392E+03 F= 0.63572023E+03 E0= 0.66531914E+03 EK= 0.51544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341399303065E+03 0.43079E+00 -0.18275E-01 8088 0.236E+01 0.392E-01 RMM: 2 -0.341404412990E+03 -0.51099E-02 -0.66722E-02 5181 0.600E-01 0.566E-01 RMM: 3 -0.341402833235E+03 0.15798E-02 -0.68200E-03 5386 0.180E-01 0.389E-01 RMM: 4 -0.341403591091E+03 -0.75786E-03 -0.22015E-03 5059 0.123E-01 0.540E-01 RMM: 5 -0.341401702860E+03 0.18882E-02 -0.10137E-03 4612 0.845E-02 0.128E-01 RMM: 6 -0.341401786563E+03 -0.83703E-04 -0.32826E-04 3946 0.468E-02 0.183E-01 RMM: 7 -0.341401613494E+03 0.17307E-03 -0.16522E-04 3882 0.395E-02 0.100E-01 RMM: 8 -0.341401552846E+03 0.60647E-04 -0.43035E-05 3169 0.196E-02 0.421E-02 RMM: 9 -0.341401564293E+03 -0.11447E-04 -0.27529E-05 2731 0.151E-02 3651 T= 6435. E= 0.68897093E+03 F= 0.63573301E+03 E0= 0.66533669E+03 EK= 0.53238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340870905842E+03 0.53065E+00 -0.19051E-01 8172 0.239E+01 0.311E-01 RMM: 2 -0.340882742100E+03 -0.11836E-01 -0.88740E-02 4983 0.698E-01 0.929E-01 RMM: 3 -0.340876896351E+03 0.58457E-02 -0.92853E-03 5595 0.196E-01 0.209E-01 RMM: 4 -0.340877378432E+03 -0.48208E-03 -0.16420E-03 4922 0.102E-01 0.381E-01 RMM: 5 -0.340876515399E+03 0.86303E-03 -0.78273E-04 4608 0.770E-02 0.163E-01 RMM: 6 -0.340876422754E+03 0.92646E-04 -0.28485E-04 3910 0.438E-02 0.120E-01 RMM: 7 -0.340876406492E+03 0.16261E-04 -0.10747E-04 3835 0.321E-02 3652 T= 6641. E= 0.69078613E+03 F= 0.63584963E+03 E0= 0.66545024E+03 EK= 0.54937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340243347601E+03 0.63308E+00 -0.19458E-01 8472 0.242E+01 0.396E-01 RMM: 2 -0.340250495514E+03 -0.71479E-02 -0.79973E-02 5296 0.649E-01 0.663E-01 RMM: 3 -0.340247740725E+03 0.27548E-02 -0.76224E-03 5407 0.190E-01 0.334E-01 RMM: 4 -0.340248590086E+03 -0.84936E-03 -0.22466E-03 5039 0.124E-01 0.525E-01 RMM: 5 -0.340246826112E+03 0.17640E-02 -0.10338E-03 4608 0.856E-02 0.141E-01 RMM: 6 -0.340246948249E+03 -0.12214E-03 -0.38094E-04 4101 0.503E-02 0.207E-01 RMM: 7 -0.340246726025E+03 0.22222E-03 -0.19711E-04 3883 0.427E-02 0.108E-01 RMM: 8 -0.340246656020E+03 0.70005E-04 -0.51726E-05 3278 0.213E-02 0.450E-02 RMM: 9 -0.340246670741E+03 -0.14722E-04 -0.28711E-05 2721 0.154E-02 3653 T= 6771. E= 0.69209358E+03 F= 0.63607710E+03 E0= 0.66566851E+03 EK= 0.56016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339525524698E+03 0.72113E+00 -0.20141E-01 8436 0.242E+01 0.313E-01 RMM: 2 -0.339537577424E+03 -0.12053E-01 -0.91619E-02 5132 0.693E-01 0.920E-01 RMM: 3 -0.339531790863E+03 0.57866E-02 -0.89685E-03 5598 0.195E-01 0.231E-01 RMM: 4 -0.339532140083E+03 -0.34922E-03 -0.15565E-03 4769 0.974E-02 0.367E-01 RMM: 5 -0.339531342028E+03 0.79806E-03 -0.79329E-04 4608 0.780E-02 0.162E-01 RMM: 6 -0.339531244414E+03 0.97613E-04 -0.28934E-04 3912 0.440E-02 0.117E-01 RMM: 7 -0.339531228646E+03 0.15768E-04 -0.10395E-04 3829 0.312E-02 3654 T= 6778. E= 0.69246322E+03 F= 0.63639388E+03 E0= 0.66596831E+03 EK= 0.56069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338778531067E+03 0.75271E+00 -0.19737E-01 8484 0.241E+01 0.424E-01 RMM: 2 -0.338787523036E+03 -0.89920E-02 -0.90592E-02 5354 0.679E-01 0.802E-01 RMM: 3 -0.338783347305E+03 0.41757E-02 -0.84361E-03 5524 0.198E-01 0.333E-01 RMM: 4 -0.338784539699E+03 -0.11924E-02 -0.23603E-03 5185 0.122E-01 0.574E-01 RMM: 5 -0.338782380166E+03 0.21595E-02 -0.13143E-03 4608 0.981E-02 0.144E-01 RMM: 6 -0.338782488157E+03 -0.10799E-03 -0.35252E-04 3969 0.476E-02 0.202E-01 RMM: 7 -0.338782279976E+03 0.20818E-03 -0.16012E-04 3881 0.387E-02 0.109E-01 RMM: 8 -0.338782206488E+03 0.73488E-04 -0.51279E-05 3298 0.206E-02 0.428E-02 RMM: 9 -0.338782223253E+03 -0.16765E-04 -0.29217E-05 2773 0.154E-02 3655 T= 6663. E= 0.69186620E+03 F= 0.63674442E+03 E0= 0.66629717E+03 EK= 0.55122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338068641731E+03 0.71356E+00 -0.19514E-01 8352 0.238E+01 0.327E-01 RMM: 2 -0.338079157674E+03 -0.10516E-01 -0.10338E-01 5183 0.714E-01 0.690E-01 RMM: 3 -0.338075700193E+03 0.34575E-02 -0.95354E-03 5805 0.194E-01 0.266E-01 RMM: 4 -0.338076198473E+03 -0.49828E-03 -0.15849E-03 4839 0.993E-02 0.422E-01 RMM: 5 -0.338075080193E+03 0.11183E-02 -0.83711E-04 4608 0.786E-02 0.146E-01 RMM: 6 -0.338074995444E+03 0.84749E-04 -0.22444E-04 3902 0.386E-02 0.103E-01 RMM: 7 -0.338074989785E+03 0.56590E-05 -0.79343E-05 3611 0.268E-02 3656 T= 6481. E= 0.69066970E+03 F= 0.63705060E+03 E0= 0.66657754E+03 EK= 0.53619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337481134647E+03 0.59386E+00 -0.18852E-01 8424 0.234E+01 0.438E-01 RMM: 2 -0.337490677812E+03 -0.95432E-02 -0.10307E-01 5265 0.716E-01 0.759E-01 RMM: 3 -0.337487040134E+03 0.36377E-02 -0.98501E-03 5666 0.209E-01 0.373E-01 RMM: 4 -0.337488320805E+03 -0.12807E-02 -0.23397E-03 5143 0.120E-01 0.612E-01 RMM: 5 -0.337485833846E+03 0.24870E-02 -0.13815E-03 4608 0.999E-02 0.126E-01 RMM: 6 -0.337485930421E+03 -0.96575E-04 -0.31978E-04 3922 0.453E-02 0.184E-01 RMM: 7 -0.337485769159E+03 0.16126E-03 -0.13452E-04 3875 0.347E-02 0.111E-01 RMM: 8 -0.337485689614E+03 0.79545E-04 -0.52497E-05 3321 0.206E-02 0.390E-02 RMM: 9 -0.337485704195E+03 -0.14581E-04 -0.25125E-05 2667 0.144E-02 3657 T= 6308. E= 0.68942019E+03 F= 0.63723495E+03 E0= 0.66673398E+03 EK= 0.52185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337065523528E+03 0.42017E+00 -0.19009E-01 8724 0.231E+01 0.341E-01 RMM: 2 -0.337075589320E+03 -0.10066E-01 -0.10022E-01 5244 0.689E-01 0.689E-01 RMM: 3 -0.337072008257E+03 0.35811E-02 -0.85836E-03 5848 0.186E-01 0.276E-01 RMM: 4 -0.337072711268E+03 -0.70301E-03 -0.17386E-03 4894 0.105E-01 0.463E-01 RMM: 5 -0.337071386785E+03 0.13245E-02 -0.91126E-04 4605 0.815E-02 0.147E-01 RMM: 6 -0.337071288931E+03 0.97855E-04 -0.21247E-04 3902 0.378E-02 0.933E-02 RMM: 7 -0.337071292088E+03 -0.31571E-05 -0.77214E-05 3586 0.262E-02 3658 T= 6207. E= 0.68859165E+03 F= 0.63724116E+03 E0= 0.66671212E+03 EK= 0.51350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336851409615E+03 0.21988E+00 -0.19064E-01 8748 0.231E+01 0.421E-01 RMM: 2 -0.336860484289E+03 -0.90747E-02 -0.99623E-02 5365 0.686E-01 0.711E-01 RMM: 3 -0.336856968114E+03 0.35162E-02 -0.88637E-03 5635 0.202E-01 0.350E-01 RMM: 4 -0.336858333251E+03 -0.13651E-02 -0.20305E-03 4932 0.111E-01 0.604E-01 RMM: 5 -0.336855937023E+03 0.23962E-02 -0.12121E-03 4606 0.932E-02 0.123E-01 RMM: 6 -0.336856010971E+03 -0.73948E-04 -0.32416E-04 3920 0.457E-02 0.173E-01 RMM: 7 -0.336855850586E+03 0.16039E-03 -0.14277E-04 3876 0.367E-02 0.908E-02 RMM: 8 -0.336855801074E+03 0.49512E-04 -0.38327E-05 3097 0.183E-02 0.404E-02 RMM: 9 -0.336855814933E+03 -0.13860E-04 -0.22454E-05 2568 0.136E-02 3659 T= 6212. E= 0.68843722E+03 F= 0.63704729E+03 E0= 0.66649066E+03 EK= 0.51390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336817485826E+03 0.38315E-01 -0.19568E-01 8676 0.232E+01 0.324E-01 RMM: 2 -0.336828902318E+03 -0.11416E-01 -0.10135E-01 5295 0.688E-01 0.786E-01 RMM: 3 -0.336824054489E+03 0.48478E-02 -0.83086E-03 5885 0.183E-01 0.229E-01 RMM: 4 -0.336824774096E+03 -0.71961E-03 -0.16651E-03 4814 0.103E-01 0.440E-01 RMM: 5 -0.336823597052E+03 0.11770E-02 -0.87869E-04 4605 0.812E-02 0.149E-01 RMM: 6 -0.336823508555E+03 0.88497E-04 -0.24476E-04 3903 0.406E-02 0.103E-01 RMM: 7 -0.336823473838E+03 0.34717E-04 -0.90501E-05 3774 0.299E-02 0.847E-02 RMM: 8 -0.336823428458E+03 0.45380E-04 -0.22102E-05 2773 0.148E-02 0.268E-02 RMM: 9 -0.336823429093E+03 -0.63498E-06 -0.81792E-06 2465 0.812E-03 3660 T= 6318. E= 0.68894203E+03 F= 0.63667186E+03 E0= 0.66608842E+03 EK= 0.52270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336919024534E+03 -0.95596E-01 -0.19879E-01 8904 0.236E+01 0.365E-01 RMM: 2 -0.336929267736E+03 -0.10243E-01 -0.98096E-02 5429 0.679E-01 0.757E-01 RMM: 3 -0.336924926171E+03 0.43416E-02 -0.76004E-03 5756 0.182E-01 0.285E-01 RMM: 4 -0.336925764918E+03 -0.83875E-03 -0.19468E-03 4835 0.112E-01 0.488E-01 RMM: 5 -0.336924306545E+03 0.14584E-02 -0.11504E-03 4608 0.927E-02 0.177E-01 RMM: 6 -0.336924183512E+03 0.12303E-03 -0.32355E-04 3927 0.467E-02 0.124E-01 RMM: 7 -0.336924131465E+03 0.52047E-04 -0.15260E-04 3874 0.391E-02 0.102E-01 RMM: 8 -0.336924068557E+03 0.62908E-04 -0.35365E-05 3050 0.185E-02 0.398E-02 RMM: 9 -0.336924070387E+03 -0.18297E-05 -0.16697E-05 2523 0.119E-02 3661 T= 6487. E= 0.68983181E+03 F= 0.63616694E+03 E0= 0.66555787E+03 EK= 0.53665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337081824744E+03 -0.15776E+00 -0.20343E-01 8940 0.240E+01 0.339E-01 RMM: 2 -0.337094344495E+03 -0.12520E-01 -0.10352E-01 5394 0.706E-01 0.892E-01 RMM: 3 -0.337088421011E+03 0.59235E-02 -0.84076E-03 5822 0.188E-01 0.237E-01 RMM: 4 -0.337089031317E+03 -0.61031E-03 -0.16464E-03 4740 0.102E-01 0.427E-01 RMM: 5 -0.337087944118E+03 0.10872E-02 -0.10548E-03 4603 0.903E-02 0.167E-01 RMM: 6 -0.337087868949E+03 0.75169E-04 -0.32259E-04 3913 0.465E-02 0.137E-01 RMM: 7 -0.337087797226E+03 0.71723E-04 -0.15844E-04 3881 0.400E-02 0.103E-01 RMM: 8 -0.337087732261E+03 0.64965E-04 -0.35072E-05 3058 0.183E-02 0.367E-02 RMM: 9 -0.337087734682E+03 -0.24209E-05 -0.15107E-05 2510 0.113E-02 3662 T= 6653. E= 0.69063968E+03 F= 0.63560305E+03 E0= 0.66497002E+03 EK= 0.55037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337241062125E+03 -0.15333E+00 -0.20291E-01 8688 0.244E+01 0.341E-01 RMM: 2 -0.337253081488E+03 -0.12019E-01 -0.11202E-01 5313 0.741E-01 0.773E-01 RMM: 3 -0.337248597907E+03 0.44836E-02 -0.94799E-03 5878 0.194E-01 0.253E-01 RMM: 4 -0.337249184059E+03 -0.58615E-03 -0.17743E-03 4859 0.107E-01 0.437E-01 RMM: 5 -0.337248022276E+03 0.11618E-02 -0.10813E-03 4605 0.908E-02 0.169E-01 RMM: 6 -0.337247955389E+03 0.66887E-04 -0.34065E-04 3931 0.477E-02 0.144E-01 RMM: 7 -0.337247856919E+03 0.98470E-04 -0.16078E-04 3871 0.407E-02 0.932E-02 RMM: 8 -0.337247805308E+03 0.51611E-04 -0.29668E-05 2937 0.169E-02 0.390E-02 RMM: 9 -0.337247808568E+03 -0.32603E-05 -0.17435E-05 2523 0.121E-02 3663 T= 6748. E= 0.69086705E+03 F= 0.63504553E+03 E0= 0.66439135E+03 EK= 0.55822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337359370542E+03 -0.11157E+00 -0.20441E-01 8448 0.245E+01 0.346E-01 RMM: 2 -0.337371786857E+03 -0.12416E-01 -0.11271E-01 5298 0.747E-01 0.812E-01 RMM: 3 -0.337366941514E+03 0.48453E-02 -0.95178E-03 5837 0.197E-01 0.246E-01 RMM: 4 -0.337367693146E+03 -0.75163E-03 -0.18467E-03 4921 0.110E-01 0.457E-01 RMM: 5 -0.337366389657E+03 0.13035E-02 -0.10148E-03 4601 0.868E-02 0.154E-01 RMM: 6 -0.337366358674E+03 0.30982E-04 -0.30180E-04 3897 0.450E-02 0.148E-01 RMM: 7 -0.337366292695E+03 0.65980E-04 -0.14960E-04 3882 0.378E-02 0.119E-01 RMM: 8 -0.337366203535E+03 0.89160E-04 -0.47575E-05 3256 0.207E-02 0.367E-02 RMM: 9 -0.337366205312E+03 -0.17771E-05 -0.16988E-05 2521 0.121E-02 3664 T= 6731. E= 0.69021454E+03 F= 0.63452981E+03 E0= 0.66385891E+03 EK= 0.55685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337440968664E+03 -0.74765E-01 -0.19431E-01 8424 0.245E+01 0.371E-01 RMM: 2 -0.337453472235E+03 -0.12504E-01 -0.10636E-01 5317 0.726E-01 0.901E-01 RMM: 3 -0.337447673644E+03 0.57986E-02 -0.88461E-03 5669 0.195E-01 0.249E-01 RMM: 4 -0.337448689912E+03 -0.10163E-02 -0.21771E-03 5088 0.120E-01 0.493E-01 RMM: 5 -0.337447110117E+03 0.15798E-02 -0.10487E-03 4607 0.878E-02 0.142E-01 RMM: 6 -0.337447104619E+03 0.54974E-05 -0.29491E-04 3925 0.442E-02 0.148E-01 RMM: 7 -0.337447044076E+03 0.60543E-04 -0.12848E-04 3845 0.346E-02 0.121E-01 RMM: 8 -0.337446948554E+03 0.95522E-04 -0.49552E-05 3282 0.209E-02 0.365E-02 RMM: 9 -0.337446951062E+03 -0.25080E-05 -0.17061E-05 2523 0.120E-02 3665 T= 6612. E= 0.68874416E+03 F= 0.63404882E+03 E0= 0.66336690E+03 EK= 0.54695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337521084401E+03 -0.74136E-01 -0.18746E-01 7908 0.242E+01 0.380E-01 RMM: 2 -0.337534539508E+03 -0.13455E-01 -0.10608E-01 5243 0.729E-01 0.982E-01 RMM: 3 -0.337527707402E+03 0.68321E-02 -0.96158E-03 5518 0.206E-01 0.263E-01 RMM: 4 -0.337528913078E+03 -0.12057E-02 -0.23841E-03 5188 0.125E-01 0.522E-01 RMM: 5 -0.337527192351E+03 0.17207E-02 -0.10349E-03 4606 0.860E-02 0.164E-01 RMM: 6 -0.337527092590E+03 0.99761E-04 -0.26925E-04 3903 0.422E-02 0.121E-01 RMM: 7 -0.337527086949E+03 0.56409E-05 -0.13489E-04 3872 0.343E-02 3666 T= 6440. E= 0.68684225E+03 F= 0.63356309E+03 E0= 0.66287561E+03 EK= 0.53279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337645755922E+03 -0.11866E+00 -0.18018E-01 7812 0.239E+01 0.447E-01 RMM: 2 -0.337659947553E+03 -0.14192E-01 -0.94474E-02 5250 0.713E-01 0.118E+00 RMM: 3 -0.337650656559E+03 0.92910E-02 -0.94883E-03 5415 0.218E-01 0.314E-01 RMM: 4 -0.337652113031E+03 -0.14565E-02 -0.31320E-03 5220 0.139E-01 0.589E-01 RMM: 5 -0.337649914966E+03 0.21981E-02 -0.15173E-03 4620 0.107E-01 0.175E-01 RMM: 6 -0.337649845401E+03 0.69565E-04 -0.31294E-04 3906 0.452E-02 0.152E-01 RMM: 7 -0.337649781996E+03 0.63405E-04 -0.17364E-04 3876 0.401E-02 0.128E-01 RMM: 8 -0.337649675970E+03 0.10603E-03 -0.70935E-05 3497 0.249E-02 0.415E-02 RMM: 9 -0.337649691780E+03 -0.15810E-04 -0.23235E-05 2628 0.138E-02 3667 T= 6284. E= 0.68501557E+03 F= 0.63302868E+03 E0= 0.66234056E+03 EK= 0.51987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337831370855E+03 -0.18169E+00 -0.17647E-01 7764 0.237E+01 0.353E-01 RMM: 2 -0.337843608787E+03 -0.12238E-01 -0.94207E-02 5125 0.715E-01 0.959E-01 RMM: 3 -0.337837394311E+03 0.62145E-02 -0.97469E-03 5544 0.206E-01 0.238E-01 RMM: 4 -0.337838318363E+03 -0.92405E-03 -0.19225E-03 4958 0.110E-01 0.464E-01 RMM: 5 -0.337836964804E+03 0.13536E-02 -0.89765E-04 4607 0.818E-02 0.157E-01 RMM: 6 -0.337836849930E+03 0.11487E-03 -0.23382E-04 3886 0.396E-02 0.953E-02 RMM: 7 -0.337836864792E+03 -0.14862E-04 -0.91480E-05 3762 0.287E-02 3668 T= 6196. E= 0.68368235E+03 F= 0.63242435E+03 E0= 0.66173902E+03 EK= 0.51258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338081482781E+03 -0.24463E+00 -0.17231E-01 8028 0.237E+01 0.431E-01 RMM: 2 -0.338091303609E+03 -0.98208E-02 -0.82101E-02 5272 0.680E-01 0.947E-01 RMM: 3 -0.338085639116E+03 0.56645E-02 -0.80434E-03 5471 0.195E-01 0.321E-01 RMM: 4 -0.338086996428E+03 -0.13573E-02 -0.28459E-03 5179 0.136E-01 0.581E-01 RMM: 5 -0.338084777304E+03 0.22191E-02 -0.15324E-03 4619 0.107E-01 0.152E-01 RMM: 6 -0.338084840453E+03 -0.63149E-04 -0.37840E-04 4048 0.503E-02 0.190E-01 RMM: 7 -0.338084688648E+03 0.15180E-03 -0.18132E-04 3874 0.415E-02 0.129E-01 RMM: 8 -0.338084581476E+03 0.10717E-03 -0.67144E-05 3459 0.239E-02 0.427E-02 RMM: 9 -0.338084595545E+03 -0.14069E-04 -0.29630E-05 2869 0.157E-02 3669 T= 6201. E= 0.68305607E+03 F= 0.63175644E+03 E0= 0.66107510E+03 EK= 0.51300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338361009003E+03 -0.27643E+00 -0.18531E-01 8196 0.238E+01 0.353E-01 RMM: 2 -0.338376583958E+03 -0.15575E-01 -0.10754E-01 5000 0.786E-01 0.111E+00 RMM: 3 -0.338368339844E+03 0.82441E-02 -0.11954E-02 5591 0.228E-01 0.245E-01 RMM: 4 -0.338368738952E+03 -0.39911E-03 -0.19007E-03 5014 0.108E-01 0.389E-01 RMM: 5 -0.338367888802E+03 0.85015E-03 -0.97378E-04 4608 0.864E-02 0.190E-01 RMM: 6 -0.338367707974E+03 0.18083E-03 -0.31044E-04 3940 0.459E-02 0.105E-01 RMM: 7 -0.338367729650E+03 -0.21676E-04 -0.12030E-04 3867 0.333E-02 0.126E-01 RMM: 8 -0.338367623787E+03 0.10586E-03 -0.41659E-05 3182 0.198E-02 0.294E-02 RMM: 9 -0.338367624568E+03 -0.78153E-06 -0.11887E-05 2492 0.100E-02 3670 T= 6293. E= 0.68311560E+03 F= 0.63105300E+03 E0= 0.66037319E+03 EK= 0.52063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338642579970E+03 -0.27496E+00 -0.18379E-01 8460 0.241E+01 0.379E-01 RMM: 2 -0.338652930926E+03 -0.10351E-01 -0.88094E-02 5216 0.693E-01 0.880E-01 RMM: 3 -0.338647847061E+03 0.50839E-02 -0.85221E-03 5588 0.191E-01 0.267E-01 RMM: 4 -0.338648780923E+03 -0.93386E-03 -0.23221E-03 5080 0.126E-01 0.499E-01 RMM: 5 -0.338647219018E+03 0.15619E-02 -0.11806E-03 4608 0.938E-02 0.166E-01 RMM: 6 -0.338647221799E+03 -0.27813E-05 -0.33958E-04 3977 0.474E-02 0.176E-01 RMM: 7 -0.338647088595E+03 0.13320E-03 -0.17394E-04 3876 0.413E-02 0.117E-01 RMM: 8 -0.338647000093E+03 0.88502E-04 -0.51163E-05 3290 0.213E-02 0.385E-02 RMM: 9 -0.338647008955E+03 -0.88615E-05 -0.23222E-05 2593 0.142E-02 3671 T= 6439. E= 0.68362082E+03 F= 0.63035525E+03 E0= 0.65967336E+03 EK= 0.53266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338871929424E+03 -0.22493E+00 -0.18959E-01 8208 0.243E+01 0.346E-01 RMM: 2 -0.338883437247E+03 -0.11508E-01 -0.88685E-02 5237 0.696E-01 0.946E-01 RMM: 3 -0.338877511129E+03 0.59261E-02 -0.87150E-03 5660 0.194E-01 0.250E-01 RMM: 4 -0.338877986385E+03 -0.47526E-03 -0.18625E-03 4881 0.111E-01 0.409E-01 RMM: 5 -0.338876987757E+03 0.99863E-03 -0.10662E-03 4608 0.903E-02 0.174E-01 RMM: 6 -0.338876922992E+03 0.64765E-04 -0.33294E-04 3945 0.473E-02 0.150E-01 RMM: 7 -0.338876867998E+03 0.54994E-04 -0.15693E-04 3881 0.387E-02 0.129E-01 RMM: 8 -0.338876757571E+03 0.11043E-03 -0.52256E-05 3316 0.217E-02 0.337E-02 RMM: 9 -0.338876762659E+03 -0.50872E-05 -0.20613E-05 2551 0.134E-02 3672 T= 6584. E= 0.68417377E+03 F= 0.62971012E+03 E0= 0.65901886E+03 EK= 0.54464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339006936233E+03 -0.13018E+00 -0.19350E-01 8088 0.245E+01 0.344E-01 RMM: 2 -0.339016057553E+03 -0.91213E-02 -0.89797E-02 5201 0.683E-01 0.698E-01 RMM: 3 -0.339012662002E+03 0.33956E-02 -0.80744E-03 5664 0.183E-01 0.262E-01 RMM: 4 -0.339013344723E+03 -0.68272E-03 -0.19969E-03 4929 0.118E-01 0.459E-01 RMM: 5 -0.339012029789E+03 0.13149E-02 -0.99712E-04 4601 0.857E-02 0.146E-01 RMM: 6 -0.339012076347E+03 -0.46559E-04 -0.30223E-04 3915 0.447E-02 0.175E-01 RMM: 7 -0.339011930059E+03 0.14629E-03 -0.15199E-04 3876 0.387E-02 0.106E-01 RMM: 8 -0.339011856333E+03 0.73726E-04 -0.45457E-05 3215 0.201E-02 0.345E-02 RMM: 9 -0.339011862578E+03 -0.62454E-05 -0.21574E-05 2558 0.137E-02 3673 T= 6671. E= 0.68434934E+03 F= 0.62916197E+03 E0= 0.65845264E+03 EK= 0.55187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339008366782E+03 0.34896E-02 -0.19446E-01 8028 0.246E+01 0.351E-01 RMM: 2 -0.339019088434E+03 -0.10722E-01 -0.10162E-01 5000 0.740E-01 0.762E-01 RMM: 3 -0.339015126771E+03 0.39617E-02 -0.10370E-02 5718 0.206E-01 0.270E-01 RMM: 4 -0.339015850292E+03 -0.72352E-03 -0.20415E-03 5117 0.117E-01 0.466E-01 RMM: 5 -0.339014458143E+03 0.13921E-02 -0.10289E-03 4606 0.868E-02 0.149E-01 RMM: 6 -0.339014447494E+03 0.10649E-04 -0.30995E-04 3926 0.456E-02 0.152E-01 RMM: 7 -0.339014377218E+03 0.70276E-04 -0.13643E-04 3876 0.359E-02 0.123E-01 RMM: 8 -0.339014278995E+03 0.98223E-04 -0.44485E-05 3206 0.200E-02 0.323E-02 RMM: 9 -0.339014286075E+03 -0.70800E-05 -0.18197E-05 2541 0.123E-02 3674 T= 6664. E= 0.68388012E+03 F= 0.62874686E+03 E0= 0.65800985E+03 EK= 0.55133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338858648619E+03 0.15563E+00 -0.18784E-01 7872 0.245E+01 0.370E-01 RMM: 2 -0.338868539841E+03 -0.98912E-02 -0.94626E-02 5085 0.701E-01 0.764E-01 RMM: 3 -0.338864463372E+03 0.40765E-02 -0.91286E-03 5596 0.201E-01 0.283E-01 RMM: 4 -0.338865383657E+03 -0.92029E-03 -0.21871E-03 5133 0.120E-01 0.496E-01 RMM: 5 -0.338863805392E+03 0.15783E-02 -0.99961E-04 4615 0.850E-02 0.150E-01 RMM: 6 -0.338863769641E+03 0.35751E-04 -0.28207E-04 3944 0.435E-02 0.140E-01 RMM: 7 -0.338863727563E+03 0.42077E-04 -0.11745E-04 3852 0.331E-02 0.126E-01 RMM: 8 -0.338863622269E+03 0.10529E-03 -0.47835E-05 3272 0.205E-02 0.318E-02 RMM: 9 -0.338863631005E+03 -0.87362E-05 -0.18735E-05 2548 0.124E-02 3675 T= 6565. E= 0.68279305E+03 F= 0.62848281E+03 E0= 0.65770984E+03 EK= 0.54310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338555011936E+03 0.30861E+00 -0.18847E-01 7704 0.243E+01 0.389E-01 RMM: 2 -0.338567556795E+03 -0.12545E-01 -0.10268E-01 4971 0.744E-01 0.943E-01 RMM: 3 -0.338561343232E+03 0.62136E-02 -0.10670E-02 5545 0.220E-01 0.285E-01 RMM: 4 -0.338562477849E+03 -0.11346E-02 -0.25022E-03 5261 0.127E-01 0.523E-01 RMM: 5 -0.338560730684E+03 0.17472E-02 -0.10825E-03 4609 0.888E-02 0.168E-01 RMM: 6 -0.338560618858E+03 0.11183E-03 -0.26667E-04 3919 0.421E-02 0.119E-01 RMM: 7 -0.338560624669E+03 -0.58116E-05 -0.11971E-04 3872 0.321E-02 3676 T= 6411. E= 0.68140231E+03 F= 0.62836727E+03 E0= 0.65755196E+03 EK= 0.53035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338121857874E+03 0.43876E+00 -0.18074E-01 7740 0.240E+01 0.439E-01 RMM: 2 -0.338130745348E+03 -0.88875E-02 -0.92098E-02 5107 0.710E-01 0.788E-01 RMM: 3 -0.338127040862E+03 0.37045E-02 -0.96932E-03 5499 0.212E-01 0.367E-01 RMM: 4 -0.338128413661E+03 -0.13728E-02 -0.25869E-03 5196 0.128E-01 0.613E-01 RMM: 5 -0.338125932632E+03 0.24810E-02 -0.13620E-03 4616 0.993E-02 0.126E-01 RMM: 6 -0.338126036623E+03 -0.10399E-03 -0.30718E-04 3933 0.447E-02 0.185E-01 RMM: 7 -0.338125869817E+03 0.16681E-03 -0.13142E-04 3876 0.349E-02 0.115E-01 RMM: 8 -0.338125784775E+03 0.85042E-04 -0.59032E-05 3390 0.219E-02 0.395E-02 RMM: 9 -0.338125803415E+03 -0.18639E-04 -0.27363E-05 2728 0.151E-02 3677 T= 6259. E= 0.68015916E+03 F= 0.62837927E+03 E0= 0.65751682E+03 EK= 0.51780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337584114161E+03 0.54167E+00 -0.18253E-01 7812 0.237E+01 0.387E-01 RMM: 2 -0.337599609417E+03 -0.15495E-01 -0.11323E-01 4900 0.811E-01 0.109E+00 RMM: 3 -0.337591435630E+03 0.81738E-02 -0.12782E-02 5502 0.244E-01 0.273E-01 RMM: 4 -0.337592334905E+03 -0.89928E-03 -0.23192E-03 5221 0.118E-01 0.474E-01 RMM: 5 -0.337591003443E+03 0.13315E-02 -0.89968E-04 4604 0.803E-02 0.206E-01 RMM: 6 -0.337590737405E+03 0.26604E-03 -0.27376E-04 3919 0.433E-02 0.708E-02 RMM: 7 -0.337590801077E+03 -0.63672E-04 -0.82415E-05 3628 0.259E-02 0.125E-01 RMM: 8 -0.337590694669E+03 0.10641E-03 -0.36951E-05 3091 0.192E-02 0.245E-02 RMM: 9 -0.337590695806E+03 -0.11371E-05 -0.99456E-06 2487 0.876E-03 3678 T= 6163. E= 0.67946980E+03 F= 0.62848861E+03 E0= 0.65757850E+03 EK= 0.50981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336985248708E+03 0.60545E+00 -0.17109E-01 7728 0.235E+01 0.422E-01 RMM: 2 -0.336995083433E+03 -0.98347E-02 -0.91121E-02 5114 0.714E-01 0.874E-01 RMM: 3 -0.336990450315E+03 0.46331E-02 -0.95438E-03 5488 0.209E-01 0.329E-01 RMM: 4 -0.336991747378E+03 -0.12971E-02 -0.26200E-03 5193 0.128E-01 0.576E-01 RMM: 5 -0.336989567650E+03 0.21797E-02 -0.12863E-03 4608 0.972E-02 0.135E-01 RMM: 6 -0.336989565531E+03 0.21194E-05 -0.24862E-04 3891 0.402E-02 0.143E-01 RMM: 7 -0.336989480879E+03 0.84652E-04 -0.10355E-04 3851 0.308E-02 0.106E-01 RMM: 8 -0.336989408326E+03 0.72552E-04 -0.42900E-05 3209 0.191E-02 0.362E-02 RMM: 9 -0.336989416419E+03 -0.80929E-05 -0.21450E-05 2579 0.133E-02 3679 T= 6154. E= 0.67957508E+03 F= 0.62866394E+03 E0= 0.65770854E+03 EK= 0.50911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336351283809E+03 0.63812E+00 -0.16898E-01 7884 0.235E+01 0.407E-01 RMM: 2 -0.336365349676E+03 -0.14066E-01 -0.93192E-02 5147 0.740E-01 0.114E+00 RMM: 3 -0.336356630305E+03 0.87194E-02 -0.10234E-02 5448 0.223E-01 0.278E-01 RMM: 4 -0.336357740675E+03 -0.11104E-02 -0.25328E-03 5226 0.126E-01 0.506E-01 RMM: 5 -0.336356136888E+03 0.16038E-02 -0.10281E-03 4611 0.866E-02 0.191E-01 RMM: 6 -0.336355940965E+03 0.19592E-03 -0.27608E-04 3904 0.429E-02 0.101E-01 RMM: 7 -0.336355993217E+03 -0.52253E-04 -0.12337E-04 3870 0.316E-02 0.142E-01 RMM: 8 -0.336355857854E+03 0.13536E-03 -0.59719E-05 3407 0.230E-02 0.313E-02 RMM: 9 -0.336355862697E+03 -0.48437E-05 -0.16143E-05 2537 0.114E-02 3680 T= 6240. E= 0.68049735E+03 F= 0.62887474E+03 E0= 0.65787799E+03 EK= 0.51623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335717576992E+03 0.63828E+00 -0.16934E-01 7812 0.237E+01 0.396E-01 RMM: 2 -0.335731131948E+03 -0.13555E-01 -0.94673E-02 5125 0.737E-01 0.110E+00 RMM: 3 -0.335723271767E+03 0.78602E-02 -0.10022E-02 5480 0.216E-01 0.271E-01 RMM: 4 -0.335724329195E+03 -0.10574E-02 -0.25430E-03 5255 0.127E-01 0.503E-01 RMM: 5 -0.335722743945E+03 0.15853E-02 -0.10973E-03 4608 0.904E-02 0.178E-01 RMM: 6 -0.335722597986E+03 0.14596E-03 -0.26305E-04 3902 0.419E-02 0.111E-01 RMM: 7 -0.335722604527E+03 -0.65407E-05 -0.11637E-04 3855 0.320E-02 3681 T= 6399. E= 0.68202836E+03 F= 0.62909135E+03 E0= 0.65805880E+03 EK= 0.52937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335117193144E+03 0.60540E+00 -0.17497E-01 7632 0.239E+01 0.412E-01 RMM: 2 -0.335127966140E+03 -0.10773E-01 -0.98569E-02 5146 0.757E-01 0.854E-01 RMM: 3 -0.335123376686E+03 0.45895E-02 -0.10327E-02 5565 0.212E-01 0.319E-01 RMM: 4 -0.335124475411E+03 -0.10987E-02 -0.25319E-03 5182 0.128E-01 0.546E-01 RMM: 5 -0.335122492285E+03 0.19831E-02 -0.12959E-03 4619 0.974E-02 0.137E-01 RMM: 6 -0.335122560318E+03 -0.68033E-04 -0.30820E-04 3899 0.451E-02 0.179E-01 RMM: 7 -0.335122405587E+03 0.15473E-03 -0.15628E-04 3879 0.383E-02 0.113E-01 RMM: 8 -0.335122324095E+03 0.81492E-04 -0.54799E-05 3350 0.215E-02 0.389E-02 RMM: 9 -0.335122338884E+03 -0.14789E-04 -0.26981E-05 2652 0.151E-02 3682 T= 6584. E= 0.68375014E+03 F= 0.62928253E+03 E0= 0.65822060E+03 EK= 0.54468E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334583280854E+03 0.53904E+00 -0.18437E-01 7668 0.240E+01 0.359E-01 RMM: 2 -0.334599620793E+03 -0.16340E-01 -0.11018E-01 5094 0.814E-01 0.115E+00 RMM: 3 -0.334590798361E+03 0.88224E-02 -0.12254E-02 5540 0.236E-01 0.260E-01 RMM: 4 -0.334591121500E+03 -0.32314E-03 -0.19098E-03 4986 0.106E-01 0.376E-01 RMM: 5 -0.334590370006E+03 0.75149E-03 -0.85893E-04 4608 0.807E-02 0.204E-01 RMM: 6 -0.334590130475E+03 0.23953E-03 -0.29955E-04 3916 0.452E-02 0.847E-02 RMM: 7 -0.334590163903E+03 -0.33428E-04 -0.93714E-05 3745 0.295E-02 0.115E-01 RMM: 8 -0.334590076077E+03 0.87826E-04 -0.30338E-05 2993 0.172E-02 0.273E-02 RMM: 9 -0.334590074041E+03 0.20361E-05 -0.86773E-06 2469 0.830E-03 3683 T= 6734. E= 0.68512413E+03 F= 0.62941279E+03 E0= 0.65832551E+03 EK= 0.55711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334153566650E+03 0.43651E+00 -0.19327E-01 7572 0.241E+01 0.384E-01 RMM: 2 -0.334164280472E+03 -0.10714E-01 -0.11286E-01 5140 0.799E-01 0.687E-01 RMM: 3 -0.334161343146E+03 0.29373E-02 -0.11694E-02 5674 0.213E-01 0.305E-01 RMM: 4 -0.334162194978E+03 -0.85183E-03 -0.20842E-03 5035 0.117E-01 0.515E-01 RMM: 5 -0.334160452457E+03 0.17425E-02 -0.10982E-03 4619 0.892E-02 0.132E-01 RMM: 6 -0.334160488347E+03 -0.35889E-04 -0.28182E-04 3905 0.433E-02 0.159E-01 RMM: 7 -0.334160379148E+03 0.10920E-03 -0.12995E-04 3870 0.347E-02 0.107E-01 RMM: 8 -0.334160303590E+03 0.75558E-04 -0.42560E-05 3162 0.195E-02 0.359E-02 RMM: 9 -0.334160309694E+03 -0.61040E-05 -0.21765E-05 2566 0.135E-02 3684 T= 6797. E= 0.68567267E+03 F= 0.62944539E+03 E0= 0.65833575E+03 EK= 0.56227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333853701992E+03 0.30660E+00 -0.18752E-01 7764 0.241E+01 0.359E-01 RMM: 2 -0.333865082016E+03 -0.11380E-01 -0.95922E-02 5208 0.759E-01 0.888E-01 RMM: 3 -0.333859962438E+03 0.51196E-02 -0.96588E-03 5641 0.204E-01 0.255E-01 RMM: 4 -0.333860695781E+03 -0.73334E-03 -0.19191E-03 4964 0.112E-01 0.453E-01 RMM: 5 -0.333859383916E+03 0.13119E-02 -0.97846E-04 4608 0.858E-02 0.144E-01 RMM: 6 -0.333859366431E+03 0.17485E-04 -0.26258E-04 3892 0.420E-02 0.142E-01 RMM: 7 -0.333859318272E+03 0.48158E-04 -0.12252E-04 3849 0.336E-02 0.122E-01 RMM: 8 -0.333859219722E+03 0.98551E-04 -0.47623E-05 3253 0.206E-02 0.329E-02 RMM: 9 -0.333859221532E+03 -0.18101E-05 -0.15719E-05 2515 0.115E-02 3685 T= 6749. E= 0.68518712E+03 F= 0.62935084E+03 E0= 0.65821979E+03 EK= 0.55836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333689785111E+03 0.16943E+00 -0.18519E-01 7800 0.239E+01 0.368E-01 RMM: 2 -0.333699046442E+03 -0.92613E-02 -0.10103E-01 5124 0.758E-01 0.629E-01 RMM: 3 -0.333696534515E+03 0.25119E-02 -0.10164E-02 5587 0.211E-01 0.307E-01 RMM: 4 -0.333697262841E+03 -0.72833E-03 -0.18999E-03 5056 0.112E-01 0.483E-01 RMM: 5 -0.333695741794E+03 0.15210E-02 -0.87381E-04 4607 0.793E-02 0.128E-01 RMM: 6 -0.333695737265E+03 0.45290E-05 -0.24216E-04 3900 0.400E-02 0.135E-01 RMM: 7 -0.333695664748E+03 0.72517E-04 -0.11001E-04 3849 0.323E-02 0.993E-02 RMM: 8 -0.333695601089E+03 0.63659E-04 -0.30710E-05 2973 0.171E-02 0.325E-02 RMM: 9 -0.333695605552E+03 -0.44623E-05 -0.17444E-05 2521 0.118E-02 3686 T= 6613. E= 0.68382696E+03 F= 0.62911699E+03 E0= 0.65796530E+03 EK= 0.54710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333653729540E+03 0.41872E-01 -0.17791E-01 8004 0.237E+01 0.368E-01 RMM: 2 -0.333663390647E+03 -0.96611E-02 -0.95591E-02 5095 0.742E-01 0.735E-01 RMM: 3 -0.333659868159E+03 0.35225E-02 -0.96781E-03 5615 0.207E-01 0.270E-01 RMM: 4 -0.333660803253E+03 -0.93509E-03 -0.19538E-03 5035 0.113E-01 0.491E-01 RMM: 5 -0.333659179163E+03 0.16241E-02 -0.10276E-03 4604 0.872E-02 0.109E-01 RMM: 6 -0.333659242405E+03 -0.63242E-04 -0.24759E-04 3908 0.407E-02 0.153E-01 RMM: 7 -0.333659139490E+03 0.10291E-03 -0.10475E-04 3815 0.316E-02 0.101E-01 RMM: 8 -0.333659072113E+03 0.67377E-04 -0.33155E-05 3025 0.174E-02 0.310E-02 RMM: 9 -0.333659076349E+03 -0.42358E-05 -0.16487E-05 2510 0.116E-02 3687 T= 6440. E= 0.68202984E+03 F= 0.62875180E+03 E0= 0.65758096E+03 EK= 0.53278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333719617808E+03 -0.60546E-01 -0.17668E-01 7764 0.235E+01 0.381E-01 RMM: 2 -0.333730798279E+03 -0.11180E-01 -0.10524E-01 5025 0.779E-01 0.798E-01 RMM: 3 -0.333726629786E+03 0.41685E-02 -0.11379E-02 5627 0.218E-01 0.280E-01 RMM: 4 -0.333727582507E+03 -0.95272E-03 -0.22038E-03 5155 0.120E-01 0.502E-01 RMM: 5 -0.333725890489E+03 0.16920E-02 -0.10791E-03 4608 0.893E-02 0.126E-01 RMM: 6 -0.333725904623E+03 -0.14133E-04 -0.25704E-04 3910 0.415E-02 0.142E-01 RMM: 7 -0.333725840947E+03 0.63676E-04 -0.10947E-04 3828 0.317E-02 0.114E-01 RMM: 8 -0.333725754681E+03 0.86265E-04 -0.40151E-05 3139 0.191E-02 0.316E-02 RMM: 9 -0.333725761008E+03 -0.63268E-05 -0.17769E-05 2528 0.120E-02 3688 T= 6289. E= 0.68030762E+03 F= 0.62827830E+03 E0= 0.65709135E+03 EK= 0.52029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333855588890E+03 -0.12983E+00 -0.17066E-01 7764 0.234E+01 0.383E-01 RMM: 2 -0.333867160521E+03 -0.11572E-01 -0.99206E-02 5068 0.753E-01 0.880E-01 RMM: 3 -0.333861851409E+03 0.53091E-02 -0.10102E-02 5497 0.213E-01 0.254E-01 RMM: 4 -0.333862883105E+03 -0.10317E-02 -0.22712E-03 5141 0.122E-01 0.497E-01 RMM: 5 -0.333861291194E+03 0.15919E-02 -0.10712E-03 4608 0.895E-02 0.146E-01 RMM: 6 -0.333861255176E+03 0.36018E-04 -0.25526E-04 3909 0.411E-02 0.135E-01 RMM: 7 -0.333861210630E+03 0.44546E-04 -0.11724E-04 3832 0.331E-02 0.118E-01 RMM: 8 -0.333861117487E+03 0.93143E-04 -0.44643E-05 3223 0.201E-02 0.319E-02 RMM: 9 -0.333861122932E+03 -0.54445E-05 -0.17303E-05 2532 0.118E-02 3689 T= 6205. E= 0.67906628E+03 F= 0.62773195E+03 E0= 0.65653438E+03 EK= 0.51334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334021591458E+03 -0.16047E+00 -0.16537E-01 7548 0.235E+01 0.384E-01 RMM: 2 -0.334034393186E+03 -0.12802E-01 -0.97178E-02 5113 0.746E-01 0.989E-01 RMM: 3 -0.334027686437E+03 0.67067E-02 -0.10205E-02 5552 0.214E-01 0.253E-01 RMM: 4 -0.334028608039E+03 -0.92160E-03 -0.23648E-03 5180 0.124E-01 0.481E-01 RMM: 5 -0.334027113974E+03 0.14941E-02 -0.11207E-03 4613 0.917E-02 0.147E-01 RMM: 6 -0.334027094965E+03 0.19009E-04 -0.27502E-04 3908 0.430E-02 0.144E-01 RMM: 7 -0.334027030162E+03 0.64803E-04 -0.12259E-04 3853 0.336E-02 0.115E-01 RMM: 8 -0.334026941444E+03 0.88719E-04 -0.43500E-05 3203 0.199E-02 0.334E-02 RMM: 9 -0.334026946021E+03 -0.45776E-05 -0.17150E-05 2523 0.119E-02 3690 T= 6208. E= 0.67851157E+03 F= 0.62715320E+03 E0= 0.65595144E+03 EK= 0.51358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334179831366E+03 -0.15289E+00 -0.16792E-01 7440 0.236E+01 0.378E-01 RMM: 2 -0.334193350733E+03 -0.13519E-01 -0.10454E-01 5109 0.770E-01 0.986E-01 RMM: 3 -0.334186645155E+03 0.67056E-02 -0.10886E-02 5597 0.215E-01 0.238E-01 RMM: 4 -0.334187475066E+03 -0.82991E-03 -0.22667E-03 5134 0.122E-01 0.466E-01 RMM: 5 -0.334186097346E+03 0.13777E-02 -0.10892E-03 4616 0.905E-02 0.154E-01 RMM: 6 -0.334186092463E+03 0.48831E-05 -0.31067E-04 3916 0.455E-02 0.158E-01 RMM: 7 -0.334186005689E+03 0.86774E-04 -0.13501E-04 3866 0.359E-02 0.119E-01 RMM: 8 -0.334185910128E+03 0.95561E-04 -0.47591E-05 3275 0.205E-02 0.346E-02 RMM: 9 -0.334185914074E+03 -0.39455E-05 -0.17877E-05 2531 0.122E-02 3691 T= 6291. E= 0.67862972E+03 F= 0.62658209E+03 E0= 0.65538388E+03 EK= 0.52048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334298812168E+03 -0.11290E+00 -0.17300E-01 7596 0.239E+01 0.368E-01 RMM: 2 -0.334312650265E+03 -0.13838E-01 -0.10386E-01 5156 0.767E-01 0.999E-01 RMM: 3 -0.334305713267E+03 0.69370E-02 -0.10704E-02 5616 0.212E-01 0.240E-01 RMM: 4 -0.334306391719E+03 -0.67845E-03 -0.22073E-03 5068 0.121E-01 0.445E-01 RMM: 5 -0.334305143723E+03 0.12480E-02 -0.10987E-03 4624 0.910E-02 0.153E-01 RMM: 6 -0.334305167137E+03 -0.23413E-04 -0.33028E-04 3930 0.470E-02 0.169E-01 RMM: 7 -0.334305051132E+03 0.11600E-03 -0.14293E-04 3870 0.366E-02 0.116E-01 RMM: 8 -0.334304960929E+03 0.90203E-04 -0.44881E-05 3237 0.200E-02 0.336E-02 RMM: 9 -0.334304966217E+03 -0.52878E-05 -0.18362E-05 2532 0.124E-02 3692 T= 6425. E= 0.67920430E+03 F= 0.62605394E+03 E0= 0.65486700E+03 EK= 0.53150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334348569974E+03 -0.43609E-01 -0.18359E-01 7656 0.242E+01 0.365E-01 RMM: 2 -0.334364728341E+03 -0.16158E-01 -0.12276E-01 5015 0.835E-01 0.103E+00 RMM: 3 -0.334357303904E+03 0.74244E-02 -0.13332E-02 5662 0.232E-01 0.238E-01 RMM: 4 -0.334357795288E+03 -0.49138E-03 -0.21765E-03 5093 0.120E-01 0.419E-01 RMM: 5 -0.334356727451E+03 0.10678E-02 -0.10762E-03 4612 0.899E-02 0.171E-01 RMM: 6 -0.334356708181E+03 0.19271E-04 -0.35160E-04 3963 0.484E-02 0.167E-01 RMM: 7 -0.334356621398E+03 0.86783E-04 -0.15409E-04 3880 0.380E-02 0.132E-01 RMM: 8 -0.334356504924E+03 0.11647E-03 -0.56050E-05 3364 0.221E-02 0.350E-02 RMM: 9 -0.334356509039E+03 -0.41152E-05 -0.17580E-05 2532 0.121E-02 3693 T= 6561. E= 0.67987299E+03 F= 0.62559737E+03 E0= 0.65442913E+03 EK= 0.54276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334315723889E+03 0.40781E-01 -0.18317E-01 7968 0.244E+01 0.364E-01 RMM: 2 -0.334331087341E+03 -0.15363E-01 -0.10737E-01 5124 0.781E-01 0.107E+00 RMM: 3 -0.334323027413E+03 0.80599E-02 -0.11374E-02 5585 0.221E-01 0.248E-01 RMM: 4 -0.334323568751E+03 -0.54134E-03 -0.20956E-03 5001 0.117E-01 0.424E-01 RMM: 5 -0.334322484552E+03 0.10842E-02 -0.11032E-03 4609 0.915E-02 0.179E-01 RMM: 6 -0.334322428205E+03 0.56348E-04 -0.37234E-04 3977 0.498E-02 0.159E-01 RMM: 7 -0.334322376772E+03 0.51432E-04 -0.16247E-04 3873 0.383E-02 0.141E-01 RMM: 8 -0.334322243638E+03 0.13313E-03 -0.62381E-05 3457 0.236E-02 0.358E-02 RMM: 9 -0.334322246645E+03 -0.30075E-05 -0.17230E-05 2535 0.121E-02 3694 T= 6650. E= 0.68024023E+03 F= 0.62523025E+03 E0= 0.65408665E+03 EK= 0.55010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334186289633E+03 0.13595E+00 -0.18677E-01 7788 0.245E+01 0.360E-01 RMM: 2 -0.334203629825E+03 -0.17340E-01 -0.12352E-01 4955 0.822E-01 0.109E+00 RMM: 3 -0.334195083649E+03 0.85462E-02 -0.13668E-02 5635 0.239E-01 0.239E-01 RMM: 4 -0.334195687804E+03 -0.60416E-03 -0.21959E-03 5173 0.120E-01 0.432E-01 RMM: 5 -0.334194559882E+03 0.11279E-02 -0.10029E-03 4612 0.856E-02 0.183E-01 RMM: 6 -0.334194484897E+03 0.74984E-04 -0.35714E-04 3963 0.487E-02 0.156E-01 RMM: 7 -0.334194426933E+03 0.57964E-04 -0.17105E-04 3884 0.397E-02 0.135E-01 RMM: 8 -0.334194305929E+03 0.12100E-03 -0.65514E-05 3463 0.241E-02 0.350E-02 RMM: 9 -0.334194309460E+03 -0.35304E-05 -0.17564E-05 2543 0.123E-02 3695 T= 6658. E= 0.68003509E+03 F= 0.62495884E+03 E0= 0.65384423E+03 EK= 0.55076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333968697170E+03 0.22561E+00 -0.18255E-01 8196 0.245E+01 0.364E-01 RMM: 2 -0.333983537360E+03 -0.14840E-01 -0.10035E-01 5079 0.737E-01 0.108E+00 RMM: 3 -0.333975167660E+03 0.83697E-02 -0.10475E-02 5532 0.223E-01 0.262E-01 RMM: 4 -0.333975860154E+03 -0.69249E-03 -0.21603E-03 5136 0.118E-01 0.446E-01 RMM: 5 -0.333974663941E+03 0.11962E-02 -0.10986E-03 4612 0.912E-02 0.187E-01 RMM: 6 -0.333974532291E+03 0.13165E-03 -0.32963E-04 3932 0.471E-02 0.133E-01 RMM: 7 -0.333974526924E+03 0.53671E-05 -0.15835E-04 3877 0.375E-02 3696 T= 6583. E= 0.67923645E+03 F= 0.62477922E+03 E0= 0.65369661E+03 EK= 0.54457E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333665967253E+03 0.30857E+00 -0.18416E-01 8316 0.244E+01 0.407E-01 RMM: 2 -0.333678018357E+03 -0.12051E-01 -0.11291E-01 4937 0.774E-01 0.817E-01 RMM: 3 -0.333673358698E+03 0.46597E-02 -0.12163E-02 5557 0.235E-01 0.322E-01 RMM: 4 -0.333674498817E+03 -0.11401E-02 -0.26412E-03 5282 0.131E-01 0.558E-01 RMM: 5 -0.333672489014E+03 0.20098E-02 -0.13772E-03 4614 0.100E-01 0.151E-01 RMM: 6 -0.333672541957E+03 -0.52942E-04 -0.32209E-04 3915 0.463E-02 0.184E-01 RMM: 7 -0.333672374467E+03 0.16749E-03 -0.17873E-04 3875 0.418E-02 0.109E-01 RMM: 8 -0.333672298478E+03 0.75988E-04 -0.63665E-05 3429 0.235E-02 0.412E-02 RMM: 9 -0.333672310476E+03 -0.11998E-04 -0.28585E-05 2758 0.157E-02 3697 T= 6455. E= 0.67808062E+03 F= 0.62468027E+03 E0= 0.65362630E+03 EK= 0.53400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333296363748E+03 0.37593E+00 -0.18524E-01 8232 0.242E+01 0.337E-01 RMM: 2 -0.333312110131E+03 -0.15746E-01 -0.11929E-01 4990 0.789E-01 0.998E-01 RMM: 3 -0.333304707809E+03 0.74023E-02 -0.12238E-02 5630 0.231E-01 0.230E-01 RMM: 4 -0.333305327649E+03 -0.61984E-03 -0.19799E-03 5137 0.111E-01 0.418E-01 RMM: 5 -0.333304259340E+03 0.10683E-02 -0.88008E-04 4610 0.813E-02 0.156E-01 RMM: 6 -0.333304140293E+03 0.11905E-03 -0.22130E-04 3893 0.391E-02 0.912E-02 RMM: 7 -0.333304168171E+03 -0.27878E-04 -0.84007E-05 3632 0.272E-02 0.116E-01 RMM: 8 -0.333304077725E+03 0.90446E-04 -0.35957E-05 3080 0.188E-02 0.277E-02 RMM: 9 -0.333304075011E+03 0.27137E-05 -0.87971E-06 2472 0.874E-03 3698 T= 6322. E= 0.67694736E+03 F= 0.62464493E+03 E0= 0.65361686E+03 EK= 0.52302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332885958056E+03 0.41812E+00 -0.18566E-01 8148 0.240E+01 0.411E-01 RMM: 2 -0.332898491974E+03 -0.12534E-01 -0.12214E-01 4986 0.808E-01 0.803E-01 RMM: 3 -0.332893972572E+03 0.45194E-02 -0.12929E-02 5670 0.237E-01 0.324E-01 RMM: 4 -0.332894920329E+03 -0.94776E-03 -0.26410E-03 5292 0.129E-01 0.531E-01 RMM: 5 -0.332893086929E+03 0.18334E-02 -0.12850E-03 4612 0.971E-02 0.162E-01 RMM: 6 -0.332893009110E+03 0.77820E-04 -0.27685E-04 3931 0.432E-02 0.131E-01 RMM: 7 -0.332892996089E+03 0.13021E-04 -0.12965E-04 3870 0.337E-02 3699 T= 6232. E= 0.67620298E+03 F= 0.62465078E+03 E0= 0.65364442E+03 EK= 0.51552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332459944487E+03 0.43306E+00 -0.18190E-01 8016 0.240E+01 0.430E-01 RMM: 2 -0.332475561545E+03 -0.15617E-01 -0.11688E-01 5193 0.789E-01 0.110E+00 RMM: 3 -0.332467173532E+03 0.83880E-02 -0.11993E-02 5613 0.233E-01 0.311E-01 RMM: 4 -0.332468093831E+03 -0.92030E-03 -0.27273E-03 5281 0.129E-01 0.518E-01 RMM: 5 -0.332466344815E+03 0.17490E-02 -0.13254E-03 4613 0.101E-01 0.158E-01 RMM: 6 -0.332466329284E+03 0.15531E-04 -0.29728E-04 3925 0.445E-02 0.159E-01 RMM: 7 -0.332466245422E+03 0.83862E-04 -0.14551E-04 3876 0.366E-02 0.126E-01 RMM: 8 -0.332466144014E+03 0.10141E-03 -0.57710E-05 3375 0.224E-02 0.416E-02 RMM: 9 -0.332466155025E+03 -0.11011E-04 -0.27617E-05 2800 0.151E-02 3700 T= 6214. E= 0.67608111E+03 F= 0.62467278E+03 E0= 0.65368190E+03 EK= 0.51408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332044485838E+03 0.42166E+00 -0.18553E-01 8100 0.240E+01 0.369E-01 RMM: 2 -0.332062344604E+03 -0.17859E-01 -0.12211E-01 5140 0.800E-01 0.117E+00 RMM: 3 -0.332052634895E+03 0.97097E-02 -0.12539E-02 5629 0.234E-01 0.231E-01 RMM: 4 -0.332053456049E+03 -0.82115E-03 -0.22236E-03 5099 0.116E-01 0.454E-01 RMM: 5 -0.332052189694E+03 0.12664E-02 -0.91144E-04 4607 0.820E-02 0.161E-01 RMM: 6 -0.332052059945E+03 0.12975E-03 -0.24099E-04 3889 0.406E-02 0.902E-02 RMM: 7 -0.332052092903E+03 -0.32958E-04 -0.79140E-05 3598 0.263E-02 0.116E-01 RMM: 8 -0.332051999717E+03 0.93185E-04 -0.36234E-05 3097 0.187E-02 0.264E-02 RMM: 9 -0.332051998040E+03 0.16772E-05 -0.79954E-06 2474 0.805E-03 3701 T= 6279. E= 0.67662539E+03 F= 0.62468505E+03 E0= 0.65370401E+03 EK= 0.51940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331669608444E+03 0.38239E+00 -0.18847E-01 7980 0.242E+01 0.413E-01 RMM: 2 -0.331687431674E+03 -0.17823E-01 -0.12649E-01 5231 0.815E-01 0.117E+00 RMM: 3 -0.331677666847E+03 0.97648E-02 -0.12835E-02 5624 0.236E-01 0.280E-01 RMM: 4 -0.331678440469E+03 -0.77362E-03 -0.26982E-03 5217 0.129E-01 0.483E-01 RMM: 5 -0.331677063232E+03 0.13772E-02 -0.11901E-03 4611 0.947E-02 0.205E-01 RMM: 6 -0.331676837021E+03 0.22621E-03 -0.27763E-04 3947 0.431E-02 0.110E-01 RMM: 7 -0.331676873500E+03 -0.36478E-04 -0.15810E-04 3882 0.361E-02 0.139E-01 RMM: 8 -0.331676740551E+03 0.13295E-03 -0.68526E-05 3484 0.250E-02 0.384E-02 RMM: 9 -0.331676742998E+03 -0.24465E-05 -0.18955E-05 2557 0.125E-02 3702 T= 6408. E= 0.67767472E+03 F= 0.62466367E+03 E0= 0.65368691E+03 EK= 0.53011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331358650422E+03 0.31809E+00 -0.18832E-01 7968 0.244E+01 0.400E-01 RMM: 2 -0.331380641415E+03 -0.21991E-01 -0.12017E-01 5246 0.803E-01 0.144E+00 RMM: 3 -0.331366386813E+03 0.14255E-01 -0.12828E-02 5533 0.244E-01 0.250E-01 RMM: 4 -0.331367142587E+03 -0.75577E-03 -0.24675E-03 5141 0.121E-01 0.454E-01 RMM: 5 -0.331365869910E+03 0.12727E-02 -0.10341E-03 4605 0.873E-02 0.165E-01 RMM: 6 -0.331365790612E+03 0.79299E-04 -0.28594E-04 3891 0.438E-02 0.129E-01 RMM: 7 -0.331365774013E+03 0.16599E-04 -0.11383E-04 3846 0.321E-02 3703 T= 6564. E= 0.67888372E+03 F= 0.62458446E+03 E0= 0.65360710E+03 EK= 0.54299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331137770091E+03 0.22802E+00 -0.19247E-01 7956 0.245E+01 0.400E-01 RMM: 2 -0.331152201115E+03 -0.14431E-01 -0.11042E-01 5298 0.759E-01 0.103E+00 RMM: 3 -0.331144863361E+03 0.73378E-02 -0.10544E-02 5570 0.215E-01 0.298E-01 RMM: 4 -0.331145705403E+03 -0.84204E-03 -0.25168E-03 5198 0.125E-01 0.498E-01 RMM: 5 -0.331144112452E+03 0.15930E-02 -0.12175E-03 4608 0.961E-02 0.156E-01 RMM: 6 -0.331144115944E+03 -0.34919E-05 -0.30819E-04 3897 0.451E-02 0.166E-01 RMM: 7 -0.331143989611E+03 0.12633E-03 -0.15182E-04 3883 0.377E-02 0.110E-01 RMM: 8 -0.331143913667E+03 0.75944E-04 -0.51716E-05 3321 0.211E-02 0.393E-02 RMM: 9 -0.331143926004E+03 -0.12337E-04 -0.27268E-05 2762 0.149E-02 3704 T= 6694. E= 0.67980259E+03 F= 0.62442228E+03 E0= 0.65344209E+03 EK= 0.55380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331029202836E+03 0.11471E+00 -0.19934E-01 7812 0.245E+01 0.339E-01 RMM: 2 -0.331045611525E+03 -0.16409E-01 -0.11777E-01 5121 0.800E-01 0.108E+00 RMM: 3 -0.331037564168E+03 0.80474E-02 -0.12248E-02 5705 0.223E-01 0.223E-01 RMM: 4 -0.331038048098E+03 -0.48393E-03 -0.19066E-03 4956 0.109E-01 0.394E-01 RMM: 5 -0.331037097453E+03 0.95064E-03 -0.83645E-04 4592 0.791E-02 0.156E-01 RMM: 6 -0.331036992482E+03 0.10497E-03 -0.25964E-04 3899 0.422E-02 0.979E-02 RMM: 7 -0.331036956605E+03 0.35877E-04 -0.70097E-05 3532 0.271E-02 0.746E-02 RMM: 8 -0.331036921285E+03 0.35319E-04 -0.15764E-05 2557 0.125E-02 0.222E-02 RMM: 9 -0.331036922926E+03 -0.16407E-05 -0.75525E-06 2460 0.780E-03 3705 T= 6754. E= 0.68002708E+03 F= 0.62414966E+03 E0= 0.65316393E+03 EK= 0.55877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331065881812E+03 -0.28961E-01 -0.18743E-01 7776 0.244E+01 0.372E-01 RMM: 2 -0.331075921193E+03 -0.10039E-01 -0.94421E-02 5347 0.695E-01 0.778E-01 RMM: 3 -0.331071715066E+03 0.42061E-02 -0.80987E-03 5672 0.184E-01 0.287E-01 RMM: 4 -0.331072554132E+03 -0.83907E-03 -0.20677E-03 4932 0.116E-01 0.485E-01 RMM: 5 -0.331071012839E+03 0.15413E-02 -0.10463E-03 4607 0.874E-02 0.144E-01 RMM: 6 -0.331070994830E+03 0.18009E-04 -0.29289E-04 3901 0.443E-02 0.142E-01 RMM: 7 -0.331070915093E+03 0.79737E-04 -0.11706E-04 3844 0.333E-02 0.103E-01 RMM: 8 -0.331070845793E+03 0.69299E-04 -0.33087E-05 3016 0.175E-02 0.344E-02 RMM: 9 -0.331070853984E+03 -0.81902E-05 -0.20625E-05 2574 0.128E-02 3706 T= 6724. E= 0.67936542E+03 F= 0.62373782E+03 E0= 0.65274402E+03 EK= 0.55628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331259846075E+03 -0.18900E+00 -0.18130E-01 7620 0.241E+01 0.350E-01 RMM: 2 -0.331269022493E+03 -0.91764E-02 -0.90007E-02 5231 0.686E-01 0.706E-01 RMM: 3 -0.331265597583E+03 0.34249E-02 -0.83356E-03 5699 0.185E-01 0.281E-01 RMM: 4 -0.331266274393E+03 -0.67681E-03 -0.17701E-03 4851 0.108E-01 0.450E-01 RMM: 5 -0.331264927806E+03 0.13466E-02 -0.92821E-04 4601 0.824E-02 0.139E-01 RMM: 6 -0.331264894772E+03 0.33034E-04 -0.25824E-04 3896 0.417E-02 0.127E-01 RMM: 7 -0.331264830508E+03 0.64264E-04 -0.99752E-05 3767 0.310E-02 0.913E-02 RMM: 8 -0.331264777553E+03 0.52955E-04 -0.27110E-05 2894 0.162E-02 0.320E-02 RMM: 9 -0.331264782507E+03 -0.49537E-05 -0.15246E-05 2505 0.111E-02 3707 T= 6619. E= 0.67792179E+03 F= 0.62316492E+03 E0= 0.65215976E+03 EK= 0.54757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331616473024E+03 -0.35170E+00 -0.18027E-01 7728 0.237E+01 0.356E-01 RMM: 2 -0.331624347349E+03 -0.78743E-02 -0.84772E-02 5165 0.667E-01 0.623E-01 RMM: 3 -0.331621735648E+03 0.26117E-02 -0.81406E-03 5596 0.189E-01 0.303E-01 RMM: 4 -0.331622517222E+03 -0.78157E-03 -0.17089E-03 4895 0.105E-01 0.483E-01 RMM: 5 -0.331621006609E+03 0.15106E-02 -0.87604E-04 4609 0.801E-02 0.139E-01 RMM: 6 -0.331620963789E+03 0.42820E-04 -0.24183E-04 3894 0.400E-02 0.123E-01 RMM: 7 -0.331620921523E+03 0.42266E-04 -0.10107E-04 3774 0.305E-02 0.103E-01 RMM: 8 -0.331620851711E+03 0.69812E-04 -0.34751E-05 3053 0.182E-02 0.327E-02 RMM: 9 -0.331620856025E+03 -0.43136E-05 -0.15949E-05 2516 0.113E-02 3708 T= 6480. E= 0.67603529E+03 F= 0.62242667E+03 E0= 0.65140472E+03 EK= 0.53609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332111918243E+03 -0.49107E+00 -0.17897E-01 7860 0.234E+01 0.355E-01 RMM: 2 -0.332120055678E+03 -0.81374E-02 -0.82755E-02 5294 0.650E-01 0.671E-01 RMM: 3 -0.332116865336E+03 0.31903E-02 -0.74008E-03 5545 0.180E-01 0.287E-01 RMM: 4 -0.332117681612E+03 -0.81628E-03 -0.18015E-03 4846 0.109E-01 0.474E-01 RMM: 5 -0.332116189050E+03 0.14926E-02 -0.92026E-04 4605 0.820E-02 0.138E-01 RMM: 6 -0.332116165485E+03 0.23564E-04 -0.26210E-04 3905 0.418E-02 0.133E-01 RMM: 7 -0.332116117284E+03 0.48202E-04 -0.10636E-04 3785 0.317E-02 0.109E-01 RMM: 8 -0.332116039135E+03 0.78149E-04 -0.36291E-05 3080 0.185E-02 0.350E-02 RMM: 9 -0.332116040639E+03 -0.15040E-05 -0.15789E-05 2510 0.115E-02 3709 T= 6355. E= 0.67412129E+03 F= 0.62154518E+03 E0= 0.65049980E+03 EK= 0.52576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332698995798E+03 -0.58296E+00 -0.18283E-01 8052 0.232E+01 0.346E-01 RMM: 2 -0.332707499578E+03 -0.85038E-02 -0.89513E-02 5232 0.669E-01 0.621E-01 RMM: 3 -0.332704840518E+03 0.26591E-02 -0.84268E-03 5602 0.192E-01 0.303E-01 RMM: 4 -0.332705546502E+03 -0.70598E-03 -0.17362E-03 4943 0.108E-01 0.469E-01 RMM: 5 -0.332704069294E+03 0.14772E-02 -0.88722E-04 4612 0.808E-02 0.120E-01 RMM: 6 -0.332704115951E+03 -0.46657E-04 -0.28527E-04 3916 0.436E-02 0.153E-01 RMM: 7 -0.332704001836E+03 0.11411E-03 -0.12000E-04 3862 0.338E-02 0.916E-02 RMM: 8 -0.332703948987E+03 0.52850E-04 -0.29034E-05 2898 0.166E-02 0.341E-02 RMM: 9 -0.332703952726E+03 -0.37394E-05 -0.15344E-05 2514 0.112E-02 3710 T= 6280. E= 0.67252203E+03 F= 0.62056723E+03 E0= 0.64949030E+03 EK= 0.51955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333312190560E+03 -0.60824E+00 -0.18394E-01 8592 0.232E+01 0.342E-01 RMM: 2 -0.333321886222E+03 -0.96957E-02 -0.91859E-02 5429 0.663E-01 0.720E-01 RMM: 3 -0.333318041872E+03 0.38443E-02 -0.73911E-03 5599 0.178E-01 0.267E-01 RMM: 4 -0.333318742502E+03 -0.70063E-03 -0.18502E-03 4821 0.111E-01 0.455E-01 RMM: 5 -0.333317400899E+03 0.13416E-02 -0.94319E-04 4604 0.835E-02 0.132E-01 RMM: 6 -0.333317460959E+03 -0.60060E-04 -0.29826E-04 3910 0.446E-02 0.168E-01 RMM: 7 -0.333317334323E+03 0.12664E-03 -0.12715E-04 3832 0.352E-02 0.105E-01 RMM: 8 -0.333317262824E+03 0.71499E-04 -0.36650E-05 3083 0.182E-02 0.343E-02 RMM: 9 -0.333317265929E+03 -0.31046E-05 -0.17955E-05 2529 0.123E-02 3711 T= 6270. E= 0.67142823E+03 F= 0.61956162E+03 E0= 0.64844425E+03 EK= 0.51867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333871486483E+03 -0.55422E+00 -0.18473E-01 8892 0.233E+01 0.335E-01 RMM: 2 -0.333881713285E+03 -0.10227E-01 -0.99803E-02 5452 0.678E-01 0.685E-01 RMM: 3 -0.333878083846E+03 0.36294E-02 -0.77022E-03 5683 0.179E-01 0.258E-01 RMM: 4 -0.333878697819E+03 -0.61397E-03 -0.16719E-03 4759 0.106E-01 0.437E-01 RMM: 5 -0.333877437911E+03 0.12599E-02 -0.87180E-04 4608 0.805E-02 0.126E-01 RMM: 6 -0.333877540464E+03 -0.10255E-03 -0.30054E-04 3908 0.446E-02 0.181E-01 RMM: 7 -0.333877374036E+03 0.16643E-03 -0.13567E-04 3874 0.362E-02 0.101E-01 RMM: 8 -0.333877308469E+03 0.65567E-04 -0.36717E-05 3064 0.182E-02 0.343E-02 RMM: 9 -0.333877312758E+03 -0.42889E-05 -0.18162E-05 2522 0.124E-02 3712 T= 6316. E= 0.67085912E+03 F= 0.61860896E+03 E0= 0.64744216E+03 EK= 0.52250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334296044545E+03 -0.41874E+00 -0.19347E-01 9060 0.234E+01 0.331E-01 RMM: 2 -0.334307886336E+03 -0.11842E-01 -0.11018E-01 5468 0.696E-01 0.737E-01 RMM: 3 -0.334303455603E+03 0.44307E-02 -0.80522E-03 5682 0.181E-01 0.238E-01 RMM: 4 -0.334304009545E+03 -0.55394E-03 -0.17582E-03 4750 0.109E-01 0.426E-01 RMM: 5 -0.334302872130E+03 0.11374E-02 -0.89712E-04 4608 0.813E-02 0.138E-01 RMM: 6 -0.334302971466E+03 -0.99336E-04 -0.33427E-04 3909 0.468E-02 0.188E-01 RMM: 7 -0.334302795599E+03 0.17587E-03 -0.14446E-04 3875 0.379E-02 0.103E-01 RMM: 8 -0.334302726461E+03 0.69138E-04 -0.34944E-05 3028 0.177E-02 0.349E-02 RMM: 9 -0.334302730349E+03 -0.38883E-05 -0.19553E-05 2536 0.128E-02 3713 T= 6394. E= 0.67068950E+03 F= 0.61779239E+03 E0= 0.64656785E+03 EK= 0.52897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334516808561E+03 -0.21408E+00 -0.20952E-01 9048 0.236E+01 0.330E-01 RMM: 2 -0.334530293112E+03 -0.13485E-01 -0.12052E-01 5503 0.711E-01 0.793E-01 RMM: 3 -0.334524918545E+03 0.53746E-02 -0.85884E-03 5758 0.184E-01 0.229E-01 RMM: 4 -0.334525460195E+03 -0.54165E-03 -0.17299E-03 4740 0.108E-01 0.417E-01 RMM: 5 -0.334524349389E+03 0.11108E-02 -0.85802E-04 4597 0.798E-02 0.133E-01 RMM: 6 -0.334524451825E+03 -0.10244E-03 -0.29525E-04 3907 0.438E-02 0.185E-01 RMM: 7 -0.334524259974E+03 0.19185E-03 -0.14529E-04 3875 0.376E-02 0.918E-02 RMM: 8 -0.334524205970E+03 0.54004E-04 -0.34198E-05 3026 0.177E-02 0.337E-02 RMM: 9 -0.334524209655E+03 -0.36842E-05 -0.20926E-05 2535 0.133E-02 3714 T= 6470. E= 0.67070776E+03 F= 0.61718234E+03 E0= 0.64589309E+03 EK= 0.53525E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334490880257E+03 0.33326E-01 -0.22569E-01 9060 0.237E+01 0.332E-01 RMM: 2 -0.334505256668E+03 -0.14376E-01 -0.12945E-01 5648 0.716E-01 0.793E-01 RMM: 3 -0.334499562059E+03 0.56946E-02 -0.81545E-03 5772 0.179E-01 0.228E-01 RMM: 4 -0.334500096098E+03 -0.53404E-03 -0.18030E-03 4720 0.110E-01 0.415E-01 RMM: 5 -0.334498980256E+03 0.11158E-02 -0.90286E-04 4608 0.816E-02 0.123E-01 RMM: 6 -0.334499126884E+03 -0.14663E-03 -0.30105E-04 3893 0.441E-02 0.197E-01 RMM: 7 -0.334498903676E+03 0.22321E-03 -0.13576E-04 3875 0.369E-02 0.839E-02 RMM: 8 -0.334498858443E+03 0.45233E-04 -0.28183E-05 2892 0.159E-02 0.333E-02 RMM: 9 -0.334498862683E+03 -0.42404E-05 -0.19687E-05 2525 0.129E-02 3715 T= 6513. E= 0.67070131E+03 F= 0.61682205E+03 E0= 0.64546336E+03 EK= 0.53879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334210078363E+03 0.28878E+00 -0.23949E-01 9048 0.237E+01 0.336E-01 RMM: 2 -0.334224473286E+03 -0.14395E-01 -0.13706E-01 5720 0.728E-01 0.725E-01 RMM: 3 -0.334219450745E+03 0.50225E-02 -0.79781E-03 5756 0.179E-01 0.250E-01 RMM: 4 -0.334220082728E+03 -0.63198E-03 -0.17824E-03 4754 0.108E-01 0.435E-01 RMM: 5 -0.334218835848E+03 0.12469E-02 -0.87867E-04 4609 0.802E-02 0.123E-01 RMM: 6 -0.334218920602E+03 -0.84754E-04 -0.27957E-04 3897 0.429E-02 0.169E-01 RMM: 7 -0.334218766410E+03 0.15419E-03 -0.11792E-04 3868 0.339E-02 0.901E-02 RMM: 8 -0.334218713205E+03 0.53205E-04 -0.29207E-05 2935 0.163E-02 0.312E-02 RMM: 9 -0.334218718161E+03 -0.49563E-05 -0.17998E-05 2523 0.121E-02 3716 T= 6507. E= 0.67054822E+03 F= 0.61671926E+03 E0= 0.64528825E+03 EK= 0.53829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333703934144E+03 0.51478E+00 -0.25398E-01 9000 0.236E+01 0.347E-01 RMM: 2 -0.333719712935E+03 -0.15779E-01 -0.14436E-01 5641 0.757E-01 0.792E-01 RMM: 3 -0.333714158203E+03 0.55547E-02 -0.91432E-03 5677 0.190E-01 0.235E-01 RMM: 4 -0.333714862402E+03 -0.70420E-03 -0.19194E-03 4874 0.112E-01 0.443E-01 RMM: 5 -0.333713554560E+03 0.13078E-02 -0.89279E-04 4609 0.805E-02 0.110E-01 RMM: 6 -0.333713647482E+03 -0.92922E-04 -0.25111E-04 3894 0.404E-02 0.165E-01 RMM: 7 -0.333713499075E+03 0.14841E-03 -0.10320E-04 3834 0.317E-02 0.839E-02 RMM: 8 -0.333713452731E+03 0.46344E-04 -0.26987E-05 2894 0.156E-02 0.296E-02 RMM: 9 -0.333713458287E+03 -0.55557E-05 -0.16654E-05 2511 0.119E-02 3717 T= 6458. E= 0.67026716E+03 F= 0.61684386E+03 E0= 0.64534026E+03 EK= 0.53423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333030262181E+03 0.68319E+00 -0.26594E-01 8940 0.235E+01 0.345E-01 RMM: 2 -0.333044254380E+03 -0.13992E-01 -0.14267E-01 5858 0.750E-01 0.624E-01 RMM: 3 -0.333040567009E+03 0.36874E-02 -0.79453E-03 5591 0.183E-01 0.287E-01 RMM: 4 -0.333041198799E+03 -0.63179E-03 -0.17310E-03 4801 0.106E-01 0.449E-01 RMM: 5 -0.333039846665E+03 0.13521E-02 -0.81239E-04 4610 0.761E-02 0.112E-01 RMM: 6 -0.333039897729E+03 -0.51064E-04 -0.22824E-04 3893 0.385E-02 0.147E-01 RMM: 7 -0.333039796882E+03 0.10085E-03 -0.90822E-05 3756 0.295E-02 0.900E-02 RMM: 8 -0.333039742215E+03 0.54667E-04 -0.29272E-05 2950 0.165E-02 0.293E-02 RMM: 9 -0.333039747209E+03 -0.49939E-05 -0.15842E-05 2511 0.115E-02 3718 T= 6390. E= 0.67000014E+03 F= 0.61713910E+03 E0= 0.64556402E+03 EK= 0.52861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332252937254E+03 0.78680E+00 -0.26894E-01 8952 0.233E+01 0.347E-01 RMM: 2 -0.332268434771E+03 -0.15498E-01 -0.15006E-01 5731 0.773E-01 0.702E-01 RMM: 3 -0.332263771470E+03 0.46633E-02 -0.91879E-03 5616 0.191E-01 0.250E-01 RMM: 4 -0.332264496249E+03 -0.72478E-03 -0.18510E-03 4917 0.109E-01 0.451E-01 RMM: 5 -0.332263145318E+03 0.13509E-02 -0.83035E-04 4608 0.772E-02 0.108E-01 RMM: 6 -0.332263185407E+03 -0.40089E-04 -0.20321E-04 3894 0.364E-02 0.138E-01 RMM: 7 -0.332263095109E+03 0.90298E-04 -0.81879E-05 3684 0.282E-02 0.858E-02 RMM: 8 -0.332263046129E+03 0.48981E-04 -0.27117E-05 2902 0.159E-02 0.283E-02 RMM: 9 -0.332263051340E+03 -0.52110E-05 -0.14465E-05 2503 0.110E-02 3719 T= 6334. E= 0.66993751E+03 F= 0.61754003E+03 E0= 0.64589601E+03 EK= 0.52397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331425718572E+03 0.83733E+00 -0.25774E-01 8952 0.233E+01 0.336E-01 RMM: 2 -0.331439356513E+03 -0.13638E-01 -0.14079E-01 5886 0.743E-01 0.586E-01 RMM: 3 -0.331435924536E+03 0.34320E-02 -0.78008E-03 5559 0.183E-01 0.286E-01 RMM: 4 -0.331436452646E+03 -0.52811E-03 -0.16575E-03 4842 0.104E-01 0.427E-01 RMM: 5 -0.331435245250E+03 0.12074E-02 -0.73361E-04 4603 0.720E-02 0.114E-01 RMM: 6 -0.331435259619E+03 -0.14369E-04 -0.20960E-04 3888 0.371E-02 0.129E-01 RMM: 7 -0.331435189872E+03 0.69747E-04 -0.82075E-05 3670 0.284E-02 0.872E-02 RMM: 8 -0.331435138144E+03 0.51727E-04 -0.25120E-05 2793 0.156E-02 0.287E-02 RMM: 9 -0.331435141436E+03 -0.32917E-05 -0.14617E-05 2496 0.110E-02 3720 T= 6314. E= 0.67023201E+03 F= 0.61799602E+03 E0= 0.64628651E+03 EK= 0.52236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330573198009E+03 0.86194E+00 -0.25494E-01 8964 0.233E+01 0.327E-01 RMM: 2 -0.330587201039E+03 -0.14003E-01 -0.13894E-01 5771 0.746E-01 0.634E-01 RMM: 3 -0.330583142005E+03 0.40590E-02 -0.78207E-03 5674 0.180E-01 0.234E-01 RMM: 4 -0.330583756772E+03 -0.61477E-03 -0.16542E-03 4822 0.104E-01 0.421E-01 RMM: 5 -0.330582587762E+03 0.11690E-02 -0.78129E-04 4590 0.747E-02 0.974E-02 RMM: 6 -0.330582657081E+03 -0.69319E-04 -0.18227E-04 3886 0.347E-02 0.145E-01 RMM: 7 -0.330582542130E+03 0.11495E-03 -0.78264E-05 3645 0.280E-02 0.752E-02 RMM: 8 -0.330582505066E+03 0.37064E-04 -0.22875E-05 2747 0.148E-02 0.274E-02 RMM: 9 -0.330582508905E+03 -0.38398E-05 -0.13534E-05 2490 0.107E-02 3721 T= 6341. E= 0.67093726E+03 F= 0.61848204E+03 E0= 0.64671197E+03 EK= 0.52455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329690147205E+03 0.89236E+00 -0.24853E-01 8940 0.235E+01 0.320E-01 RMM: 2 -0.329703896642E+03 -0.13749E-01 -0.13296E-01 5680 0.732E-01 0.662E-01 RMM: 3 -0.329699539984E+03 0.43567E-02 -0.76114E-03 5743 0.178E-01 0.229E-01 RMM: 4 -0.329700112308E+03 -0.57232E-03 -0.16267E-03 4796 0.104E-01 0.406E-01 RMM: 5 -0.329699034916E+03 0.10774E-02 -0.78992E-04 4608 0.755E-02 0.119E-01 RMM: 6 -0.329699054986E+03 -0.20070E-04 -0.23346E-04 3895 0.395E-02 0.137E-01 RMM: 7 -0.329698969892E+03 0.85094E-04 -0.92557E-05 3733 0.305E-02 0.857E-02 RMM: 8 -0.329698920829E+03 0.49063E-04 -0.23135E-05 2731 0.150E-02 0.292E-02 RMM: 9 -0.329698923651E+03 -0.28225E-05 -0.13651E-05 2490 0.106E-02 3722 T= 6404. E= 0.67198674E+03 F= 0.61900572E+03 E0= 0.64718091E+03 EK= 0.52981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328742260516E+03 0.95666E+00 -0.24468E-01 9048 0.237E+01 0.312E-01 RMM: 2 -0.328756485945E+03 -0.14225E-01 -0.13452E-01 5586 0.743E-01 0.686E-01 RMM: 3 -0.328751802734E+03 0.46832E-02 -0.83812E-03 5858 0.180E-01 0.200E-01 RMM: 4 -0.328752288177E+03 -0.48544E-03 -0.15518E-03 4769 0.102E-01 0.385E-01 RMM: 5 -0.328751316354E+03 0.97182E-03 -0.76229E-04 4606 0.744E-02 0.103E-01 RMM: 6 -0.328751402979E+03 -0.86625E-04 -0.21367E-04 3893 0.378E-02 0.155E-01 RMM: 7 -0.328751261314E+03 0.14166E-03 -0.87607E-05 3717 0.298E-02 0.728E-02 RMM: 8 -0.328751226605E+03 0.34710E-04 -0.22484E-05 2727 0.145E-02 0.288E-02 RMM: 9 -0.328751229240E+03 -0.26352E-05 -0.14555E-05 2493 0.112E-02 3723 T= 6480. E= 0.67320957E+03 F= 0.61960108E+03 E0= 0.64772937E+03 EK= 0.53608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327684744591E+03 0.10665E+01 -0.23935E-01 8916 0.239E+01 0.307E-01 RMM: 2 -0.327699056507E+03 -0.14312E-01 -0.13375E-01 5488 0.761E-01 0.708E-01 RMM: 3 -0.327694437691E+03 0.46188E-02 -0.91761E-03 5980 0.186E-01 0.210E-01 RMM: 4 -0.327694819302E+03 -0.38161E-03 -0.14921E-03 4774 0.999E-02 0.370E-01 RMM: 5 -0.327693903973E+03 0.91533E-03 -0.77941E-04 4608 0.761E-02 0.103E-01 RMM: 6 -0.327694008006E+03 -0.10403E-03 -0.22215E-04 3880 0.383E-02 0.165E-01 RMM: 7 -0.327693856517E+03 0.15149E-03 -0.94738E-05 3711 0.306E-02 0.797E-02 RMM: 8 -0.327693814746E+03 0.41771E-04 -0.24323E-05 2820 0.150E-02 0.284E-02 RMM: 9 -0.327693819087E+03 -0.43414E-05 -0.13702E-05 2496 0.106E-02 3724 T= 6537. E= 0.67439133E+03 F= 0.62031394E+03 E0= 0.64840358E+03 EK= 0.54077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326476765578E+03 0.12170E+01 -0.23446E-01 8964 0.240E+01 0.314E-01 RMM: 2 -0.326491359599E+03 -0.14594E-01 -0.12954E-01 5483 0.758E-01 0.782E-01 RMM: 3 -0.326486012281E+03 0.53473E-02 -0.91324E-03 6051 0.187E-01 0.199E-01 RMM: 4 -0.326486424478E+03 -0.41220E-03 -0.14848E-03 4762 0.991E-02 0.370E-01 RMM: 5 -0.326485523256E+03 0.90122E-03 -0.75474E-04 4608 0.751E-02 0.114E-01 RMM: 6 -0.326485574632E+03 -0.51376E-04 -0.23829E-04 3900 0.401E-02 0.146E-01 RMM: 7 -0.326485459370E+03 0.11526E-03 -0.89142E-05 3698 0.301E-02 0.792E-02 RMM: 8 -0.326485417497E+03 0.41872E-04 -0.22024E-05 2722 0.143E-02 0.283E-02 RMM: 9 -0.326485421248E+03 -0.37507E-05 -0.13987E-05 2499 0.107E-02 3725 T= 6549. E= 0.67536249E+03 F= 0.62118513E+03 E0= 0.64924471E+03 EK= 0.54177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325096720008E+03 0.13887E+01 -0.22668E-01 8892 0.240E+01 0.305E-01 RMM: 2 -0.325110704001E+03 -0.13984E-01 -0.12966E-01 5410 0.765E-01 0.714E-01 RMM: 3 -0.325106154880E+03 0.45491E-02 -0.97503E-03 5965 0.191E-01 0.205E-01 RMM: 4 -0.325106559241E+03 -0.40436E-03 -0.14612E-03 4812 0.980E-02 0.371E-01 RMM: 5 -0.325105631688E+03 0.92755E-03 -0.71660E-04 4605 0.727E-02 0.969E-02 RMM: 6 -0.325105721275E+03 -0.89587E-04 -0.18541E-04 3881 0.347E-02 0.154E-01 RMM: 7 -0.325105588824E+03 0.13245E-03 -0.82363E-05 3655 0.283E-02 0.768E-02 RMM: 8 -0.325105550239E+03 0.38585E-04 -0.24526E-05 2845 0.151E-02 0.269E-02 RMM: 9 -0.325105554765E+03 -0.45264E-05 -0.11992E-05 2493 0.974E-03 3726 T= 6509. E= 0.67607999E+03 F= 0.62223443E+03 E0= 0.65027169E+03 EK= 0.53846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323554013135E+03 0.15515E+01 -0.21619E-01 8940 0.240E+01 0.315E-01 RMM: 2 -0.323567397416E+03 -0.13384E-01 -0.11787E-01 5437 0.734E-01 0.781E-01 RMM: 3 -0.323562290721E+03 0.51067E-02 -0.87416E-03 5927 0.187E-01 0.206E-01 RMM: 4 -0.323562785613E+03 -0.49489E-03 -0.15034E-03 4761 0.985E-02 0.381E-01 RMM: 5 -0.323561816649E+03 0.96896E-03 -0.68063E-04 4599 0.702E-02 0.111E-01 RMM: 6 -0.323561840937E+03 -0.24288E-04 -0.19494E-04 3884 0.360E-02 0.129E-01 RMM: 7 -0.323561779609E+03 0.61328E-04 -0.75342E-05 3586 0.268E-02 0.970E-02 RMM: 8 -0.323561715564E+03 0.64045E-04 -0.30059E-05 2971 0.167E-02 0.259E-02 RMM: 9 -0.323561719201E+03 -0.36372E-05 -0.12299E-05 2496 0.973E-03 3727 T= 6431. E= 0.67665659E+03 F= 0.62345382E+03 E0= 0.65147491E+03 EK= 0.53203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321882564682E+03 0.16792E+01 -0.20848E-01 8652 0.238E+01 0.304E-01 RMM: 2 -0.321895655954E+03 -0.13091E-01 -0.12467E-01 5260 0.769E-01 0.659E-01 RMM: 3 -0.321891809311E+03 0.38466E-02 -0.10305E-02 5756 0.201E-01 0.214E-01 RMM: 4 -0.321892175637E+03 -0.36633E-03 -0.14144E-03 4904 0.953E-02 0.363E-01 RMM: 5 -0.321891291469E+03 0.88417E-03 -0.61586E-04 4580 0.663E-02 0.954E-02 RMM: 6 -0.321891330181E+03 -0.38712E-04 -0.15106E-04 3878 0.311E-02 0.127E-01 RMM: 7 -0.321891248596E+03 0.81585E-04 -0.69424E-05 3541 0.254E-02 0.767E-02 RMM: 8 -0.321891209411E+03 0.39185E-04 -0.24189E-05 2827 0.151E-02 0.247E-02 RMM: 9 -0.321891214279E+03 -0.48678E-05 -0.11969E-05 2488 0.957E-03 3728 T= 6347. E= 0.67731086E+03 F= 0.62480599E+03 E0= 0.65281537E+03 EK= 0.52505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320143416574E+03 0.17478E+01 -0.19792E-01 8700 0.237E+01 0.307E-01 RMM: 2 -0.320155332900E+03 -0.11916E-01 -0.10634E-01 5380 0.711E-01 0.731E-01 RMM: 3 -0.320150886167E+03 0.44467E-02 -0.83084E-03 5660 0.190E-01 0.208E-01 RMM: 4 -0.320151453013E+03 -0.56685E-03 -0.14192E-03 4845 0.947E-02 0.384E-01 RMM: 5 -0.320150464553E+03 0.98846E-03 -0.58897E-04 4546 0.646E-02 0.104E-01 RMM: 6 -0.320150464886E+03 -0.33362E-06 -0.15207E-04 3877 0.317E-02 3729 T= 6291. E= 0.67827682E+03 F= 0.62623521E+03 E0= 0.65423634E+03 EK= 0.52042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318397417700E+03 0.17530E+01 -0.19605E-01 7920 0.236E+01 0.397E-01 RMM: 2 -0.318423223664E+03 -0.25806E-01 -0.13324E-01 4940 0.837E-01 0.149E+00 RMM: 3 -0.318407047596E+03 0.16176E-01 -0.16608E-02 5386 0.296E-01 0.300E-01 RMM: 4 -0.318407224902E+03 -0.17731E-03 -0.23740E-03 5255 0.110E-01 0.359E-01 RMM: 5 -0.318406589671E+03 0.63523E-03 -0.74027E-04 4605 0.699E-02 0.225E-01 RMM: 6 -0.318406283474E+03 0.30620E-03 -0.32275E-04 3911 0.475E-02 0.930E-02 RMM: 7 -0.318406382750E+03 -0.99276E-04 -0.14254E-04 3875 0.328E-02 0.156E-01 RMM: 8 -0.318406215877E+03 0.16687E-03 -0.72826E-05 3542 0.256E-02 0.427E-02 RMM: 9 -0.318406209939E+03 0.59373E-05 -0.18153E-05 2572 0.123E-02 3730 T= 6290. E= 0.67970909E+03 F= 0.62767595E+03 E0= 0.65566901E+03 EK= 0.52033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316716563066E+03 0.16897E+01 -0.18649E-01 7908 0.236E+01 0.362E-01 RMM: 2 -0.316741033672E+03 -0.24471E-01 -0.10711E-01 4933 0.764E-01 0.154E+00 RMM: 3 -0.316724162124E+03 0.16872E-01 -0.14174E-02 5362 0.281E-01 0.304E-01 RMM: 4 -0.316723940904E+03 0.22122E-03 -0.21607E-03 5209 0.106E-01 0.269E-01 RMM: 5 -0.316723702058E+03 0.23885E-03 -0.52832E-04 4546 0.606E-02 0.208E-01 RMM: 6 -0.316723408707E+03 0.29335E-03 -0.17873E-04 3876 0.361E-02 0.502E-02 RMM: 7 -0.316723453496E+03 -0.44788E-04 -0.68209E-05 3457 0.222E-02 0.999E-02 RMM: 8 -0.316723386760E+03 0.66735E-04 -0.35771E-05 3034 0.196E-02 0.255E-02 RMM: 9 -0.316723383612E+03 0.31482E-05 -0.72964E-06 2465 0.771E-03 3731 T= 6353. E= 0.68162179E+03 F= 0.62906457E+03 E0= 0.65705189E+03 EK= 0.52557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315150587433E+03 0.15728E+01 -0.18203E-01 7752 0.238E+01 0.312E-01 RMM: 2 -0.315167400233E+03 -0.16813E-01 -0.10385E-01 4936 0.756E-01 0.111E+00 RMM: 3 -0.315158246953E+03 0.91533E-02 -0.11684E-02 5443 0.238E-01 0.225E-01 RMM: 4 -0.315158556228E+03 -0.30927E-03 -0.16895E-03 5064 0.980E-02 0.333E-01 RMM: 5 -0.315157868170E+03 0.68806E-03 -0.60492E-04 4592 0.666E-02 0.138E-01 RMM: 6 -0.315157785167E+03 0.83002E-04 -0.15799E-04 3876 0.325E-02 0.927E-02 RMM: 7 -0.315157787530E+03 -0.23633E-05 -0.90422E-05 3711 0.278E-02 3732 T= 6469. E= 0.68385909E+03 F= 0.63034621E+03 E0= 0.65832961E+03 EK= 0.53513E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313741108029E+03 0.14167E+01 -0.17766E-01 7860 0.241E+01 0.291E-01 RMM: 2 -0.313753070686E+03 -0.11963E-01 -0.97471E-02 4954 0.750E-01 0.797E-01 RMM: 3 -0.313748570048E+03 0.45006E-02 -0.10877E-02 5661 0.209E-01 0.206E-01 RMM: 4 -0.313748831309E+03 -0.26126E-03 -0.13837E-03 4987 0.938E-02 0.325E-01 RMM: 5 -0.313748161974E+03 0.66934E-03 -0.58804E-04 4589 0.658E-02 0.133E-01 RMM: 6 -0.313748124524E+03 0.37450E-04 -0.19015E-04 3884 0.359E-02 0.116E-01 RMM: 7 -0.313748095833E+03 0.28692E-04 -0.93470E-05 3797 0.294E-02 0.105E-01 RMM: 8 -0.313748020347E+03 0.75485E-04 -0.41144E-05 3182 0.195E-02 0.318E-02 RMM: 9 -0.313748022774E+03 -0.24263E-05 -0.15021E-05 2523 0.111E-02 3733 T= 6603. E= 0.68610870E+03 F= 0.63148242E+03 E0= 0.65946478E+03 EK= 0.54626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312506878203E+03 0.12411E+01 -0.18688E-01 7824 0.243E+01 0.247E-01 RMM: 2 -0.312521963887E+03 -0.15086E-01 -0.10236E-01 4898 0.774E-01 0.966E-01 RMM: 3 -0.312515110913E+03 0.68530E-02 -0.11521E-02 5561 0.221E-01 0.162E-01 RMM: 4 -0.312515219590E+03 -0.10868E-03 -0.11104E-03 4886 0.815E-02 0.252E-01 RMM: 5 -0.312514804442E+03 0.41515E-03 -0.42630E-04 4520 0.570E-02 0.906E-02 RMM: 6 -0.312514817612E+03 -0.13170E-04 -0.15263E-04 3881 0.324E-02 3734 T= 6711. E= 0.68797199E+03 F= 0.63245170E+03 E0= 0.66043753E+03 EK= 0.55520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311455461433E+03 0.10593E+01 -0.19132E-01 7836 0.245E+01 0.346E-01 RMM: 2 -0.311480088981E+03 -0.24628E-01 -0.10675E-01 5071 0.803E-01 0.154E+00 RMM: 3 -0.311463251905E+03 0.16837E-01 -0.13437E-02 5374 0.268E-01 0.265E-01 RMM: 4 -0.311463064632E+03 0.18727E-03 -0.16731E-03 4916 0.917E-02 0.240E-01 RMM: 5 -0.311462825350E+03 0.23928E-03 -0.68718E-04 4600 0.717E-02 0.196E-01 RMM: 6 -0.311462644994E+03 0.18036E-03 -0.30424E-04 3931 0.459E-02 0.117E-01 RMM: 7 -0.311462681825E+03 -0.36831E-04 -0.15166E-04 3875 0.364E-02 0.143E-01 RMM: 8 -0.311462542967E+03 0.13886E-03 -0.74439E-05 3541 0.256E-02 0.387E-02 RMM: 9 -0.311462542522E+03 0.44448E-06 -0.16925E-05 2545 0.121E-02 3735 T= 6752. E= 0.68910249E+03 F= 0.63324812E+03 E0= 0.66124209E+03 EK= 0.55854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310581492074E+03 0.88105E+00 -0.19193E-01 8172 0.246E+01 0.304E-01 RMM: 2 -0.310604789164E+03 -0.23297E-01 -0.10216E-01 5114 0.773E-01 0.147E+00 RMM: 3 -0.310589118047E+03 0.15671E-01 -0.11940E-02 5407 0.251E-01 0.254E-01 RMM: 4 -0.310588810002E+03 0.30805E-03 -0.15008E-03 4865 0.876E-02 0.189E-01 RMM: 5 -0.310588695240E+03 0.11476E-03 -0.43322E-04 4494 0.570E-02 0.167E-01 RMM: 6 -0.310588523149E+03 0.17209E-03 -0.15531E-04 3876 0.333E-02 0.658E-02 RMM: 7 -0.310588562976E+03 -0.39828E-04 -0.74526E-05 3556 0.243E-02 0.105E-01 RMM: 8 -0.310588486672E+03 0.76304E-04 -0.34582E-05 3042 0.189E-02 0.238E-02 RMM: 9 -0.310588485117E+03 0.15553E-05 -0.80928E-06 2471 0.782E-03 3736 T= 6707. E= 0.68935989E+03 F= 0.63387247E+03 E0= 0.66188092E+03 EK= 0.55487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309880703856E+03 0.70778E+00 -0.19273E-01 8016 0.245E+01 0.316E-01 RMM: 2 -0.309902447882E+03 -0.21744E-01 -0.11259E-01 5085 0.810E-01 0.137E+00 RMM: 3 -0.309889174021E+03 0.13274E-01 -0.12901E-02 5548 0.247E-01 0.237E-01 RMM: 4 -0.309888982286E+03 0.19173E-03 -0.14652E-03 4854 0.883E-02 0.226E-01 RMM: 5 -0.309888720956E+03 0.26133E-03 -0.49855E-04 4570 0.606E-02 0.156E-01 RMM: 6 -0.309888617609E+03 0.10335E-03 -0.20473E-04 3891 0.375E-02 0.104E-01 RMM: 7 -0.309888656724E+03 -0.39114E-04 -0.12107E-04 3876 0.309E-02 0.132E-01 RMM: 8 -0.309888538203E+03 0.11852E-03 -0.60047E-05 3405 0.232E-02 0.365E-02 RMM: 9 -0.309888532498E+03 0.57045E-05 -0.11290E-05 2504 0.948E-03 3737 T= 6595. E= 0.68888141E+03 F= 0.63432709E+03 E0= 0.66235534E+03 EK= 0.54554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309349111310E+03 0.53943E+00 -0.19004E-01 8364 0.243E+01 0.263E-01 RMM: 2 -0.309362276511E+03 -0.13165E-01 -0.10667E-01 5113 0.766E-01 0.818E-01 RMM: 3 -0.309357364683E+03 0.49118E-02 -0.10909E-02 5776 0.209E-01 0.175E-01 RMM: 4 -0.309357480340E+03 -0.11566E-03 -0.10240E-03 4765 0.777E-02 0.271E-01 RMM: 5 -0.309356994240E+03 0.48610E-03 -0.36928E-04 4217 0.519E-02 0.111E-01 RMM: 6 -0.309356969642E+03 0.24598E-04 -0.16492E-04 3876 0.345E-02 0.100E-01 RMM: 7 -0.309356959807E+03 0.98359E-05 -0.69818E-05 3505 0.243E-02 3738 T= 6455. E= 0.68801736E+03 F= 0.63461654E+03 E0= 0.66266891E+03 EK= 0.53401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308977171637E+03 0.37980E+00 -0.18715E-01 8448 0.241E+01 0.270E-01 RMM: 2 -0.308989197691E+03 -0.12026E-01 -0.10638E-01 5086 0.751E-01 0.715E-01 RMM: 3 -0.308985450320E+03 0.37474E-02 -0.10761E-02 5982 0.197E-01 0.196E-01 RMM: 4 -0.308985550743E+03 -0.10042E-03 -0.11222E-03 4782 0.846E-02 0.301E-01 RMM: 5 -0.308984949258E+03 0.60149E-03 -0.47182E-04 4446 0.584E-02 0.106E-01 RMM: 6 -0.308984992761E+03 -0.43504E-04 -0.17333E-04 3884 0.339E-02 0.137E-01 RMM: 7 -0.308984914618E+03 0.78143E-04 -0.84091E-05 3702 0.267E-02 0.956E-02 RMM: 8 -0.308984852544E+03 0.62074E-04 -0.34582E-05 3047 0.177E-02 0.272E-02 RMM: 9 -0.308984857339E+03 -0.47950E-05 -0.14875E-05 2506 0.108E-02 3739 T= 6337. E= 0.68717708E+03 F= 0.63474944E+03 E0= 0.66282800E+03 EK= 0.52428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308746032173E+03 0.23882E+00 -0.19633E-01 8124 0.240E+01 0.249E-01 RMM: 2 -0.308760679622E+03 -0.14647E-01 -0.12072E-01 4953 0.807E-01 0.813E-01 RMM: 3 -0.308755762483E+03 0.49171E-02 -0.12998E-02 5943 0.220E-01 0.189E-01 RMM: 4 -0.308755604950E+03 0.15753E-03 -0.10261E-03 4785 0.786E-02 0.217E-01 RMM: 5 -0.308755326971E+03 0.27798E-03 -0.30672E-04 4045 0.471E-02 0.119E-01 RMM: 6 -0.308755246675E+03 0.80296E-04 -0.12264E-04 3861 0.311E-02 0.596E-02 RMM: 7 -0.308755261928E+03 -0.15254E-04 -0.42715E-05 3098 0.191E-02 3740 T= 6278. E= 0.68668323E+03 F= 0.63474326E+03 E0= 0.66284898E+03 EK= 0.51940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308632807933E+03 0.12244E+00 -0.18797E-01 8460 0.240E+01 0.262E-01 RMM: 2 -0.308643096612E+03 -0.10289E-01 -0.10440E-01 5224 0.725E-01 0.522E-01 RMM: 3 -0.308640765053E+03 0.23316E-02 -0.95475E-03 5992 0.189E-01 0.186E-01 RMM: 4 -0.308641008356E+03 -0.24330E-03 -0.83963E-04 4656 0.703E-02 0.317E-01 RMM: 5 -0.308640307477E+03 0.70088E-03 -0.38543E-04 4148 0.521E-02 0.823E-02 RMM: 6 -0.308640393298E+03 -0.85821E-04 -0.17041E-04 3885 0.344E-02 0.144E-01 RMM: 7 -0.308640283333E+03 0.10996E-03 -0.75766E-05 3592 0.255E-02 0.809E-02 RMM: 8 -0.308640238911E+03 0.44422E-04 -0.26701E-05 2818 0.156E-02 0.246E-02 RMM: 9 -0.308640244412E+03 -0.55007E-05 -0.15552E-05 2500 0.112E-02 3741 T= 6293. E= 0.68668869E+03 F= 0.63462697E+03 E0= 0.66275995E+03 EK= 0.52062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308593544703E+03 0.46694E-01 -0.19316E-01 8460 0.241E+01 0.227E-01 RMM: 2 -0.308605729179E+03 -0.12184E-01 -0.11051E-01 5151 0.741E-01 0.647E-01 RMM: 3 -0.308602262379E+03 0.34668E-02 -0.10173E-02 6032 0.191E-01 0.166E-01 RMM: 4 -0.308602248354E+03 0.14025E-04 -0.81893E-04 4683 0.710E-02 0.229E-01 RMM: 5 -0.308601912857E+03 0.33550E-03 -0.27550E-04 3945 0.449E-02 0.107E-01 RMM: 6 -0.308601858106E+03 0.54752E-04 -0.11256E-04 3823 0.299E-02 0.658E-02 RMM: 7 -0.308601864085E+03 -0.59791E-05 -0.43131E-05 3123 0.193E-02 3742 T= 6372. E= 0.68715506E+03 F= 0.63443962E+03 E0= 0.66260023E+03 EK= 0.52715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308590906394E+03 0.10952E-01 -0.19971E-01 8340 0.242E+01 0.258E-01 RMM: 2 -0.308603476026E+03 -0.12570E-01 -0.11934E-01 5185 0.771E-01 0.623E-01 RMM: 3 -0.308600340843E+03 0.31352E-02 -0.11573E-02 6059 0.202E-01 0.181E-01 RMM: 4 -0.308600422929E+03 -0.82086E-04 -0.86096E-04 4684 0.711E-02 0.280E-01 RMM: 5 -0.308599858419E+03 0.56451E-03 -0.35076E-04 4058 0.494E-02 0.834E-02 RMM: 6 -0.308599934960E+03 -0.76541E-04 -0.18124E-04 3886 0.359E-02 0.138E-01 RMM: 7 -0.308599847869E+03 0.87091E-04 -0.77148E-05 3577 0.254E-02 0.914E-02 RMM: 8 -0.308599791166E+03 0.56703E-04 -0.30915E-05 2936 0.168E-02 0.254E-02 RMM: 9 -0.308599794989E+03 -0.38227E-05 -0.14710E-05 2495 0.109E-02 3743 T= 6485. E= 0.68787190E+03 F= 0.63422225E+03 E0= 0.66241067E+03 EK= 0.53650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308587131218E+03 0.12660E-01 -0.21076E-01 8220 0.244E+01 0.205E-01 RMM: 2 -0.308601278001E+03 -0.14147E-01 -0.13726E-01 5025 0.823E-01 0.536E-01 RMM: 3 -0.308598761355E+03 0.25166E-02 -0.14023E-02 6153 0.210E-01 0.151E-01 RMM: 4 -0.308598661590E+03 0.99764E-04 -0.77208E-04 4721 0.695E-02 0.231E-01 RMM: 5 -0.308598299207E+03 0.36238E-03 -0.26121E-04 3963 0.444E-02 0.781E-02 RMM: 6 -0.308598309746E+03 -0.10539E-04 -0.11487E-04 3833 0.295E-02 3744 T= 6589. E= 0.68852304E+03 F= 0.63401070E+03 E0= 0.66222766E+03 EK= 0.54512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308564151909E+03 0.34147E-01 -0.21242E-01 8280 0.244E+01 0.292E-01 RMM: 2 -0.308584029623E+03 -0.19878E-01 -0.13925E-01 5291 0.811E-01 0.108E+00 RMM: 3 -0.308575116437E+03 0.89132E-02 -0.13372E-02 5549 0.234E-01 0.236E-01 RMM: 4 -0.308574941640E+03 0.17480E-03 -0.13244E-03 4798 0.823E-02 0.229E-01 RMM: 5 -0.308574610214E+03 0.33143E-03 -0.40484E-04 4316 0.528E-02 0.128E-01 RMM: 6 -0.308574567014E+03 0.43200E-04 -0.16670E-04 3880 0.339E-02 0.107E-01 RMM: 7 -0.308574593074E+03 -0.26060E-04 -0.10578E-04 3837 0.281E-02 0.127E-01 RMM: 8 -0.308574483997E+03 0.10908E-03 -0.56603E-05 3353 0.226E-02 0.345E-02 RMM: 9 -0.308574481147E+03 0.28507E-05 -0.13541E-05 2508 0.105E-02 3745 T= 6645. E= 0.68879968E+03 F= 0.63382742E+03 E0= 0.66207450E+03 EK= 0.54972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308514130640E+03 0.60353E-01 -0.20948E-01 8364 0.243E+01 0.242E-01 RMM: 2 -0.308530661331E+03 -0.16531E-01 -0.12419E-01 5252 0.767E-01 0.921E-01 RMM: 3 -0.308523926845E+03 0.67345E-02 -0.11066E-02 5708 0.212E-01 0.197E-01 RMM: 4 -0.308523736364E+03 0.19048E-03 -0.10634E-03 4714 0.759E-02 0.189E-01 RMM: 5 -0.308523543408E+03 0.19296E-03 -0.29061E-04 4021 0.468E-02 0.116E-01 RMM: 6 -0.308523470077E+03 0.73330E-04 -0.96574E-05 3710 0.280E-02 0.612E-02 RMM: 7 -0.308523501694E+03 -0.31617E-04 -0.51648E-05 3239 0.202E-02 0.980E-02 RMM: 8 -0.308523437405E+03 0.64290E-04 -0.31087E-05 2902 0.184E-02 0.199E-02 RMM: 9 -0.308523436556E+03 0.84818E-06 -0.80621E-06 2460 0.782E-03 3746 T= 6631. E= 0.68853076E+03 F= 0.63367637E+03 E0= 0.66195557E+03 EK= 0.54854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308445017854E+03 0.78420E-01 -0.22058E-01 8376 0.241E+01 0.271E-01 RMM: 2 -0.308465191353E+03 -0.20173E-01 -0.14111E-01 5243 0.822E-01 0.108E+00 RMM: 3 -0.308456160434E+03 0.90309E-02 -0.13281E-02 5663 0.228E-01 0.204E-01 RMM: 4 -0.308455984358E+03 0.17608E-03 -0.12293E-03 4819 0.816E-02 0.213E-01 RMM: 5 -0.308455730634E+03 0.25372E-03 -0.33385E-04 4045 0.483E-02 0.126E-01 RMM: 6 -0.308455653572E+03 0.77062E-04 -0.11360E-04 3862 0.293E-02 0.766E-02 RMM: 7 -0.308455682922E+03 -0.29349E-04 -0.86538E-05 3686 0.255E-02 0.105E-01 RMM: 8 -0.308455607437E+03 0.75485E-04 -0.43619E-05 3180 0.208E-02 0.273E-02 RMM: 9 -0.308455606077E+03 0.13600E-05 -0.10116E-05 2483 0.896E-03 3747 T= 6554. E= 0.68776357E+03 F= 0.63354622E+03 E0= 0.66185953E+03 EK= 0.54217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308382325205E+03 0.73282E-01 -0.20688E-01 8580 0.238E+01 0.231E-01 RMM: 2 -0.308396195692E+03 -0.13870E-01 -0.12412E-01 5369 0.747E-01 0.672E-01 RMM: 3 -0.308391990114E+03 0.42056E-02 -0.98034E-03 5923 0.193E-01 0.153E-01 RMM: 4 -0.308392062970E+03 -0.72855E-04 -0.82068E-04 4674 0.680E-02 0.240E-01 RMM: 5 -0.308391674989E+03 0.38798E-03 -0.27780E-04 3956 0.447E-02 0.886E-02 RMM: 6 -0.308391664719E+03 0.10270E-04 -0.11049E-04 3810 0.292E-02 3748 T= 6445. E= 0.68673433E+03 F= 0.63341569E+03 E0= 0.66176585E+03 EK= 0.53319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308340494834E+03 0.51180E-01 -0.20243E-01 8724 0.235E+01 0.362E-01 RMM: 2 -0.308373598756E+03 -0.33104E-01 -0.12923E-01 5312 0.784E-01 0.180E+00 RMM: 3 -0.308349919645E+03 0.23679E-01 -0.14933E-02 5397 0.281E-01 0.298E-01 RMM: 4 -0.308349464828E+03 0.45482E-03 -0.19446E-03 4877 0.947E-02 0.192E-01 RMM: 5 -0.308349414027E+03 0.50800E-04 -0.41584E-04 4282 0.514E-02 0.192E-01 RMM: 6 -0.308349182086E+03 0.23194E-03 -0.18030E-04 3888 0.363E-02 0.789E-02 RMM: 7 -0.308349239829E+03 -0.57743E-04 -0.13458E-04 3882 0.309E-02 0.123E-01 RMM: 8 -0.308349136840E+03 0.10299E-03 -0.64959E-05 3429 0.247E-02 0.360E-02 RMM: 9 -0.308349132649E+03 0.41915E-05 -0.13613E-05 2524 0.109E-02 3749 T= 6345. E= 0.68576017E+03 F= 0.63326718E+03 E0= 0.66165482E+03 EK= 0.52493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308326957548E+03 0.22179E-01 -0.20462E-01 8820 0.234E+01 0.319E-01 RMM: 2 -0.308358454890E+03 -0.31497E-01 -0.13781E-01 5167 0.801E-01 0.169E+00 RMM: 3 -0.308337514244E+03 0.20941E-01 -0.14465E-02 5404 0.273E-01 0.290E-01 RMM: 4 -0.308336984026E+03 0.53022E-03 -0.18725E-03 4940 0.946E-02 0.161E-01 RMM: 5 -0.308337004642E+03 -0.20616E-04 -0.35157E-04 4041 0.471E-02 0.180E-01 RMM: 6 -0.308336781919E+03 0.22272E-03 -0.13112E-04 3877 0.324E-02 0.429E-02 RMM: 7 -0.308336823557E+03 -0.41638E-04 -0.65290E-05 3401 0.219E-02 0.924E-02 RMM: 8 -0.308336768839E+03 0.54718E-04 -0.34255E-05 2992 0.194E-02 0.272E-02 RMM: 9 -0.308336765617E+03 0.32214E-05 -0.83413E-06 2469 0.827E-03 3750 T= 6288. E= 0.68511426E+03 F= 0.63309237E+03 E0= 0.66151879E+03 EK= 0.52022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308339949868E+03 -0.31810E-02 -0.20856E-01 8712 0.233E+01 0.268E-01 RMM: 2 -0.308361337561E+03 -0.21388E-01 -0.14366E-01 5260 0.812E-01 0.114E+00 RMM: 3 -0.308351324939E+03 0.10013E-01 -0.12617E-02 5632 0.232E-01 0.218E-01 RMM: 4 -0.308351104651E+03 0.22029E-03 -0.12260E-03 4764 0.792E-02 0.186E-01 RMM: 5 -0.308350928324E+03 0.17633E-03 -0.27336E-04 3906 0.415E-02 0.130E-01 RMM: 6 -0.308350841042E+03 0.87282E-04 -0.11689E-04 3865 0.301E-02 0.722E-02 RMM: 7 -0.308350885559E+03 -0.44517E-04 -0.86462E-05 3677 0.253E-02 0.112E-01 RMM: 8 -0.308350800741E+03 0.84817E-04 -0.44554E-05 3172 0.211E-02 0.291E-02 RMM: 9 -0.308350798551E+03 0.21899E-05 -0.11859E-05 2492 0.987E-03 3751 T= 6292. E= 0.68494477E+03 F= 0.63289582E+03 E0= 0.66136069E+03 EK= 0.52049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308365461577E+03 -0.14661E-01 -0.21929E-01 8952 0.234E+01 0.226E-01 RMM: 2 -0.308383143908E+03 -0.17682E-01 -0.14437E-01 5354 0.798E-01 0.842E-01 RMM: 3 -0.308377034953E+03 0.61090E-02 -0.11412E-02 5963 0.204E-01 0.172E-01 RMM: 4 -0.308376884158E+03 0.15080E-03 -0.89356E-04 4709 0.715E-02 0.196E-01 RMM: 5 -0.308376634389E+03 0.24977E-03 -0.24289E-04 3899 0.410E-02 0.869E-02 RMM: 6 -0.308376625701E+03 0.86879E-05 -0.10631E-04 3798 0.287E-02 3752 T= 6352. E= 0.68524135E+03 F= 0.63269299E+03 E0= 0.66119507E+03 EK= 0.52548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308383933579E+03 -0.72992E-02 -0.23312E-01 8904 0.237E+01 0.350E-01 RMM: 2 -0.308421384693E+03 -0.37451E-01 -0.15754E-01 5265 0.856E-01 0.186E+00 RMM: 3 -0.308395992187E+03 0.25393E-01 -0.16601E-02 5405 0.295E-01 0.281E-01 RMM: 4 -0.308395549413E+03 0.44277E-03 -0.19768E-03 4956 0.916E-02 0.169E-01 RMM: 5 -0.308395452682E+03 0.96732E-04 -0.36226E-04 3973 0.467E-02 0.154E-01 RMM: 6 -0.308395328151E+03 0.12453E-03 -0.16655E-04 3884 0.354E-02 0.876E-02 RMM: 7 -0.308395403023E+03 -0.74873E-04 -0.12796E-04 3884 0.301E-02 0.138E-01 RMM: 8 -0.308395281063E+03 0.12196E-03 -0.71522E-05 3512 0.253E-02 0.460E-02 RMM: 9 -0.308395270909E+03 0.10154E-04 -0.15756E-05 2533 0.118E-02 3753 T= 6448. E= 0.68584400E+03 F= 0.63250350E+03 E0= 0.66103905E+03 EK= 0.53340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308381698052E+03 0.13583E-01 -0.24530E-01 8976 0.240E+01 0.322E-01 RMM: 2 -0.308418612937E+03 -0.36915E-01 -0.17293E-01 5093 0.915E-01 0.177E+00 RMM: 3 -0.308395458672E+03 0.23154E-01 -0.17793E-02 5438 0.300E-01 0.283E-01 RMM: 4 -0.308394948406E+03 0.51027E-03 -0.20501E-03 5089 0.952E-02 0.148E-01 RMM: 5 -0.308394909191E+03 0.39215E-04 -0.30854E-04 3891 0.415E-02 0.150E-01 RMM: 6 -0.308394769069E+03 0.14012E-03 -0.10927E-04 3833 0.291E-02 0.509E-02 RMM: 7 -0.308394813422E+03 -0.44353E-04 -0.65679E-05 3432 0.217E-02 0.984E-02 RMM: 8 -0.308394753273E+03 0.60149E-04 -0.37513E-05 3004 0.196E-02 0.329E-02 RMM: 9 -0.308394748173E+03 0.50999E-05 -0.10212E-05 2480 0.901E-03 3754 T= 6545. E= 0.68648784E+03 F= 0.63233953E+03 E0= 0.66090528E+03 EK= 0.54148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308370754260E+03 0.23999E-01 -0.24832E-01 9000 0.242E+01 0.277E-01 RMM: 2 -0.308395223111E+03 -0.24469E-01 -0.16206E-01 5242 0.881E-01 0.123E+00 RMM: 3 -0.308383941796E+03 0.11281E-01 -0.14790E-02 5660 0.251E-01 0.247E-01 RMM: 4 -0.308383520309E+03 0.42149E-03 -0.13705E-03 4771 0.819E-02 0.162E-01 RMM: 5 -0.308383416284E+03 0.10403E-03 -0.26735E-04 3893 0.403E-02 0.133E-01 RMM: 6 -0.308383315618E+03 0.10067E-03 -0.10548E-04 3793 0.285E-02 0.659E-02 RMM: 7 -0.308383370650E+03 -0.55032E-04 -0.95368E-05 3822 0.261E-02 0.113E-01 RMM: 8 -0.308383285808E+03 0.84842E-04 -0.50473E-05 3259 0.212E-02 0.370E-02 RMM: 9 -0.308383278485E+03 0.73228E-05 -0.13520E-05 2503 0.108E-02 3755 T= 6612. E= 0.68688922E+03 F= 0.63219262E+03 E0= 0.66078408E+03 EK= 0.54697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308390826259E+03 -0.75405E-02 -0.25693E-01 9012 0.244E+01 0.258E-01 RMM: 2 -0.308414071018E+03 -0.23245E-01 -0.16782E-01 5267 0.902E-01 0.111E+00 RMM: 3 -0.308404603896E+03 0.94671E-02 -0.15146E-02 5755 0.244E-01 0.178E-01 RMM: 4 -0.308404460159E+03 0.14374E-03 -0.12139E-03 4768 0.785E-02 0.205E-01 RMM: 5 -0.308404185278E+03 0.27488E-03 -0.24699E-04 3897 0.386E-02 0.913E-02 RMM: 6 -0.308404155287E+03 0.29990E-04 -0.75386E-05 3510 0.240E-02 0.690E-02 RMM: 7 -0.308404186744E+03 -0.31457E-04 -0.69251E-05 3579 0.225E-02 0.102E-01 RMM: 8 -0.308404115272E+03 0.71472E-04 -0.39651E-05 3073 0.193E-02 0.225E-02 RMM: 9 -0.308404116550E+03 -0.12781E-05 -0.11276E-05 2478 0.941E-03 3756 T= 6628. E= 0.68684759E+03 F= 0.63201899E+03 E0= 0.66063141E+03 EK= 0.54829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308521819229E+03 -0.11770E+00 -0.25727E-01 8916 0.244E+01 0.238E-01 RMM: 2 -0.308542039436E+03 -0.20220E-01 -0.17266E-01 5216 0.927E-01 0.840E-01 RMM: 3 -0.308536410400E+03 0.56290E-02 -0.15690E-02 5843 0.242E-01 0.203E-01 RMM: 4 -0.308536159235E+03 0.25117E-03 -0.11151E-03 4813 0.770E-02 0.197E-01 RMM: 5 -0.308535915931E+03 0.24330E-03 -0.22759E-04 3910 0.362E-02 0.103E-01 RMM: 6 -0.308535863665E+03 0.52266E-04 -0.75299E-05 3491 0.246E-02 0.611E-02 RMM: 7 -0.308535906565E+03 -0.42900E-04 -0.70020E-05 3598 0.227E-02 0.104E-01 RMM: 8 -0.308535833358E+03 0.73207E-04 -0.35934E-05 2941 0.183E-02 0.270E-02 RMM: 9 -0.308535832045E+03 0.13136E-05 -0.13293E-05 2485 0.104E-02 3757 T= 6597. E= 0.68631407E+03 F= 0.63173942E+03 E0= 0.66036792E+03 EK= 0.54575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308861568161E+03 -0.32573E+00 -0.23157E-01 8976 0.244E+01 0.264E-01 RMM: 2 -0.308882672391E+03 -0.21104E-01 -0.15081E-01 5251 0.871E-01 0.109E+00 RMM: 3 -0.308873968028E+03 0.87044E-02 -0.14410E-02 5730 0.240E-01 0.196E-01 RMM: 4 -0.308873789540E+03 0.17849E-03 -0.12364E-03 4715 0.792E-02 0.201E-01 RMM: 5 -0.308873537982E+03 0.25156E-03 -0.23584E-04 3907 0.375E-02 0.101E-01 RMM: 6 -0.308873488769E+03 0.49213E-04 -0.62661E-05 3379 0.224E-02 0.633E-02 RMM: 7 -0.308873526438E+03 -0.37669E-04 -0.80162E-05 3674 0.238E-02 0.103E-01 RMM: 8 -0.308873456763E+03 0.69675E-04 -0.47658E-05 3174 0.206E-02 0.288E-02 RMM: 9 -0.308873455034E+03 0.17285E-05 -0.13217E-05 2495 0.106E-02 3758 T= 6542. E= 0.68538167E+03 F= 0.63125834E+03 E0= 0.65989838E+03 EK= 0.54123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309472610312E+03 -0.59915E+00 -0.21076E-01 8580 0.243E+01 0.230E-01 RMM: 2 -0.309489752624E+03 -0.17142E-01 -0.13774E-01 5149 0.838E-01 0.865E-01 RMM: 3 -0.309484189716E+03 0.55629E-02 -0.13905E-02 5845 0.226E-01 0.187E-01 RMM: 4 -0.309483941069E+03 0.24865E-03 -0.98435E-04 4718 0.724E-02 0.177E-01 RMM: 5 -0.309483751737E+03 0.18933E-03 -0.19692E-04 3897 0.347E-02 0.102E-01 RMM: 6 -0.309483699743E+03 0.51993E-04 -0.73893E-05 3476 0.247E-02 0.600E-02 RMM: 7 -0.309483738211E+03 -0.38467E-04 -0.60522E-05 3373 0.216E-02 0.101E-01 RMM: 8 -0.309483671766E+03 0.66445E-04 -0.35241E-05 2912 0.185E-02 0.340E-02 RMM: 9 -0.309483666228E+03 0.55382E-05 -0.13247E-05 2486 0.105E-02 3759 T= 6492. E= 0.68421270E+03 F= 0.63050876E+03 E0= 0.65915560E+03 EK= 0.53704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310353533845E+03 -0.86986E+00 -0.19559E-01 7968 0.244E+01 0.221E-01 RMM: 2 -0.310370373827E+03 -0.16840E-01 -0.11664E-01 5078 0.774E-01 0.101E+00 RMM: 3 -0.310363029090E+03 0.73447E-02 -0.12425E-02 5809 0.216E-01 0.162E-01 RMM: 4 -0.310362805835E+03 0.22326E-03 -0.87035E-04 4707 0.672E-02 0.150E-01 RMM: 5 -0.310362679481E+03 0.12635E-03 -0.17034E-04 3884 0.338E-02 0.944E-02 RMM: 6 -0.310362638743E+03 0.40738E-04 -0.58977E-05 3341 0.217E-02 0.615E-02 RMM: 7 -0.310362652207E+03 -0.13464E-04 -0.56755E-05 3354 0.216E-02 3760 T= 6462. E= 0.68295277E+03 F= 0.62949439E+03 E0= 0.65814306E+03 EK= 0.53458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311415033927E+03 -0.10524E+01 -0.19633E-01 8328 0.245E+01 0.182E-01 RMM: 2 -0.311427090126E+03 -0.12056E-01 -0.10746E-01 4919 0.772E-01 0.637E-01 RMM: 3 -0.311424240910E+03 0.28492E-02 -0.12502E-02 6050 0.203E-01 0.149E-01 RMM: 4 -0.311423951852E+03 0.28906E-03 -0.57114E-04 4665 0.563E-02 0.126E-01 RMM: 5 -0.311423830948E+03 0.12090E-03 -0.14506E-04 3891 0.346E-02 0.718E-02 RMM: 6 -0.311423879584E+03 -0.48636E-04 -0.99481E-05 3719 0.268E-02 0.115E-01 RMM: 7 -0.311423815526E+03 0.64059E-04 -0.58568E-05 3350 0.230E-02 0.747E-02 RMM: 8 -0.311423780273E+03 0.35252E-04 -0.23532E-05 2615 0.149E-02 0.261E-02 RMM: 9 -0.311423782291E+03 -0.20175E-05 -0.14176E-05 2486 0.107E-02 3761 T= 6453. E= 0.68168613E+03 F= 0.62830191E+03 E0= 0.65694696E+03 EK= 0.53384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312512367692E+03 -0.10886E+01 -0.21946E-01 7824 0.247E+01 0.202E-01 RMM: 2 -0.312529620843E+03 -0.17253E-01 -0.14056E-01 4837 0.894E-01 0.849E-01 RMM: 3 -0.312524486413E+03 0.51344E-02 -0.16506E-02 5986 0.237E-01 0.179E-01 RMM: 4 -0.312524032864E+03 0.45355E-03 -0.82661E-04 4788 0.675E-02 0.118E-01 RMM: 5 -0.312523944935E+03 0.87929E-04 -0.16087E-04 3896 0.360E-02 0.815E-02 RMM: 6 -0.312523925339E+03 0.19596E-04 -0.67379E-05 3427 0.231E-02 3762 T= 6451. E= 0.68044083E+03 F= 0.62707459E+03 E0= 0.65570843E+03 EK= 0.53366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313501150020E+03 -0.97721E+00 -0.21298E-01 8664 0.248E+01 0.299E-01 RMM: 2 -0.313529197961E+03 -0.28048E-01 -0.11458E-01 5238 0.784E-01 0.166E+00 RMM: 3 -0.313509941769E+03 0.19256E-01 -0.13489E-02 5405 0.266E-01 0.276E-01 RMM: 4 -0.313509441126E+03 0.50064E-03 -0.14418E-03 4886 0.736E-02 0.120E-01 RMM: 5 -0.313509365062E+03 0.76064E-04 -0.20879E-04 3897 0.411E-02 0.113E-01 RMM: 6 -0.313509314716E+03 0.50346E-04 -0.11255E-04 3867 0.287E-02 0.934E-02 RMM: 7 -0.313509396755E+03 -0.82039E-04 -0.13953E-04 3887 0.321E-02 0.148E-01 RMM: 8 -0.313509254289E+03 0.14247E-03 -0.79623E-05 3573 0.260E-02 0.437E-02 RMM: 9 -0.313509249286E+03 0.50034E-05 -0.21683E-05 2598 0.135E-02 3763 T= 6438. E= 0.67922730E+03 F= 0.62596637E+03 E0= 0.65458277E+03 EK= 0.53261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314246481562E+03 -0.73723E+00 -0.21694E-01 8880 0.249E+01 0.265E-01 RMM: 2 -0.314270369708E+03 -0.23888E-01 -0.11123E-01 5265 0.765E-01 0.146E+00 RMM: 3 -0.314255178305E+03 0.15191E-01 -0.12170E-02 5448 0.245E-01 0.244E-01 RMM: 4 -0.314254777869E+03 0.40044E-03 -0.13578E-03 4731 0.785E-02 0.126E-01 RMM: 5 -0.314254699205E+03 0.78664E-04 -0.21655E-04 3880 0.387E-02 0.109E-01 RMM: 6 -0.314254627344E+03 0.71861E-04 -0.63900E-05 3427 0.234E-02 0.528E-02 RMM: 7 -0.314254630089E+03 -0.27450E-05 -0.47409E-05 3066 0.197E-02 3764 T= 6405. E= 0.67808607E+03 F= 0.62510258E+03 E0= 0.65369259E+03 EK= 0.52983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314672269694E+03 -0.41764E+00 -0.21471E-01 8772 0.248E+01 0.216E-01 RMM: 2 -0.314688027197E+03 -0.15758E-01 -0.99614E-02 5391 0.704E-01 0.104E+00 RMM: 3 -0.314680074770E+03 0.79524E-02 -0.90841E-03 5683 0.197E-01 0.207E-01 RMM: 4 -0.314679750705E+03 0.32406E-03 -0.73012E-04 4726 0.569E-02 0.105E-01 RMM: 5 -0.314679666777E+03 0.83928E-04 -0.13885E-04 3887 0.324E-02 0.906E-02 RMM: 6 -0.314679671895E+03 -0.51178E-05 -0.74966E-05 3536 0.231E-02 3765 T= 6353. E= 0.67711718E+03 F= 0.62456389E+03 E0= 0.65311814E+03 EK= 0.52553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314746687327E+03 -0.67021E-01 -0.21172E-01 8772 0.247E+01 0.323E-01 RMM: 2 -0.314774611337E+03 -0.27924E-01 -0.97333E-02 5258 0.698E-01 0.175E+00 RMM: 3 -0.314753662964E+03 0.20948E-01 -0.13278E-02 5362 0.273E-01 0.281E-01 RMM: 4 -0.314753131748E+03 0.53122E-03 -0.14816E-03 4822 0.736E-02 0.114E-01 RMM: 5 -0.314753074946E+03 0.56802E-04 -0.17398E-04 3886 0.346E-02 0.106E-01 RMM: 6 -0.314753009764E+03 0.65181E-04 -0.72473E-05 3520 0.245E-02 0.616E-02 RMM: 7 -0.314753067579E+03 -0.57815E-04 -0.65902E-05 3489 0.224E-02 0.115E-01 RMM: 8 -0.314752977713E+03 0.89866E-04 -0.48303E-05 3141 0.204E-02 0.403E-02 RMM: 9 -0.314752970164E+03 0.75486E-05 -0.17539E-05 2523 0.121E-02 3766 T= 6296. E= 0.67646676E+03 F= 0.62438209E+03 E0= 0.65289362E+03 EK= 0.52085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314477718991E+03 0.27526E+00 -0.21751E-01 8304 0.245E+01 0.356E-01 RMM: 2 -0.314509426488E+03 -0.31707E-01 -0.11524E-01 5027 0.791E-01 0.186E+00 RMM: 3 -0.314486166914E+03 0.23260E-01 -0.16978E-02 5383 0.308E-01 0.329E-01 RMM: 4 -0.314485447476E+03 0.71944E-03 -0.18746E-03 4887 0.875E-02 0.123E-01 RMM: 5 -0.314485452180E+03 -0.47036E-05 -0.26609E-04 3887 0.408E-02 0.144E-01 RMM: 6 -0.314485311426E+03 0.14075E-03 -0.93524E-05 3665 0.279E-02 0.420E-02 RMM: 7 -0.314485327184E+03 -0.15758E-04 -0.29929E-05 2718 0.161E-02 3767 T= 6254. E= 0.67628579E+03 F= 0.62454693E+03 E0= 0.65300718E+03 EK= 0.51739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313904749130E+03 0.58056E+00 -0.21575E-01 8064 0.243E+01 0.207E-01 RMM: 2 -0.313918355467E+03 -0.13606E-01 -0.10148E-01 5088 0.717E-01 0.851E-01 RMM: 3 -0.313912958929E+03 0.53965E-02 -0.10356E-02 5702 0.206E-01 0.169E-01 RMM: 4 -0.313912788273E+03 0.17066E-03 -0.78231E-04 4681 0.618E-02 0.157E-01 RMM: 5 -0.313912637114E+03 0.15116E-03 -0.15290E-04 3882 0.325E-02 0.864E-02 RMM: 6 -0.313912603497E+03 0.33618E-04 -0.61175E-05 3375 0.222E-02 0.631E-02 RMM: 7 -0.313912644016E+03 -0.40519E-04 -0.72555E-05 3650 0.220E-02 0.107E-01 RMM: 8 -0.313912568192E+03 0.75824E-04 -0.41685E-05 3060 0.192E-02 0.281E-02 RMM: 9 -0.313912566060E+03 0.21317E-05 -0.12721E-05 2478 0.104E-02 3768 T= 6245. E= 0.67668347E+03 F= 0.62502319E+03 E0= 0.65342517E+03 EK= 0.51660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313073116973E+03 0.83945E+00 -0.21433E-01 8064 0.242E+01 0.211E-01 RMM: 2 -0.313087802508E+03 -0.14686E-01 -0.11412E-01 4868 0.792E-01 0.858E-01 RMM: 3 -0.313082508336E+03 0.52942E-02 -0.12706E-02 5918 0.217E-01 0.133E-01 RMM: 4 -0.313082389152E+03 0.11918E-03 -0.80334E-04 4691 0.671E-02 0.185E-01 RMM: 5 -0.313082178034E+03 0.21112E-03 -0.16565E-04 3876 0.350E-02 0.768E-02 RMM: 6 -0.313082140740E+03 0.37294E-04 -0.42979E-05 3096 0.196E-02 0.349E-02 RMM: 7 -0.313082150486E+03 -0.97462E-05 -0.24356E-05 2569 0.148E-02 3769 T= 6276. E= 0.67768628E+03 F= 0.62576396E+03 E0= 0.65410290E+03 EK= 0.51922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312034064396E+03 0.10481E+01 -0.20269E-01 7884 0.242E+01 0.174E-01 RMM: 2 -0.312045182977E+03 -0.11119E-01 -0.95387E-02 5033 0.728E-01 0.658E-01 RMM: 3 -0.312042015110E+03 0.31679E-02 -0.10289E-02 6029 0.188E-01 0.134E-01 RMM: 4 -0.312041804063E+03 0.21105E-03 -0.54455E-04 4569 0.565E-02 0.130E-01 RMM: 5 -0.312041685742E+03 0.11832E-03 -0.10792E-04 3732 0.292E-02 0.582E-02 RMM: 6 -0.312041688150E+03 -0.24083E-05 -0.41014E-05 3036 0.187E-02 3770 T= 6345. E= 0.67921607E+03 F= 0.62672206E+03 E0= 0.65499460E+03 EK= 0.52494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310824557197E+03 0.12171E+01 -0.19552E-01 7980 0.242E+01 0.261E-01 RMM: 2 -0.310845730451E+03 -0.21173E-01 -0.88917E-02 5016 0.716E-01 0.143E+00 RMM: 3 -0.310831537711E+03 0.14193E-01 -0.11272E-02 5402 0.245E-01 0.250E-01 RMM: 4 -0.310831143948E+03 0.39376E-03 -0.11783E-03 4691 0.714E-02 0.105E-01 RMM: 5 -0.310831096314E+03 0.47634E-04 -0.16499E-04 3881 0.329E-02 0.922E-02 RMM: 6 -0.310831043025E+03 0.53289E-04 -0.48350E-05 3174 0.208E-02 0.457E-02 RMM: 7 -0.310831061122E+03 -0.18097E-04 -0.36261E-05 2858 0.182E-02 3771 T= 6435. E= 0.68109432E+03 F= 0.62785777E+03 E0= 0.65606248E+03 EK= 0.53237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309480065851E+03 0.13510E+01 -0.19451E-01 8052 0.242E+01 0.269E-01 RMM: 2 -0.309502891616E+03 -0.22826E-01 -0.95028E-02 5056 0.757E-01 0.150E+00 RMM: 3 -0.309487499103E+03 0.15393E-01 -0.11757E-02 5421 0.248E-01 0.265E-01 RMM: 4 -0.309486988199E+03 0.51090E-03 -0.12928E-03 4752 0.777E-02 0.987E-02 RMM: 5 -0.309486965516E+03 0.22683E-04 -0.17748E-04 3884 0.331E-02 0.104E-01 RMM: 6 -0.309486896798E+03 0.68718E-04 -0.49622E-05 3200 0.213E-02 0.391E-02 RMM: 7 -0.309486910157E+03 -0.13359E-04 -0.28759E-05 2686 0.157E-02 3772 T= 6520. E= 0.68307550E+03 F= 0.62913439E+03 E0= 0.65727214E+03 EK= 0.53941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308042376039E+03 0.14445E+01 -0.19936E-01 8016 0.242E+01 0.230E-01 RMM: 2 -0.308059630575E+03 -0.17255E-01 -0.11089E-01 4912 0.808E-01 0.108E+00 RMM: 3 -0.308051483331E+03 0.81472E-02 -0.12795E-02 5556 0.241E-01 0.193E-01 RMM: 4 -0.308051183832E+03 0.29950E-03 -0.93782E-04 4805 0.647E-02 0.984E-02 RMM: 5 -0.308051138945E+03 0.44887E-04 -0.13315E-04 3866 0.307E-02 0.874E-02 RMM: 6 -0.308051092421E+03 0.46524E-04 -0.43447E-05 3074 0.196E-02 0.456E-02 RMM: 7 -0.308051112000E+03 -0.19580E-04 -0.35793E-05 2798 0.174E-02 3773 T= 6576. E= 0.68490863E+03 F= 0.63050980E+03 E0= 0.65858298E+03 EK= 0.54399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306567987275E+03 0.14831E+01 -0.19304E-01 8280 0.242E+01 0.189E-01 RMM: 2 -0.306580868572E+03 -0.12881E-01 -0.10293E-01 5040 0.770E-01 0.770E-01 RMM: 3 -0.306576631016E+03 0.42376E-02 -0.11285E-02 5824 0.208E-01 0.155E-01 RMM: 4 -0.306576377142E+03 0.25387E-03 -0.66994E-04 4725 0.586E-02 0.121E-01 RMM: 5 -0.306576285708E+03 0.91434E-04 -0.11526E-04 3824 0.301E-02 0.701E-02 RMM: 6 -0.306576261494E+03 0.24214E-04 -0.33118E-05 2869 0.175E-02 0.497E-02 RMM: 7 -0.306576268752E+03 -0.72581E-05 -0.35648E-05 2693 0.176E-02 3774 T= 6586. E= 0.68641888E+03 F= 0.63193106E+03 E0= 0.65994342E+03 EK= 0.54488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305119460575E+03 0.14568E+01 -0.19647E-01 8088 0.240E+01 0.181E-01 RMM: 2 -0.305133149353E+03 -0.13689E-01 -0.11574E-01 4919 0.816E-01 0.726E-01 RMM: 3 -0.305129343434E+03 0.38059E-02 -0.13012E-02 5907 0.219E-01 0.145E-01 RMM: 4 -0.305129069816E+03 0.27362E-03 -0.65108E-04 4782 0.592E-02 0.113E-01 RMM: 5 -0.305128991459E+03 0.78357E-04 -0.10052E-04 3686 0.274E-02 0.763E-02 RMM: 6 -0.305128961054E+03 0.30405E-04 -0.32741E-05 2819 0.176E-02 0.474E-02 RMM: 7 -0.305128961014E+03 0.39790E-07 -0.40414E-05 2783 0.178E-02 3775 T= 6556. E= 0.68756296E+03 F= 0.63333127E+03 E0= 0.66128710E+03 EK= 0.54232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303771281701E+03 0.13577E+01 -0.19289E-01 8172 0.239E+01 0.179E-01 RMM: 2 -0.303786550011E+03 -0.15268E-01 -0.12167E-01 4930 0.828E-01 0.799E-01 RMM: 3 -0.303781851216E+03 0.46988E-02 -0.13649E-02 5896 0.219E-01 0.158E-01 RMM: 4 -0.303781530613E+03 0.32060E-03 -0.68553E-04 4743 0.617E-02 0.105E-01 RMM: 5 -0.303781460018E+03 0.70595E-04 -0.10404E-04 3677 0.280E-02 0.670E-02 RMM: 6 -0.303781439896E+03 0.20122E-04 -0.28722E-05 2688 0.163E-02 0.464E-02 RMM: 7 -0.303781446663E+03 -0.67673E-05 -0.30544E-05 2634 0.159E-02 3776 T= 6502. E= 0.68842608E+03 F= 0.63463794E+03 E0= 0.66254275E+03 EK= 0.53788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302592670187E+03 0.11888E+01 -0.19230E-01 8328 0.237E+01 0.161E-01 RMM: 2 -0.302605932016E+03 -0.13262E-01 -0.11991E-01 5038 0.804E-01 0.602E-01 RMM: 3 -0.302602860908E+03 0.30711E-02 -0.12185E-02 5984 0.205E-01 0.131E-01 RMM: 4 -0.302602628166E+03 0.23274E-03 -0.56780E-04 4656 0.564E-02 0.107E-01 RMM: 5 -0.302602553238E+03 0.74927E-04 -0.85925E-05 3554 0.260E-02 0.673E-02 RMM: 6 -0.302602530551E+03 0.22687E-04 -0.27396E-05 2626 0.163E-02 0.411E-02 RMM: 7 -0.302602531894E+03 -0.13425E-05 -0.34961E-05 2680 0.170E-02 3777 T= 6453. E= 0.68916203E+03 F= 0.63578211E+03 E0= 0.66364238E+03 EK= 0.53380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301636352250E+03 0.96618E+00 -0.18289E-01 8364 0.236E+01 0.165E-01 RMM: 2 -0.301650104397E+03 -0.13752E-01 -0.11762E-01 4957 0.800E-01 0.679E-01 RMM: 3 -0.301646562416E+03 0.35420E-02 -0.12910E-02 6075 0.209E-01 0.153E-01 RMM: 4 -0.301646245325E+03 0.31709E-03 -0.58646E-04 4621 0.583E-02 0.101E-01 RMM: 5 -0.301646173736E+03 0.71590E-04 -0.93593E-05 3576 0.278E-02 0.578E-02 RMM: 6 -0.301646159563E+03 0.14173E-04 -0.25079E-05 2581 0.150E-02 3778 T= 6431. E= 0.68991358E+03 F= 0.63670976E+03 E0= 0.66453248E+03 EK= 0.53204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300936897182E+03 0.70928E+00 -0.18324E-01 7980 0.237E+01 0.212E-01 RMM: 2 -0.300956234961E+03 -0.19338E-01 -0.12149E-01 5032 0.804E-01 0.111E+00 RMM: 3 -0.300947066292E+03 0.91687E-02 -0.13126E-02 5579 0.236E-01 0.213E-01 RMM: 4 -0.300946651902E+03 0.41439E-03 -0.91907E-04 4826 0.642E-02 0.779E-02 RMM: 5 -0.300946618641E+03 0.33261E-04 -0.11379E-04 3867 0.272E-02 0.691E-02 RMM: 6 -0.300946595735E+03 0.22906E-04 -0.26863E-05 2632 0.155E-02 0.538E-02 RMM: 7 -0.300946608882E+03 -0.13147E-04 -0.34457E-05 2834 0.175E-02 3779 T= 6450. E= 0.69074395E+03 F= 0.63738653E+03 E0= 0.66517992E+03 EK= 0.53357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300505218962E+03 0.44138E+00 -0.17761E-01 8496 0.238E+01 0.250E-01 RMM: 2 -0.300524666992E+03 -0.19448E-01 -0.10534E-01 5060 0.772E-01 0.124E+00 RMM: 3 -0.300513660825E+03 0.11006E-01 -0.11888E-02 5479 0.239E-01 0.228E-01 RMM: 4 -0.300513285049E+03 0.37578E-03 -0.11171E-03 4703 0.725E-02 0.101E-01 RMM: 5 -0.300513266056E+03 0.18993E-04 -0.15816E-04 3881 0.318E-02 3780 T= 6504. E= 0.69160524E+03 F= 0.63780294E+03 E0= 0.66557597E+03 EK= 0.53802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300318986262E+03 0.19430E+00 -0.18090E-01 8232 0.241E+01 0.176E-01 RMM: 2 -0.300334129934E+03 -0.15144E-01 -0.10506E-01 5249 0.741E-01 0.917E-01 RMM: 3 -0.300327790313E+03 0.63396E-02 -0.99231E-03 5708 0.200E-01 0.167E-01 RMM: 4 -0.300327518332E+03 0.27198E-03 -0.58992E-04 4766 0.506E-02 0.864E-02 RMM: 5 -0.300327464921E+03 0.53411E-04 -0.72004E-05 3519 0.236E-02 0.708E-02 RMM: 6 -0.300327450202E+03 0.14718E-04 -0.30918E-05 2728 0.164E-02 3781 T= 6572. E= 0.69234555E+03 F= 0.63797754E+03 E0= 0.66573915E+03 EK= 0.54368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300342790349E+03 -0.15325E-01 -0.18751E-01 7956 0.243E+01 0.283E-01 RMM: 2 -0.300373130028E+03 -0.30340E-01 -0.11020E-01 4951 0.786E-01 0.172E+00 RMM: 3 -0.300351514549E+03 0.21615E-01 -0.14922E-02 5392 0.286E-01 0.224E-01 RMM: 4 -0.300351181500E+03 0.33305E-03 -0.15382E-03 5044 0.757E-02 0.911E-02 RMM: 5 -0.300351141559E+03 0.39941E-04 -0.14685E-04 3895 0.308E-02 0.774E-02 RMM: 6 -0.300351103277E+03 0.38281E-04 -0.28797E-05 2772 0.163E-02 0.366E-02 RMM: 7 -0.300351106002E+03 -0.27247E-05 -0.16842E-05 2515 0.131E-02 3782 T= 6626. E= 0.69276224E+03 F= 0.63794826E+03 E0= 0.66570698E+03 EK= 0.54814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300525124313E+03 -0.17402E+00 -0.18895E-01 8220 0.245E+01 0.348E-01 RMM: 2 -0.300562427120E+03 -0.37303E-01 -0.12155E-01 5035 0.857E-01 0.199E+00 RMM: 3 -0.300534062811E+03 0.28364E-01 -0.17056E-02 5387 0.314E-01 0.279E-01 RMM: 4 -0.300533496523E+03 0.56629E-03 -0.18799E-03 4988 0.887E-02 0.108E-01 RMM: 5 -0.300533462712E+03 0.33811E-04 -0.22606E-04 3886 0.363E-02 0.109E-01 RMM: 6 -0.300533381199E+03 0.81513E-04 -0.58418E-05 3301 0.225E-02 0.414E-02 RMM: 7 -0.300533377888E+03 0.33111E-05 -0.18490E-05 2530 0.128E-02 3783 T= 6640. E= 0.69269277E+03 F= 0.63776588E+03 E0= 0.66552859E+03 EK= 0.54927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.300814078932E+03 -0.28070E+00 -0.18805E-01 7800 0.246E+01 0.180E-01 RMM: 2 -0.300828949153E+03 -0.14870E-01 -0.10512E-01 4998 0.762E-01 0.894E-01 RMM: 3 -0.300822998267E+03 0.59509E-02 -0.11062E-02 5671 0.213E-01 0.173E-01 RMM: 4 -0.300822725000E+03 0.27327E-03 -0.69438E-04 4747 0.577E-02 0.859E-02 RMM: 5 -0.300822677388E+03 0.47612E-04 -0.93539E-05 3686 0.260E-02 0.661E-02 RMM: 6 -0.300822654306E+03 0.23082E-04 -0.25337E-05 2585 0.153E-02 0.448E-02 RMM: 7 -0.300822657336E+03 -0.30300E-05 -0.31541E-05 2654 0.165E-02 3784 T= 6602. E= 0.69209716E+03 F= 0.63748197E+03 E0= 0.66525504E+03 EK= 0.54615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301174007529E+03 -0.35135E+00 -0.19121E-01 7932 0.246E+01 0.190E-01 RMM: 2 -0.301187751842E+03 -0.13744E-01 -0.11288E-01 4921 0.802E-01 0.758E-01 RMM: 3 -0.301183527678E+03 0.42242E-02 -0.12512E-02 5919 0.214E-01 0.153E-01 RMM: 4 -0.301183274703E+03 0.25298E-03 -0.70144E-04 4713 0.625E-02 0.128E-01 RMM: 5 -0.301183170137E+03 0.10457E-03 -0.11841E-04 3755 0.296E-02 0.654E-02 RMM: 6 -0.301183144212E+03 0.25925E-04 -0.27501E-05 2723 0.162E-02 0.320E-02 RMM: 7 -0.301183144183E+03 0.29686E-07 -0.17310E-05 2501 0.130E-02 3785 T= 6523. E= 0.69109469E+03 F= 0.63713242E+03 E0= 0.66492025E+03 EK= 0.53962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301590973904E+03 -0.40783E+00 -0.19222E-01 7740 0.245E+01 0.162E-01 RMM: 2 -0.301604907355E+03 -0.13933E-01 -0.12212E-01 4881 0.823E-01 0.655E-01 RMM: 3 -0.301601646467E+03 0.32609E-02 -0.13666E-02 6090 0.211E-01 0.138E-01 RMM: 4 -0.301601333440E+03 0.31303E-03 -0.59121E-04 4627 0.595E-02 0.105E-01 RMM: 5 -0.301601249281E+03 0.84159E-04 -0.89122E-05 3555 0.270E-02 0.598E-02 RMM: 6 -0.301601233969E+03 0.15312E-04 -0.26424E-05 2569 0.153E-02 3786 T= 6430. E= 0.68992504E+03 F= 0.63673096E+03 E0= 0.66453852E+03 EK= 0.53194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302077199182E+03 -0.47595E+00 -0.19506E-01 7704 0.243E+01 0.206E-01 RMM: 2 -0.302096696789E+03 -0.19498E-01 -0.13008E-01 4827 0.853E-01 0.105E+00 RMM: 3 -0.302088465346E+03 0.82314E-02 -0.15058E-02 5640 0.246E-01 0.190E-01 RMM: 4 -0.302088109781E+03 0.35556E-03 -0.94809E-04 4846 0.657E-02 0.836E-02 RMM: 5 -0.302088064285E+03 0.45496E-04 -0.12250E-04 4068 0.276E-02 0.680E-02 RMM: 6 -0.302088040305E+03 0.23980E-04 -0.26816E-05 2630 0.154E-02 0.476E-02 RMM: 7 -0.302088049395E+03 -0.90901E-05 -0.32587E-05 2752 0.172E-02 3787 T= 6357. E= 0.68885405E+03 F= 0.63626659E+03 E0= 0.66409843E+03 EK= 0.52587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302663694076E+03 -0.57565E+00 -0.18825E-01 7692 0.242E+01 0.242E-01 RMM: 2 -0.302682189724E+03 -0.18496E-01 -0.11287E-01 4842 0.820E-01 0.113E+00 RMM: 3 -0.302673064657E+03 0.91251E-02 -0.13630E-02 5600 0.243E-01 0.226E-01 RMM: 4 -0.302672668052E+03 0.39660E-03 -0.11677E-03 4778 0.767E-02 0.120E-01 RMM: 5 -0.302672612192E+03 0.55860E-04 -0.17205E-04 3882 0.327E-02 0.912E-02 RMM: 6 -0.302672555877E+03 0.56316E-04 -0.37732E-05 3006 0.185E-02 0.317E-02 RMM: 7 -0.302672556639E+03 -0.76234E-06 -0.16892E-05 2505 0.125E-02 3788 T= 6330. E= 0.68808055E+03 F= 0.63571042E+03 E0= 0.66357060E+03 EK= 0.52370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303380984489E+03 -0.70843E+00 -0.19471E-01 7752 0.241E+01 0.200E-01 RMM: 2 -0.303398704268E+03 -0.17720E-01 -0.12891E-01 4782 0.854E-01 0.942E-01 RMM: 3 -0.303392123727E+03 0.65805E-02 -0.14972E-02 5731 0.241E-01 0.175E-01 RMM: 4 -0.303391776506E+03 0.34722E-03 -0.85265E-04 4972 0.629E-02 0.907E-02 RMM: 5 -0.303391730134E+03 0.46371E-04 -0.12018E-04 3845 0.291E-02 0.747E-02 RMM: 6 -0.303391695231E+03 0.34903E-04 -0.33712E-05 2871 0.173E-02 0.425E-02 RMM: 7 -0.303391704877E+03 -0.96459E-05 -0.33990E-05 2684 0.171E-02 3789 T= 6364. E= 0.68766905E+03 F= 0.63502549E+03 E0= 0.66292013E+03 EK= 0.52644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304269264129E+03 -0.87757E+00 -0.17997E-01 7980 0.241E+01 0.198E-01 RMM: 2 -0.304282627406E+03 -0.13363E-01 -0.95008E-02 4888 0.744E-01 0.864E-01 RMM: 3 -0.304277344087E+03 0.52833E-02 -0.11232E-02 5655 0.214E-01 0.195E-01 RMM: 4 -0.304277023185E+03 0.32090E-03 -0.76816E-04 4699 0.614E-02 0.905E-02 RMM: 5 -0.304276999837E+03 0.23348E-04 -0.12369E-04 3765 0.296E-02 0.835E-02 RMM: 6 -0.304276952857E+03 0.46980E-04 -0.35770E-05 2963 0.181E-02 0.357E-02 RMM: 7 -0.304276960855E+03 -0.79981E-05 -0.23261E-05 2534 0.149E-02 3790 T= 6448. E= 0.68752635E+03 F= 0.63418023E+03 E0= 0.66211374E+03 EK= 0.53346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305335700528E+03 -0.10587E+01 -0.18486E-01 7884 0.241E+01 0.182E-01 RMM: 2 -0.305350369863E+03 -0.14669E-01 -0.11198E-01 4812 0.798E-01 0.825E-01 RMM: 3 -0.305345469743E+03 0.49001E-02 -0.13072E-02 5757 0.218E-01 0.171E-01 RMM: 4 -0.305345175268E+03 0.29447E-03 -0.75542E-04 4802 0.617E-02 0.102E-01 RMM: 5 -0.305345128942E+03 0.46326E-04 -0.12418E-04 3766 0.290E-02 0.813E-02 RMM: 6 -0.305345086053E+03 0.42889E-04 -0.38262E-05 2997 0.185E-02 0.347E-02 RMM: 7 -0.305345095060E+03 -0.90073E-05 -0.27266E-05 2572 0.158E-02 3791 T= 6559. E= 0.68741443E+03 F= 0.63315779E+03 E0= 0.66113694E+03 EK= 0.54257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306578599079E+03 -0.12335E+01 -0.19911E-01 7716 0.242E+01 0.202E-01 RMM: 2 -0.306596671241E+03 -0.18072E-01 -0.13799E-01 4728 0.896E-01 0.902E-01 RMM: 3 -0.306590700591E+03 0.59707E-02 -0.16232E-02 5779 0.242E-01 0.199E-01 RMM: 4 -0.306590248256E+03 0.45233E-03 -0.94168E-04 4844 0.695E-02 0.940E-02 RMM: 5 -0.306590237270E+03 0.10986E-04 -0.15366E-04 3863 0.315E-02 3792 T= 6654. E= 0.68701467E+03 F= 0.63196406E+03 E0= 0.65999445E+03 EK= 0.55051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307968643144E+03 -0.13784E+01 -0.18851E-01 7620 0.242E+01 0.146E-01 RMM: 2 -0.307983373650E+03 -0.14731E-01 -0.13955E-01 4830 0.858E-01 0.488E-01 RMM: 3 -0.307981128177E+03 0.22455E-02 -0.14685E-02 6123 0.207E-01 0.110E-01 RMM: 4 -0.307980955413E+03 0.17276E-03 -0.78486E-04 4546 0.709E-02 0.137E-01 RMM: 5 -0.307980835460E+03 0.11995E-03 -0.12261E-04 3803 0.316E-02 0.691E-02 RMM: 6 -0.307980828552E+03 0.69080E-05 -0.55420E-05 3250 0.206E-02 3793 T= 6698. E= 0.68604071E+03 F= 0.63063077E+03 E0= 0.65871703E+03 EK= 0.55410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309457410444E+03 -0.14766E+01 -0.19345E-01 7680 0.241E+01 0.287E-01 RMM: 2 -0.309482994602E+03 -0.25584E-01 -0.13762E-01 4771 0.875E-01 0.141E+00 RMM: 3 -0.309468554715E+03 0.14440E-01 -0.17267E-02 5450 0.284E-01 0.213E-01 RMM: 4 -0.309468257966E+03 0.29675E-03 -0.15971E-03 4957 0.813E-02 0.130E-01 RMM: 5 -0.309468244328E+03 0.13638E-04 -0.23625E-04 4006 0.340E-02 0.126E-01 RMM: 6 -0.309468136866E+03 0.10746E-03 -0.66856E-05 3410 0.235E-02 0.353E-02 RMM: 7 -0.309468134324E+03 0.25419E-05 -0.15806E-05 2511 0.121E-02 3794 T= 6668. E= 0.68436758E+03 F= 0.62920702E+03 E0= 0.65735226E+03 EK= 0.55161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310986653270E+03 -0.15185E+01 -0.18514E-01 7848 0.239E+01 0.312E-01 RMM: 2 -0.311014257872E+03 -0.27605E-01 -0.10846E-01 4879 0.799E-01 0.166E+00 RMM: 3 -0.310995234436E+03 0.19023E-01 -0.15678E-02 5400 0.289E-01 0.273E-01 RMM: 4 -0.310994735216E+03 0.49922E-03 -0.16214E-03 4855 0.815E-02 0.126E-01 RMM: 5 -0.310994715966E+03 0.19250E-04 -0.23861E-04 3897 0.395E-02 0.124E-01 RMM: 6 -0.310994603223E+03 0.11274E-03 -0.72870E-05 3467 0.241E-02 0.425E-02 RMM: 7 -0.310994605449E+03 -0.22261E-05 -0.25980E-05 2592 0.153E-02 3795 T= 6571. E= 0.68210974E+03 F= 0.62775085E+03 E0= 0.65595518E+03 EK= 0.54359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312500034178E+03 -0.15054E+01 -0.18724E-01 8064 0.237E+01 0.257E-01 RMM: 2 -0.312518040052E+03 -0.18006E-01 -0.95127E-02 4851 0.746E-01 0.122E+00 RMM: 3 -0.312507650013E+03 0.10390E-01 -0.12295E-02 5450 0.248E-01 0.220E-01 RMM: 4 -0.312507333421E+03 0.31659E-03 -0.11594E-03 4729 0.711E-02 0.117E-01 RMM: 5 -0.312507335031E+03 -0.16103E-05 -0.19830E-04 3885 0.359E-02 3796 T= 6439. E= 0.67958038E+03 F= 0.62631567E+03 E0= 0.65457676E+03 EK= 0.53265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313954673728E+03 -0.14473E+01 -0.18316E-01 7932 0.234E+01 0.185E-01 RMM: 2 -0.313966830095E+03 -0.12156E-01 -0.98108E-02 4949 0.717E-01 0.712E-01 RMM: 3 -0.313963076820E+03 0.37533E-02 -0.10683E-02 5799 0.200E-01 0.161E-01 RMM: 4 -0.313962895328E+03 0.18149E-03 -0.68181E-04 4641 0.602E-02 0.156E-01 RMM: 5 -0.313962734950E+03 0.16038E-03 -0.15253E-04 3886 0.331E-02 0.762E-02 RMM: 6 -0.313962729285E+03 0.56648E-05 -0.73341E-05 3490 0.239E-02 3797 T= 6313. E= 0.67716950E+03 F= 0.62494537E+03 E0= 0.65325910E+03 EK= 0.52224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315319695763E+03 -0.13570E+01 -0.18288E-01 7908 0.232E+01 0.311E-01 RMM: 2 -0.315348213692E+03 -0.28518E-01 -0.10216E-01 4804 0.745E-01 0.170E+00 RMM: 3 -0.315327594835E+03 0.20619E-01 -0.14483E-02 5392 0.282E-01 0.289E-01 RMM: 4 -0.315327040622E+03 0.55421E-03 -0.17901E-03 4893 0.890E-02 0.121E-01 RMM: 5 -0.315327047848E+03 -0.72261E-05 -0.25496E-04 3907 0.375E-02 0.129E-01 RMM: 6 -0.315326939080E+03 0.10877E-03 -0.71655E-05 3456 0.249E-02 0.411E-02 RMM: 7 -0.315326940310E+03 -0.12300E-05 -0.22616E-05 2555 0.144E-02 3798 T= 6230. E= 0.67521622E+03 F= 0.62367381E+03 E0= 0.65203610E+03 EK= 0.51542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316570245749E+03 -0.12433E+01 -0.18136E-01 8160 0.231E+01 0.331E-01 RMM: 2 -0.316601067987E+03 -0.30822E-01 -0.10004E-01 4879 0.739E-01 0.182E+00 RMM: 3 -0.316577939673E+03 0.23128E-01 -0.15151E-02 5388 0.291E-01 0.331E-01 RMM: 4 -0.316577177235E+03 0.76244E-03 -0.19091E-03 4958 0.934E-02 0.116E-01 RMM: 5 -0.316577181425E+03 -0.41905E-05 -0.25868E-04 3892 0.377E-02 0.138E-01 RMM: 6 -0.316577052607E+03 0.12882E-03 -0.74910E-05 3515 0.249E-02 0.463E-02 RMM: 7 -0.316577064700E+03 -0.12093E-04 -0.37087E-05 2960 0.172E-02 3799 T= 6213. E= 0.67392150E+03 F= 0.62252358E+03 E0= 0.65093026E+03 EK= 0.51398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317684038217E+03 -0.11070E+01 -0.18631E-01 8016 0.232E+01 0.251E-01 RMM: 2 -0.317704194734E+03 -0.20157E-01 -0.11679E-01 4828 0.776E-01 0.120E+00 RMM: 3 -0.317693597441E+03 0.10597E-01 -0.13773E-02 5515 0.248E-01 0.213E-01 RMM: 4 -0.317693298448E+03 0.29899E-03 -0.12215E-03 4775 0.738E-02 0.139E-01 RMM: 5 -0.317693275730E+03 0.22718E-04 -0.21991E-04 3894 0.378E-02 0.134E-01 RMM: 6 -0.317693158175E+03 0.11756E-03 -0.86884E-05 3578 0.266E-02 0.401E-02 RMM: 7 -0.317693181362E+03 -0.23187E-04 -0.29873E-05 2763 0.163E-02 0.726E-02 RMM: 8 -0.317693153020E+03 0.28343E-04 -0.28003E-05 2600 0.168E-02 0.329E-02 RMM: 9 -0.317693147791E+03 0.52290E-05 -0.96623E-06 2466 0.965E-03 3800 T= 6262. E= 0.67331840E+03 F= 0.62151401E+03 E0= 0.64996134E+03 EK= 0.51804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318650619650E+03 -0.95747E+00 -0.19204E-01 8076 0.233E+01 0.214E-01 RMM: 2 -0.318667594165E+03 -0.16975E-01 -0.12389E-01 4840 0.790E-01 0.929E-01 RMM: 3 -0.318660974568E+03 0.66196E-02 -0.13523E-02 5674 0.231E-01 0.151E-01 RMM: 4 -0.318660923419E+03 0.51149E-04 -0.98184E-04 4752 0.701E-02 0.202E-01 RMM: 5 -0.318660679237E+03 0.24418E-03 -0.19934E-04 3886 0.366E-02 0.868E-02 RMM: 6 -0.318660634378E+03 0.44859E-04 -0.54362E-05 3237 0.214E-02 0.409E-02 RMM: 7 -0.318660656243E+03 -0.21865E-04 -0.37158E-05 2846 0.179E-02 0.746E-02 RMM: 8 -0.318660621713E+03 0.34530E-04 -0.29320E-05 2618 0.166E-02 0.231E-02 RMM: 9 -0.318660620958E+03 0.75482E-06 -0.97719E-06 2455 0.915E-03 3801 T= 6360. E= 0.67327426E+03 F= 0.62065900E+03 E0= 0.64914344E+03 EK= 0.52615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319459902265E+03 -0.79928E+00 -0.19617E-01 8472 0.235E+01 0.211E-01 RMM: 2 -0.319474609141E+03 -0.14707E-01 -0.12108E-01 4929 0.772E-01 0.769E-01 RMM: 3 -0.319469894242E+03 0.47149E-02 -0.12719E-02 5915 0.216E-01 0.159E-01 RMM: 4 -0.319469733160E+03 0.16108E-03 -0.87279E-04 4700 0.688E-02 0.173E-01 RMM: 5 -0.319469533814E+03 0.19935E-03 -0.17803E-04 3882 0.344E-02 0.665E-02 RMM: 6 -0.319469518493E+03 0.15321E-04 -0.39095E-05 3039 0.185E-02 3802 T= 6474. E= 0.67352738E+03 F= 0.61996793E+03 E0= 0.64848574E+03 EK= 0.53559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320104580590E+03 -0.63505E+00 -0.20744E-01 8028 0.237E+01 0.289E-01 RMM: 2 -0.320130046853E+03 -0.25466E-01 -0.14607E-01 4957 0.846E-01 0.137E+00 RMM: 3 -0.320116331227E+03 0.13716E-01 -0.16235E-02 5533 0.270E-01 0.244E-01 RMM: 4 -0.320115949216E+03 0.38201E-03 -0.14649E-03 4807 0.803E-02 0.156E-01 RMM: 5 -0.320115881490E+03 0.67726E-04 -0.23893E-04 3905 0.370E-02 0.136E-01 RMM: 6 -0.320115765656E+03 0.11583E-03 -0.95157E-05 3668 0.274E-02 0.538E-02 RMM: 7 -0.320115801916E+03 -0.36260E-04 -0.54860E-05 3268 0.207E-02 0.922E-02 RMM: 8 -0.320115755842E+03 0.46073E-04 -0.41841E-05 3031 0.197E-02 0.408E-02 RMM: 9 -0.320115747857E+03 0.79859E-05 -0.13570E-05 2499 0.112E-02 3803 T= 6566. E= 0.67375895E+03 F= 0.61944459E+03 E0= 0.64799125E+03 EK= 0.54314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320592937466E+03 -0.47718E+00 -0.21120E-01 8448 0.238E+01 0.292E-01 RMM: 2 -0.320619335100E+03 -0.26398E-01 -0.13755E-01 4926 0.811E-01 0.146E+00 RMM: 3 -0.320603868383E+03 0.15467E-01 -0.15139E-02 5490 0.266E-01 0.268E-01 RMM: 4 -0.320603443731E+03 0.42465E-03 -0.16549E-03 4874 0.887E-02 0.175E-01 RMM: 5 -0.320603385244E+03 0.58486E-04 -0.28387E-04 3897 0.417E-02 0.155E-01 RMM: 6 -0.320603220612E+03 0.16463E-03 -0.91645E-05 3634 0.276E-02 0.344E-02 RMM: 7 -0.320603234695E+03 -0.14083E-04 -0.32826E-05 2869 0.165E-02 3804 T= 6602. E= 0.67370125E+03 F= 0.61908513E+03 E0= 0.64765489E+03 EK= 0.54616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320933076597E+03 -0.32986E+00 -0.22408E-01 8316 0.238E+01 0.213E-01 RMM: 2 -0.320950433278E+03 -0.17357E-01 -0.15126E-01 5021 0.851E-01 0.733E-01 RMM: 3 -0.320945831209E+03 0.46021E-02 -0.14971E-02 5920 0.229E-01 0.161E-01 RMM: 4 -0.320945688448E+03 0.14276E-03 -0.89042E-04 4754 0.696E-02 0.203E-01 RMM: 5 -0.320945435965E+03 0.25248E-03 -0.19426E-04 3897 0.360E-02 0.939E-02 RMM: 6 -0.320945393869E+03 0.42096E-04 -0.68838E-05 3421 0.236E-02 0.572E-02 RMM: 7 -0.320945429411E+03 -0.35542E-04 -0.48937E-05 3161 0.200E-02 0.937E-02 RMM: 8 -0.320945372829E+03 0.56582E-04 -0.32704E-05 2863 0.183E-02 0.205E-02 RMM: 9 -0.320945375421E+03 -0.25921E-05 -0.10081E-05 2467 0.918E-03 3805 T= 6572. E= 0.67324534E+03 F= 0.61887650E+03 E0= 0.64746232E+03 EK= 0.54369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321151416539E+03 -0.20604E+00 -0.21208E-01 8700 0.237E+01 0.208E-01 RMM: 2 -0.321166851361E+03 -0.15435E-01 -0.13805E-01 5093 0.802E-01 0.681E-01 RMM: 3 -0.321162694500E+03 0.41569E-02 -0.12861E-02 6166 0.205E-01 0.125E-01 RMM: 4 -0.321162704564E+03 -0.10064E-04 -0.79183E-04 4725 0.685E-02 0.236E-01 RMM: 5 -0.321162342588E+03 0.36198E-03 -0.21600E-04 3894 0.394E-02 0.750E-02 RMM: 6 -0.321162321770E+03 0.20818E-04 -0.62398E-05 3337 0.226E-02 0.566E-02 RMM: 7 -0.321162337908E+03 -0.16138E-04 -0.37680E-05 2915 0.184E-02 3806 T= 6489. E= 0.67248345E+03 F= 0.61879894E+03 E0= 0.64739220E+03 EK= 0.53685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321261163277E+03 -0.98842E-01 -0.22536E-01 8172 0.235E+01 0.201E-01 RMM: 2 -0.321277667218E+03 -0.16504E-01 -0.16077E-01 5042 0.888E-01 0.520E-01 RMM: 3 -0.321274893106E+03 0.27741E-02 -0.15423E-02 6158 0.222E-01 0.142E-01 RMM: 4 -0.321274803616E+03 0.89490E-04 -0.80017E-04 4734 0.697E-02 0.231E-01 RMM: 5 -0.321274449757E+03 0.35386E-03 -0.21221E-04 3898 0.390E-02 0.727E-02 RMM: 6 -0.321274462287E+03 -0.12530E-04 -0.79379E-05 3528 0.246E-02 3807 T= 6386. E= 0.67166125E+03 F= 0.61883241E+03 E0= 0.64742503E+03 EK= 0.52829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321285090858E+03 -0.10641E-01 -0.21143E-01 8532 0.233E+01 0.269E-01 RMM: 2 -0.321307837685E+03 -0.22747E-01 -0.13384E-01 5090 0.790E-01 0.127E+00 RMM: 3 -0.321295546573E+03 0.12291E-01 -0.13554E-02 5516 0.246E-01 0.202E-01 RMM: 4 -0.321295412851E+03 0.13372E-03 -0.12868E-03 4795 0.778E-02 0.194E-01 RMM: 5 -0.321295219345E+03 0.19351E-03 -0.24217E-04 3891 0.381E-02 0.120E-01 RMM: 6 -0.321295139288E+03 0.80058E-04 -0.92285E-05 3684 0.271E-02 0.591E-02 RMM: 7 -0.321295184069E+03 -0.44781E-04 -0.66497E-05 3440 0.225E-02 0.998E-02 RMM: 8 -0.321295123363E+03 0.60706E-04 -0.39155E-05 3052 0.199E-02 0.312E-02 RMM: 9 -0.321295120624E+03 0.27388E-05 -0.10326E-05 2479 0.934E-03 3808 T= 6299. E= 0.67107106E+03 F= 0.61896348E+03 E0= 0.64754853E+03 EK= 0.52108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321219419897E+03 0.75703E-01 -0.21308E-01 8280 0.232E+01 0.289E-01 RMM: 2 -0.321245969040E+03 -0.26549E-01 -0.14911E-01 5057 0.849E-01 0.141E+00 RMM: 3 -0.321231159208E+03 0.14810E-01 -0.15097E-02 5521 0.261E-01 0.230E-01 RMM: 4 -0.321230860800E+03 0.29841E-03 -0.15745E-03 4916 0.866E-02 0.185E-01 RMM: 5 -0.321230752887E+03 0.10791E-03 -0.27948E-04 3893 0.420E-02 0.147E-01 RMM: 6 -0.321230608531E+03 0.14436E-03 -0.87992E-05 3638 0.265E-02 0.398E-02 RMM: 7 -0.321230642326E+03 -0.33795E-04 -0.54067E-05 3260 0.197E-02 0.852E-02 RMM: 8 -0.321230596608E+03 0.45718E-04 -0.35244E-05 2925 0.193E-02 0.254E-02 RMM: 9 -0.321230594400E+03 0.22077E-05 -0.86030E-06 2458 0.831E-03 3809 T= 6257. E= 0.67094536E+03 F= 0.61918543E+03 E0= 0.64775587E+03 EK= 0.51760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321070810156E+03 0.15979E+00 -0.19611E-01 8664 0.232E+01 0.231E-01 RMM: 2 -0.321085962387E+03 -0.15152E-01 -0.11170E-01 5256 0.711E-01 0.894E-01 RMM: 3 -0.321079558839E+03 0.64035E-02 -0.99818E-03 5642 0.199E-01 0.191E-01 RMM: 4 -0.321079477896E+03 0.80944E-04 -0.99921E-04 4703 0.729E-02 0.207E-01 RMM: 5 -0.321079224296E+03 0.25360E-03 -0.23897E-04 3888 0.395E-02 0.108E-01 RMM: 6 -0.321079164548E+03 0.59748E-04 -0.78190E-05 3547 0.251E-02 0.607E-02 RMM: 7 -0.321079200515E+03 -0.35967E-04 -0.70090E-05 3565 0.224E-02 0.970E-02 RMM: 8 -0.321079139722E+03 0.60793E-04 -0.37891E-05 3064 0.195E-02 0.245E-02 RMM: 9 -0.321079139478E+03 0.24368E-06 -0.89560E-06 2472 0.851E-03 3810 T= 6273. E= 0.67139377E+03 F= 0.61949923E+03 E0= 0.64805097E+03 EK= 0.51895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320824865208E+03 0.25427E+00 -0.19191E-01 8568 0.233E+01 0.224E-01 RMM: 2 -0.320838323952E+03 -0.13459E-01 -0.11459E-01 5176 0.726E-01 0.724E-01 RMM: 3 -0.320833972092E+03 0.43519E-02 -0.10485E-02 5910 0.193E-01 0.152E-01 RMM: 4 -0.320833989408E+03 -0.17316E-04 -0.83983E-04 4725 0.684E-02 0.229E-01 RMM: 5 -0.320833648318E+03 0.34109E-03 -0.23452E-04 3888 0.399E-02 0.848E-02 RMM: 6 -0.320833622621E+03 0.25697E-04 -0.68630E-05 3458 0.234E-02 0.646E-02 RMM: 7 -0.320833649371E+03 -0.26750E-04 -0.51276E-05 3218 0.199E-02 0.925E-02 RMM: 8 -0.320833594847E+03 0.54523E-04 -0.31836E-05 2898 0.181E-02 0.189E-02 RMM: 9 -0.320833597563E+03 -0.27154E-05 -0.91327E-06 2463 0.844E-03 3811 T= 6342. E= 0.67237699E+03 F= 0.61991112E+03 E0= 0.64844191E+03 EK= 0.52466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320478155429E+03 0.35544E+00 -0.18782E-01 8412 0.235E+01 0.215E-01 RMM: 2 -0.320489728772E+03 -0.11573E-01 -0.10059E-01 5137 0.689E-01 0.667E-01 RMM: 3 -0.320485998959E+03 0.37298E-02 -0.89415E-03 5917 0.184E-01 0.178E-01 RMM: 4 -0.320485949997E+03 0.48962E-04 -0.82922E-04 4676 0.698E-02 0.212E-01 RMM: 5 -0.320485650624E+03 0.29937E-03 -0.23189E-04 3881 0.395E-02 0.834E-02 RMM: 6 -0.320485633574E+03 0.17050E-04 -0.67986E-05 3434 0.236E-02 3812 T= 6441. E= 0.67371602E+03 F= 0.62042866E+03 E0= 0.64893924E+03 EK= 0.53287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320022134139E+03 0.46352E+00 -0.19089E-01 8352 0.237E+01 0.342E-01 RMM: 2 -0.320046264309E+03 -0.24130E-01 -0.10128E-01 5074 0.725E-01 0.154E+00 RMM: 3 -0.320029509489E+03 0.16755E-01 -0.13579E-02 5383 0.273E-01 0.305E-01 RMM: 4 -0.320029038781E+03 0.47071E-03 -0.16760E-03 4831 0.862E-02 0.177E-01 RMM: 5 -0.320028970978E+03 0.67803E-04 -0.32398E-04 3924 0.438E-02 0.173E-01 RMM: 6 -0.320028789929E+03 0.18105E-03 -0.15596E-04 3880 0.351E-02 0.683E-02 RMM: 7 -0.320028845809E+03 -0.55881E-04 -0.92393E-05 3751 0.258E-02 0.113E-01 RMM: 8 -0.320028773338E+03 0.72471E-04 -0.46286E-05 3202 0.209E-02 0.488E-02 RMM: 9 -0.320028760250E+03 0.13089E-04 -0.15499E-05 2520 0.120E-02 3813 T= 6537. E= 0.67513727E+03 F= 0.62105789E+03 E0= 0.64954954E+03 EK= 0.54079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319453865696E+03 0.57491E+00 -0.19177E-01 8172 0.238E+01 0.303E-01 RMM: 2 -0.319475802728E+03 -0.21937E-01 -0.10152E-01 4918 0.725E-01 0.140E+00 RMM: 3 -0.319461568937E+03 0.14234E-01 -0.12417E-02 5395 0.256E-01 0.305E-01 RMM: 4 -0.319461028684E+03 0.54025E-03 -0.16804E-03 4905 0.903E-02 0.167E-01 RMM: 5 -0.319461004877E+03 0.23807E-04 -0.31197E-04 3974 0.457E-02 0.167E-01 RMM: 6 -0.319460814957E+03 0.18992E-03 -0.10854E-04 3797 0.297E-02 0.431E-02 RMM: 7 -0.319460844440E+03 -0.29483E-04 -0.54245E-05 3274 0.197E-02 0.826E-02 RMM: 8 -0.319460804146E+03 0.40294E-04 -0.35147E-05 2913 0.194E-02 0.305E-02 RMM: 9 -0.319460799461E+03 0.46849E-05 -0.88521E-06 2466 0.873E-03 3814 T= 6595. E= 0.67635820E+03 F= 0.62180102E+03 E0= 0.65027783E+03 EK= 0.54557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318776424268E+03 0.68438E+00 -0.18963E-01 7932 0.239E+01 0.268E-01 RMM: 2 -0.318794174925E+03 -0.17751E-01 -0.10372E-01 4898 0.748E-01 0.115E+00 RMM: 3 -0.318784549814E+03 0.96251E-02 -0.11802E-02 5479 0.234E-01 0.223E-01 RMM: 4 -0.318784389529E+03 0.16029E-03 -0.12922E-03 4815 0.805E-02 0.194E-01 RMM: 5 -0.318784199270E+03 0.19026E-03 -0.26889E-04 3893 0.413E-02 0.129E-01 RMM: 6 -0.318784101318E+03 0.97952E-04 -0.91136E-05 3637 0.269E-02 0.551E-02 RMM: 7 -0.318784136433E+03 -0.35115E-04 -0.66038E-05 3448 0.222E-02 0.926E-02 RMM: 8 -0.318784082081E+03 0.54353E-04 -0.35956E-05 3014 0.197E-02 0.274E-02 RMM: 9 -0.318784080743E+03 0.13373E-05 -0.94112E-06 2471 0.884E-03 3815 T= 6593. E= 0.67719709E+03 F= 0.62265612E+03 E0= 0.65112195E+03 EK= 0.54541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317997293265E+03 0.78679E+00 -0.18517E-01 7836 0.239E+01 0.236E-01 RMM: 2 -0.318011409760E+03 -0.14116E-01 -0.10872E-01 4824 0.767E-01 0.849E-01 RMM: 3 -0.318006024190E+03 0.53856E-02 -0.12097E-02 5792 0.214E-01 0.156E-01 RMM: 4 -0.318006069353E+03 -0.45163E-04 -0.10146E-03 4800 0.760E-02 0.238E-01 RMM: 5 -0.318005733049E+03 0.33630E-03 -0.27922E-04 3921 0.439E-02 0.109E-01 RMM: 6 -0.318005671276E+03 0.61773E-04 -0.94385E-05 3656 0.273E-02 0.598E-02 RMM: 7 -0.318005710786E+03 -0.39510E-04 -0.55165E-05 3294 0.208E-02 0.976E-02 RMM: 8 -0.318005650378E+03 0.60409E-04 -0.32809E-05 2955 0.189E-02 0.219E-02 RMM: 9 -0.318005652301E+03 -0.19230E-05 -0.93917E-06 2466 0.880E-03 3816 T= 6532. E= 0.67765045E+03 F= 0.62361670E+03 E0= 0.65207553E+03 EK= 0.54034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317125612564E+03 0.88004E+00 -0.19339E-01 7764 0.239E+01 0.216E-01 RMM: 2 -0.317138519636E+03 -0.12907E-01 -0.11329E-01 4796 0.783E-01 0.666E-01 RMM: 3 -0.317134930583E+03 0.35891E-02 -0.12359E-02 5893 0.210E-01 0.161E-01 RMM: 4 -0.317134931889E+03 -0.13059E-05 -0.96961E-04 4870 0.778E-02 0.235E-01 RMM: 5 -0.317134566927E+03 0.36496E-03 -0.28889E-04 3974 0.449E-02 0.829E-02 RMM: 6 -0.317134556495E+03 0.10432E-04 -0.83133E-05 3570 0.254E-02 3817 T= 6433. E= 0.67789622E+03 F= 0.62467420E+03 E0= 0.65312864E+03 EK= 0.53222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316176691202E+03 0.95788E+00 -0.18665E-01 7776 0.238E+01 0.321E-01 RMM: 2 -0.316200815188E+03 -0.24124E-01 -0.10444E-01 4858 0.756E-01 0.152E+00 RMM: 3 -0.316184530209E+03 0.16285E-01 -0.13874E-02 5401 0.270E-01 0.267E-01 RMM: 4 -0.316184290834E+03 0.23938E-03 -0.16669E-03 4928 0.877E-02 0.207E-01 RMM: 5 -0.316184153126E+03 0.13771E-03 -0.37256E-04 4069 0.470E-02 0.171E-01 RMM: 6 -0.316183978550E+03 0.17458E-03 -0.17840E-04 3877 0.372E-02 0.749E-02 RMM: 7 -0.316184031956E+03 -0.53406E-04 -0.93026E-05 3707 0.257E-02 0.115E-01 RMM: 8 -0.316183952949E+03 0.79007E-04 -0.48040E-05 3225 0.220E-02 0.419E-02 RMM: 9 -0.316183945902E+03 0.70462E-05 -0.13894E-05 2510 0.111E-02 3818 T= 6334. E= 0.67821378E+03 F= 0.62581556E+03 E0= 0.65426897E+03 EK= 0.52398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315167244958E+03 0.10167E+01 -0.18619E-01 7932 0.237E+01 0.299E-01 RMM: 2 -0.315188459993E+03 -0.21215E-01 -0.10399E-01 4816 0.757E-01 0.137E+00 RMM: 3 -0.315175320131E+03 0.13140E-01 -0.13187E-02 5434 0.256E-01 0.277E-01 RMM: 4 -0.315174933694E+03 0.38644E-03 -0.16974E-03 4978 0.917E-02 0.186E-01 RMM: 5 -0.315174853011E+03 0.80683E-04 -0.34519E-04 4036 0.472E-02 0.165E-01 RMM: 6 -0.315174668589E+03 0.18442E-03 -0.12264E-04 3851 0.310E-02 0.452E-02 RMM: 7 -0.315174701622E+03 -0.33033E-04 -0.54751E-05 3287 0.200E-02 0.852E-02 RMM: 8 -0.315174658072E+03 0.43550E-04 -0.30745E-05 2824 0.182E-02 0.317E-02 RMM: 9 -0.315174653270E+03 0.48022E-05 -0.98199E-06 2465 0.916E-03 3819 T= 6268. E= 0.67887645E+03 F= 0.62701957E+03 E0= 0.65547218E+03 EK= 0.51857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314126176721E+03 0.10485E+01 -0.18314E-01 7884 0.237E+01 0.285E-01 RMM: 2 -0.314145125521E+03 -0.18949E-01 -0.94678E-02 4929 0.719E-01 0.129E+00 RMM: 3 -0.314133264839E+03 0.11861E-01 -0.11407E-02 5472 0.233E-01 0.195E-01 RMM: 4 -0.314133289260E+03 -0.24421E-04 -0.13548E-03 4801 0.833E-02 0.232E-01 RMM: 5 -0.314132982664E+03 0.30660E-03 -0.31751E-04 3979 0.450E-02 0.128E-01 RMM: 6 -0.314132891520E+03 0.91144E-04 -0.10928E-04 3825 0.288E-02 0.664E-02 RMM: 7 -0.314132921720E+03 -0.30200E-04 -0.77182E-05 3576 0.236E-02 0.966E-02 RMM: 8 -0.314132863070E+03 0.58650E-04 -0.38846E-05 3082 0.201E-02 0.286E-02 RMM: 9 -0.314132862363E+03 0.70759E-06 -0.10246E-05 2479 0.912E-03 3820 T= 6262. E= 0.68006341E+03 F= 0.62825920E+03 E0= 0.65671099E+03 EK= 0.51804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313084047482E+03 0.10488E+01 -0.18358E-01 7740 0.237E+01 0.242E-01 RMM: 2 -0.313095883185E+03 -0.11836E-01 -0.96459E-02 4902 0.720E-01 0.773E-01 RMM: 3 -0.313091572127E+03 0.43111E-02 -0.10725E-02 5773 0.205E-01 0.170E-01 RMM: 4 -0.313091669177E+03 -0.97050E-04 -0.95022E-04 4711 0.731E-02 0.254E-01 RMM: 5 -0.313091260869E+03 0.40831E-03 -0.27918E-04 3910 0.433E-02 0.107E-01 RMM: 6 -0.313091210813E+03 0.50057E-04 -0.11225E-04 3776 0.294E-02 0.699E-02 RMM: 7 -0.313091243483E+03 -0.32670E-04 -0.58913E-05 3386 0.215E-02 0.990E-02 RMM: 8 -0.313091179258E+03 0.64225E-04 -0.33615E-05 2934 0.186E-02 0.236E-02 RMM: 9 -0.313091181423E+03 -0.21652E-05 -0.11520E-05 2475 0.973E-03 3821 T= 6322. E= 0.68180110E+03 F= 0.62950074E+03 E0= 0.65795023E+03 EK= 0.52300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312077519764E+03 0.10137E+01 -0.18896E-01 8016 0.239E+01 0.228E-01 RMM: 2 -0.312089551359E+03 -0.12032E-01 -0.10569E-01 4885 0.760E-01 0.684E-01 RMM: 3 -0.312086193967E+03 0.33574E-02 -0.12001E-02 5957 0.202E-01 0.163E-01 RMM: 4 -0.312086200093E+03 -0.61263E-05 -0.95793E-04 4774 0.767E-02 0.250E-01 RMM: 5 -0.312085791569E+03 0.40852E-03 -0.31587E-04 4060 0.472E-02 0.879E-02 RMM: 6 -0.312085777052E+03 0.14517E-04 -0.89856E-05 3632 0.258E-02 3822 T= 6435. E= 0.68394401E+03 F= 0.63070706E+03 E0= 0.65915225E+03 EK= 0.53237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311144423705E+03 0.94137E+00 -0.19240E-01 7896 0.241E+01 0.330E-01 RMM: 2 -0.311167555395E+03 -0.23132E-01 -0.11418E-01 4904 0.805E-01 0.144E+00 RMM: 3 -0.311153171740E+03 0.14384E-01 -0.14796E-02 5412 0.273E-01 0.253E-01 RMM: 4 -0.311153010583E+03 0.16116E-03 -0.17006E-03 4903 0.882E-02 0.234E-01 RMM: 5 -0.311152786769E+03 0.22381E-03 -0.38411E-04 4117 0.481E-02 0.170E-01 RMM: 6 -0.311152615279E+03 0.17149E-03 -0.17304E-04 3885 0.359E-02 0.756E-02 RMM: 7 -0.311152682807E+03 -0.67528E-04 -0.10916E-04 3806 0.280E-02 0.124E-01 RMM: 8 -0.311152588807E+03 0.94000E-04 -0.57074E-05 3354 0.228E-02 0.420E-02 RMM: 9 -0.311152581841E+03 0.69664E-05 -0.14874E-05 2525 0.114E-02 3823 T= 6569. E= 0.68618887E+03 F= 0.63184167E+03 E0= 0.66027920E+03 EK= 0.54347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310315746189E+03 0.83684E+00 -0.19045E-01 7728 0.243E+01 0.347E-01 RMM: 2 -0.310344963008E+03 -0.29217E-01 -0.11970E-01 4817 0.833E-01 0.171E+00 RMM: 3 -0.310324779566E+03 0.20183E-01 -0.16694E-02 5397 0.299E-01 0.317E-01 RMM: 4 -0.310324229104E+03 0.55046E-03 -0.20527E-03 5144 0.984E-02 0.188E-01 RMM: 5 -0.310324210750E+03 0.18354E-04 -0.39203E-04 4075 0.475E-02 0.200E-01 RMM: 6 -0.310323940882E+03 0.26987E-03 -0.15794E-04 3874 0.351E-02 0.479E-02 RMM: 7 -0.310323969243E+03 -0.28361E-04 -0.56983E-05 3319 0.199E-02 0.855E-02 RMM: 8 -0.310323925897E+03 0.43346E-04 -0.36452E-05 2918 0.189E-02 0.342E-02 RMM: 9 -0.310323920060E+03 0.58375E-05 -0.11286E-05 2476 0.989E-03 3824 T= 6681. E= 0.68814202E+03 F= 0.63287240E+03 E0= 0.66129843E+03 EK= 0.55270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309612129103E+03 0.71180E+00 -0.18854E-01 7560 0.245E+01 0.290E-01 RMM: 2 -0.309631155171E+03 -0.19026E-01 -0.11777E-01 4891 0.821E-01 0.119E+00 RMM: 3 -0.309621388213E+03 0.97670E-02 -0.13826E-02 5564 0.246E-01 0.227E-01 RMM: 4 -0.309621288754E+03 0.99459E-04 -0.14752E-03 4907 0.883E-02 0.239E-01 RMM: 5 -0.309621012397E+03 0.27636E-03 -0.34197E-04 3986 0.461E-02 0.152E-01 RMM: 6 -0.309620869654E+03 0.14274E-03 -0.12387E-04 3848 0.305E-02 0.616E-02 RMM: 7 -0.309620922006E+03 -0.52352E-04 -0.94509E-05 3719 0.256E-02 0.110E-01 RMM: 8 -0.309620844291E+03 0.77715E-04 -0.49639E-05 3235 0.219E-02 0.293E-02 RMM: 9 -0.309620841948E+03 0.23431E-05 -0.10197E-05 2483 0.916E-03 3825 T= 6729. E= 0.68944865E+03 F= 0.63377902E+03 E0= 0.66218913E+03 EK= 0.55670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309042804649E+03 0.57804E+00 -0.18666E-01 7692 0.245E+01 0.266E-01 RMM: 2 -0.309057891277E+03 -0.15087E-01 -0.12237E-01 4874 0.837E-01 0.873E-01 RMM: 3 -0.309052687771E+03 0.52035E-02 -0.14015E-02 5780 0.235E-01 0.200E-01 RMM: 4 -0.309052686428E+03 0.13435E-05 -0.11774E-03 4835 0.819E-02 0.256E-01 RMM: 5 -0.309052277832E+03 0.40860E-03 -0.30552E-04 3941 0.436E-02 0.125E-01 RMM: 6 -0.309052193961E+03 0.83871E-04 -0.11939E-04 3798 0.304E-02 0.624E-02 RMM: 7 -0.309052242300E+03 -0.48339E-04 -0.64233E-05 3424 0.218E-02 0.105E-01 RMM: 8 -0.309052170235E+03 0.72065E-04 -0.36035E-05 3008 0.193E-02 0.269E-02 RMM: 9 -0.309052169271E+03 0.96383E-06 -0.10551E-05 2479 0.919E-03 3826 T= 6695. E= 0.68994087E+03 F= 0.63455398E+03 E0= 0.66294417E+03 EK= 0.55387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308611284211E+03 0.44089E+00 -0.19194E-01 7752 0.245E+01 0.270E-01 RMM: 2 -0.308627026211E+03 -0.15742E-01 -0.12624E-01 4889 0.846E-01 0.888E-01 RMM: 3 -0.308621494571E+03 0.55316E-02 -0.14233E-02 5835 0.231E-01 0.190E-01 RMM: 4 -0.308621463920E+03 0.30651E-04 -0.12756E-03 4898 0.875E-02 0.258E-01 RMM: 5 -0.308621066033E+03 0.39789E-03 -0.35237E-04 4066 0.493E-02 0.124E-01 RMM: 6 -0.308620985207E+03 0.80826E-04 -0.94979E-05 3654 0.267E-02 0.671E-02 RMM: 7 -0.308621018698E+03 -0.33492E-04 -0.79299E-05 3654 0.241E-02 0.993E-02 RMM: 8 -0.308620953842E+03 0.64857E-04 -0.39173E-05 3099 0.198E-02 0.220E-02 RMM: 9 -0.308620956987E+03 -0.31447E-05 -0.10043E-05 2478 0.881E-03 3827 T= 6591. E= 0.68971910E+03 F= 0.63519563E+03 E0= 0.66356352E+03 EK= 0.54523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308323320768E+03 0.29763E+00 -0.19798E-01 7608 0.243E+01 0.272E-01 RMM: 2 -0.308339158019E+03 -0.15837E-01 -0.13875E-01 4864 0.888E-01 0.796E-01 RMM: 3 -0.308334663093E+03 0.44949E-02 -0.15941E-02 5898 0.242E-01 0.203E-01 RMM: 4 -0.308334628389E+03 0.34703E-04 -0.12067E-03 4892 0.846E-02 0.273E-01 RMM: 5 -0.308334137976E+03 0.49041E-03 -0.33848E-04 4018 0.468E-02 0.108E-01 RMM: 6 -0.308334097333E+03 0.40643E-04 -0.11905E-04 3835 0.299E-02 0.793E-02 RMM: 7 -0.308334133536E+03 -0.36203E-04 -0.69998E-05 3518 0.230E-02 0.110E-01 RMM: 8 -0.308334054977E+03 0.78559E-04 -0.38085E-05 3074 0.194E-02 0.272E-02 RMM: 9 -0.308334054587E+03 0.39057E-06 -0.10974E-05 2482 0.933E-03 3828 T= 6456. E= 0.68910360E+03 F= 0.63569821E+03 E0= 0.66404436E+03 EK= 0.53405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308194459259E+03 0.13960E+00 -0.18905E-01 7572 0.240E+01 0.283E-01 RMM: 2 -0.308212270915E+03 -0.17812E-01 -0.14187E-01 4898 0.894E-01 0.938E-01 RMM: 3 -0.308206081069E+03 0.61898E-02 -0.16616E-02 5900 0.244E-01 0.204E-01 RMM: 4 -0.308205960951E+03 0.12012E-03 -0.13770E-03 4938 0.914E-02 0.262E-01 RMM: 5 -0.308205562370E+03 0.39858E-03 -0.36708E-04 4058 0.495E-02 0.136E-01 RMM: 6 -0.308205467995E+03 0.94375E-04 -0.11851E-04 3816 0.298E-02 0.730E-02 RMM: 7 -0.308205508732E+03 -0.40737E-04 -0.83993E-05 3672 0.250E-02 0.108E-01 RMM: 8 -0.308205432080E+03 0.76652E-04 -0.42913E-05 3162 0.206E-02 0.245E-02 RMM: 9 -0.308205434059E+03 -0.19797E-05 -0.10143E-05 2481 0.885E-03 3829 T= 6339. E= 0.68848976E+03 F= 0.63604820E+03 E0= 0.66437638E+03 EK= 0.52442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308238083281E+03 -0.32651E-01 -0.18900E-01 7584 0.239E+01 0.277E-01 RMM: 2 -0.308254184865E+03 -0.16102E-01 -0.14264E-01 4913 0.892E-01 0.781E-01 RMM: 3 -0.308249870477E+03 0.43144E-02 -0.16422E-02 5949 0.239E-01 0.212E-01 RMM: 4 -0.308249813025E+03 0.57452E-04 -0.12673E-03 4919 0.881E-02 0.285E-01 RMM: 5 -0.308249289751E+03 0.52327E-03 -0.38587E-04 4153 0.506E-02 0.114E-01 RMM: 6 -0.308249239099E+03 0.50653E-04 -0.13143E-04 3872 0.311E-02 0.807E-02 RMM: 7 -0.308249272234E+03 -0.33135E-04 -0.71542E-05 3540 0.233E-02 0.109E-01 RMM: 8 -0.308249196106E+03 0.76128E-04 -0.35621E-05 3046 0.188E-02 0.282E-02 RMM: 9 -0.308249195750E+03 0.35643E-06 -0.11076E-05 2481 0.930E-03 3830 T= 6282. E= 0.68819814E+03 F= 0.63623122E+03 E0= 0.66454850E+03 EK= 0.51967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308462708698E+03 -0.21351E+00 -0.17958E-01 7704 0.238E+01 0.286E-01 RMM: 2 -0.308478886663E+03 -0.16178E-01 -0.13330E-01 4940 0.862E-01 0.876E-01 RMM: 3 -0.308473456375E+03 0.54303E-02 -0.15161E-02 5905 0.234E-01 0.196E-01 RMM: 4 -0.308473523597E+03 -0.67222E-04 -0.13555E-03 4958 0.906E-02 0.300E-01 RMM: 5 -0.308472963203E+03 0.56039E-03 -0.40707E-04 4217 0.528E-02 0.123E-01 RMM: 6 -0.308472893097E+03 0.70106E-04 -0.11321E-04 3776 0.284E-02 0.757E-02 RMM: 7 -0.308472920889E+03 -0.27792E-04 -0.76380E-05 3605 0.236E-02 0.101E-01 RMM: 8 -0.308472853980E+03 0.66910E-04 -0.41594E-05 3160 0.201E-02 0.240E-02 RMM: 9 -0.308472856362E+03 -0.23823E-05 -0.10072E-05 2486 0.890E-03 3831 T= 6303. E= 0.68837865E+03 F= 0.63623891E+03 E0= 0.66455474E+03 EK= 0.52140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308854179867E+03 -0.38133E+00 -0.18088E-01 7668 0.240E+01 0.287E-01 RMM: 2 -0.308869385522E+03 -0.15206E-01 -0.13183E-01 4973 0.855E-01 0.803E-01 RMM: 3 -0.308864795426E+03 0.45901E-02 -0.14642E-02 5900 0.230E-01 0.218E-01 RMM: 4 -0.308864890435E+03 -0.95009E-04 -0.13816E-03 4944 0.921E-02 0.314E-01 RMM: 5 -0.308864243099E+03 0.64734E-03 -0.42969E-04 4228 0.537E-02 0.111E-01 RMM: 6 -0.308864188515E+03 0.54584E-04 -0.11263E-04 3797 0.284E-02 0.743E-02 RMM: 7 -0.308864228981E+03 -0.40465E-04 -0.72926E-05 3578 0.231E-02 0.110E-01 RMM: 8 -0.308864151493E+03 0.77487E-04 -0.38199E-05 3073 0.194E-02 0.274E-02 RMM: 9 -0.308864151158E+03 0.33541E-06 -0.11027E-05 2479 0.933E-03 3832 T= 6394. E= 0.68897662E+03 F= 0.63608247E+03 E0= 0.66440797E+03 EK= 0.52894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309368865999E+03 -0.50471E+00 -0.18836E-01 7632 0.242E+01 0.300E-01 RMM: 2 -0.309385038473E+03 -0.16172E-01 -0.13711E-01 4931 0.884E-01 0.864E-01 RMM: 3 -0.309379772368E+03 0.52661E-02 -0.15360E-02 5866 0.241E-01 0.204E-01 RMM: 4 -0.309380042847E+03 -0.27048E-03 -0.15065E-03 5030 0.960E-02 0.343E-01 RMM: 5 -0.309379286178E+03 0.75667E-03 -0.45322E-04 4350 0.549E-02 0.123E-01 RMM: 6 -0.309379205291E+03 0.80887E-04 -0.10998E-04 3738 0.276E-02 0.668E-02 RMM: 7 -0.309379237878E+03 -0.32587E-04 -0.71323E-05 3589 0.225E-02 0.978E-02 RMM: 8 -0.309379173761E+03 0.64117E-04 -0.36701E-05 3032 0.189E-02 0.247E-02 RMM: 9 -0.309379175590E+03 -0.18287E-05 -0.11240E-05 2482 0.953E-03 3833 T= 6521. E= 0.68974756E+03 F= 0.63580507E+03 E0= 0.66415151E+03 EK= 0.53942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309935087637E+03 -0.55591E+00 -0.20033E-01 7692 0.245E+01 0.307E-01 RMM: 2 -0.309953203121E+03 -0.18115E-01 -0.15843E-01 4841 0.949E-01 0.846E-01 RMM: 3 -0.309947932376E+03 0.52707E-02 -0.18175E-02 5849 0.260E-01 0.225E-01 RMM: 4 -0.309948185049E+03 -0.25267E-03 -0.16547E-03 5134 0.100E-01 0.358E-01 RMM: 5 -0.309947338888E+03 0.84616E-03 -0.49852E-04 4438 0.574E-02 0.119E-01 RMM: 6 -0.309947257180E+03 0.81707E-04 -0.10574E-04 3730 0.265E-02 0.620E-02 RMM: 7 -0.309947301211E+03 -0.44031E-04 -0.76012E-05 3659 0.231E-02 0.105E-01 RMM: 8 -0.309947229869E+03 0.71342E-04 -0.38457E-05 3074 0.191E-02 0.266E-02 RMM: 9 -0.309947231138E+03 -0.12690E-05 -0.11716E-05 2486 0.970E-03 3834 T= 6631. E= 0.69033006E+03 F= 0.63547732E+03 E0= 0.66385529E+03 EK= 0.54853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310470774026E+03 -0.52354E+00 -0.20197E-01 7632 0.247E+01 0.304E-01 RMM: 2 -0.310487459127E+03 -0.16685E-01 -0.15463E-01 4752 0.953E-01 0.754E-01 RMM: 3 -0.310483505914E+03 0.39532E-02 -0.18486E-02 5910 0.262E-01 0.219E-01 RMM: 4 -0.310483810936E+03 -0.30502E-03 -0.15742E-03 5216 0.989E-02 0.372E-01 RMM: 5 -0.310482897848E+03 0.91309E-03 -0.51222E-04 4517 0.587E-02 0.117E-01 RMM: 6 -0.310482830220E+03 0.67628E-04 -0.11535E-04 3783 0.276E-02 0.702E-02 RMM: 7 -0.310482861692E+03 -0.31472E-04 -0.71481E-05 3590 0.227E-02 0.101E-01 RMM: 8 -0.310482794014E+03 0.67678E-04 -0.37917E-05 3041 0.187E-02 0.238E-02 RMM: 9 -0.310482799067E+03 -0.50529E-05 -0.13588E-05 2494 0.105E-02 3835 T= 6673. E= 0.69039180E+03 F= 0.63518542E+03 E0= 0.66360316E+03 EK= 0.55206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310896320199E+03 -0.41353E+00 -0.19777E-01 7884 0.248E+01 0.302E-01 RMM: 2 -0.310912068106E+03 -0.15748E-01 -0.14227E-01 4775 0.906E-01 0.767E-01 RMM: 3 -0.310907804379E+03 0.42637E-02 -0.16929E-02 5868 0.255E-01 0.216E-01 RMM: 4 -0.310908123096E+03 -0.31872E-03 -0.15540E-03 5194 0.980E-02 0.362E-01 RMM: 5 -0.310907229418E+03 0.89368E-03 -0.54043E-04 4534 0.613E-02 0.967E-02 RMM: 6 -0.310907198223E+03 0.31194E-04 -0.99080E-05 3693 0.255E-02 0.775E-02 RMM: 7 -0.310907209073E+03 -0.10849E-04 -0.69789E-05 3619 0.222E-02 3836 T= 6623. E= 0.68980078E+03 F= 0.63500930E+03 E0= 0.66347194E+03 EK= 0.54791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311157041847E+03 -0.24984E+00 -0.19576E-01 7680 0.247E+01 0.303E-01 RMM: 2 -0.311172585187E+03 -0.15543E-01 -0.14927E-01 4733 0.924E-01 0.674E-01 RMM: 3 -0.311169363992E+03 0.32212E-02 -0.18032E-02 5934 0.257E-01 0.247E-01 RMM: 4 -0.311169583253E+03 -0.21926E-03 -0.15646E-03 5249 0.998E-02 0.371E-01 RMM: 5 -0.311168637327E+03 0.94593E-03 -0.57698E-04 4580 0.633E-02 0.898E-02 RMM: 6 -0.311168667371E+03 -0.30044E-04 -0.14022E-04 3872 0.302E-02 0.116E-01 RMM: 7 -0.311168641335E+03 0.26036E-04 -0.75775E-05 3590 0.243E-02 0.997E-02 RMM: 8 -0.311168577255E+03 0.64080E-04 -0.40780E-05 3148 0.189E-02 0.250E-02 RMM: 9 -0.311168586384E+03 -0.91290E-05 -0.13737E-05 2500 0.106E-02 3837 T= 6493. E= 0.68871788E+03 F= 0.63500213E+03 E0= 0.66351156E+03 EK= 0.53716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311239889226E+03 -0.71312E-01 -0.19493E-01 7668 0.245E+01 0.279E-01 RMM: 2 -0.311255482726E+03 -0.15593E-01 -0.14574E-01 4751 0.900E-01 0.689E-01 RMM: 3 -0.311251840613E+03 0.36421E-02 -0.17289E-02 5873 0.252E-01 0.199E-01 RMM: 4 -0.311252039011E+03 -0.19840E-03 -0.13502E-03 5188 0.913E-02 0.335E-01 RMM: 5 -0.311251283906E+03 0.75510E-03 -0.47447E-04 4547 0.579E-02 0.103E-01 RMM: 6 -0.311251257671E+03 0.26235E-04 -0.13087E-04 3867 0.296E-02 0.869E-02 RMM: 7 -0.311251269942E+03 -0.12271E-04 -0.63915E-05 3459 0.222E-02 3838 T= 6329. E= 0.68753826E+03 F= 0.63518035E+03 E0= 0.66373419E+03 EK= 0.52358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311168099848E+03 0.83158E-01 -0.18860E-01 7848 0.242E+01 0.311E-01 RMM: 2 -0.311182344610E+03 -0.14245E-01 -0.12528E-01 4814 0.845E-01 0.778E-01 RMM: 3 -0.311178068567E+03 0.42760E-02 -0.15021E-02 5799 0.240E-01 0.250E-01 RMM: 4 -0.311178273243E+03 -0.20468E-03 -0.15933E-03 5181 0.100E-01 0.357E-01 RMM: 5 -0.311177418534E+03 0.85471E-03 -0.63812E-04 4598 0.679E-02 0.112E-01 RMM: 6 -0.311177438404E+03 -0.19870E-04 -0.18045E-04 3890 0.348E-02 3839 T= 6189. E= 0.68672210E+03 F= 0.63552160E+03 E0= 0.66411481E+03 EK= 0.51200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310981558265E+03 0.19586E+00 -0.19653E-01 7596 0.240E+01 0.442E-01 RMM: 2 -0.311018814527E+03 -0.37256E-01 -0.15034E-01 4717 0.951E-01 0.193E+00 RMM: 3 -0.310992929966E+03 0.25885E-01 -0.22979E-02 5376 0.362E-01 0.463E-01 RMM: 4 -0.310991588612E+03 0.13414E-02 -0.29799E-03 5329 0.119E-01 0.202E-01 RMM: 5 -0.310991737538E+03 -0.14893E-03 -0.80347E-04 4607 0.711E-02 0.267E-01 RMM: 6 -0.310991296915E+03 0.44062E-03 -0.33693E-04 3921 0.486E-02 0.101E-01 RMM: 7 -0.310991333200E+03 -0.36285E-04 -0.14007E-04 3886 0.316E-02 0.122E-01 RMM: 8 -0.310991261371E+03 0.71829E-04 -0.62860E-05 3480 0.238E-02 0.687E-02 RMM: 9 -0.310991235194E+03 0.26178E-04 -0.20166E-05 2626 0.137E-02 0.258E-02 RMM: 10 -0.310991250192E+03 -0.14998E-04 -0.12220E-05 2490 0.984E-03 3840 T= 6122. E= 0.68662869E+03 F= 0.63598035E+03 E0= 0.66460752E+03 EK= 0.50648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310736428361E+03 0.25481E+00 -0.18949E-01 7632 0.239E+01 0.397E-01 RMM: 2 -0.310768196022E+03 -0.31768E-01 -0.11443E-01 4778 0.821E-01 0.183E+00 RMM: 3 -0.310744773328E+03 0.23423E-01 -0.17905E-02 5375 0.319E-01 0.385E-01 RMM: 4 -0.310743939349E+03 0.83398E-03 -0.27275E-03 5306 0.117E-01 0.219E-01 RMM: 5 -0.310743838776E+03 0.10057E-03 -0.55492E-04 4571 0.606E-02 0.206E-01 RMM: 6 -0.310743564689E+03 0.27409E-03 -0.18991E-04 3884 0.370E-02 0.568E-02 RMM: 7 -0.310743602131E+03 -0.37442E-04 -0.63924E-05 3430 0.216E-02 0.955E-02 RMM: 8 -0.310743550733E+03 0.51398E-04 -0.31281E-05 2834 0.179E-02 0.464E-02 RMM: 9 -0.310743536913E+03 0.13821E-04 -0.11478E-05 2491 0.103E-02 3841 T= 6155. E= 0.68742228E+03 F= 0.63650364E+03 E0= 0.66515660E+03 EK= 0.50919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310474181308E+03 0.26937E+00 -0.19178E-01 7644 0.240E+01 0.326E-01 RMM: 2 -0.310487642970E+03 -0.13462E-01 -0.10078E-01 4911 0.767E-01 0.952E-01 RMM: 3 -0.310481520541E+03 0.61224E-02 -0.12028E-02 5544 0.232E-01 0.269E-01 RMM: 4 -0.310481695348E+03 -0.17481E-03 -0.16187E-03 4941 0.965E-02 0.342E-01 RMM: 5 -0.310481038181E+03 0.65717E-03 -0.59809E-04 4590 0.648E-02 0.171E-01 RMM: 6 -0.310480879991E+03 0.15819E-03 -0.19455E-04 3880 0.366E-02 0.847E-02 RMM: 7 -0.310480946152E+03 -0.66161E-04 -0.10604E-04 3842 0.280E-02 0.128E-01 RMM: 8 -0.310480840730E+03 0.10542E-03 -0.51697E-05 3311 0.218E-02 0.436E-02 RMM: 9 -0.310480832920E+03 0.78107E-05 -0.14545E-05 2514 0.110E-02 3842 T= 6285. E= 0.68903282E+03 F= 0.63704255E+03 E0= 0.66571370E+03 EK= 0.51990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310230368616E+03 0.25047E+00 -0.19839E-01 7608 0.243E+01 0.304E-01 RMM: 2 -0.310244284801E+03 -0.13916E-01 -0.10904E-01 4823 0.793E-01 0.923E-01 RMM: 3 -0.310238449743E+03 0.58351E-02 -0.13008E-02 5656 0.235E-01 0.229E-01 RMM: 4 -0.310238590120E+03 -0.14038E-03 -0.14344E-03 4904 0.902E-02 0.309E-01 RMM: 5 -0.310238070754E+03 0.51937E-03 -0.49747E-04 4500 0.582E-02 0.161E-01 RMM: 6 -0.310237916640E+03 0.15411E-03 -0.17387E-04 3890 0.352E-02 0.656E-02 RMM: 7 -0.310237975411E+03 -0.58771E-04 -0.69908E-05 3481 0.233E-02 0.112E-01 RMM: 8 -0.310237895185E+03 0.80226E-04 -0.37069E-05 3069 0.194E-02 0.307E-02 RMM: 9 -0.310237893143E+03 0.20419E-05 -0.98902E-06 2482 0.900E-03 3843 T= 6477. E= 0.69114448E+03 F= 0.63756053E+03 E0= 0.66624319E+03 EK= 0.53584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310034167263E+03 0.20373E+00 -0.20138E-01 7764 0.246E+01 0.312E-01 RMM: 2 -0.310049572049E+03 -0.15405E-01 -0.11163E-01 4840 0.800E-01 0.102E+00 RMM: 3 -0.310042458344E+03 0.71137E-02 -0.13030E-02 5647 0.235E-01 0.242E-01 RMM: 4 -0.310042764538E+03 -0.30619E-03 -0.17191E-03 5069 0.100E-01 0.352E-01 RMM: 5 -0.310042080807E+03 0.68373E-03 -0.53373E-04 4538 0.604E-02 0.175E-01 RMM: 6 -0.310041885834E+03 0.19497E-03 -0.16082E-04 3886 0.332E-02 0.600E-02 RMM: 7 -0.310041950172E+03 -0.64338E-04 -0.85824E-05 3657 0.251E-02 0.117E-01 RMM: 8 -0.310041861567E+03 0.88605E-04 -0.42004E-05 3152 0.202E-02 0.291E-02 RMM: 9 -0.310041861256E+03 0.31024E-06 -0.10925E-05 2493 0.923E-03 3844 T= 6673. E= 0.69323160E+03 F= 0.63802984E+03 E0= 0.66671978E+03 EK= 0.55202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309910351363E+03 0.13151E+00 -0.20354E-01 7764 0.249E+01 0.336E-01 RMM: 2 -0.309928246244E+03 -0.17895E-01 -0.11526E-01 4916 0.817E-01 0.119E+00 RMM: 3 -0.309918557782E+03 0.96885E-02 -0.13468E-02 5531 0.247E-01 0.250E-01 RMM: 4 -0.309918767905E+03 -0.21012E-03 -0.18241E-03 5004 0.102E-01 0.331E-01 RMM: 5 -0.309918242283E+03 0.52562E-03 -0.49719E-04 4420 0.557E-02 0.202E-01 RMM: 6 -0.309917978880E+03 0.26340E-03 -0.19382E-04 3897 0.372E-02 0.648E-02 RMM: 7 -0.309918041650E+03 -0.62770E-04 -0.91573E-05 3674 0.256E-02 0.117E-01 RMM: 8 -0.309917957648E+03 0.84002E-04 -0.44225E-05 3173 0.207E-02 0.413E-02 RMM: 9 -0.309917949796E+03 0.78520E-05 -0.12741E-05 2505 0.105E-02 3845 T= 6802. E= 0.69469586E+03 F= 0.63842608E+03 E0= 0.66712071E+03 EK= 0.56270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309887732698E+03 0.30225E-01 -0.20756E-01 7968 0.250E+01 0.316E-01 RMM: 2 -0.309903029583E+03 -0.15297E-01 -0.12021E-01 4886 0.835E-01 0.963E-01 RMM: 3 -0.309896724081E+03 0.63055E-02 -0.13872E-02 5708 0.235E-01 0.228E-01 RMM: 4 -0.309897067044E+03 -0.34296E-03 -0.16391E-03 4998 0.987E-02 0.360E-01 RMM: 5 -0.309896303145E+03 0.76390E-03 -0.52012E-04 4480 0.583E-02 0.159E-01 RMM: 6 -0.309896157973E+03 0.14517E-03 -0.16647E-04 3884 0.339E-02 0.745E-02 RMM: 7 -0.309896228428E+03 -0.70455E-04 -0.94651E-05 3687 0.262E-02 0.127E-01 RMM: 8 -0.309896124947E+03 0.10348E-03 -0.50009E-05 3258 0.217E-02 0.350E-02 RMM: 9 -0.309896122008E+03 0.29394E-05 -0.12028E-05 2504 0.991E-03 3846 T= 6816. E= 0.69510457E+03 F= 0.63872131E+03 E0= 0.66742098E+03 EK= 0.56383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310004268304E+03 -0.10814E+00 -0.20197E-01 7752 0.248E+01 0.335E-01 RMM: 2 -0.310022322539E+03 -0.18054E-01 -0.11596E-01 4953 0.833E-01 0.120E+00 RMM: 3 -0.310012580716E+03 0.97418E-02 -0.13568E-02 5561 0.246E-01 0.241E-01 RMM: 4 -0.310012722021E+03 -0.14131E-03 -0.17737E-03 4961 0.100E-01 0.315E-01 RMM: 5 -0.310012245335E+03 0.47669E-03 -0.52238E-04 4509 0.583E-02 0.197E-01 RMM: 6 -0.310012009314E+03 0.23602E-03 -0.19515E-04 3887 0.366E-02 0.734E-02 RMM: 7 -0.310012087064E+03 -0.77750E-04 -0.10700E-04 3816 0.279E-02 0.130E-01 RMM: 8 -0.310011978832E+03 0.10823E-03 -0.52329E-05 3303 0.221E-02 0.368E-02 RMM: 9 -0.310011974650E+03 0.41821E-05 -0.11916E-05 2506 0.997E-03 3847 T= 6711. E= 0.69440321E+03 F= 0.63888252E+03 E0= 0.66758885E+03 EK= 0.55521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310288125188E+03 -0.27615E+00 -0.19694E-01 7656 0.246E+01 0.322E-01 RMM: 2 -0.310304218734E+03 -0.16094E-01 -0.11936E-01 4892 0.843E-01 0.104E+00 RMM: 3 -0.310296998507E+03 0.72202E-02 -0.13967E-02 5654 0.241E-01 0.229E-01 RMM: 4 -0.310297204801E+03 -0.20629E-03 -0.16909E-03 5015 0.997E-02 0.330E-01 RMM: 5 -0.310296566919E+03 0.63788E-03 -0.56606E-04 4567 0.617E-02 0.159E-01 RMM: 6 -0.310296442500E+03 0.12442E-03 -0.19647E-04 3884 0.361E-02 0.883E-02 RMM: 7 -0.310296498513E+03 -0.56013E-04 -0.89439E-05 3666 0.266E-02 0.127E-01 RMM: 8 -0.310296393777E+03 0.10474E-03 -0.44183E-05 3212 0.203E-02 0.313E-02 RMM: 9 -0.310296394997E+03 -0.12201E-05 -0.12040E-05 2500 0.982E-03 3848 T= 6534. E= 0.69293420E+03 F= 0.63888118E+03 E0= 0.66759786E+03 EK= 0.54053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310754952608E+03 -0.45856E+00 -0.19346E-01 7716 0.242E+01 0.328E-01 RMM: 2 -0.310773192509E+03 -0.18240E-01 -0.11838E-01 4909 0.837E-01 0.119E+00 RMM: 3 -0.310763731672E+03 0.94608E-02 -0.13632E-02 5560 0.240E-01 0.251E-01 RMM: 4 -0.310763808334E+03 -0.76662E-04 -0.17719E-03 5019 0.102E-01 0.310E-01 RMM: 5 -0.310763356750E+03 0.45158E-03 -0.58898E-04 4576 0.634E-02 0.200E-01 RMM: 6 -0.310763116414E+03 0.24034E-03 -0.21896E-04 3881 0.386E-02 0.772E-02 RMM: 7 -0.310763181578E+03 -0.65164E-04 -0.10562E-04 3818 0.287E-02 0.124E-01 RMM: 8 -0.310763080337E+03 0.10124E-03 -0.49695E-05 3297 0.215E-02 0.319E-02 RMM: 9 -0.310763080654E+03 -0.31707E-06 -0.11329E-05 2500 0.961E-03 3849 T= 6351. E= 0.69124633E+03 F= 0.63870503E+03 E0= 0.66743590E+03 EK= 0.52541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311390961521E+03 -0.62788E+00 -0.18758E-01 7728 0.240E+01 0.326E-01 RMM: 2 -0.311406950051E+03 -0.15989E-01 -0.11242E-01 4896 0.811E-01 0.107E+00 RMM: 3 -0.311399170261E+03 0.77798E-02 -0.12905E-02 5571 0.233E-01 0.242E-01 RMM: 4 -0.311399480440E+03 -0.31018E-03 -0.17795E-03 5054 0.103E-01 0.350E-01 RMM: 5 -0.311398784212E+03 0.69623E-03 -0.60612E-04 4559 0.641E-02 0.172E-01 RMM: 6 -0.311398615412E+03 0.16880E-03 -0.19892E-04 3880 0.366E-02 0.809E-02 RMM: 7 -0.311398673591E+03 -0.58179E-04 -0.96290E-05 3725 0.275E-02 0.124E-01 RMM: 8 -0.311398574082E+03 0.99509E-04 -0.46292E-05 3239 0.209E-02 0.308E-02 RMM: 9 -0.311398576024E+03 -0.19421E-05 -0.11224E-05 2497 0.956E-03 3850 T= 6224. E= 0.68985463E+03 F= 0.63836760E+03 E0= 0.66711798E+03 EK= 0.51487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312157670400E+03 -0.75910E+00 -0.18578E-01 7644 0.239E+01 0.331E-01 RMM: 2 -0.312173064596E+03 -0.15394E-01 -0.11261E-01 4868 0.814E-01 0.104E+00 RMM: 3 -0.312165934505E+03 0.71301E-02 -0.12967E-02 5586 0.230E-01 0.253E-01 RMM: 4 -0.312166225557E+03 -0.29105E-03 -0.18723E-03 5092 0.106E-01 0.356E-01 RMM: 5 -0.312165506801E+03 0.71876E-03 -0.64034E-04 4587 0.665E-02 0.179E-01 RMM: 6 -0.312165317625E+03 0.18918E-03 -0.18977E-04 3877 0.357E-02 0.728E-02 RMM: 7 -0.312165367504E+03 -0.49879E-04 -0.87370E-05 3713 0.264E-02 0.112E-01 RMM: 8 -0.312165285018E+03 0.82487E-04 -0.42381E-05 3197 0.202E-02 0.305E-02 RMM: 9 -0.312165286464E+03 -0.14467E-05 -0.11760E-05 2491 0.983E-03 3851 T= 6187. E= 0.68908441E+03 F= 0.63790534E+03 E0= 0.66668023E+03 EK= 0.51179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313000193809E+03 -0.83491E+00 -0.18512E-01 7788 0.239E+01 0.345E-01 RMM: 2 -0.313015914690E+03 -0.15721E-01 -0.10737E-01 4931 0.792E-01 0.109E+00 RMM: 3 -0.313007769724E+03 0.81450E-02 -0.12666E-02 5519 0.233E-01 0.243E-01 RMM: 4 -0.313008372792E+03 -0.60307E-03 -0.19969E-03 5076 0.108E-01 0.404E-01 RMM: 5 -0.313007386752E+03 0.98604E-03 -0.65344E-04 4580 0.668E-02 0.164E-01 RMM: 6 -0.313007224925E+03 0.16183E-03 -0.16027E-04 3871 0.322E-02 0.679E-02 RMM: 7 -0.313007274883E+03 -0.49958E-04 -0.82612E-05 3620 0.251E-02 0.110E-01 RMM: 8 -0.313007197264E+03 0.77619E-04 -0.40340E-05 3156 0.200E-02 0.312E-02 RMM: 9 -0.313007197530E+03 -0.26597E-06 -0.10570E-05 2492 0.928E-03 3852 T= 6243. E= 0.68902157E+03 F= 0.63737230E+03 E0= 0.66617705E+03 EK= 0.51649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313855385250E+03 -0.84819E+00 -0.18360E-01 7716 0.241E+01 0.345E-01 RMM: 2 -0.313868639892E+03 -0.13255E-01 -0.10615E-01 4939 0.781E-01 0.941E-01 RMM: 3 -0.313862917763E+03 0.57221E-02 -0.12341E-02 5643 0.223E-01 0.263E-01 RMM: 4 -0.313863510110E+03 -0.59235E-03 -0.19352E-03 5081 0.108E-01 0.418E-01 RMM: 5 -0.313862449075E+03 0.10610E-02 -0.66496E-04 4569 0.669E-02 0.172E-01 RMM: 6 -0.313862263983E+03 0.18509E-03 -0.17715E-04 3874 0.345E-02 0.647E-02 RMM: 7 -0.313862321162E+03 -0.57180E-04 -0.78631E-05 3599 0.247E-02 0.112E-01 RMM: 8 -0.313862238139E+03 0.83023E-04 -0.39164E-05 3126 0.196E-02 0.309E-02 RMM: 9 -0.313862239374E+03 -0.12349E-05 -0.12872E-05 2498 0.101E-02 3853 T= 6369. E= 0.68951892E+03 F= 0.63682863E+03 E0= 0.66566747E+03 EK= 0.52690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314665671226E+03 -0.80343E+00 -0.18511E-01 7776 0.244E+01 0.353E-01 RMM: 2 -0.314681401227E+03 -0.15730E-01 -0.11145E-01 4953 0.794E-01 0.107E+00 RMM: 3 -0.314673573518E+03 0.78277E-02 -0.13084E-02 5574 0.232E-01 0.248E-01 RMM: 4 -0.314674354972E+03 -0.78145E-03 -0.21356E-03 5117 0.113E-01 0.441E-01 RMM: 5 -0.314673131815E+03 0.12232E-02 -0.71010E-04 4583 0.696E-02 0.150E-01 RMM: 6 -0.314672993051E+03 0.13876E-03 -0.13956E-04 3862 0.296E-02 0.620E-02 RMM: 7 -0.314673034714E+03 -0.41662E-04 -0.75523E-05 3556 0.239E-02 0.102E-01 RMM: 8 -0.314672970124E+03 0.64590E-04 -0.36500E-05 3080 0.191E-02 0.323E-02 RMM: 9 -0.314672970216E+03 -0.91810E-07 -0.11014E-05 2490 0.933E-03 3854 T= 6517. E= 0.69024228E+03 F= 0.63633052E+03 E0= 0.66520686E+03 EK= 0.53912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315393887224E+03 -0.72092E+00 -0.18146E-01 7680 0.246E+01 0.352E-01 RMM: 2 -0.315406411941E+03 -0.12525E-01 -0.10484E-01 4966 0.775E-01 0.903E-01 RMM: 3 -0.315401191683E+03 0.52203E-02 -0.12308E-02 5634 0.227E-01 0.256E-01 RMM: 4 -0.315401958314E+03 -0.76663E-03 -0.18777E-03 5035 0.105E-01 0.444E-01 RMM: 5 -0.315400734482E+03 0.12238E-02 -0.66658E-04 4566 0.667E-02 0.165E-01 RMM: 6 -0.315400566839E+03 0.16764E-03 -0.16673E-04 3876 0.334E-02 0.654E-02 RMM: 7 -0.315400623851E+03 -0.57012E-04 -0.78128E-05 3568 0.244E-02 0.114E-01 RMM: 8 -0.315400539771E+03 0.84080E-04 -0.40959E-05 3153 0.199E-02 0.319E-02 RMM: 9 -0.315400540380E+03 -0.60912E-06 -0.13777E-05 2500 0.105E-02 3855 T= 6631. E= 0.69077058E+03 F= 0.63591674E+03 E0= 0.66483200E+03 EK= 0.54854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316029352146E+03 -0.62881E+00 -0.18633E-01 7824 0.246E+01 0.342E-01 RMM: 2 -0.316043286449E+03 -0.13934E-01 -0.10810E-01 4917 0.776E-01 0.954E-01 RMM: 3 -0.316037129505E+03 0.61569E-02 -0.12478E-02 5615 0.226E-01 0.251E-01 RMM: 4 -0.316037845983E+03 -0.71648E-03 -0.20085E-03 5120 0.110E-01 0.435E-01 RMM: 5 -0.316036645616E+03 0.12004E-02 -0.73523E-04 4595 0.719E-02 0.143E-01 RMM: 6 -0.316036526822E+03 0.11879E-03 -0.13462E-04 3852 0.293E-02 0.671E-02 RMM: 7 -0.316036560660E+03 -0.33838E-04 -0.77294E-05 3552 0.245E-02 0.993E-02 RMM: 8 -0.316036499676E+03 0.60984E-04 -0.37376E-05 3110 0.193E-02 0.325E-02 RMM: 9 -0.316036499927E+03 -0.25078E-06 -0.10748E-05 2491 0.924E-03 3856 T= 6668. E= 0.69075767E+03 F= 0.63559676E+03 E0= 0.66455090E+03 EK= 0.55161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316596067733E+03 -0.55957E+00 -0.18728E-01 7968 0.245E+01 0.340E-01 RMM: 2 -0.316608713595E+03 -0.12646E-01 -0.10359E-01 4960 0.764E-01 0.900E-01 RMM: 3 -0.316603405757E+03 0.53078E-02 -0.11873E-02 5632 0.222E-01 0.245E-01 RMM: 4 -0.316604142027E+03 -0.73627E-03 -0.18342E-03 5050 0.106E-01 0.438E-01 RMM: 5 -0.316602949374E+03 0.11927E-02 -0.68745E-04 4576 0.685E-02 0.152E-01 RMM: 6 -0.316602822593E+03 0.12678E-03 -0.16785E-04 3878 0.334E-02 0.786E-02 RMM: 7 -0.316602871170E+03 -0.48577E-04 -0.88140E-05 3636 0.262E-02 0.116E-01 RMM: 8 -0.316602784169E+03 0.87000E-04 -0.43694E-05 3200 0.206E-02 0.313E-02 RMM: 9 -0.316602784837E+03 -0.66839E-06 -0.11656E-05 2494 0.962E-03 3857 T= 6617. E= 0.69008834E+03 F= 0.63535034E+03 E0= 0.66434152E+03 EK= 0.54738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317136838091E+03 -0.53405E+00 -0.19058E-01 7764 0.243E+01 0.325E-01 RMM: 2 -0.317149667043E+03 -0.12829E-01 -0.11497E-01 4845 0.793E-01 0.780E-01 RMM: 3 -0.317145574752E+03 0.40923E-02 -0.13191E-02 5720 0.224E-01 0.261E-01 RMM: 4 -0.317146079658E+03 -0.50491E-03 -0.19035E-03 5175 0.109E-01 0.416E-01 RMM: 5 -0.317144961624E+03 0.11180E-02 -0.79619E-04 4596 0.756E-02 0.127E-01 RMM: 6 -0.317144902791E+03 0.58833E-04 -0.15321E-04 3872 0.317E-02 0.918E-02 RMM: 7 -0.317144913667E+03 -0.10876E-04 -0.78845E-05 3590 0.256E-02 3858 T= 6502. E= 0.68892658E+03 F= 0.63513367E+03 E0= 0.66415875E+03 EK= 0.53793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317713053416E+03 -0.56815E+00 -0.18665E-01 7920 0.240E+01 0.372E-01 RMM: 2 -0.317728268065E+03 -0.15215E-01 -0.10940E-01 4884 0.792E-01 0.107E+00 RMM: 3 -0.317720627328E+03 0.76407E-02 -0.12962E-02 5597 0.239E-01 0.270E-01 RMM: 4 -0.317721271379E+03 -0.64405E-03 -0.22114E-03 5217 0.115E-01 0.439E-01 RMM: 5 -0.317720158910E+03 0.11125E-02 -0.82172E-04 4605 0.761E-02 0.196E-01 RMM: 6 -0.317719956283E+03 0.20263E-03 -0.25352E-04 3887 0.411E-02 0.103E-01 RMM: 7 -0.317720005952E+03 -0.49669E-04 -0.13175E-04 3863 0.323E-02 0.132E-01 RMM: 8 -0.317719895666E+03 0.11029E-03 -0.63622E-05 3443 0.238E-02 0.398E-02 RMM: 9 -0.317719897466E+03 -0.18005E-05 -0.16058E-05 2537 0.116E-02 3859 T= 6374. E= 0.68761766E+03 F= 0.63489079E+03 E0= 0.66394743E+03 EK= 0.52727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318366087865E+03 -0.64619E+00 -0.19267E-01 7944 0.237E+01 0.315E-01 RMM: 2 -0.318382581467E+03 -0.16494E-01 -0.12630E-01 4788 0.828E-01 0.973E-01 RMM: 3 -0.318375647383E+03 0.69341E-02 -0.14106E-02 5634 0.239E-01 0.226E-01 RMM: 4 -0.318376268245E+03 -0.62086E-03 -0.18947E-03 5200 0.107E-01 0.414E-01 RMM: 5 -0.318375171835E+03 0.10964E-02 -0.72746E-04 4603 0.728E-02 0.129E-01 RMM: 6 -0.318375104487E+03 0.67348E-04 -0.17324E-04 3874 0.338E-02 0.878E-02 RMM: 7 -0.318375131451E+03 -0.26964E-04 -0.70825E-05 3507 0.240E-02 0.109E-01 RMM: 8 -0.318375054129E+03 0.77322E-04 -0.36954E-05 3107 0.191E-02 0.271E-02 RMM: 9 -0.318375053718E+03 0.41118E-06 -0.82378E-06 2472 0.816E-03 3860 T= 6280. E= 0.68652522E+03 F= 0.63457441E+03 E0= 0.66365791E+03 EK= 0.51951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319129028539E+03 -0.75397E+00 -0.18290E-01 7752 0.236E+01 0.376E-01 RMM: 2 -0.319146625357E+03 -0.17597E-01 -0.11538E-01 4895 0.806E-01 0.120E+00 RMM: 3 -0.319136921684E+03 0.97037E-02 -0.13547E-02 5546 0.245E-01 0.244E-01 RMM: 4 -0.319137695649E+03 -0.77397E-03 -0.23467E-03 5231 0.118E-01 0.448E-01 RMM: 5 -0.319136539893E+03 0.11558E-02 -0.79308E-04 4603 0.743E-02 0.200E-01 RMM: 6 -0.319136307249E+03 0.23264E-03 -0.24396E-04 3891 0.404E-02 0.897E-02 RMM: 7 -0.319136333322E+03 -0.26072E-04 -0.10026E-04 3747 0.287E-02 0.112E-01 RMM: 8 -0.319136253627E+03 0.79695E-04 -0.43008E-05 3181 0.201E-02 0.292E-02 RMM: 9 -0.319136260651E+03 -0.70238E-05 -0.14026E-05 2505 0.106E-02 3861 T= 6254. E= 0.68589620E+03 F= 0.63415765E+03 E0= 0.66326298E+03 EK= 0.51739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319998941140E+03 -0.86269E+00 -0.17934E-01 7944 0.236E+01 0.348E-01 RMM: 2 -0.320010649349E+03 -0.11708E-01 -0.10110E-01 4919 0.748E-01 0.829E-01 RMM: 3 -0.320005958841E+03 0.46905E-02 -0.11301E-02 5633 0.219E-01 0.273E-01 RMM: 4 -0.320006699407E+03 -0.74057E-03 -0.19162E-03 5114 0.108E-01 0.453E-01 RMM: 5 -0.320005344734E+03 0.13547E-02 -0.83646E-04 4605 0.776E-02 0.130E-01 RMM: 6 -0.320005297969E+03 0.46766E-04 -0.19571E-04 3880 0.356E-02 0.105E-01 RMM: 7 -0.320005310124E+03 -0.12155E-04 -0.81062E-05 3606 0.256E-02 3862 T= 6304. E= 0.68579159E+03 F= 0.63363708E+03 E0= 0.66275884E+03 EK= 0.52155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320952859877E+03 -0.94756E+00 -0.18036E-01 8196 0.238E+01 0.396E-01 RMM: 2 -0.320966958174E+03 -0.14098E-01 -0.10349E-01 4909 0.769E-01 0.106E+00 RMM: 3 -0.320959631060E+03 0.73271E-02 -0.12157E-02 5543 0.233E-01 0.273E-01 RMM: 4 -0.320960739683E+03 -0.11086E-02 -0.23835E-03 5219 0.120E-01 0.513E-01 RMM: 5 -0.320959078211E+03 0.16615E-02 -0.92724E-04 4603 0.813E-02 0.167E-01 RMM: 6 -0.320958965200E+03 0.11301E-03 -0.24923E-04 3897 0.404E-02 0.114E-01 RMM: 7 -0.320958993922E+03 -0.28722E-04 -0.10823E-04 3826 0.288E-02 0.130E-01 RMM: 8 -0.320958883443E+03 0.11048E-03 -0.59227E-05 3391 0.226E-02 0.362E-02 RMM: 9 -0.320958890996E+03 -0.75531E-05 -0.18231E-05 2545 0.124E-02 3863 T= 6412. E= 0.68607707E+03 F= 0.63303442E+03 E0= 0.66216778E+03 EK= 0.53043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321945173516E+03 -0.98629E+00 -0.18957E-01 7956 0.240E+01 0.348E-01 RMM: 2 -0.321958894559E+03 -0.13721E-01 -0.12175E-01 4850 0.821E-01 0.843E-01 RMM: 3 -0.321953999961E+03 0.48946E-02 -0.13776E-02 5608 0.237E-01 0.291E-01 RMM: 4 -0.321954524997E+03 -0.52504E-03 -0.20989E-03 5160 0.112E-01 0.433E-01 RMM: 5 -0.321953389592E+03 0.11354E-02 -0.80092E-04 4608 0.753E-02 0.177E-01 RMM: 6 -0.321953188020E+03 0.20157E-03 -0.20701E-04 3893 0.374E-02 0.603E-02 RMM: 7 -0.321953239271E+03 -0.51250E-04 -0.56378E-05 3329 0.210E-02 0.109E-01 RMM: 8 -0.321953160640E+03 0.78631E-04 -0.30160E-05 2844 0.178E-02 0.241E-02 RMM: 9 -0.321953163108E+03 -0.24684E-05 -0.10083E-05 2477 0.896E-03 3864 T= 6536. E= 0.68645982E+03 F= 0.63239262E+03 E0= 0.66153265E+03 EK= 0.54067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322927032964E+03 -0.97387E+00 -0.19008E-01 7920 0.243E+01 0.404E-01 RMM: 2 -0.322945152507E+03 -0.18120E-01 -0.11625E-01 4892 0.817E-01 0.125E+00 RMM: 3 -0.322934698829E+03 0.10454E-01 -0.14067E-02 5523 0.250E-01 0.253E-01 RMM: 4 -0.322935872944E+03 -0.11741E-02 -0.25483E-03 5275 0.123E-01 0.514E-01 RMM: 5 -0.322934231381E+03 0.16416E-02 -0.85192E-04 4607 0.773E-02 0.182E-01 RMM: 6 -0.322934043782E+03 0.18760E-03 -0.23532E-04 3883 0.391E-02 0.896E-02 RMM: 7 -0.322934064325E+03 -0.20543E-04 -0.88458E-05 3690 0.263E-02 0.110E-01 RMM: 8 -0.322933986779E+03 0.77546E-04 -0.43735E-05 3205 0.200E-02 0.277E-02 RMM: 9 -0.322933997643E+03 -0.10863E-04 -0.16616E-05 2519 0.116E-02 3865 T= 6626. E= 0.68658307E+03 F= 0.63176603E+03 E0= 0.66090815E+03 EK= 0.54817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323843848602E+03 -0.90986E+00 -0.19241E-01 7932 0.244E+01 0.372E-01 RMM: 2 -0.323856574686E+03 -0.12726E-01 -0.10954E-01 4863 0.786E-01 0.882E-01 RMM: 3 -0.323851424461E+03 0.51502E-02 -0.12910E-02 5580 0.234E-01 0.309E-01 RMM: 4 -0.323852131850E+03 -0.70739E-03 -0.22878E-03 5216 0.118E-01 0.471E-01 RMM: 5 -0.323850759995E+03 0.13719E-02 -0.91804E-04 4606 0.811E-02 0.174E-01 RMM: 6 -0.323850584804E+03 0.17519E-03 -0.20493E-04 3891 0.368E-02 0.793E-02 RMM: 7 -0.323850641583E+03 -0.56779E-04 -0.85959E-05 3632 0.255E-02 0.122E-01 RMM: 8 -0.323850544336E+03 0.97247E-04 -0.43060E-05 3202 0.203E-02 0.289E-02 RMM: 9 -0.323850551684E+03 -0.73478E-05 -0.14849E-05 2509 0.109E-02 3866 T= 6644. E= 0.68617430E+03 F= 0.63120671E+03 E0= 0.66034810E+03 EK= 0.54968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324661178298E+03 -0.81063E+00 -0.19000E-01 8088 0.243E+01 0.379E-01 RMM: 2 -0.324675893942E+03 -0.14716E-01 -0.10882E-01 4807 0.788E-01 0.105E+00 RMM: 3 -0.324668491505E+03 0.74024E-02 -0.12959E-02 5555 0.236E-01 0.260E-01 RMM: 4 -0.324669530033E+03 -0.10385E-02 -0.23573E-03 5262 0.120E-01 0.497E-01 RMM: 5 -0.324668002708E+03 0.15273E-02 -0.85767E-04 4608 0.778E-02 0.176E-01 RMM: 6 -0.324667840897E+03 0.16181E-03 -0.24965E-04 3905 0.408E-02 0.940E-02 RMM: 7 -0.324667881559E+03 -0.40662E-04 -0.97377E-05 3724 0.278E-02 0.123E-01 RMM: 8 -0.324667781837E+03 0.99722E-04 -0.50417E-05 3283 0.213E-02 0.305E-02 RMM: 9 -0.324667788283E+03 -0.64462E-05 -0.15277E-05 2513 0.112E-02 3867 T= 6580. E= 0.68518226E+03 F= 0.63075148E+03 E0= 0.65989018E+03 EK= 0.54431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325363162550E+03 -0.69538E+00 -0.18571E-01 7884 0.242E+01 0.366E-01 RMM: 2 -0.325375595553E+03 -0.12433E-01 -0.10142E-01 4860 0.755E-01 0.913E-01 RMM: 3 -0.325369926809E+03 0.56687E-02 -0.11936E-02 5526 0.228E-01 0.290E-01 RMM: 4 -0.325370769345E+03 -0.84254E-03 -0.22868E-03 5216 0.119E-01 0.482E-01 RMM: 5 -0.325369338369E+03 0.14310E-02 -0.94078E-04 4605 0.827E-02 0.169E-01 RMM: 6 -0.325369188988E+03 0.14938E-03 -0.21131E-04 3888 0.374E-02 0.905E-02 RMM: 7 -0.325369222899E+03 -0.33912E-04 -0.85681E-05 3607 0.263E-02 0.119E-01 RMM: 8 -0.325369133437E+03 0.89463E-04 -0.43082E-05 3217 0.200E-02 0.290E-02 RMM: 9 -0.325369143731E+03 -0.10294E-04 -0.14368E-05 2510 0.108E-02 3868 T= 6454. E= 0.68381448E+03 F= 0.63041853E+03 E0= 0.65955409E+03 EK= 0.53396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325947262334E+03 -0.57813E+00 -0.18318E-01 7776 0.239E+01 0.365E-01 RMM: 2 -0.325959175510E+03 -0.11913E-01 -0.10012E-01 4834 0.752E-01 0.887E-01 RMM: 3 -0.325953879941E+03 0.52956E-02 -0.11662E-02 5546 0.224E-01 0.273E-01 RMM: 4 -0.325954726549E+03 -0.84661E-03 -0.21973E-03 5217 0.117E-01 0.476E-01 RMM: 5 -0.325953344238E+03 0.13823E-02 -0.91188E-04 4605 0.809E-02 0.174E-01 RMM: 6 -0.325953198911E+03 0.14533E-03 -0.23166E-04 3895 0.392E-02 0.101E-01 RMM: 7 -0.325953221449E+03 -0.22538E-04 -0.99087E-05 3746 0.290E-02 0.119E-01 RMM: 8 -0.325953131752E+03 0.89697E-04 -0.46174E-05 3247 0.205E-02 0.310E-02 RMM: 9 -0.325953139741E+03 -0.79893E-05 -0.15152E-05 2513 0.111E-02 3869 T= 6314. E= 0.68244526E+03 F= 0.63021013E+03 E0= 0.65934213E+03 EK= 0.52235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326421701918E+03 -0.46857E+00 -0.17910E-01 8016 0.237E+01 0.365E-01 RMM: 2 -0.326433927020E+03 -0.12225E-01 -0.97389E-02 4872 0.736E-01 0.930E-01 RMM: 3 -0.326428036450E+03 0.58906E-02 -0.11375E-02 5522 0.220E-01 0.275E-01 RMM: 4 -0.326428945404E+03 -0.90895E-03 -0.22374E-03 5206 0.118E-01 0.484E-01 RMM: 5 -0.326427476528E+03 0.14689E-02 -0.96428E-04 4608 0.843E-02 0.159E-01 RMM: 6 -0.326427366465E+03 0.11006E-03 -0.21594E-04 3887 0.375E-02 0.103E-01 RMM: 7 -0.326427378806E+03 -0.12341E-04 -0.96647E-05 3697 0.286E-02 3870 T= 6206. E= 0.68146238E+03 F= 0.63011812E+03 E0= 0.65924637E+03 EK= 0.51344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326793324906E+03 -0.36596E+00 -0.17598E-01 7776 0.236E+01 0.388E-01 RMM: 2 -0.326803164588E+03 -0.98397E-02 -0.90509E-02 4914 0.697E-01 0.797E-01 RMM: 3 -0.326798975910E+03 0.41887E-02 -0.10217E-02 5539 0.206E-01 0.318E-01 RMM: 4 -0.326800074778E+03 -0.10989E-02 -0.24635E-03 5214 0.126E-01 0.541E-01 RMM: 5 -0.326798209262E+03 0.18655E-02 -0.11340E-03 4608 0.908E-02 0.147E-01 RMM: 6 -0.326798181275E+03 0.27988E-04 -0.25427E-04 3895 0.405E-02 0.138E-01 RMM: 7 -0.326798102814E+03 0.78460E-04 -0.10673E-04 3847 0.319E-02 0.911E-02 RMM: 8 -0.326798055482E+03 0.47333E-04 -0.39018E-05 3125 0.187E-02 0.368E-02 RMM: 9 -0.326798082097E+03 -0.26615E-04 -0.21795E-05 2582 0.133E-02 0.661E-02 RMM: 10 -0.326798062187E+03 0.19910E-04 -0.16276E-05 2524 0.131E-02 3871 T= 6166. E= 0.68114141E+03 F= 0.63013443E+03 E0= 0.65925893E+03 EK= 0.51007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327058514147E+03 -0.26043E+00 -0.17066E-01 7788 0.236E+01 0.328E-01 RMM: 2 -0.327067066835E+03 -0.85527E-02 -0.84889E-02 4830 0.692E-01 0.693E-01 RMM: 3 -0.327063972790E+03 0.30940E-02 -0.99046E-03 5578 0.204E-01 0.266E-01 RMM: 4 -0.327064717376E+03 -0.74459E-03 -0.16830E-03 5021 0.102E-01 0.448E-01 RMM: 5 -0.327063485697E+03 0.12317E-02 -0.75851E-04 4597 0.741E-02 0.164E-01 RMM: 6 -0.327063330121E+03 0.15558E-03 -0.20115E-04 3893 0.365E-02 0.705E-02 RMM: 7 -0.327063348419E+03 -0.18297E-04 -0.62130E-05 3449 0.236E-02 3872 T= 6204. E= 0.68158144E+03 F= 0.63025824E+03 E0= 0.65937718E+03 EK= 0.51323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327207995686E+03 -0.14467E+00 -0.17427E-01 7788 0.238E+01 0.405E-01 RMM: 2 -0.327214389780E+03 -0.63941E-02 -0.70455E-02 5008 0.643E-01 0.697E-01 RMM: 3 -0.327211729143E+03 0.26606E-02 -0.83156E-03 5437 0.199E-01 0.367E-01 RMM: 4 -0.327212861345E+03 -0.11322E-02 -0.22053E-03 5157 0.118E-01 0.567E-01 RMM: 5 -0.327210723821E+03 0.21375E-02 -0.11253E-03 4608 0.896E-02 0.119E-01 RMM: 6 -0.327210748256E+03 -0.24435E-04 -0.23564E-04 3880 0.386E-02 0.141E-01 RMM: 7 -0.327210672506E+03 0.75750E-04 -0.93896E-05 3722 0.288E-02 0.979E-02 RMM: 8 -0.327210615508E+03 0.56998E-04 -0.35666E-05 3062 0.179E-02 0.352E-02 RMM: 9 -0.327210636575E+03 -0.21067E-04 -0.21732E-05 2587 0.132E-02 0.621E-02 RMM: 10 -0.327210620008E+03 0.16567E-04 -0.15561E-05 2512 0.129E-02 3873 T= 6309. E= 0.68269067E+03 F= 0.63049942E+03 E0= 0.65961166E+03 EK= 0.52191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327219324366E+03 -0.86878E-02 -0.17748E-01 7980 0.240E+01 0.326E-01 RMM: 2 -0.327224477505E+03 -0.51531E-02 -0.67379E-02 5001 0.615E-01 0.476E-01 RMM: 3 -0.327223480421E+03 0.99708E-03 -0.73851E-03 5486 0.179E-01 0.338E-01 RMM: 4 -0.327223706844E+03 -0.22642E-03 -0.13071E-03 4788 0.906E-02 0.400E-01 RMM: 5 -0.327222653771E+03 0.10531E-02 -0.59820E-04 4566 0.644E-02 0.104E-01 RMM: 6 -0.327222627213E+03 0.26558E-04 -0.14071E-04 3861 0.301E-02 0.888E-02 RMM: 7 -0.327222600296E+03 0.26917E-04 -0.47835E-05 3243 0.218E-02 0.655E-02 RMM: 8 -0.327222574833E+03 0.25464E-04 -0.17456E-05 2566 0.132E-02 0.230E-02 RMM: 9 -0.327222582532E+03 -0.76996E-05 -0.91094E-06 2463 0.846E-03 3874 T= 6446. E= 0.68420067E+03 F= 0.63087331E+03 E0= 0.65997597E+03 EK= 0.53327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327080441092E+03 0.14213E+00 -0.18116E-01 8232 0.243E+01 0.370E-01 RMM: 2 -0.327086047946E+03 -0.56069E-02 -0.69996E-02 5019 0.633E-01 0.564E-01 RMM: 3 -0.327084539053E+03 0.15089E-02 -0.77861E-03 5460 0.185E-01 0.362E-01 RMM: 4 -0.327085140504E+03 -0.60145E-03 -0.16374E-03 4896 0.101E-01 0.488E-01 RMM: 5 -0.327083551020E+03 0.15895E-02 -0.84380E-04 4610 0.769E-02 0.113E-01 RMM: 6 -0.327083523749E+03 0.27271E-04 -0.17697E-04 3878 0.335E-02 0.102E-01 RMM: 7 -0.327083509165E+03 0.14584E-04 -0.68463E-05 3488 0.244E-02 3875 T= 6568. E= 0.68573180E+03 F= 0.63139495E+03 E0= 0.66048491E+03 EK= 0.54337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326786663455E+03 0.29686E+00 -0.18211E-01 7992 0.245E+01 0.391E-01 RMM: 2 -0.326794372079E+03 -0.77086E-02 -0.74922E-02 5022 0.657E-01 0.768E-01 RMM: 3 -0.326790885741E+03 0.34863E-02 -0.86514E-03 5461 0.197E-01 0.336E-01 RMM: 4 -0.326791952521E+03 -0.10668E-02 -0.22181E-03 5150 0.118E-01 0.536E-01 RMM: 5 -0.326790056294E+03 0.18962E-02 -0.10566E-03 4607 0.866E-02 0.129E-01 RMM: 6 -0.326790039197E+03 0.17098E-04 -0.20879E-04 3892 0.367E-02 0.125E-01 RMM: 7 -0.326790008875E+03 0.30322E-04 -0.90734E-05 3776 0.275E-02 0.107E-01 RMM: 8 -0.326789938755E+03 0.70120E-04 -0.39323E-05 3141 0.187E-02 0.343E-02 RMM: 9 -0.326789954684E+03 -0.15929E-04 -0.21163E-05 2590 0.132E-02 3876 T= 6630. E= 0.68691753E+03 F= 0.63206844E+03 E0= 0.66114416E+03 EK= 0.54849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326354891081E+03 0.43505E+00 -0.18288E-01 8064 0.245E+01 0.330E-01 RMM: 2 -0.326363274068E+03 -0.83830E-02 -0.81495E-02 4892 0.680E-01 0.705E-01 RMM: 3 -0.326360064060E+03 0.32100E-02 -0.91222E-03 5515 0.195E-01 0.276E-01 RMM: 4 -0.326360800384E+03 -0.73632E-03 -0.17870E-03 5056 0.106E-01 0.449E-01 RMM: 5 -0.326359500999E+03 0.12994E-02 -0.80407E-04 4607 0.764E-02 0.135E-01 RMM: 6 -0.326359404681E+03 0.96318E-04 -0.18423E-04 3885 0.351E-02 0.740E-02 RMM: 7 -0.326359431434E+03 -0.26753E-04 -0.56410E-05 3375 0.224E-02 0.993E-02 RMM: 8 -0.326359366721E+03 0.64713E-04 -0.25387E-05 2804 0.162E-02 0.230E-02 RMM: 9 -0.326359369993E+03 -0.32717E-05 -0.88840E-06 2471 0.820E-03 3877 T= 6609. E= 0.68755586E+03 F= 0.63287796E+03 E0= 0.66193834E+03 EK= 0.54678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325828215629E+03 0.53115E+00 -0.18184E-01 8040 0.244E+01 0.361E-01 RMM: 2 -0.325837959970E+03 -0.97443E-02 -0.96488E-02 4862 0.734E-01 0.706E-01 RMM: 3 -0.325834675997E+03 0.32840E-02 -0.11110E-02 5610 0.204E-01 0.284E-01 RMM: 4 -0.325835380773E+03 -0.70478E-03 -0.19663E-03 5156 0.114E-01 0.469E-01 RMM: 5 -0.325833937624E+03 0.14431E-02 -0.87459E-04 4602 0.786E-02 0.111E-01 RMM: 6 -0.325833961217E+03 -0.23593E-04 -0.18660E-04 3878 0.344E-02 0.131E-01 RMM: 7 -0.325833886429E+03 0.74788E-04 -0.83532E-05 3674 0.278E-02 0.847E-02 RMM: 8 -0.325833843678E+03 0.42751E-04 -0.26911E-05 2864 0.159E-02 0.296E-02 RMM: 9 -0.325833861644E+03 -0.17966E-04 -0.15340E-05 2523 0.111E-02 3878 T= 6517. E= 0.68770014E+03 F= 0.63378319E+03 E0= 0.66282928E+03 EK= 0.53917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325272526396E+03 0.56132E+00 -0.17445E-01 7824 0.241E+01 0.330E-01 RMM: 2 -0.325281801932E+03 -0.92755E-02 -0.10274E-01 4833 0.744E-01 0.547E-01 RMM: 3 -0.325279872343E+03 0.19296E-02 -0.11587E-02 5680 0.205E-01 0.275E-01 RMM: 4 -0.325280491228E+03 -0.61888E-03 -0.16001E-03 5044 0.102E-01 0.452E-01 RMM: 5 -0.325279165804E+03 0.13254E-02 -0.75628E-04 4608 0.733E-02 0.120E-01 RMM: 6 -0.325279172621E+03 -0.68176E-05 -0.22841E-04 3893 0.388E-02 0.129E-01 RMM: 7 -0.325279108463E+03 0.64159E-04 -0.94807E-05 3769 0.306E-02 0.842E-02 RMM: 8 -0.325279065256E+03 0.43206E-04 -0.24489E-05 2779 0.153E-02 0.303E-02 RMM: 9 -0.325279077632E+03 -0.12376E-04 -0.14761E-05 2506 0.110E-02 3879 T= 6395. E= 0.68762161E+03 F= 0.63471976E+03 E0= 0.66375457E+03 EK= 0.52902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324768528833E+03 0.51054E+00 -0.17174E-01 7956 0.238E+01 0.333E-01 RMM: 2 -0.324777818162E+03 -0.92893E-02 -0.91825E-02 4844 0.721E-01 0.677E-01 RMM: 3 -0.324774720674E+03 0.30975E-02 -0.10325E-02 5643 0.202E-01 0.253E-01 RMM: 4 -0.324775498941E+03 -0.77827E-03 -0.18106E-03 5135 0.111E-01 0.459E-01 RMM: 5 -0.324774115308E+03 0.13836E-02 -0.81362E-04 4604 0.763E-02 0.111E-01 RMM: 6 -0.324774160612E+03 -0.45304E-04 -0.21077E-04 3880 0.373E-02 0.142E-01 RMM: 7 -0.324774071962E+03 0.88649E-04 -0.10125E-04 3807 0.309E-02 0.888E-02 RMM: 8 -0.324774023739E+03 0.48223E-04 -0.31365E-05 2994 0.172E-02 0.288E-02 RMM: 9 -0.324774037575E+03 -0.13835E-04 -0.14718E-05 2516 0.111E-02 3880 T= 6293. E= 0.68766950E+03 F= 0.63560884E+03 E0= 0.66463632E+03 EK= 0.52061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324393771164E+03 0.38025E+00 -0.16413E-01 7848 0.236E+01 0.327E-01 RMM: 2 -0.324401400014E+03 -0.76288E-02 -0.78382E-02 4943 0.661E-01 0.635E-01 RMM: 3 -0.324398768385E+03 0.26316E-02 -0.84800E-03 5630 0.188E-01 0.257E-01 RMM: 4 -0.324399538826E+03 -0.77044E-03 -0.17297E-03 5033 0.108E-01 0.457E-01 RMM: 5 -0.324398233859E+03 0.13050E-02 -0.84293E-04 4608 0.782E-02 0.144E-01 RMM: 6 -0.324398191921E+03 0.41938E-04 -0.25730E-04 3902 0.414E-02 0.127E-01 RMM: 7 -0.324398145032E+03 0.46889E-04 -0.11380E-04 3836 0.338E-02 0.970E-02 RMM: 8 -0.324398085392E+03 0.59640E-04 -0.30492E-05 2960 0.171E-02 0.312E-02 RMM: 9 -0.324398095895E+03 -0.10503E-04 -0.15880E-05 2509 0.116E-02 3881 T= 6256. E= 0.68812068E+03 F= 0.63637011E+03 E0= 0.66539516E+03 EK= 0.51751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324216364845E+03 0.18172E+00 -0.16791E-01 8100 0.236E+01 0.333E-01 RMM: 2 -0.324225071650E+03 -0.87068E-02 -0.83159E-02 4982 0.678E-01 0.709E-01 RMM: 3 -0.324221691581E+03 0.33801E-02 -0.88593E-03 5621 0.193E-01 0.256E-01 RMM: 4 -0.324222505225E+03 -0.81364E-03 -0.18288E-03 5018 0.110E-01 0.457E-01 RMM: 5 -0.324221170674E+03 0.13346E-02 -0.85410E-04 4603 0.786E-02 0.137E-01 RMM: 6 -0.324221120519E+03 0.50155E-04 -0.20407E-04 3883 0.366E-02 0.114E-01 RMM: 7 -0.324221099307E+03 0.21212E-04 -0.11212E-04 3851 0.319E-02 0.103E-01 RMM: 8 -0.324221033255E+03 0.66052E-04 -0.41691E-05 3190 0.197E-02 0.298E-02 RMM: 9 -0.324221043517E+03 -0.10262E-04 -0.13720E-05 2510 0.107E-02 3882 T= 6303. E= 0.68907881E+03 F= 0.63693208E+03 E0= 0.66595956E+03 EK= 0.52147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324290514594E+03 -0.69481E-01 -0.16820E-01 8124 0.236E+01 0.339E-01 RMM: 2 -0.324298798164E+03 -0.82836E-02 -0.81424E-02 5077 0.664E-01 0.700E-01 RMM: 3 -0.324295541601E+03 0.32566E-02 -0.83384E-03 5692 0.185E-01 0.246E-01 RMM: 4 -0.324296429750E+03 -0.88815E-03 -0.17709E-03 4922 0.108E-01 0.469E-01 RMM: 5 -0.324295033933E+03 0.13958E-02 -0.83706E-04 4606 0.778E-02 0.141E-01 RMM: 6 -0.324294980567E+03 0.53366E-04 -0.22135E-04 3896 0.381E-02 0.115E-01 RMM: 7 -0.324294963733E+03 0.16834E-04 -0.10174E-04 3823 0.310E-02 3883 T= 6429. E= 0.69042784E+03 F= 0.63724106E+03 E0= 0.66627567E+03 EK= 0.53187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324643338735E+03 -0.34836E+00 -0.17290E-01 8196 0.238E+01 0.391E-01 RMM: 2 -0.324653399128E+03 -0.10060E-01 -0.98068E-02 5016 0.726E-01 0.775E-01 RMM: 3 -0.324649582957E+03 0.38162E-02 -0.10518E-02 5532 0.216E-01 0.325E-01 RMM: 4 -0.324650657461E+03 -0.10745E-02 -0.21676E-03 5071 0.115E-01 0.535E-01 RMM: 5 -0.324648721828E+03 0.19356E-02 -0.11535E-03 4612 0.913E-02 0.106E-01 RMM: 6 -0.324648819158E+03 -0.97331E-04 -0.25162E-04 3883 0.400E-02 0.165E-01 RMM: 7 -0.324648700755E+03 0.11840E-03 -0.11633E-04 3884 0.327E-02 0.990E-02 RMM: 8 -0.324648643086E+03 0.57669E-04 -0.41808E-05 3154 0.191E-02 0.375E-02 RMM: 9 -0.324648664030E+03 -0.20944E-04 -0.23292E-05 2624 0.138E-02 0.600E-02 RMM: 10 -0.324648650122E+03 0.13908E-04 -0.17697E-05 2524 0.135E-02 3884 T= 6596. E= 0.69183087E+03 F= 0.63726749E+03 E0= 0.66631150E+03 EK= 0.54563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325277812854E+03 -0.62915E+00 -0.18249E-01 7920 0.240E+01 0.313E-01 RMM: 2 -0.325289158969E+03 -0.11346E-01 -0.11215E-01 4950 0.762E-01 0.681E-01 RMM: 3 -0.325285895045E+03 0.32639E-02 -0.12048E-02 5748 0.216E-01 0.242E-01 RMM: 4 -0.325286534063E+03 -0.63902E-03 -0.16309E-03 4934 0.101E-01 0.423E-01 RMM: 5 -0.325285410071E+03 0.11240E-02 -0.65178E-04 4601 0.673E-02 0.149E-01 RMM: 6 -0.325285287347E+03 0.12272E-03 -0.18418E-04 3891 0.348E-02 0.706E-02 RMM: 7 -0.325285308548E+03 -0.21201E-04 -0.59276E-05 3396 0.233E-02 0.918E-02 RMM: 8 -0.325285253632E+03 0.54916E-04 -0.23321E-05 2740 0.156E-02 0.248E-02 RMM: 9 -0.325285253782E+03 -0.15005E-06 -0.76774E-06 2458 0.774E-03 3885 T= 6744. E= 0.69280041E+03 F= 0.63700896E+03 E0= 0.66606535E+03 EK= 0.55791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326172098268E+03 -0.88684E+00 -0.18795E-01 8484 0.241E+01 0.387E-01 RMM: 2 -0.326182303184E+03 -0.10205E-01 -0.10737E-01 5143 0.731E-01 0.700E-01 RMM: 3 -0.326179082929E+03 0.32203E-02 -0.10571E-02 5661 0.208E-01 0.314E-01 RMM: 4 -0.326179965436E+03 -0.88251E-03 -0.20838E-03 4979 0.114E-01 0.508E-01 RMM: 5 -0.326178274562E+03 0.16909E-02 -0.98365E-04 4609 0.834E-02 0.134E-01 RMM: 6 -0.326178222572E+03 0.51990E-04 -0.19364E-04 3897 0.347E-02 0.110E-01 RMM: 7 -0.326178218287E+03 0.42850E-05 -0.94186E-05 3799 0.283E-02 3886 T= 6814. E= 0.69286834E+03 F= 0.63649435E+03 E0= 0.66556297E+03 EK= 0.56374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327264198120E+03 -0.10860E+01 -0.20045E-01 8520 0.241E+01 0.411E-01 RMM: 2 -0.327278534355E+03 -0.14336E-01 -0.13069E-01 5039 0.808E-01 0.893E-01 RMM: 3 -0.327273000483E+03 0.55339E-02 -0.13810E-02 5604 0.242E-01 0.322E-01 RMM: 4 -0.327274182735E+03 -0.11823E-02 -0.24427E-03 5149 0.120E-01 0.554E-01 RMM: 5 -0.327272185371E+03 0.19974E-02 -0.11452E-03 4608 0.907E-02 0.143E-01 RMM: 6 -0.327272145395E+03 0.39976E-04 -0.23291E-04 3889 0.382E-02 0.127E-01 RMM: 7 -0.327272133065E+03 0.12331E-04 -0.11261E-04 3888 0.309E-02 3887 T= 6772. E= 0.69180686E+03 F= 0.63578245E+03 E0= 0.66486263E+03 EK= 0.56024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328481806529E+03 -0.12097E+01 -0.20317E-01 8688 0.239E+01 0.399E-01 RMM: 2 -0.328497070510E+03 -0.15264E-01 -0.13284E-01 5061 0.790E-01 0.932E-01 RMM: 3 -0.328490833817E+03 0.62367E-02 -0.13189E-02 5546 0.238E-01 0.308E-01 RMM: 4 -0.328492071423E+03 -0.12376E-02 -0.25550E-03 5232 0.124E-01 0.551E-01 RMM: 5 -0.328490133084E+03 0.19383E-02 -0.11336E-03 4604 0.907E-02 0.154E-01 RMM: 6 -0.328490035112E+03 0.97972E-04 -0.27228E-04 3913 0.420E-02 0.104E-01 RMM: 7 -0.328490061816E+03 -0.26703E-04 -0.95307E-05 3794 0.285E-02 0.121E-01 RMM: 8 -0.328489970236E+03 0.91579E-04 -0.40248E-05 3134 0.193E-02 0.349E-02 RMM: 9 -0.328489981610E+03 -0.11374E-04 -0.19858E-05 2572 0.126E-02 3888 T= 6626. E= 0.68977181E+03 F= 0.63495392E+03 E0= 0.66404579E+03 EK= 0.54818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329735944946E+03 -0.12460E+01 -0.21031E-01 8712 0.236E+01 0.364E-01 RMM: 2 -0.329751482508E+03 -0.15538E-01 -0.14899E-01 5002 0.827E-01 0.775E-01 RMM: 3 -0.329746756701E+03 0.47258E-02 -0.14252E-02 5604 0.240E-01 0.309E-01 RMM: 4 -0.329747703620E+03 -0.94692E-03 -0.23316E-03 5227 0.121E-01 0.510E-01 RMM: 5 -0.329746040478E+03 0.16631E-02 -0.92633E-04 4610 0.810E-02 0.151E-01 RMM: 6 -0.329745920472E+03 0.12001E-03 -0.22437E-04 3903 0.380E-02 0.828E-02 RMM: 7 -0.329745939322E+03 -0.18850E-04 -0.67626E-05 3509 0.246E-02 3889 T= 6425. E= 0.68724784E+03 F= 0.63409743E+03 E0= 0.66320117E+03 EK= 0.53150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330947544530E+03 -0.12016E+01 -0.19700E-01 9096 0.233E+01 0.446E-01 RMM: 2 -0.330959751143E+03 -0.12207E-01 -0.12762E-01 5114 0.759E-01 0.769E-01 RMM: 3 -0.330955696797E+03 0.40543E-02 -0.12832E-02 5482 0.239E-01 0.398E-01 RMM: 4 -0.330957119020E+03 -0.14222E-02 -0.25767E-03 5204 0.124E-01 0.630E-01 RMM: 5 -0.330954513791E+03 0.26052E-02 -0.13446E-03 4616 0.978E-02 0.144E-01 RMM: 6 -0.330954521238E+03 -0.74463E-05 -0.31755E-04 3930 0.447E-02 0.155E-01 RMM: 7 -0.330954427692E+03 0.93546E-04 -0.12185E-04 3879 0.332E-02 0.101E-01 RMM: 8 -0.330954368602E+03 0.59090E-04 -0.41607E-05 3156 0.189E-02 0.419E-02 RMM: 9 -0.330954395227E+03 -0.26626E-04 -0.27817E-05 2778 0.150E-02 0.700E-02 RMM: 10 -0.330954373183E+03 0.22044E-04 -0.20433E-05 2556 0.149E-02 0.218E-02 RMM: 11 -0.330954371521E+03 0.16621E-05 -0.35961E-06 2433 0.559E-03 3890 T= 6230. E= 0.68484114E+03 F= 0.63329968E+03 E0= 0.66241661E+03 EK= 0.51541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332029804804E+03 -0.10754E+01 -0.19187E-01 9036 0.231E+01 0.371E-01 RMM: 2 -0.332039960468E+03 -0.10156E-01 -0.12112E-01 5276 0.697E-01 0.489E-01 RMM: 3 -0.332037915383E+03 0.20451E-02 -0.91124E-03 5460 0.203E-01 0.433E-01 RMM: 4 -0.332037919305E+03 -0.39225E-05 -0.18853E-03 4995 0.109E-01 0.451E-01 RMM: 5 -0.332036575652E+03 0.13437E-02 -0.84122E-04 4604 0.762E-02 0.115E-01 RMM: 6 -0.332036566650E+03 0.90023E-05 -0.19214E-04 3885 0.351E-02 3891 T= 6096. E= 0.68306943E+03 F= 0.63263834E+03 E0= 0.66176977E+03 EK= 0.50431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332915003551E+03 -0.87843E+00 -0.18920E-01 9036 0.230E+01 0.494E-01 RMM: 2 -0.332940319468E+03 -0.25316E-01 -0.12275E-01 5317 0.719E-01 0.162E+00 RMM: 3 -0.332921258559E+03 0.19061E-01 -0.12677E-02 5383 0.259E-01 0.336E-01 RMM: 4 -0.332923020234E+03 -0.17617E-02 -0.36553E-03 5315 0.145E-01 0.627E-01 RMM: 5 -0.332920698692E+03 0.23215E-02 -0.13974E-03 4617 0.996E-02 0.256E-01 RMM: 6 -0.332920338571E+03 0.36012E-03 -0.44924E-04 4363 0.548E-02 0.122E-01 RMM: 7 -0.332920453613E+03 -0.11504E-03 -0.19958E-04 3880 0.378E-02 0.179E-01 RMM: 8 -0.332920250540E+03 0.20307E-03 -0.10893E-04 3798 0.311E-02 0.478E-02 RMM: 9 -0.332920257655E+03 -0.71145E-05 -0.25140E-05 2760 0.144E-02 3892 T= 6052. E= 0.68225244E+03 F= 0.63218261E+03 E0= 0.66133098E+03 EK= 0.50070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333533461621E+03 -0.61321E+00 -0.19259E-01 8868 0.231E+01 0.442E-01 RMM: 2 -0.333560654011E+03 -0.27192E-01 -0.13222E-01 5068 0.747E-01 0.162E+00 RMM: 3 -0.333541219263E+03 0.19435E-01 -0.14333E-02 5386 0.274E-01 0.309E-01 RMM: 4 -0.333542516256E+03 -0.12970E-02 -0.32813E-03 5322 0.135E-01 0.556E-01 RMM: 5 -0.333540788657E+03 0.17276E-02 -0.11720E-03 4604 0.936E-02 0.242E-01 RMM: 6 -0.333540408983E+03 0.37967E-03 -0.28515E-04 3908 0.440E-02 0.665E-02 RMM: 7 -0.333540475987E+03 -0.67003E-04 -0.11759E-04 3838 0.289E-02 0.122E-01 RMM: 8 -0.333540379812E+03 0.96174E-04 -0.55249E-05 3346 0.223E-02 0.269E-02 RMM: 9 -0.333540384734E+03 -0.49215E-05 -0.12030E-05 2502 0.995E-03 3893 T= 6103. E= 0.68248429E+03 F= 0.63199338E+03 E0= 0.66115852E+03 EK= 0.50491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333834595023E+03 -0.29422E+00 -0.19643E-01 8844 0.233E+01 0.454E-01 RMM: 2 -0.333855197069E+03 -0.20602E-01 -0.13033E-01 5190 0.753E-01 0.134E+00 RMM: 3 -0.333842201722E+03 0.12995E-01 -0.13160E-02 5411 0.253E-01 0.332E-01 RMM: 4 -0.333843352321E+03 -0.11506E-02 -0.32054E-03 5325 0.136E-01 0.551E-01 RMM: 5 -0.333841501623E+03 0.18507E-02 -0.12211E-03 4612 0.941E-02 0.215E-01 RMM: 6 -0.333841246676E+03 0.25495E-03 -0.28335E-04 3896 0.435E-02 0.104E-01 RMM: 7 -0.333841313930E+03 -0.67254E-04 -0.15271E-04 3881 0.338E-02 0.148E-01 RMM: 8 -0.333841173865E+03 0.14007E-03 -0.76149E-05 3522 0.254E-02 0.376E-02 RMM: 9 -0.333841178418E+03 -0.45531E-05 -0.18047E-05 2553 0.122E-02 3894 T= 6228. E= 0.68364588E+03 F= 0.63212217E+03 E0= 0.66130265E+03 EK= 0.51524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333779284425E+03 0.61889E-01 -0.20255E-01 8856 0.236E+01 0.404E-01 RMM: 2 -0.333794373853E+03 -0.15089E-01 -0.13496E-01 5179 0.762E-01 0.890E-01 RMM: 3 -0.333788124313E+03 0.62495E-02 -0.11994E-02 5502 0.233E-01 0.332E-01 RMM: 4 -0.333789257949E+03 -0.11336E-02 -0.24317E-03 5247 0.120E-01 0.551E-01 RMM: 5 -0.333787310449E+03 0.19475E-02 -0.11060E-03 4609 0.896E-02 0.155E-01 RMM: 6 -0.333787233633E+03 0.76816E-04 -0.24182E-04 3899 0.397E-02 0.116E-01 RMM: 7 -0.333787261454E+03 -0.27821E-04 -0.11173E-04 3853 0.294E-02 0.133E-01 RMM: 8 -0.333787146651E+03 0.11480E-03 -0.55242E-05 3361 0.217E-02 0.324E-02 RMM: 9 -0.333787155636E+03 -0.89853E-05 -0.18887E-05 2543 0.124E-02 3895 T= 6386. E= 0.68543208E+03 F= 0.63260131E+03 E0= 0.66179425E+03 EK= 0.52831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333365306410E+03 0.42184E+00 -0.20785E-01 8376 0.239E+01 0.394E-01 RMM: 2 -0.333385205604E+03 -0.19899E-01 -0.14971E-01 5150 0.822E-01 0.113E+00 RMM: 3 -0.333375643310E+03 0.95623E-02 -0.13674E-02 5536 0.243E-01 0.276E-01 RMM: 4 -0.333376601161E+03 -0.95785E-03 -0.27600E-03 5301 0.130E-01 0.500E-01 RMM: 5 -0.333374983020E+03 0.16181E-02 -0.11089E-03 4613 0.900E-02 0.154E-01 RMM: 6 -0.333374928412E+03 0.54608E-04 -0.24744E-04 3893 0.401E-02 0.130E-01 RMM: 7 -0.333374910901E+03 0.17511E-04 -0.12089E-04 3875 0.317E-02 3896 T= 6526. E= 0.68741925E+03 F= 0.63343272E+03 E0= 0.66263399E+03 EK= 0.53987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332637314783E+03 0.73761E+00 -0.20311E-01 8688 0.241E+01 0.409E-01 RMM: 2 -0.332653082659E+03 -0.15768E-01 -0.13882E-01 5267 0.790E-01 0.920E-01 RMM: 3 -0.332646776374E+03 0.63063E-02 -0.12386E-02 5540 0.225E-01 0.331E-01 RMM: 4 -0.332647816754E+03 -0.10404E-02 -0.26523E-03 5228 0.129E-01 0.551E-01 RMM: 5 -0.332645913346E+03 0.19034E-02 -0.12657E-03 4611 0.956E-02 0.174E-01 RMM: 6 -0.332645849781E+03 0.63565E-04 -0.32648E-04 3922 0.458E-02 0.151E-01 RMM: 7 -0.332645822888E+03 0.26893E-04 -0.16595E-04 3886 0.372E-02 0.138E-01 RMM: 8 -0.332645703221E+03 0.11967E-03 -0.68295E-05 3500 0.242E-02 0.404E-02 RMM: 9 -0.332645717915E+03 -0.14693E-04 -0.26409E-05 2738 0.147E-02 3897 T= 6602. E= 0.68919388E+03 F= 0.63457538E+03 E0= 0.66378012E+03 EK= 0.54618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331680571643E+03 0.96513E+00 -0.20569E-01 8148 0.242E+01 0.333E-01 RMM: 2 -0.331702379276E+03 -0.21808E-01 -0.16876E-01 5006 0.902E-01 0.108E+00 RMM: 3 -0.331693505653E+03 0.88736E-02 -0.16519E-02 5692 0.253E-01 0.241E-01 RMM: 4 -0.331693891618E+03 -0.38596E-03 -0.20701E-03 5207 0.112E-01 0.403E-01 RMM: 5 -0.331692903515E+03 0.98810E-03 -0.82202E-04 4604 0.769E-02 0.163E-01 RMM: 6 -0.331692823441E+03 0.80074E-04 -0.28791E-04 3903 0.439E-02 0.125E-01 RMM: 7 -0.331692851145E+03 -0.27704E-04 -0.12633E-04 3875 0.319E-02 0.144E-01 RMM: 8 -0.331692718833E+03 0.13231E-03 -0.62785E-05 3436 0.230E-02 0.311E-02 RMM: 9 -0.331692718339E+03 0.49388E-06 -0.10389E-05 2493 0.914E-03 3898 T= 6596. E= 0.69050558E+03 F= 0.63593758E+03 E0= 0.66514275E+03 EK= 0.54568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330644258320E+03 0.10485E+01 -0.18769E-01 8424 0.240E+01 0.383E-01 RMM: 2 -0.330660673741E+03 -0.16415E-01 -0.12485E-01 5259 0.778E-01 0.106E+00 RMM: 3 -0.330652655991E+03 0.80177E-02 -0.11359E-02 5563 0.221E-01 0.275E-01 RMM: 4 -0.330653471998E+03 -0.81601E-03 -0.24052E-03 5224 0.123E-01 0.484E-01 RMM: 5 -0.330652019859E+03 0.14521E-02 -0.11416E-03 4608 0.921E-02 0.178E-01 RMM: 6 -0.330651969457E+03 0.50402E-04 -0.34646E-04 3939 0.474E-02 0.162E-01 RMM: 7 -0.330651919344E+03 0.50113E-04 -0.17394E-04 3884 0.390E-02 0.139E-01 RMM: 8 -0.330651796377E+03 0.12297E-03 -0.63586E-05 3436 0.234E-02 0.387E-02 RMM: 9 -0.330651809363E+03 -0.12986E-04 -0.21801E-05 2585 0.134E-02 3899 T= 6524. E= 0.69135455E+03 F= 0.63738524E+03 E0= 0.66658869E+03 EK= 0.53969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329668922206E+03 0.98287E+00 -0.17691E-01 7992 0.238E+01 0.364E-01 RMM: 2 -0.329687268540E+03 -0.18346E-01 -0.12357E-01 5109 0.801E-01 0.118E+00 RMM: 3 -0.329677607895E+03 0.96606E-02 -0.12874E-02 5566 0.237E-01 0.277E-01 RMM: 4 -0.329677895127E+03 -0.28723E-03 -0.21155E-03 5065 0.112E-01 0.391E-01 RMM: 5 -0.329677035267E+03 0.85986E-03 -0.98867E-04 4608 0.853E-02 0.194E-01 RMM: 6 -0.329676911863E+03 0.12340E-03 -0.34677E-04 3932 0.484E-02 0.140E-01 RMM: 7 -0.329676938170E+03 -0.26307E-04 -0.16533E-04 3881 0.372E-02 0.155E-01 RMM: 8 -0.329676787109E+03 0.15106E-03 -0.80136E-05 3571 0.261E-02 0.432E-02 RMM: 9 -0.329676786362E+03 0.74736E-06 -0.16579E-05 2547 0.118E-02 3900 T= 6428. E= 0.69194671E+03 F= 0.63876587E+03 E0= 0.66796809E+03 EK= 0.53181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328899045935E+03 0.77774E+00 -0.16971E-01 7716 0.237E+01 0.389E-01 RMM: 2 -0.328916337877E+03 -0.17292E-01 -0.10829E-01 5065 0.757E-01 0.123E+00 RMM: 3 -0.328906019034E+03 0.10319E-01 -0.12004E-02 5474 0.236E-01 0.280E-01 RMM: 4 -0.328906765800E+03 -0.74677E-03 -0.24177E-03 5212 0.121E-01 0.461E-01 RMM: 5 -0.328905523037E+03 0.12428E-02 -0.10397E-03 4608 0.871E-02 0.208E-01 RMM: 6 -0.328905313738E+03 0.20930E-03 -0.32488E-04 3932 0.462E-02 0.126E-01 RMM: 7 -0.328905361728E+03 -0.47989E-04 -0.19368E-04 3889 0.390E-02 0.151E-01 RMM: 8 -0.328905214158E+03 0.14757E-03 -0.93404E-05 3705 0.287E-02 0.428E-02 RMM: 9 -0.328905212879E+03 0.12787E-05 -0.18192E-05 2584 0.125E-02 3901 T= 6360. E= 0.69255450E+03 F= 0.63994235E+03 E0= 0.66914514E+03 EK= 0.52612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328424627027E+03 0.48059E+00 -0.16895E-01 7608 0.236E+01 0.383E-01 RMM: 2 -0.328442511460E+03 -0.17884E-01 -0.10840E-01 5047 0.763E-01 0.126E+00 RMM: 3 -0.328431542446E+03 0.10969E-01 -0.11789E-02 5468 0.232E-01 0.279E-01 RMM: 4 -0.328432230657E+03 -0.68821E-03 -0.24861E-03 5157 0.123E-01 0.453E-01 RMM: 5 -0.328430966052E+03 0.12646E-02 -0.10005E-03 4608 0.848E-02 0.165E-01 RMM: 6 -0.328430881376E+03 0.84676E-04 -0.26183E-04 3892 0.418E-02 0.126E-01 RMM: 7 -0.328430883941E+03 -0.25654E-05 -0.12356E-04 3879 0.322E-02 3902 T= 6352. E= 0.69337243E+03 F= 0.64082040E+03 E0= 0.67002738E+03 EK= 0.52552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328286211075E+03 0.14467E+00 -0.17090E-01 8196 0.237E+01 0.421E-01 RMM: 2 -0.328297424933E+03 -0.11214E-01 -0.93907E-02 5178 0.707E-01 0.960E-01 RMM: 3 -0.328291501394E+03 0.59235E-02 -0.97513E-03 5476 0.214E-01 0.339E-01 RMM: 4 -0.328292701415E+03 -0.12000E-02 -0.26259E-03 5242 0.127E-01 0.557E-01 RMM: 5 -0.328290673557E+03 0.20279E-02 -0.11998E-03 4605 0.932E-02 0.166E-01 RMM: 6 -0.328290601932E+03 0.71625E-04 -0.27130E-04 3886 0.417E-02 0.138E-01 RMM: 7 -0.328290581873E+03 0.20059E-04 -0.14913E-04 3887 0.351E-02 0.127E-01 RMM: 8 -0.328290480627E+03 0.10125E-03 -0.65167E-05 3443 0.235E-02 0.392E-02 RMM: 9 -0.328290497831E+03 -0.17204E-04 -0.26175E-05 2737 0.145E-02 3903 T= 6415. E= 0.69442842E+03 F= 0.64136243E+03 E0= 0.67057806E+03 EK= 0.53066E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328462886043E+03 -0.17241E+00 -0.18552E-01 8508 0.239E+01 0.364E-01 RMM: 2 -0.328477452711E+03 -0.14567E-01 -0.11715E-01 5127 0.768E-01 0.987E-01 RMM: 3 -0.328470756123E+03 0.66966E-02 -0.12081E-02 5586 0.225E-01 0.281E-01 RMM: 4 -0.328471602685E+03 -0.84656E-03 -0.21052E-03 5035 0.112E-01 0.478E-01 RMM: 5 -0.328470148629E+03 0.14541E-02 -0.82273E-04 4602 0.753E-02 0.152E-01 RMM: 6 -0.328470028111E+03 0.12052E-03 -0.20980E-04 3892 0.376E-02 0.821E-02 RMM: 7 -0.328470083707E+03 -0.55596E-04 -0.80642E-05 3609 0.247E-02 0.124E-01 RMM: 8 -0.328469983135E+03 0.10057E-03 -0.42378E-05 3178 0.199E-02 0.333E-02 RMM: 9 -0.328469980999E+03 0.21364E-05 -0.11957E-05 2493 0.977E-03 3904 T= 6525. E= 0.69555899E+03 F= 0.64158191E+03 E0= 0.67081144E+03 EK= 0.53977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328915092350E+03 -0.44511E+00 -0.19814E-01 9072 0.242E+01 0.414E-01 RMM: 2 -0.328928129492E+03 -0.13037E-01 -0.11692E-01 5354 0.747E-01 0.921E-01 RMM: 3 -0.328922388114E+03 0.57414E-02 -0.10108E-02 5548 0.210E-01 0.330E-01 RMM: 4 -0.328923604689E+03 -0.12166E-02 -0.24405E-03 5177 0.122E-01 0.558E-01 RMM: 5 -0.328921532082E+03 0.20726E-02 -0.10986E-03 4608 0.887E-02 0.137E-01 RMM: 6 -0.328921508733E+03 0.23349E-04 -0.24904E-04 3901 0.396E-02 0.133E-01 RMM: 7 -0.328921499791E+03 0.89416E-05 -0.11769E-04 3872 0.301E-02 3905 T= 6639. E= 0.69645228E+03 F= 0.64152700E+03 E0= 0.67077513E+03 EK= 0.54925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329578517426E+03 -0.65701E+00 -0.21602E-01 9084 0.244E+01 0.427E-01 RMM: 2 -0.329594027313E+03 -0.15510E-01 -0.13404E-01 5315 0.794E-01 0.979E-01 RMM: 3 -0.329587399077E+03 0.66282E-02 -0.11642E-02 5469 0.232E-01 0.346E-01 RMM: 4 -0.329588544118E+03 -0.11450E-02 -0.26191E-03 5222 0.124E-01 0.564E-01 RMM: 5 -0.329586519987E+03 0.20241E-02 -0.11726E-03 4607 0.907E-02 0.160E-01 RMM: 6 -0.329586467697E+03 0.52290E-04 -0.26160E-04 3880 0.414E-02 0.137E-01 RMM: 7 -0.329586478356E+03 -0.10659E-04 -0.14334E-04 3892 0.326E-02 3906 T= 6709. E= 0.69676062E+03 F= 0.64125775E+03 E0= 0.67053134E+03 EK= 0.55503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330401934875E+03 -0.81547E+00 -0.23860E-01 9000 0.245E+01 0.408E-01 RMM: 2 -0.330420667657E+03 -0.18733E-01 -0.15141E-01 5288 0.836E-01 0.104E+00 RMM: 3 -0.330412462029E+03 0.82056E-02 -0.12893E-02 5445 0.243E-01 0.326E-01 RMM: 4 -0.330413419687E+03 -0.95766E-03 -0.26914E-03 5206 0.126E-01 0.510E-01 RMM: 5 -0.330411800401E+03 0.16193E-02 -0.10869E-03 4604 0.884E-02 0.199E-01 RMM: 6 -0.330411603703E+03 0.19670E-03 -0.31117E-04 3951 0.453E-02 0.110E-01 RMM: 7 -0.330411712268E+03 -0.10857E-03 -0.14126E-04 3887 0.322E-02 0.166E-01 RMM: 8 -0.330411536006E+03 0.17626E-03 -0.75452E-05 3575 0.255E-02 0.403E-02 RMM: 9 -0.330411542471E+03 -0.64654E-05 -0.22814E-05 2668 0.135E-02 3907 T= 6701. E= 0.69626449E+03 F= 0.64082998E+03 E0= 0.67013288E+03 EK= 0.55435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331349993483E+03 -0.93846E+00 -0.25145E-01 9096 0.244E+01 0.397E-01 RMM: 2 -0.331372395939E+03 -0.22402E-01 -0.15311E-01 5337 0.814E-01 0.128E+00 RMM: 3 -0.331360151914E+03 0.12244E-01 -0.12233E-02 5422 0.242E-01 0.241E-01 RMM: 4 -0.331361592899E+03 -0.14410E-02 -0.25299E-03 5248 0.121E-01 0.550E-01 RMM: 5 -0.331359710785E+03 0.18821E-02 -0.10319E-03 4589 0.855E-02 0.151E-01 RMM: 6 -0.331359631423E+03 0.79362E-04 -0.26923E-04 3893 0.419E-02 0.111E-01 RMM: 7 -0.331359666272E+03 -0.34849E-04 -0.95581E-05 3751 0.278E-02 0.132E-01 RMM: 8 -0.331359548879E+03 0.11739E-03 -0.50430E-05 3294 0.210E-02 0.306E-02 RMM: 9 -0.331359554610E+03 -0.57314E-05 -0.15069E-05 2526 0.109E-02 3908 T= 6614. E= 0.69499630E+03 F= 0.64028362E+03 E0= 0.66962016E+03 EK= 0.54713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332398035102E+03 -0.10385E+01 -0.26409E-01 9048 0.242E+01 0.402E-01 RMM: 2 -0.332414811667E+03 -0.16777E-01 -0.14815E-01 5589 0.786E-01 0.921E-01 RMM: 3 -0.332407920521E+03 0.68911E-02 -0.99280E-03 5421 0.217E-01 0.316E-01 RMM: 4 -0.332408991748E+03 -0.10712E-02 -0.26716E-03 5228 0.128E-01 0.529E-01 RMM: 5 -0.332407188807E+03 0.18029E-02 -0.12514E-03 4608 0.961E-02 0.152E-01 RMM: 6 -0.332407155644E+03 0.33163E-04 -0.25351E-04 3886 0.403E-02 0.142E-01 RMM: 7 -0.332407131086E+03 0.24558E-04 -0.13240E-04 3883 0.332E-02 0.128E-01 RMM: 8 -0.332407029084E+03 0.10200E-03 -0.58078E-05 3377 0.224E-02 0.375E-02 RMM: 9 -0.332407042686E+03 -0.13601E-04 -0.22538E-05 2630 0.134E-02 3909 T= 6479. E= 0.69324031E+03 F= 0.63964447E+03 E0= 0.66901808E+03 EK= 0.53596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333534574591E+03 -0.11275E+01 -0.26902E-01 8928 0.240E+01 0.408E-01 RMM: 2 -0.333553171196E+03 -0.18597E-01 -0.14615E-01 5603 0.781E-01 0.110E+00 RMM: 3 -0.333543972652E+03 0.91985E-02 -0.99771E-03 5539 0.212E-01 0.268E-01 RMM: 4 -0.333545325649E+03 -0.13530E-02 -0.26043E-03 5239 0.126E-01 0.550E-01 RMM: 5 -0.333543409064E+03 0.19166E-02 -0.11706E-03 4608 0.928E-02 0.153E-01 RMM: 6 -0.333543365994E+03 0.43070E-04 -0.27323E-04 3898 0.421E-02 0.135E-01 RMM: 7 -0.333543356522E+03 0.94722E-05 -0.11367E-04 3866 0.312E-02 3910 T= 6344. E= 0.69140588E+03 F= 0.63892438E+03 E0= 0.66833734E+03 EK= 0.52481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334759808748E+03 -0.12164E+01 -0.26629E-01 9036 0.238E+01 0.436E-01 RMM: 2 -0.334775026386E+03 -0.15218E-01 -0.14328E-01 5804 0.770E-01 0.882E-01 RMM: 3 -0.334769047371E+03 0.59790E-02 -0.90621E-03 5435 0.207E-01 0.359E-01 RMM: 4 -0.334770371768E+03 -0.13244E-02 -0.28301E-03 5165 0.134E-01 0.592E-01 RMM: 5 -0.334768091330E+03 0.22804E-02 -0.13590E-03 4608 0.994E-02 0.136E-01 RMM: 6 -0.334768192755E+03 -0.10143E-03 -0.29711E-04 3910 0.433E-02 0.189E-01 RMM: 7 -0.334768024231E+03 0.16852E-03 -0.14498E-04 3883 0.358E-02 0.103E-01 RMM: 8 -0.334767966490E+03 0.57740E-04 -0.53687E-05 3316 0.212E-02 0.448E-02 RMM: 9 -0.334767999182E+03 -0.32691E-04 -0.28531E-05 2793 0.153E-02 0.755E-02 RMM: 10 -0.334767973518E+03 0.25664E-04 -0.21140E-05 2563 0.150E-02 0.254E-02 RMM: 11 -0.334767971089E+03 0.24298E-05 -0.46878E-06 2438 0.646E-03 3911 T= 6255. E= 0.68986849E+03 F= 0.63812357E+03 E0= 0.66757764E+03 EK= 0.51745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336078516146E+03 -0.13105E+01 -0.25098E-01 9072 0.237E+01 0.375E-01 RMM: 2 -0.336092746551E+03 -0.14230E-01 -0.13618E-01 5643 0.762E-01 0.824E-01 RMM: 3 -0.336087565656E+03 0.51809E-02 -0.91267E-03 5549 0.202E-01 0.312E-01 RMM: 4 -0.336088471839E+03 -0.90618E-03 -0.21978E-03 5007 0.115E-01 0.507E-01 RMM: 5 -0.336086897656E+03 0.15742E-02 -0.10114E-03 4605 0.850E-02 0.175E-01 RMM: 6 -0.336086747775E+03 0.14988E-03 -0.27480E-04 3909 0.428E-02 0.976E-02 RMM: 7 -0.336086762666E+03 -0.14891E-04 -0.83452E-05 3663 0.273E-02 3912 T= 6240. E= 0.68885388E+03 F= 0.63723456E+03 E0= 0.66673064E+03 EK= 0.51619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337496443199E+03 -0.14097E+01 -0.23039E-01 9036 0.237E+01 0.452E-01 RMM: 2 -0.337508600725E+03 -0.12158E-01 -0.12231E-01 5788 0.724E-01 0.838E-01 RMM: 3 -0.337503761070E+03 0.48397E-02 -0.80569E-03 5450 0.194E-01 0.379E-01 RMM: 4 -0.337505131292E+03 -0.13702E-02 -0.27026E-03 5141 0.129E-01 0.615E-01 RMM: 5 -0.337502620685E+03 0.25106E-02 -0.14452E-03 4608 0.102E-01 0.122E-01 RMM: 6 -0.337502788340E+03 -0.16765E-03 -0.36011E-04 4069 0.483E-02 0.205E-01 RMM: 7 -0.337502608170E+03 0.18017E-03 -0.14053E-04 3870 0.344E-02 0.122E-01 RMM: 8 -0.337502518333E+03 0.89836E-04 -0.58675E-05 3397 0.216E-02 0.410E-02 RMM: 9 -0.337502548415E+03 -0.30082E-04 -0.32212E-05 2962 0.160E-02 0.733E-02 RMM: 10 -0.337502524258E+03 0.24157E-04 -0.21575E-05 2597 0.153E-02 0.227E-02 RMM: 11 -0.337502522311E+03 0.19470E-05 -0.37560E-06 2432 0.576E-03 3913 T= 6303. E= 0.68839196E+03 F= 0.63625226E+03 E0= 0.66578808E+03 EK= 0.52140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339002988709E+03 -0.15005E+01 -0.21434E-01 9156 0.238E+01 0.383E-01 RMM: 2 -0.339014690247E+03 -0.11702E-01 -0.12351E-01 5485 0.746E-01 0.711E-01 RMM: 3 -0.339011131382E+03 0.35589E-02 -0.93254E-03 5509 0.204E-01 0.357E-01 RMM: 4 -0.339011843423E+03 -0.71204E-03 -0.19911E-03 4929 0.110E-01 0.513E-01 RMM: 5 -0.339010201083E+03 0.16423E-02 -0.91770E-04 4590 0.791E-02 0.148E-01 RMM: 6 -0.339010137593E+03 0.63490E-04 -0.27474E-04 3900 0.425E-02 0.115E-01 RMM: 7 -0.339010070344E+03 0.67249E-04 -0.74712E-05 3552 0.266E-02 0.637E-02 RMM: 8 -0.339010049216E+03 0.21128E-04 -0.18391E-05 2578 0.129E-02 0.306E-02 RMM: 9 -0.339010060232E+03 -0.11016E-04 -0.13211E-05 2490 0.101E-02 3914 T= 6423. E= 0.68831147E+03 F= 0.63517981E+03 E0= 0.66475227E+03 EK= 0.53132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340579436010E+03 -0.15694E+01 -0.20039E-01 9096 0.240E+01 0.420E-01 RMM: 2 -0.340588757388E+03 -0.93214E-02 -0.10839E-01 5499 0.711E-01 0.667E-01 RMM: 3 -0.340586089454E+03 0.26679E-02 -0.82869E-03 5455 0.196E-01 0.410E-01 RMM: 4 -0.340586582916E+03 -0.49346E-03 -0.19223E-03 4881 0.108E-01 0.524E-01 RMM: 5 -0.340584796324E+03 0.17866E-02 -0.10089E-03 4606 0.832E-02 0.119E-01 RMM: 6 -0.340584890048E+03 -0.93724E-04 -0.29247E-04 3906 0.432E-02 0.172E-01 RMM: 7 -0.340584769334E+03 0.12071E-03 -0.11194E-04 3813 0.312E-02 0.109E-01 RMM: 8 -0.340584693404E+03 0.75929E-04 -0.45792E-05 3216 0.194E-02 0.343E-02 RMM: 9 -0.340584716378E+03 -0.22974E-04 -0.24503E-05 2686 0.141E-02 0.644E-02 RMM: 10 -0.340584697728E+03 0.18650E-04 -0.16635E-05 2529 0.134E-02 3915 T= 6557. E= 0.68828264E+03 F= 0.63404086E+03 E0= 0.66364485E+03 EK= 0.54242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342173973411E+03 -0.15893E+01 -0.19406E-01 8724 0.242E+01 0.413E-01 RMM: 2 -0.342182963727E+03 -0.89903E-02 -0.10920E-01 5207 0.734E-01 0.620E-01 RMM: 3 -0.342180802196E+03 0.21615E-02 -0.10013E-02 5582 0.209E-01 0.407E-01 RMM: 4 -0.342181200705E+03 -0.39851E-03 -0.19130E-03 4918 0.106E-01 0.520E-01 RMM: 5 -0.342179457021E+03 0.17437E-02 -0.10372E-03 4609 0.844E-02 0.127E-01 RMM: 6 -0.342179513093E+03 -0.56072E-04 -0.26794E-04 3894 0.414E-02 0.162E-01 RMM: 7 -0.342179384533E+03 0.12856E-03 -0.98806E-05 3787 0.296E-02 0.861E-02 RMM: 8 -0.342179340048E+03 0.44485E-04 -0.28561E-05 2896 0.157E-02 0.333E-02 RMM: 9 -0.342179359938E+03 -0.19890E-04 -0.22637E-05 2588 0.136E-02 3916 T= 6653. E= 0.68791815E+03 F= 0.63288289E+03 E0= 0.66251089E+03 EK= 0.55035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343729875493E+03 -0.15505E+01 -0.18201E-01 8700 0.243E+01 0.425E-01 RMM: 2 -0.343737864885E+03 -0.79894E-02 -0.87652E-02 5329 0.666E-01 0.761E-01 RMM: 3 -0.343734301392E+03 0.35635E-02 -0.76467E-03 5493 0.188E-01 0.369E-01 RMM: 4 -0.343735278887E+03 -0.97749E-03 -0.22338E-03 4974 0.119E-01 0.558E-01 RMM: 5 -0.343733236009E+03 0.20429E-02 -0.11145E-03 4608 0.882E-02 0.136E-01 RMM: 6 -0.343733240118E+03 -0.41085E-05 -0.31303E-04 3943 0.453E-02 0.145E-01 RMM: 7 -0.343733151434E+03 0.88684E-04 -0.98346E-05 3787 0.293E-02 0.923E-02 RMM: 8 -0.343733099420E+03 0.52014E-04 -0.29013E-05 2904 0.160E-02 0.334E-02 RMM: 9 -0.343733118791E+03 -0.19371E-04 -0.20834E-05 2563 0.129E-02 3917 T= 6668. E= 0.68693286E+03 F= 0.63176862E+03 E0= 0.66141215E+03 EK= 0.55164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345183168226E+03 -0.14501E+01 -0.17792E-01 8004 0.243E+01 0.421E-01 RMM: 2 -0.345190711056E+03 -0.75428E-02 -0.89460E-02 5177 0.681E-01 0.684E-01 RMM: 3 -0.345188095995E+03 0.26151E-02 -0.85176E-03 5602 0.188E-01 0.381E-01 RMM: 4 -0.345188734602E+03 -0.63861E-03 -0.21707E-03 5025 0.119E-01 0.529E-01 RMM: 5 -0.345186883090E+03 0.18515E-02 -0.10925E-03 4610 0.876E-02 0.117E-01 RMM: 6 -0.345186983147E+03 -0.10006E-03 -0.30820E-04 3929 0.447E-02 0.174E-01 RMM: 7 -0.345186826599E+03 0.15655E-03 -0.11121E-04 3847 0.316E-02 0.889E-02 RMM: 8 -0.345186778750E+03 0.47849E-04 -0.28630E-05 2881 0.157E-02 0.337E-02 RMM: 9 -0.345186798167E+03 -0.19418E-04 -0.22161E-05 2599 0.135E-02 3918 T= 6592. E= 0.68529441E+03 F= 0.63075966E+03 E0= 0.66040955E+03 EK= 0.54535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346500337972E+03 -0.13136E+01 -0.17072E-01 8220 0.241E+01 0.428E-01 RMM: 2 -0.346508076408E+03 -0.77384E-02 -0.74088E-02 5278 0.638E-01 0.862E-01 RMM: 3 -0.346503522080E+03 0.45543E-02 -0.74339E-03 5526 0.186E-01 0.335E-01 RMM: 4 -0.346504825843E+03 -0.13038E-02 -0.25095E-03 5096 0.127E-01 0.578E-01 RMM: 5 -0.346502626526E+03 0.21993E-02 -0.12631E-03 4604 0.954E-02 0.148E-01 RMM: 6 -0.346502623793E+03 0.27329E-05 -0.33430E-04 3959 0.471E-02 0.153E-01 RMM: 7 -0.346502532346E+03 0.91448E-04 -0.11199E-04 3870 0.318E-02 0.103E-01 RMM: 8 -0.346502467069E+03 0.65277E-04 -0.34027E-05 3043 0.173E-02 0.348E-02 RMM: 9 -0.346502483638E+03 -0.16569E-04 -0.21150E-05 2574 0.130E-02 3919 T= 6450. E= 0.68325756E+03 F= 0.62989605E+03 E0= 0.65954456E+03 EK= 0.53362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347669795289E+03 -0.11673E+01 -0.16691E-01 7704 0.238E+01 0.422E-01 RMM: 2 -0.347678295427E+03 -0.85001E-02 -0.86752E-02 5090 0.684E-01 0.801E-01 RMM: 3 -0.347674367244E+03 0.39282E-02 -0.92115E-03 5571 0.195E-01 0.338E-01 RMM: 4 -0.347675576521E+03 -0.12093E-02 -0.26033E-03 5180 0.130E-01 0.575E-01 RMM: 5 -0.347673395001E+03 0.21815E-02 -0.13158E-03 4612 0.980E-02 0.131E-01 RMM: 6 -0.347673457125E+03 -0.62124E-04 -0.33474E-04 3954 0.468E-02 0.169E-01 RMM: 7 -0.347673324283E+03 0.13284E-03 -0.12354E-04 3870 0.339E-02 0.988E-02 RMM: 8 -0.347673265736E+03 0.58547E-04 -0.31500E-05 2972 0.167E-02 0.351E-02 RMM: 9 -0.347673285150E+03 -0.19414E-04 -0.22999E-05 2621 0.137E-02 3920 T= 6294. E= 0.68125262E+03 F= 0.62918558E+03 E0= 0.65882550E+03 EK= 0.52067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348715794619E+03 -0.10425E+01 -0.16302E-01 7944 0.236E+01 0.414E-01 RMM: 2 -0.348722423342E+03 -0.66287E-02 -0.73481E-02 5130 0.635E-01 0.733E-01 RMM: 3 -0.348719324370E+03 0.30990E-02 -0.77518E-03 5544 0.184E-01 0.351E-01 RMM: 4 -0.348720473167E+03 -0.11488E-02 -0.24497E-03 5112 0.127E-01 0.573E-01 RMM: 5 -0.348718308815E+03 0.21644E-02 -0.13262E-03 4609 0.982E-02 0.130E-01 RMM: 6 -0.348718376296E+03 -0.67481E-04 -0.33578E-04 3971 0.473E-02 0.170E-01 RMM: 7 -0.348718220837E+03 0.15546E-03 -0.12880E-04 3872 0.350E-02 0.819E-02 RMM: 8 -0.348718184252E+03 0.36585E-04 -0.26393E-05 2819 0.155E-02 0.375E-02 RMM: 9 -0.348718203537E+03 -0.19286E-04 -0.21161E-05 2559 0.129E-02 3921 T= 6177. E= 0.67970862E+03 F= 0.62860831E+03 E0= 0.65823490E+03 EK= 0.51100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349665140834E+03 -0.94696E+00 -0.15423E-01 7740 0.234E+01 0.411E-01 RMM: 2 -0.349670674929E+03 -0.55341E-02 -0.67053E-02 5139 0.605E-01 0.679E-01 RMM: 3 -0.349668170846E+03 0.25041E-02 -0.68666E-03 5451 0.178E-01 0.364E-01 RMM: 4 -0.349669262027E+03 -0.10912E-02 -0.23483E-03 5070 0.124E-01 0.572E-01 RMM: 5 -0.349667110851E+03 0.21512E-02 -0.12841E-03 4612 0.969E-02 0.120E-01 RMM: 6 -0.349667188560E+03 -0.77710E-04 -0.30904E-04 3940 0.453E-02 0.167E-01 RMM: 7 -0.349667042019E+03 0.14654E-03 -0.12334E-04 3855 0.344E-02 0.854E-02 RMM: 8 -0.349667000867E+03 0.41151E-04 -0.26688E-05 2826 0.155E-02 0.364E-02 RMM: 9 -0.349667019731E+03 -0.18863E-04 -0.22009E-05 2568 0.132E-02 3922 T= 6139. E= 0.67891629E+03 F= 0.62813174E+03 E0= 0.65774208E+03 EK= 0.50785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350547605131E+03 -0.88060E+00 -0.15105E-01 7536 0.235E+01 0.409E-01 RMM: 2 -0.350551950993E+03 -0.43459E-02 -0.61491E-02 5180 0.581E-01 0.599E-01 RMM: 3 -0.350550316713E+03 0.16343E-02 -0.61937E-03 5416 0.172E-01 0.402E-01 RMM: 4 -0.350551078204E+03 -0.76149E-03 -0.21038E-03 4978 0.118E-01 0.552E-01 RMM: 5 -0.350549081627E+03 0.19966E-02 -0.11741E-03 4615 0.918E-02 0.122E-01 RMM: 6 -0.350549136156E+03 -0.54529E-04 -0.29170E-04 3932 0.442E-02 0.158E-01 RMM: 7 -0.350549018309E+03 0.11785E-03 -0.11298E-04 3846 0.325E-02 0.902E-02 RMM: 8 -0.350548970790E+03 0.47519E-04 -0.30029E-05 2917 0.165E-02 0.366E-02 RMM: 9 -0.350548985694E+03 -0.14904E-04 -0.20018E-05 2562 0.126E-02 3923 T= 6194. E= 0.67895988E+03 F= 0.62772290E+03 E0= 0.65731652E+03 EK= 0.51237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351381341790E+03 -0.83237E+00 -0.15516E-01 7500 0.236E+01 0.413E-01 RMM: 2 -0.351385487466E+03 -0.41457E-02 -0.60025E-02 5136 0.579E-01 0.610E-01 RMM: 3 -0.351383946772E+03 0.15407E-02 -0.63444E-03 5403 0.177E-01 0.414E-01 RMM: 4 -0.351384496789E+03 -0.55002E-03 -0.19042E-03 4951 0.111E-01 0.530E-01 RMM: 5 -0.351382660408E+03 0.18364E-02 -0.10080E-03 4612 0.847E-02 0.113E-01 RMM: 6 -0.351382726539E+03 -0.66131E-04 -0.25855E-04 3920 0.411E-02 0.155E-01 RMM: 7 -0.351382614154E+03 0.11238E-03 -0.10081E-04 3788 0.307E-02 0.927E-02 RMM: 8 -0.351382562567E+03 0.51587E-04 -0.33378E-05 3001 0.172E-02 0.346E-02 RMM: 9 -0.351382579812E+03 -0.17245E-04 -0.20790E-05 2577 0.130E-02 3924 T= 6327. E= 0.67970218E+03 F= 0.62735971E+03 E0= 0.65693845E+03 EK= 0.52342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352173287497E+03 -0.79072E+00 -0.15539E-01 7536 0.239E+01 0.420E-01 RMM: 2 -0.352179349939E+03 -0.60624E-02 -0.64032E-02 5137 0.599E-01 0.758E-01 RMM: 3 -0.352175939414E+03 0.34105E-02 -0.68950E-03 5395 0.184E-01 0.367E-01 RMM: 4 -0.352176793090E+03 -0.85368E-03 -0.22397E-03 5104 0.122E-01 0.532E-01 RMM: 5 -0.352174963047E+03 0.18300E-02 -0.10031E-03 4621 0.851E-02 0.137E-01 RMM: 6 -0.352174944927E+03 0.18119E-04 -0.23770E-04 3902 0.393E-02 0.131E-01 RMM: 7 -0.352174903002E+03 0.41926E-04 -0.92474E-05 3727 0.283E-02 0.110E-01 RMM: 8 -0.352174826949E+03 0.76053E-04 -0.42769E-05 3174 0.195E-02 0.323E-02 RMM: 9 -0.352174843954E+03 -0.17005E-04 -0.20390E-05 2586 0.128E-02 3925 T= 6499. E= 0.68079744E+03 F= 0.62703276E+03 E0= 0.65660090E+03 EK= 0.53765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352922193403E+03 -0.74737E+00 -0.15584E-01 7596 0.242E+01 0.427E-01 RMM: 2 -0.352928388825E+03 -0.61954E-02 -0.65273E-02 5190 0.611E-01 0.793E-01 RMM: 3 -0.352924851774E+03 0.35371E-02 -0.71065E-03 5394 0.189E-01 0.361E-01 RMM: 4 -0.352925805095E+03 -0.95332E-03 -0.22112E-03 5068 0.119E-01 0.537E-01 RMM: 5 -0.352923898329E+03 0.19068E-02 -0.10639E-03 4611 0.877E-02 0.145E-01 RMM: 6 -0.352923856553E+03 0.41776E-04 -0.24879E-04 3920 0.403E-02 0.129E-01 RMM: 7 -0.352923835397E+03 0.21157E-04 -0.95590E-05 3740 0.287E-02 0.121E-01 RMM: 8 -0.352923744354E+03 0.91042E-04 -0.45254E-05 3214 0.199E-02 0.327E-02 RMM: 9 -0.352923759331E+03 -0.14976E-04 -0.20779E-05 2584 0.129E-02 3926 T= 6651. E= 0.68176443E+03 F= 0.62674369E+03 E0= 0.65630753E+03 EK= 0.55021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353627613821E+03 -0.70387E+00 -0.15903E-01 7536 0.244E+01 0.429E-01 RMM: 2 -0.353635492772E+03 -0.78790E-02 -0.68555E-02 5199 0.623E-01 0.892E-01 RMM: 3 -0.353630495097E+03 0.49977E-02 -0.74904E-03 5387 0.194E-01 0.355E-01 RMM: 4 -0.353631787100E+03 -0.12920E-02 -0.25440E-03 5123 0.129E-01 0.577E-01 RMM: 5 -0.353629630822E+03 0.21563E-02 -0.11162E-03 4611 0.896E-02 0.156E-01 RMM: 6 -0.353629556629E+03 0.74193E-04 -0.24357E-04 3898 0.397E-02 0.120E-01 RMM: 7 -0.353629553707E+03 0.29219E-05 -0.10252E-04 3792 0.286E-02 3927 T= 6727. E= 0.68214257E+03 F= 0.62649386E+03 E0= 0.65606061E+03 EK= 0.55649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354301888427E+03 -0.67233E+00 -0.15748E-01 7704 0.243E+01 0.458E-01 RMM: 2 -0.354308056168E+03 -0.61677E-02 -0.68083E-02 5276 0.626E-01 0.792E-01 RMM: 3 -0.354304666813E+03 0.33894E-02 -0.77359E-03 5364 0.201E-01 0.395E-01 RMM: 4 -0.354306147667E+03 -0.14809E-02 -0.23344E-03 5083 0.120E-01 0.633E-01 RMM: 5 -0.354303444752E+03 0.27029E-02 -0.13148E-03 4610 0.973E-02 0.119E-01 RMM: 6 -0.354303597748E+03 -0.15300E-03 -0.30272E-04 3911 0.440E-02 0.200E-01 RMM: 7 -0.354303405161E+03 0.19259E-03 -0.12880E-04 3856 0.340E-02 0.107E-01 RMM: 8 -0.354303338387E+03 0.66774E-04 -0.54603E-05 3364 0.207E-02 0.385E-02 RMM: 9 -0.354303371964E+03 -0.33577E-04 -0.27233E-05 2774 0.150E-02 0.738E-02 RMM: 10 -0.354303345044E+03 0.26919E-04 -0.17424E-05 2535 0.138E-02 0.220E-02 RMM: 11 -0.354303343529E+03 0.15157E-05 -0.38114E-06 2428 0.576E-03 3928 T= 6699. E= 0.68169057E+03 F= 0.62627508E+03 E0= 0.65585364E+03 EK= 0.55415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354963648784E+03 -0.66030E+00 -0.15762E-01 7812 0.241E+01 0.401E-01 RMM: 2 -0.354972194782E+03 -0.85460E-02 -0.76231E-02 5110 0.654E-01 0.872E-01 RMM: 3 -0.354967407497E+03 0.47873E-02 -0.86731E-03 5387 0.206E-01 0.323E-01 RMM: 4 -0.354968698095E+03 -0.12906E-02 -0.22487E-03 5118 0.120E-01 0.563E-01 RMM: 5 -0.354966714856E+03 0.19832E-02 -0.93027E-04 4597 0.816E-02 0.172E-01 RMM: 6 -0.354966574222E+03 0.14063E-03 -0.30009E-04 3936 0.443E-02 0.995E-02 RMM: 7 -0.354966528814E+03 0.45408E-04 -0.71617E-05 3530 0.266E-02 0.657E-02 RMM: 8 -0.354966503693E+03 0.25121E-04 -0.18953E-05 2620 0.135E-02 0.253E-02 RMM: 9 -0.354966512907E+03 -0.92136E-05 -0.10806E-05 2483 0.918E-03 3929 T= 6580. E= 0.68050461E+03 F= 0.62606913E+03 E0= 0.65566648E+03 EK= 0.54435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355644214097E+03 -0.67771E+00 -0.15214E-01 7692 0.238E+01 0.425E-01 RMM: 2 -0.355649198154E+03 -0.49841E-02 -0.65287E-02 5297 0.597E-01 0.647E-01 RMM: 3 -0.355647161080E+03 0.20371E-02 -0.67326E-03 5357 0.183E-01 0.401E-01 RMM: 4 -0.355648106504E+03 -0.94542E-03 -0.20573E-03 4952 0.115E-01 0.573E-01 RMM: 5 -0.355645955791E+03 0.21507E-02 -0.11195E-03 4612 0.893E-02 0.135E-01 RMM: 6 -0.355645982938E+03 -0.27147E-04 -0.32500E-04 3944 0.462E-02 0.157E-01 RMM: 7 -0.355645876672E+03 0.10627E-03 -0.12610E-04 3848 0.344E-02 0.973E-02 RMM: 8 -0.355645821829E+03 0.54843E-04 -0.33520E-05 3014 0.174E-02 0.371E-02 RMM: 9 -0.355645848316E+03 -0.26486E-04 -0.22988E-05 2609 0.136E-02 0.690E-02 RMM: 10 -0.355645826692E+03 0.21623E-04 -0.17774E-05 2536 0.135E-02 0.189E-02 RMM: 11 -0.355645825930E+03 0.76293E-06 -0.34751E-06 2429 0.550E-03 3930 T= 6420. E= 0.67896050E+03 F= 0.62585154E+03 E0= 0.65547222E+03 EK= 0.53109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356362425744E+03 -0.71660E+00 -0.15171E-01 7836 0.235E+01 0.409E-01 RMM: 2 -0.356367915234E+03 -0.54895E-02 -0.66577E-02 5258 0.600E-01 0.675E-01 RMM: 3 -0.356365442922E+03 0.24723E-02 -0.67620E-03 5401 0.182E-01 0.379E-01 RMM: 4 -0.356366480252E+03 -0.10373E-02 -0.22397E-03 4983 0.122E-01 0.573E-01 RMM: 5 -0.356364393181E+03 0.20871E-02 -0.11552E-03 4608 0.907E-02 0.146E-01 RMM: 6 -0.356364394109E+03 -0.92819E-06 -0.29819E-04 3922 0.440E-02 0.153E-01 RMM: 7 -0.356364280039E+03 0.11407E-03 -0.11546E-04 3862 0.333E-02 0.830E-02 RMM: 8 -0.356364241420E+03 0.38619E-04 -0.25077E-05 2791 0.154E-02 0.371E-02 RMM: 9 -0.356364254301E+03 -0.12881E-04 -0.19326E-05 2536 0.124E-02 3931 T= 6277. E= 0.67752863E+03 F= 0.62559989E+03 E0= 0.65524746E+03 EK= 0.51929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357128958616E+03 -0.76472E+00 -0.15110E-01 7956 0.233E+01 0.411E-01 RMM: 2 -0.357133791953E+03 -0.48333E-02 -0.64983E-02 5251 0.592E-01 0.616E-01 RMM: 3 -0.357131944770E+03 0.18472E-02 -0.67665E-03 5380 0.183E-01 0.392E-01 RMM: 4 -0.357132759419E+03 -0.81465E-03 -0.20291E-03 4895 0.114E-01 0.543E-01 RMM: 5 -0.357130836039E+03 0.19234E-02 -0.11190E-03 4618 0.896E-02 0.143E-01 RMM: 6 -0.357130803187E+03 0.32852E-04 -0.26382E-04 3931 0.415E-02 0.133E-01 RMM: 7 -0.357130775758E+03 0.27429E-04 -0.11120E-04 3804 0.316E-02 0.120E-01 RMM: 8 -0.357130686020E+03 0.89738E-04 -0.43096E-05 3175 0.198E-02 0.336E-02 RMM: 9 -0.357130705166E+03 -0.19147E-04 -0.21320E-05 2589 0.131E-02 3932 T= 6200. E= 0.67659113E+03 F= 0.62530396E+03 E0= 0.65497800E+03 EK= 0.51287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357935066726E+03 -0.80438E+00 -0.15383E-01 7908 0.232E+01 0.410E-01 RMM: 2 -0.357940267858E+03 -0.52011E-02 -0.68619E-02 5233 0.593E-01 0.615E-01 RMM: 3 -0.357938449061E+03 0.18188E-02 -0.63660E-03 5428 0.173E-01 0.430E-01 RMM: 4 -0.357939018573E+03 -0.56951E-03 -0.23196E-03 4967 0.125E-01 0.534E-01 RMM: 5 -0.357937160510E+03 0.18581E-02 -0.11433E-03 4609 0.903E-02 0.128E-01 RMM: 6 -0.357937174776E+03 -0.14266E-04 -0.25398E-04 3916 0.404E-02 0.142E-01 RMM: 7 -0.357937109257E+03 0.65519E-04 -0.10045E-04 3825 0.301E-02 0.108E-01 RMM: 8 -0.357937037371E+03 0.71886E-04 -0.38143E-05 3106 0.184E-02 0.336E-02 RMM: 9 -0.357937053993E+03 -0.16622E-04 -0.20975E-05 2578 0.130E-02 3933 T= 6210. E= 0.67633960E+03 F= 0.62496912E+03 E0= 0.65466829E+03 EK= 0.51370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358757330022E+03 -0.82029E+00 -0.15385E-01 7740 0.232E+01 0.421E-01 RMM: 2 -0.358763420460E+03 -0.60904E-02 -0.68341E-02 5279 0.604E-01 0.742E-01 RMM: 3 -0.358760278115E+03 0.31423E-02 -0.68639E-03 5406 0.183E-01 0.372E-01 RMM: 4 -0.358761432712E+03 -0.11546E-02 -0.23845E-03 4935 0.123E-01 0.575E-01 RMM: 5 -0.358759302015E+03 0.21307E-02 -0.12406E-03 4613 0.942E-02 0.162E-01 RMM: 6 -0.358759216283E+03 0.85732E-04 -0.25445E-04 3913 0.404E-02 0.125E-01 RMM: 7 -0.358759218656E+03 -0.23730E-05 -0.11414E-04 3837 0.310E-02 3934 T= 6301. E= 0.67674531E+03 F= 0.62461631E+03 E0= 0.65433719E+03 EK= 0.52129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359561170649E+03 -0.80195E+00 -0.15948E-01 7860 0.234E+01 0.466E-01 RMM: 2 -0.359567668565E+03 -0.64979E-02 -0.68930E-02 5309 0.604E-01 0.825E-01 RMM: 3 -0.359563882439E+03 0.37861E-02 -0.72343E-03 5402 0.191E-01 0.415E-01 RMM: 4 -0.359565344602E+03 -0.14622E-02 -0.28597E-03 5067 0.135E-01 0.640E-01 RMM: 5 -0.359562616374E+03 0.27282E-02 -0.15527E-03 4609 0.106E-01 0.131E-01 RMM: 6 -0.359562670137E+03 -0.53763E-04 -0.27075E-04 3924 0.414E-02 0.165E-01 RMM: 7 -0.359562582493E+03 0.87645E-04 -0.12359E-04 3872 0.325E-02 0.123E-01 RMM: 8 -0.359562490041E+03 0.92451E-04 -0.61487E-05 3419 0.225E-02 0.392E-02 RMM: 9 -0.359562519125E+03 -0.29084E-04 -0.28929E-05 2857 0.152E-02 0.720E-02 RMM: 10 -0.359562497211E+03 0.21915E-04 -0.19666E-05 2545 0.146E-02 0.239E-02 RMM: 11 -0.359562495055E+03 0.21559E-05 -0.37289E-06 2428 0.572E-03 3935 T= 6442. E= 0.67757204E+03 F= 0.62427773E+03 E0= 0.65401483E+03 EK= 0.53294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360306311699E+03 -0.74381E+00 -0.16296E-01 7824 0.236E+01 0.390E-01 RMM: 2 -0.360313451961E+03 -0.71403E-02 -0.74279E-02 5249 0.632E-01 0.756E-01 RMM: 3 -0.360309965367E+03 0.34866E-02 -0.76182E-03 5408 0.192E-01 0.332E-01 RMM: 4 -0.360310996570E+03 -0.10312E-02 -0.19780E-03 4905 0.112E-01 0.532E-01 RMM: 5 -0.360309222893E+03 0.17737E-02 -0.86677E-04 4615 0.784E-02 0.164E-01 RMM: 6 -0.360309080263E+03 0.14263E-03 -0.24040E-04 3913 0.391E-02 0.842E-02 RMM: 7 -0.360309065967E+03 0.14296E-04 -0.61104E-05 3441 0.239E-02 3936 T= 6581. E= 0.67843491E+03 F= 0.62399028E+03 E0= 0.65373920E+03 EK= 0.54445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360964476110E+03 -0.65540E+00 -0.17079E-01 7704 0.238E+01 0.471E-01 RMM: 2 -0.360972537548E+03 -0.80614E-02 -0.77032E-02 5224 0.651E-01 0.905E-01 RMM: 3 -0.360967760700E+03 0.47768E-02 -0.84857E-03 5428 0.204E-01 0.389E-01 RMM: 4 -0.360969408607E+03 -0.16479E-02 -0.29447E-03 5187 0.136E-01 0.647E-01 RMM: 5 -0.360966649731E+03 0.27589E-02 -0.14933E-03 4618 0.104E-01 0.160E-01 RMM: 6 -0.360966596351E+03 0.53380E-04 -0.29011E-04 3928 0.432E-02 0.141E-01 RMM: 7 -0.360966614089E+03 -0.17738E-04 -0.14003E-04 3874 0.335E-02 3937 T= 6665. E= 0.67892462E+03 F= 0.62378703E+03 E0= 0.65354191E+03 EK= 0.55138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361509553520E+03 -0.54296E+00 -0.17676E-01 7560 0.238E+01 0.421E-01 RMM: 2 -0.361517347688E+03 -0.77942E-02 -0.83156E-02 5177 0.665E-01 0.748E-01 RMM: 3 -0.361514151079E+03 0.31966E-02 -0.82560E-03 5409 0.194E-01 0.390E-01 RMM: 4 -0.361515438031E+03 -0.12870E-02 -0.26014E-03 5056 0.130E-01 0.601E-01 RMM: 5 -0.361513083887E+03 0.23541E-02 -0.13163E-03 4615 0.965E-02 0.133E-01 RMM: 6 -0.361513118458E+03 -0.34572E-04 -0.27949E-04 3908 0.423E-02 0.157E-01 RMM: 7 -0.361513038009E+03 0.80450E-04 -0.12730E-04 3868 0.337E-02 0.110E-01 RMM: 8 -0.361512966060E+03 0.71949E-04 -0.42827E-05 3184 0.193E-02 0.371E-02 RMM: 9 -0.361512987989E+03 -0.21930E-04 -0.24380E-05 2636 0.141E-02 0.622E-02 RMM: 10 -0.361512976052E+03 0.11937E-04 -0.17848E-05 2518 0.133E-02 3938 T= 6659. E= 0.67878183E+03 F= 0.62369222E+03 E0= 0.65344650E+03 EK= 0.55090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361934938442E+03 -0.42195E+00 -0.16803E-01 7332 0.237E+01 0.379E-01 RMM: 2 -0.361943336678E+03 -0.83982E-02 -0.80879E-02 5194 0.670E-01 0.803E-01 RMM: 3 -0.361939384000E+03 0.39527E-02 -0.84379E-03 5467 0.195E-01 0.299E-01 RMM: 4 -0.361940609707E+03 -0.12257E-02 -0.20185E-03 4999 0.114E-01 0.542E-01 RMM: 5 -0.361938746817E+03 0.18629E-02 -0.94156E-04 4603 0.824E-02 0.165E-01 RMM: 6 -0.361938613705E+03 0.13311E-03 -0.27083E-04 3924 0.422E-02 0.950E-02 RMM: 7 -0.361938598923E+03 0.14783E-04 -0.89529E-05 3756 0.289E-02 3939 T= 6565. E= 0.67802738E+03 F= 0.62371787E+03 E0= 0.65346984E+03 EK= 0.54310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362241606859E+03 -0.30299E+00 -0.16052E-01 7584 0.234E+01 0.472E-01 RMM: 2 -0.362248639162E+03 -0.70323E-02 -0.68992E-02 5277 0.623E-01 0.881E-01 RMM: 3 -0.362244150850E+03 0.44883E-02 -0.70725E-03 5378 0.189E-01 0.398E-01 RMM: 4 -0.362245888838E+03 -0.17380E-02 -0.32502E-03 5041 0.147E-01 0.669E-01 RMM: 5 -0.362242930763E+03 0.29581E-02 -0.16506E-03 4623 0.109E-01 0.124E-01 RMM: 6 -0.362243047503E+03 -0.11674E-03 -0.33267E-04 3984 0.464E-02 0.190E-01 RMM: 7 -0.362242894340E+03 0.15316E-03 -0.15135E-04 3871 0.371E-02 0.119E-01 RMM: 8 -0.362242811979E+03 0.82361E-04 -0.52532E-05 3328 0.208E-02 0.409E-02 RMM: 9 -0.362242841727E+03 -0.29748E-04 -0.30959E-05 2862 0.159E-02 0.737E-02 RMM: 10 -0.362242817366E+03 0.24362E-04 -0.21290E-05 2561 0.148E-02 0.227E-02 RMM: 11 -0.362242815707E+03 0.16588E-05 -0.40873E-06 2425 0.598E-03 3940 T= 6417. E= 0.67695586E+03 F= 0.62386652E+03 E0= 0.65361238E+03 EK= 0.53089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362421186903E+03 -0.17837E+00 -0.16114E-01 7572 0.232E+01 0.359E-01 RMM: 2 -0.362428796292E+03 -0.76094E-02 -0.80981E-02 4949 0.677E-01 0.674E-01 RMM: 3 -0.362426096557E+03 0.26997E-02 -0.86427E-03 5464 0.196E-01 0.298E-01 RMM: 4 -0.362427092007E+03 -0.99545E-03 -0.20385E-03 5090 0.117E-01 0.515E-01 RMM: 5 -0.362425427730E+03 0.16643E-02 -0.95566E-04 4609 0.829E-02 0.143E-01 RMM: 6 -0.362425376118E+03 0.51612E-04 -0.25435E-04 3919 0.412E-02 0.119E-01 RMM: 7 -0.362425337802E+03 0.38316E-04 -0.10521E-04 3835 0.318E-02 0.948E-02 RMM: 8 -0.362425282344E+03 0.55458E-04 -0.24116E-05 2741 0.154E-02 0.282E-02 RMM: 9 -0.362425288874E+03 -0.65297E-05 -0.14046E-05 2474 0.109E-02 3941 T= 6269. E= 0.67599871E+03 F= 0.62413886E+03 E0= 0.65387981E+03 EK= 0.51860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362475398466E+03 -0.50116E-01 -0.15434E-01 7812 0.230E+01 0.421E-01 RMM: 2 -0.362482111540E+03 -0.67131E-02 -0.63506E-02 5221 0.600E-01 0.831E-01 RMM: 3 -0.362477999633E+03 0.41119E-02 -0.66324E-03 5394 0.182E-01 0.342E-01 RMM: 4 -0.362479454971E+03 -0.14553E-02 -0.26102E-03 5112 0.130E-01 0.598E-01 RMM: 5 -0.362477138202E+03 0.23168E-02 -0.12875E-03 4620 0.968E-02 0.132E-01 RMM: 6 -0.362477130136E+03 0.80659E-05 -0.25887E-04 3928 0.412E-02 0.135E-01 RMM: 7 -0.362477106987E+03 0.23149E-04 -0.11024E-04 3809 0.314E-02 0.125E-01 RMM: 8 -0.362477009243E+03 0.97744E-04 -0.47565E-05 3268 0.204E-02 0.340E-02 RMM: 9 -0.362477025509E+03 -0.16266E-04 -0.20678E-05 2556 0.130E-02 3942 T= 6167. E= 0.67555751E+03 F= 0.62454247E+03 E0= 0.65427979E+03 EK= 0.51015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362375351031E+03 0.10166E+00 -0.15465E-01 8004 0.229E+01 0.404E-01 RMM: 2 -0.362382844320E+03 -0.74933E-02 -0.67534E-02 5100 0.619E-01 0.834E-01 RMM: 3 -0.362378399502E+03 0.44448E-02 -0.72514E-03 5381 0.190E-01 0.305E-01 RMM: 4 -0.362379612156E+03 -0.12127E-02 -0.23744E-03 5151 0.126E-01 0.548E-01 RMM: 5 -0.362377722209E+03 0.18899E-02 -0.10359E-03 4615 0.864E-02 0.143E-01 RMM: 6 -0.362377676858E+03 0.45351E-04 -0.23303E-04 3918 0.389E-02 0.122E-01 RMM: 7 -0.362377665862E+03 0.10997E-04 -0.10744E-04 3837 0.309E-02 3943 T= 6140. E= 0.67589045E+03 F= 0.62509480E+03 E0= 0.65483155E+03 EK= 0.50796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362092820425E+03 0.28486E+00 -0.15388E-01 7968 0.230E+01 0.459E-01 RMM: 2 -0.362100236992E+03 -0.74166E-02 -0.69899E-02 5134 0.634E-01 0.890E-01 RMM: 3 -0.362095711198E+03 0.45258E-02 -0.81709E-03 5384 0.207E-01 0.394E-01 RMM: 4 -0.362097392707E+03 -0.16815E-02 -0.29034E-03 5179 0.134E-01 0.651E-01 RMM: 5 -0.362094589575E+03 0.28031E-02 -0.15094E-03 4613 0.105E-01 0.132E-01 RMM: 6 -0.362094629800E+03 -0.40225E-04 -0.25499E-04 3904 0.403E-02 0.160E-01 RMM: 7 -0.362094542752E+03 0.87047E-04 -0.12677E-04 3869 0.333E-02 0.117E-01 RMM: 8 -0.362094462562E+03 0.80191E-04 -0.57302E-05 3384 0.218E-02 0.378E-02 RMM: 9 -0.362094490318E+03 -0.27756E-04 -0.24581E-05 2663 0.141E-02 0.700E-02 RMM: 10 -0.362094470508E+03 0.19809E-04 -0.17389E-05 2522 0.136E-02 3944 T= 6194. E= 0.67706773E+03 F= 0.62582500E+03 E0= 0.65556611E+03 EK= 0.51243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361585512524E+03 0.50898E+00 -0.15434E-01 7896 0.232E+01 0.354E-01 RMM: 2 -0.361591805345E+03 -0.62928E-02 -0.68232E-02 5200 0.616E-01 0.667E-01 RMM: 3 -0.361589154428E+03 0.26509E-02 -0.67536E-03 5465 0.178E-01 0.292E-01 RMM: 4 -0.361589999217E+03 -0.84479E-03 -0.15989E-03 4775 0.101E-01 0.484E-01 RMM: 5 -0.361588530147E+03 0.14691E-02 -0.74021E-04 4601 0.721E-02 0.136E-01 RMM: 6 -0.361588444097E+03 0.86050E-04 -0.17565E-04 3893 0.340E-02 0.798E-02 RMM: 7 -0.361588448108E+03 -0.40117E-05 -0.53523E-05 3331 0.221E-02 3945 T= 6309. E= 0.67896431E+03 F= 0.62676885E+03 E0= 0.65651750E+03 EK= 0.52195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360819144712E+03 0.76930E+00 -0.15895E-01 8052 0.235E+01 0.452E-01 RMM: 2 -0.360827006761E+03 -0.78620E-02 -0.72216E-02 5317 0.637E-01 0.901E-01 RMM: 3 -0.360822156969E+03 0.48498E-02 -0.74924E-03 5388 0.198E-01 0.374E-01 RMM: 4 -0.360823778083E+03 -0.16211E-02 -0.27500E-03 5111 0.130E-01 0.635E-01 RMM: 5 -0.360821126447E+03 0.26516E-02 -0.13605E-03 4610 0.985E-02 0.138E-01 RMM: 6 -0.360821115836E+03 0.10612E-04 -0.24256E-04 3896 0.396E-02 0.140E-01 RMM: 7 -0.360821089729E+03 0.26107E-04 -0.11077E-04 3874 0.299E-02 0.132E-01 RMM: 8 -0.360820983420E+03 0.10631E-03 -0.53564E-05 3350 0.210E-02 0.348E-02 RMM: 9 -0.360821005641E+03 -0.22221E-04 -0.25550E-05 2728 0.143E-02 0.643E-02 RMM: 10 -0.360820989312E+03 0.16329E-04 -0.15539E-05 2517 0.131E-02 3946 T= 6446. E= 0.68128975E+03 F= 0.62796294E+03 E0= 0.65772311E+03 EK= 0.53327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359764800974E+03 0.10562E+01 -0.16862E-01 7884 0.238E+01 0.350E-01 RMM: 2 -0.359772287772E+03 -0.74868E-02 -0.86513E-02 5114 0.683E-01 0.586E-01 RMM: 3 -0.359770294371E+03 0.19934E-02 -0.83553E-03 5657 0.191E-01 0.313E-01 RMM: 4 -0.359770620808E+03 -0.32644E-03 -0.13824E-03 4765 0.913E-02 0.423E-01 RMM: 5 -0.359769518318E+03 0.11025E-02 -0.63395E-04 4607 0.664E-02 0.120E-01 RMM: 6 -0.359769485187E+03 0.33131E-04 -0.16575E-04 3878 0.329E-02 0.100E-01 RMM: 7 -0.359769457777E+03 0.27410E-04 -0.57681E-05 3383 0.231E-02 0.796E-02 RMM: 8 -0.359769419923E+03 0.37854E-04 -0.20526E-05 2594 0.142E-02 0.259E-02 RMM: 9 -0.359769427203E+03 -0.72803E-05 -0.11521E-05 2465 0.933E-03 3947 T= 6556. E= 0.68366328E+03 F= 0.62942952E+03 E0= 0.65920304E+03 EK= 0.54234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358437104210E+03 0.13323E+01 -0.17295E-01 8340 0.239E+01 0.386E-01 RMM: 2 -0.358445060461E+03 -0.79563E-02 -0.81962E-02 5280 0.664E-01 0.734E-01 RMM: 3 -0.358441657273E+03 0.34032E-02 -0.72647E-03 5555 0.186E-01 0.314E-01 RMM: 4 -0.358442812707E+03 -0.11554E-02 -0.18408E-03 4897 0.107E-01 0.546E-01 RMM: 5 -0.358440910531E+03 0.19022E-02 -0.92527E-04 4608 0.809E-02 0.138E-01 RMM: 6 -0.358440860072E+03 0.50459E-04 -0.23203E-04 3896 0.390E-02 0.114E-01 RMM: 7 -0.358440845341E+03 0.14731E-04 -0.84153E-05 3686 0.271E-02 3948 T= 6598. E= 0.68574747E+03 F= 0.63116252E+03 E0= 0.66094896E+03 EK= 0.54585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356874597541E+03 0.15663E+01 -0.17821E-01 8268 0.240E+01 0.399E-01 RMM: 2 -0.356885247846E+03 -0.10650E-01 -0.95785E-02 5102 0.719E-01 0.866E-01 RMM: 3 -0.356880307770E+03 0.49401E-02 -0.94493E-03 5536 0.215E-01 0.304E-01 RMM: 4 -0.356881482260E+03 -0.11745E-02 -0.22387E-03 5112 0.117E-01 0.545E-01 RMM: 5 -0.356879600853E+03 0.18814E-02 -0.11427E-03 4609 0.908E-02 0.141E-01 RMM: 6 -0.356879612432E+03 -0.11579E-04 -0.25145E-04 3904 0.408E-02 0.152E-01 RMM: 7 -0.356879568773E+03 0.43659E-04 -0.12207E-04 3880 0.321E-02 0.129E-01 RMM: 8 -0.356879468629E+03 0.10014E-03 -0.53606E-05 3337 0.214E-02 0.395E-02 RMM: 9 -0.356879486083E+03 -0.17454E-04 -0.25042E-05 2701 0.141E-02 3949 T= 6560. E= 0.68738955E+03 F= 0.63311942E+03 E0= 0.66291600E+03 EK= 0.54270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355158567250E+03 0.17209E+01 -0.18397E-01 8472 0.239E+01 0.321E-01 RMM: 2 -0.355169729041E+03 -0.11162E-01 -0.93627E-02 5100 0.711E-01 0.852E-01 RMM: 3 -0.355164792216E+03 0.49368E-02 -0.87016E-03 5536 0.203E-01 0.239E-01 RMM: 4 -0.355165526574E+03 -0.73436E-03 -0.16551E-03 4947 0.102E-01 0.431E-01 RMM: 5 -0.355164395081E+03 0.11315E-02 -0.71521E-04 4603 0.716E-02 0.156E-01 RMM: 6 -0.355164291211E+03 0.10387E-03 -0.23611E-04 3897 0.401E-02 0.964E-02 RMM: 7 -0.355164297134E+03 -0.59229E-05 -0.76763E-05 3604 0.265E-02 3950 T= 6462. E= 0.68868303E+03 F= 0.63522293E+03 E0= 0.66502556E+03 EK= 0.53460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353391495484E+03 0.17728E+01 -0.19100E-01 8124 0.237E+01 0.387E-01 RMM: 2 -0.353403871962E+03 -0.12376E-01 -0.10909E-01 5045 0.772E-01 0.878E-01 RMM: 3 -0.353398711897E+03 0.51601E-02 -0.10755E-02 5606 0.221E-01 0.303E-01 RMM: 4 -0.353399600106E+03 -0.88821E-03 -0.22993E-03 5165 0.120E-01 0.509E-01 RMM: 5 -0.353397957750E+03 0.16424E-02 -0.11883E-03 4608 0.931E-02 0.147E-01 RMM: 6 -0.353398012178E+03 -0.54428E-04 -0.30057E-04 3922 0.448E-02 0.178E-01 RMM: 7 -0.353397917490E+03 0.94688E-04 -0.15768E-04 3885 0.370E-02 0.132E-01 RMM: 8 -0.353397810360E+03 0.10713E-03 -0.69910E-05 3501 0.241E-02 0.398E-02 RMM: 9 -0.353397831683E+03 -0.21323E-04 -0.25581E-05 2684 0.145E-02 0.663E-02 RMM: 10 -0.353397816791E+03 0.14893E-04 -0.18411E-05 2521 0.134E-02 3951 T= 6350. E= 0.68990263E+03 F= 0.63737143E+03 E0= 0.66717334E+03 EK= 0.52531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351680722132E+03 0.17171E+01 -0.18037E-01 8088 0.235E+01 0.288E-01 RMM: 2 -0.351691170151E+03 -0.10448E-01 -0.99048E-02 5156 0.724E-01 0.685E-01 RMM: 3 -0.351687786794E+03 0.33834E-02 -0.87404E-03 5787 0.190E-01 0.214E-01 RMM: 4 -0.351688196115E+03 -0.40932E-03 -0.13264E-03 4797 0.929E-02 0.368E-01 RMM: 5 -0.351687380646E+03 0.81547E-03 -0.64779E-04 4598 0.691E-02 0.140E-01 RMM: 6 -0.351687349808E+03 0.30838E-04 -0.21050E-04 3893 0.376E-02 0.124E-01 RMM: 7 -0.351687325385E+03 0.24423E-04 -0.89079E-05 3701 0.287E-02 0.108E-01 RMM: 8 -0.351687253702E+03 0.71683E-04 -0.28890E-05 2951 0.167E-02 0.275E-02 RMM: 9 -0.351687257041E+03 -0.33388E-05 -0.10494E-05 2467 0.909E-03 3952 T= 6274. E= 0.69136088E+03 F= 0.63945749E+03 E0= 0.66925475E+03 EK= 0.51903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350116837806E+03 0.15704E+01 -0.17561E-01 8160 0.234E+01 0.352E-01 RMM: 2 -0.350127825319E+03 -0.10988E-01 -0.93664E-02 5336 0.690E-01 0.851E-01 RMM: 3 -0.350122669237E+03 0.51561E-02 -0.74341E-03 5561 0.184E-01 0.250E-01 RMM: 4 -0.350123604840E+03 -0.93560E-03 -0.18285E-03 4868 0.107E-01 0.478E-01 RMM: 5 -0.350122177120E+03 0.14277E-02 -0.88198E-04 4607 0.797E-02 0.138E-01 RMM: 6 -0.350122151343E+03 0.25777E-04 -0.24336E-04 3893 0.400E-02 0.128E-01 RMM: 7 -0.350122143819E+03 0.75236E-05 -0.97427E-05 3835 0.292E-02 3953 T= 6271. E= 0.69327165E+03 F= 0.64139051E+03 E0= 0.67117815E+03 EK= 0.51881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348756287756E+03 0.13659E+01 -0.16790E-01 7788 0.235E+01 0.365E-01 RMM: 2 -0.348766853408E+03 -0.10566E-01 -0.91071E-02 5316 0.695E-01 0.856E-01 RMM: 3 -0.348761934436E+03 0.49190E-02 -0.84148E-03 5535 0.197E-01 0.283E-01 RMM: 4 -0.348762801602E+03 -0.86717E-03 -0.17641E-03 4783 0.103E-01 0.479E-01 RMM: 5 -0.348761316238E+03 0.14854E-02 -0.85972E-04 4604 0.779E-02 0.126E-01 RMM: 6 -0.348761384938E+03 -0.68700E-04 -0.25889E-04 3899 0.412E-02 0.166E-01 RMM: 7 -0.348761305472E+03 0.79465E-04 -0.12241E-04 3883 0.324E-02 0.125E-01 RMM: 8 -0.348761212177E+03 0.93295E-04 -0.52050E-05 3328 0.208E-02 0.362E-02 RMM: 9 -0.348761233019E+03 -0.20841E-04 -0.23070E-05 2621 0.136E-02 0.615E-02 RMM: 10 -0.348761221673E+03 0.11346E-04 -0.16738E-05 2519 0.131E-02 3954 T= 6352. E= 0.69566220E+03 F= 0.64311037E+03 E0= 0.67288571E+03 EK= 0.52552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347625958249E+03 0.11353E+01 -0.16801E-01 7800 0.238E+01 0.300E-01 RMM: 2 -0.347637470811E+03 -0.11513E-01 -0.10202E-01 5095 0.732E-01 0.789E-01 RMM: 3 -0.347633172622E+03 0.42982E-02 -0.98270E-03 5668 0.200E-01 0.217E-01 RMM: 4 -0.347633795508E+03 -0.62289E-03 -0.14140E-03 4810 0.927E-02 0.402E-01 RMM: 5 -0.347632788842E+03 0.10067E-02 -0.58082E-04 4597 0.641E-02 0.131E-01 RMM: 6 -0.347632701788E+03 0.87054E-04 -0.16476E-04 3884 0.330E-02 0.731E-02 RMM: 7 -0.347632722574E+03 -0.20786E-04 -0.49031E-05 3254 0.204E-02 0.955E-02 RMM: 8 -0.347632664659E+03 0.57915E-04 -0.23965E-05 2677 0.157E-02 0.228E-02 RMM: 9 -0.347632665614E+03 -0.95528E-06 -0.80588E-06 2449 0.773E-03 3955 T= 6497. E= 0.69833688E+03 F= 0.64458802E+03 E0= 0.67435212E+03 EK= 0.53749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346730579801E+03 0.90208E+00 -0.17326E-01 8184 0.241E+01 0.359E-01 RMM: 2 -0.346742138726E+03 -0.11559E-01 -0.10506E-01 5140 0.747E-01 0.816E-01 RMM: 3 -0.346737675504E+03 0.44632E-02 -0.10158E-02 5513 0.210E-01 0.274E-01 RMM: 4 -0.346738647860E+03 -0.97236E-03 -0.17538E-03 4880 0.102E-01 0.491E-01 RMM: 5 -0.346737124090E+03 0.15238E-02 -0.75106E-04 4604 0.718E-02 0.142E-01 RMM: 6 -0.346737040641E+03 0.83448E-04 -0.20656E-04 3891 0.364E-02 0.985E-02 RMM: 7 -0.346737077677E+03 -0.37035E-04 -0.87909E-05 3751 0.260E-02 0.125E-01 RMM: 8 -0.346736976639E+03 0.10104E-03 -0.42438E-05 3163 0.195E-02 0.325E-02 RMM: 9 -0.346736985106E+03 -0.84675E-05 -0.17800E-05 2527 0.117E-02 3956 T= 6658. E= 0.70089993E+03 F= 0.64582317E+03 E0= 0.67557755E+03 EK= 0.55077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346055580526E+03 0.68140E+00 -0.17549E-01 8184 0.244E+01 0.348E-01 RMM: 2 -0.346069962978E+03 -0.14382E-01 -0.11029E-01 5149 0.768E-01 0.101E+00 RMM: 3 -0.346063091564E+03 0.68714E-02 -0.10750E-02 5609 0.214E-01 0.237E-01 RMM: 4 -0.346063851377E+03 -0.75981E-03 -0.18312E-03 4903 0.104E-01 0.436E-01 RMM: 5 -0.346062664399E+03 0.11870E-02 -0.70708E-04 4602 0.701E-02 0.148E-01 RMM: 6 -0.346062560245E+03 0.10415E-03 -0.17851E-04 3891 0.340E-02 0.886E-02 RMM: 7 -0.346062621296E+03 -0.61051E-04 -0.88766E-05 3694 0.252E-02 0.132E-01 RMM: 8 -0.346062512987E+03 0.10831E-03 -0.50207E-05 3289 0.213E-02 0.321E-02 RMM: 9 -0.346062517698E+03 -0.47111E-05 -0.15319E-05 2503 0.109E-02 3957 T= 6773. E= 0.70286064E+03 F= 0.64682907E+03 E0= 0.67657686E+03 EK= 0.56032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345592942265E+03 0.46957E+00 -0.18378E-01 7920 0.245E+01 0.358E-01 RMM: 2 -0.345612330020E+03 -0.19388E-01 -0.12781E-01 5047 0.823E-01 0.123E+00 RMM: 3 -0.345601947689E+03 0.10382E-01 -0.13375E-02 5513 0.245E-01 0.235E-01 RMM: 4 -0.345602755715E+03 -0.80803E-03 -0.20958E-03 5027 0.110E-01 0.443E-01 RMM: 5 -0.345601600133E+03 0.11556E-02 -0.69345E-04 4609 0.680E-02 0.173E-01 RMM: 6 -0.345601440051E+03 0.16008E-03 -0.20616E-04 3894 0.364E-02 0.868E-02 RMM: 7 -0.345601509870E+03 -0.69819E-04 -0.10480E-04 3820 0.274E-02 0.135E-01 RMM: 8 -0.345601391651E+03 0.11822E-03 -0.56080E-05 3360 0.223E-02 0.313E-02 RMM: 9 -0.345601397041E+03 -0.53900E-05 -0.15272E-05 2515 0.109E-02 3958 T= 6795. E= 0.70383234E+03 F= 0.64761625E+03 E0= 0.67736158E+03 EK= 0.56216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345348209078E+03 0.25318E+00 -0.18438E-01 8076 0.244E+01 0.344E-01 RMM: 2 -0.345365827323E+03 -0.17618E-01 -0.12328E-01 5118 0.801E-01 0.113E+00 RMM: 3 -0.345356888506E+03 0.89388E-02 -0.11830E-02 5551 0.226E-01 0.229E-01 RMM: 4 -0.345357565605E+03 -0.67710E-03 -0.18964E-03 4905 0.106E-01 0.418E-01 RMM: 5 -0.345356517012E+03 0.10486E-02 -0.70501E-04 4603 0.698E-02 0.163E-01 RMM: 6 -0.345356386623E+03 0.13039E-03 -0.20135E-04 3898 0.359E-02 0.920E-02 RMM: 7 -0.345356457496E+03 -0.70873E-04 -0.10504E-04 3785 0.278E-02 0.140E-01 RMM: 8 -0.345356334267E+03 0.12323E-03 -0.54356E-05 3338 0.221E-02 0.321E-02 RMM: 9 -0.345356338753E+03 -0.44866E-05 -0.14583E-05 2507 0.106E-02 3959 T= 6714. E= 0.70372812E+03 F= 0.64818510E+03 E0= 0.67793241E+03 EK= 0.55543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345333957286E+03 0.22377E-01 -0.17794E-01 7896 0.241E+01 0.339E-01 RMM: 2 -0.345352037814E+03 -0.18081E-01 -0.12262E-01 5101 0.792E-01 0.116E+00 RMM: 3 -0.345342588143E+03 0.94497E-02 -0.11949E-02 5581 0.227E-01 0.212E-01 RMM: 4 -0.345343278666E+03 -0.69052E-03 -0.18785E-03 4940 0.106E-01 0.420E-01 RMM: 5 -0.345342253498E+03 0.10252E-02 -0.69072E-04 4589 0.685E-02 0.163E-01 RMM: 6 -0.345342145078E+03 0.10842E-03 -0.21650E-04 3894 0.374E-02 0.106E-01 RMM: 7 -0.345342177759E+03 -0.32681E-04 -0.10560E-04 3807 0.290E-02 0.127E-01 RMM: 8 -0.345342073842E+03 0.10392E-03 -0.52334E-05 3314 0.216E-02 0.305E-02 RMM: 9 -0.345342081881E+03 -0.80392E-05 -0.14321E-05 2514 0.105E-02 3960 T= 6562. E= 0.70280911E+03 F= 0.64852367E+03 E0= 0.67827737E+03 EK= 0.54285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345568218595E+03 -0.22614E+00 -0.17045E-01 7836 0.237E+01 0.328E-01 RMM: 2 -0.345584619842E+03 -0.16401E-01 -0.11738E-01 5024 0.775E-01 0.106E+00 RMM: 3 -0.345576538168E+03 0.80817E-02 -0.11320E-02 5626 0.219E-01 0.215E-01 RMM: 4 -0.345577123984E+03 -0.58582E-03 -0.17725E-03 4934 0.103E-01 0.406E-01 RMM: 5 -0.345576150188E+03 0.97380E-03 -0.75773E-04 4590 0.736E-02 0.149E-01 RMM: 6 -0.345576074615E+03 0.75573E-04 -0.20477E-04 3901 0.365E-02 0.110E-01 RMM: 7 -0.345576103127E+03 -0.28512E-04 -0.10459E-04 3763 0.288E-02 0.131E-01 RMM: 8 -0.345575997332E+03 0.10579E-03 -0.50047E-05 3281 0.212E-02 0.321E-02 RMM: 9 -0.345576003050E+03 -0.57177E-05 -0.13945E-05 2503 0.104E-02 3961 T= 6398. E= 0.70154883E+03 F= 0.64861628E+03 E0= 0.67838136E+03 EK= 0.52933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346059036969E+03 -0.48304E+00 -0.16400E-01 7824 0.234E+01 0.329E-01 RMM: 2 -0.346073920558E+03 -0.14884E-01 -0.10783E-01 5075 0.740E-01 0.103E+00 RMM: 3 -0.346066507751E+03 0.74128E-02 -0.10383E-02 5611 0.210E-01 0.201E-01 RMM: 4 -0.346067203010E+03 -0.69526E-03 -0.17681E-03 4934 0.104E-01 0.418E-01 RMM: 5 -0.346066167726E+03 0.10353E-02 -0.73226E-04 4588 0.716E-02 0.147E-01 RMM: 6 -0.346066101424E+03 0.66302E-04 -0.19823E-04 3899 0.357E-02 0.112E-01 RMM: 7 -0.346066100659E+03 0.76450E-06 -0.96586E-05 3738 0.284E-02 3962 T= 6281. E= 0.70041773E+03 F= 0.64845530E+03 E0= 0.67823645E+03 EK= 0.51962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346794564428E+03 -0.72846E+00 -0.16497E-01 8004 0.232E+01 0.368E-01 RMM: 2 -0.346809190898E+03 -0.14626E-01 -0.10348E-01 5125 0.727E-01 0.107E+00 RMM: 3 -0.346801464431E+03 0.77265E-02 -0.10286E-02 5570 0.213E-01 0.270E-01 RMM: 4 -0.346802165882E+03 -0.70145E-03 -0.20478E-03 4982 0.110E-01 0.452E-01 RMM: 5 -0.346800912796E+03 0.12531E-02 -0.90688E-04 4592 0.805E-02 0.152E-01 RMM: 6 -0.346800857403E+03 0.55393E-04 -0.21980E-04 3881 0.376E-02 0.126E-01 RMM: 7 -0.346800874101E+03 -0.16698E-04 -0.11901E-04 3889 0.302E-02 3963 T= 6247. E= 0.69972756E+03 F= 0.64805134E+03 E0= 0.67785464E+03 EK= 0.51676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347740770693E+03 -0.93991E+00 -0.17472E-01 7980 0.232E+01 0.349E-01 RMM: 2 -0.347758263131E+03 -0.17492E-01 -0.13067E-01 4882 0.819E-01 0.107E+00 RMM: 3 -0.347750420360E+03 0.78428E-02 -0.13921E-02 5592 0.243E-01 0.266E-01 RMM: 4 -0.347750890227E+03 -0.46987E-03 -0.20488E-03 5090 0.107E-01 0.408E-01 RMM: 5 -0.347750011147E+03 0.87908E-03 -0.76009E-04 4593 0.721E-02 0.204E-01 RMM: 6 -0.347749767195E+03 0.24395E-03 -0.25428E-04 3922 0.411E-02 0.801E-02 RMM: 7 -0.347749858045E+03 -0.90850E-04 -0.10301E-04 3756 0.273E-02 0.141E-01 RMM: 8 -0.347749734951E+03 0.12309E-03 -0.53857E-05 3342 0.220E-02 0.386E-02 RMM: 9 -0.347749735009E+03 -0.58375E-07 -0.16069E-05 2521 0.114E-02 3964 T= 6301. E= 0.69956114E+03 F= 0.64743338E+03 E0= 0.67726404E+03 EK= 0.52128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348859684106E+03 -0.11099E+01 -0.17272E-01 8016 0.234E+01 0.337E-01 RMM: 2 -0.348877501517E+03 -0.17817E-01 -0.11787E-01 5086 0.751E-01 0.115E+00 RMM: 3 -0.348867931292E+03 0.95702E-02 -0.11404E-02 5468 0.222E-01 0.195E-01 RMM: 4 -0.348868876368E+03 -0.94508E-03 -0.17222E-03 4892 0.977E-02 0.450E-01 RMM: 5 -0.348867584970E+03 0.12914E-02 -0.65183E-04 4583 0.668E-02 0.107E-01 RMM: 6 -0.348867553257E+03 0.31713E-04 -0.13866E-04 3875 0.293E-02 0.881E-02 RMM: 7 -0.348867548295E+03 0.49625E-05 -0.55110E-05 3343 0.206E-02 3965 T= 6422. E= 0.69977202E+03 F= 0.64664508E+03 E0= 0.67650720E+03 EK= 0.53127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350096533477E+03 -0.12290E+01 -0.16963E-01 8112 0.236E+01 0.373E-01 RMM: 2 -0.350109861570E+03 -0.13328E-01 -0.10180E-01 5231 0.712E-01 0.100E+00 RMM: 3 -0.350103107398E+03 0.67542E-02 -0.96820E-03 5539 0.209E-01 0.277E-01 RMM: 4 -0.350104025590E+03 -0.91819E-03 -0.20707E-03 4981 0.110E-01 0.483E-01 RMM: 5 -0.350102556571E+03 0.14690E-02 -0.79863E-04 4596 0.730E-02 0.153E-01 RMM: 6 -0.350102473233E+03 0.83337E-04 -0.19988E-04 3885 0.357E-02 0.112E-01 RMM: 7 -0.350102496933E+03 -0.23699E-04 -0.11072E-04 3865 0.283E-02 0.130E-01 RMM: 8 -0.350102390393E+03 0.10654E-03 -0.60890E-05 3420 0.223E-02 0.329E-02 RMM: 9 -0.350102404566E+03 -0.14173E-04 -0.21876E-05 2604 0.133E-02 3966 T= 6563. E= 0.70003002E+03 F= 0.64573762E+03 E0= 0.67563375E+03 EK= 0.54292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351402441954E+03 -0.13001E+01 -0.17757E-01 8184 0.238E+01 0.347E-01 RMM: 2 -0.351416826377E+03 -0.14384E-01 -0.10008E-01 5203 0.712E-01 0.106E+00 RMM: 3 -0.351408906956E+03 0.79194E-02 -0.94959E-03 5562 0.205E-01 0.231E-01 RMM: 4 -0.351409739052E+03 -0.83210E-03 -0.18524E-03 4880 0.104E-01 0.441E-01 RMM: 5 -0.351408544353E+03 0.11947E-02 -0.67362E-04 4562 0.675E-02 0.148E-01 RMM: 6 -0.351408423213E+03 0.12114E-03 -0.16704E-04 3897 0.331E-02 0.722E-02 RMM: 7 -0.351408479465E+03 -0.56252E-04 -0.75173E-05 3562 0.234E-02 0.119E-01 RMM: 8 -0.351408390692E+03 0.88772E-04 -0.41128E-05 3142 0.198E-02 0.281E-02 RMM: 9 -0.351408394672E+03 -0.39802E-05 -0.12564E-05 2487 0.986E-03 3967 T= 6669. E= 0.69992608E+03 F= 0.64475735E+03 E0= 0.67468706E+03 EK= 0.55169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352748861707E+03 -0.13405E+01 -0.17782E-01 8136 0.239E+01 0.339E-01 RMM: 2 -0.352759485180E+03 -0.10623E-01 -0.91914E-02 5347 0.672E-01 0.824E-01 RMM: 3 -0.352754724226E+03 0.47610E-02 -0.75983E-03 5642 0.181E-01 0.251E-01 RMM: 4 -0.352755603197E+03 -0.87897E-03 -0.15775E-03 4724 0.984E-02 0.462E-01 RMM: 5 -0.352754216357E+03 0.13868E-02 -0.66462E-04 4583 0.664E-02 0.118E-01 RMM: 6 -0.352754203833E+03 0.12524E-04 -0.18465E-04 3879 0.340E-02 3968 T= 6697. E= 0.69914131E+03 F= 0.64373704E+03 E0= 0.67369706E+03 EK= 0.55404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354119469707E+03 -0.13653E+01 -0.17908E-01 8244 0.238E+01 0.487E-01 RMM: 2 -0.354159227191E+03 -0.39757E-01 -0.10107E-01 5184 0.753E-01 0.226E+00 RMM: 3 -0.354124831514E+03 0.34396E-01 -0.18605E-02 5351 0.334E-01 0.359E-01 RMM: 4 -0.354124850187E+03 -0.18673E-04 -0.29818E-03 5309 0.121E-01 0.380E-01 RMM: 5 -0.354124308192E+03 0.54199E-03 -0.76866E-04 4610 0.673E-02 0.283E-01 RMM: 6 -0.354123831573E+03 0.47662E-03 -0.38732E-04 4032 0.516E-02 0.103E-01 RMM: 7 -0.354123928515E+03 -0.96942E-04 -0.16819E-04 3895 0.341E-02 0.159E-01 RMM: 8 -0.354123784588E+03 0.14393E-03 -0.77112E-05 3566 0.257E-02 0.601E-02 RMM: 9 -0.354123769059E+03 0.15529E-04 -0.23711E-05 2730 0.142E-02 3969 T= 6637. E= 0.69759790E+03 F= 0.64269475E+03 E0= 0.67268117E+03 EK= 0.54903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355506198858E+03 -0.13824E+01 -0.17569E-01 7884 0.237E+01 0.409E-01 RMM: 2 -0.355535833689E+03 -0.29635E-01 -0.93755E-02 5172 0.703E-01 0.188E+00 RMM: 3 -0.355511669456E+03 0.24164E-01 -0.13514E-02 5343 0.281E-01 0.355E-01 RMM: 4 -0.355511465051E+03 0.20440E-03 -0.26152E-03 5182 0.117E-01 0.333E-01 RMM: 5 -0.355511170017E+03 0.29503E-03 -0.67306E-04 4601 0.682E-02 0.277E-01 RMM: 6 -0.355510670961E+03 0.49906E-03 -0.25793E-04 3888 0.425E-02 0.588E-02 RMM: 7 -0.355510759110E+03 -0.88148E-04 -0.11003E-04 3799 0.271E-02 0.133E-01 RMM: 8 -0.355510651524E+03 0.10759E-03 -0.54768E-05 3354 0.223E-02 0.337E-02 RMM: 9 -0.355510648482E+03 0.30416E-05 -0.12202E-05 2492 0.102E-02 3970 T= 6511. E= 0.69550356E+03 F= 0.64163881E+03 E0= 0.67164664E+03 EK= 0.53865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356906436623E+03 -0.13958E+01 -0.16951E-01 7860 0.235E+01 0.398E-01 RMM: 2 -0.356930882599E+03 -0.24446E-01 -0.83628E-02 5205 0.675E-01 0.172E+00 RMM: 3 -0.356911150718E+03 0.19732E-01 -0.11314E-02 5357 0.249E-01 0.290E-01 RMM: 4 -0.356911575764E+03 -0.42505E-03 -0.24309E-03 5102 0.115E-01 0.406E-01 RMM: 5 -0.356910755202E+03 0.82056E-03 -0.78221E-04 4593 0.733E-02 0.228E-01 RMM: 6 -0.356910444115E+03 0.31109E-03 -0.25179E-04 3905 0.414E-02 0.839E-02 RMM: 7 -0.356910526814E+03 -0.82699E-04 -0.13789E-04 3880 0.317E-02 0.140E-01 RMM: 8 -0.356910404139E+03 0.12267E-03 -0.61879E-05 3431 0.234E-02 0.433E-02 RMM: 9 -0.356910398359E+03 0.57799E-05 -0.14747E-05 2509 0.110E-02 3971 T= 6367. E= 0.69325029E+03 F= 0.64057471E+03 E0= 0.67060058E+03 EK= 0.52676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358308232864E+03 -0.13978E+01 -0.16052E-01 7956 0.233E+01 0.361E-01 RMM: 2 -0.358320886336E+03 -0.12653E-01 -0.71590E-02 5203 0.626E-01 0.117E+00 RMM: 3 -0.358312086415E+03 0.87999E-02 -0.80378E-03 5377 0.204E-01 0.244E-01 RMM: 4 -0.358312999402E+03 -0.91299E-03 -0.18610E-03 4802 0.104E-01 0.455E-01 RMM: 5 -0.358311727542E+03 0.12719E-02 -0.69720E-04 4579 0.688E-02 0.165E-01 RMM: 6 -0.358311602771E+03 0.12477E-03 -0.20733E-04 3888 0.368E-02 0.964E-02 RMM: 7 -0.358311654792E+03 -0.52021E-04 -0.93666E-05 3691 0.269E-02 0.131E-01 RMM: 8 -0.358311544887E+03 0.10990E-03 -0.52324E-05 3320 0.217E-02 0.282E-02 RMM: 9 -0.358311554495E+03 -0.96072E-05 -0.14730E-05 2508 0.107E-02 3972 T= 6254. E= 0.69124781E+03 F= 0.63951377E+03 E0= 0.66955621E+03 EK= 0.51734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359690418607E+03 -0.13789E+01 -0.15762E-01 7932 0.233E+01 0.349E-01 RMM: 2 -0.359703084793E+03 -0.12666E-01 -0.69402E-02 5158 0.615E-01 0.115E+00 RMM: 3 -0.359694301216E+03 0.87836E-02 -0.77330E-03 5368 0.199E-01 0.265E-01 RMM: 4 -0.359694944114E+03 -0.64290E-03 -0.20843E-03 4933 0.111E-01 0.421E-01 RMM: 5 -0.359693869564E+03 0.10745E-02 -0.79746E-04 4604 0.750E-02 0.158E-01 RMM: 6 -0.359693741519E+03 0.12805E-03 -0.16995E-04 3884 0.332E-02 0.850E-02 RMM: 7 -0.359693786531E+03 -0.45012E-04 -0.90017E-05 3700 0.262E-02 0.119E-01 RMM: 8 -0.359693697876E+03 0.88655E-04 -0.41773E-05 3165 0.200E-02 0.323E-02 RMM: 9 -0.359693698559E+03 -0.68317E-06 -0.11561E-05 2484 0.944E-03 3973 T= 6203. E= 0.68979050E+03 F= 0.63847504E+03 E0= 0.66853588E+03 EK= 0.51315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361026283639E+03 -0.13326E+01 -0.15459E-01 7776 0.233E+01 0.361E-01 RMM: 2 -0.361036974493E+03 -0.10691E-01 -0.65217E-02 5130 0.604E-01 0.107E+00 RMM: 3 -0.361029581559E+03 0.73929E-02 -0.74818E-03 5383 0.193E-01 0.233E-01 RMM: 4 -0.361030632901E+03 -0.10513E-02 -0.19219E-03 4860 0.106E-01 0.476E-01 RMM: 5 -0.361029219093E+03 0.14138E-02 -0.77570E-04 4595 0.728E-02 0.148E-01 RMM: 6 -0.361029126320E+03 0.92774E-04 -0.17278E-04 3889 0.335E-02 0.963E-02 RMM: 7 -0.361029157933E+03 -0.31614E-04 -0.89942E-05 3670 0.258E-02 0.120E-01 RMM: 8 -0.361029066705E+03 0.91229E-04 -0.51564E-05 3292 0.217E-02 0.307E-02 RMM: 9 -0.361029070228E+03 -0.35231E-05 -0.13904E-05 2494 0.106E-02 3974 T= 6227. E= 0.68899564E+03 F= 0.63748414E+03 E0= 0.66756620E+03 EK= 0.51512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362282817871E+03 -0.12538E+01 -0.15628E-01 7908 0.235E+01 0.341E-01 RMM: 2 -0.362290560744E+03 -0.77429E-02 -0.57363E-02 5203 0.562E-01 0.874E-01 RMM: 3 -0.362285707107E+03 0.48536E-02 -0.61457E-03 5362 0.175E-01 0.269E-01 RMM: 4 -0.362286592256E+03 -0.88515E-03 -0.17790E-03 4774 0.103E-01 0.464E-01 RMM: 5 -0.362285235089E+03 0.13572E-02 -0.75936E-04 4588 0.724E-02 0.137E-01 RMM: 6 -0.362285148678E+03 0.86410E-04 -0.15365E-04 3881 0.314E-02 0.848E-02 RMM: 7 -0.362285186307E+03 -0.37628E-04 -0.72805E-05 3567 0.236E-02 0.116E-01 RMM: 8 -0.362285102312E+03 0.83995E-04 -0.38818E-05 3113 0.193E-02 0.274E-02 RMM: 9 -0.362285107139E+03 -0.48272E-05 -0.12490E-05 2483 0.980E-03 3975 T= 6313. E= 0.68879392E+03 F= 0.63657138E+03 E0= 0.66667818E+03 EK= 0.52223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363424356121E+03 -0.11393E+01 -0.15978E-01 7836 0.238E+01 0.358E-01 RMM: 2 -0.363434142736E+03 -0.97866E-02 -0.54909E-02 5263 0.560E-01 0.107E+00 RMM: 3 -0.363426681253E+03 0.74615E-02 -0.61444E-03 5377 0.178E-01 0.235E-01 RMM: 4 -0.363427599201E+03 -0.91795E-03 -0.19327E-03 4772 0.107E-01 0.452E-01 RMM: 5 -0.363426350779E+03 0.12484E-02 -0.74116E-04 4597 0.715E-02 0.157E-01 RMM: 6 -0.363426219407E+03 0.13137E-03 -0.15707E-04 3894 0.321E-02 0.806E-02 RMM: 7 -0.363426264062E+03 -0.44655E-04 -0.82794E-05 3607 0.248E-02 0.117E-01 RMM: 8 -0.363426178431E+03 0.85631E-04 -0.45483E-05 3212 0.208E-02 0.309E-02 RMM: 9 -0.363426179596E+03 -0.11649E-05 -0.11574E-05 2482 0.950E-03 3976 T= 6429. E= 0.68895715E+03 F= 0.63577066E+03 E0= 0.66590465E+03 EK= 0.53186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364417776193E+03 -0.99160E+00 -0.16565E-01 7872 0.240E+01 0.341E-01 RMM: 2 -0.364425363958E+03 -0.75878E-02 -0.51933E-02 5265 0.539E-01 0.906E-01 RMM: 3 -0.364420175181E+03 0.51888E-02 -0.55967E-03 5366 0.169E-01 0.264E-01 RMM: 4 -0.364421157953E+03 -0.98277E-03 -0.17158E-03 4722 0.102E-01 0.474E-01 RMM: 5 -0.364419717353E+03 0.14406E-02 -0.72117E-04 4598 0.706E-02 0.129E-01 RMM: 6 -0.364419646671E+03 0.70683E-04 -0.15071E-04 3876 0.310E-02 0.856E-02 RMM: 7 -0.364419677845E+03 -0.31174E-04 -0.67387E-05 3522 0.230E-02 0.112E-01 RMM: 8 -0.364419599167E+03 0.78678E-04 -0.35186E-05 3043 0.184E-02 0.262E-02 RMM: 9 -0.364419605326E+03 -0.61593E-05 -0.12753E-05 2479 0.994E-03 3977 T= 6534. E= 0.68916420E+03 F= 0.63511393E+03 E0= 0.66527618E+03 EK= 0.54050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365238969313E+03 -0.81937E+00 -0.17093E-01 7800 0.242E+01 0.347E-01 RMM: 2 -0.365248788868E+03 -0.98196E-02 -0.52778E-02 5284 0.552E-01 0.108E+00 RMM: 3 -0.365241187493E+03 0.76014E-02 -0.58214E-03 5367 0.175E-01 0.221E-01 RMM: 4 -0.365242045572E+03 -0.85808E-03 -0.18423E-03 4766 0.105E-01 0.434E-01 RMM: 5 -0.365240923359E+03 0.11222E-02 -0.69370E-04 4597 0.696E-02 0.165E-01 RMM: 6 -0.365240769693E+03 0.15367E-03 -0.14855E-04 3878 0.315E-02 0.736E-02 RMM: 7 -0.365240807743E+03 -0.38050E-04 -0.76531E-05 3572 0.243E-02 0.107E-01 RMM: 8 -0.365240734934E+03 0.72809E-04 -0.39765E-05 3132 0.197E-02 0.256E-02 RMM: 9 -0.365240739630E+03 -0.46957E-05 -0.12012E-05 2472 0.972E-03 3978 T= 6586. E= 0.68911323E+03 F= 0.63462609E+03 E0= 0.66481520E+03 EK= 0.54487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365875466715E+03 -0.63473E+00 -0.17390E-01 7584 0.242E+01 0.317E-01 RMM: 2 -0.365881372860E+03 -0.59061E-02 -0.52156E-02 5266 0.535E-01 0.724E-01 RMM: 3 -0.365878116915E+03 0.32559E-02 -0.49013E-03 5370 0.154E-01 0.253E-01 RMM: 4 -0.365879013901E+03 -0.89699E-03 -0.14431E-03 4644 0.946E-02 0.457E-01 RMM: 5 -0.365877661540E+03 0.13524E-02 -0.66779E-04 4601 0.680E-02 0.106E-01 RMM: 6 -0.365877648549E+03 0.12991E-04 -0.14548E-04 3876 0.305E-02 3979 T= 6567. E= 0.68864861E+03 F= 0.63432001E+03 E0= 0.66453171E+03 EK= 0.54329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366329135953E+03 -0.45147E+00 -0.17568E-01 7728 0.241E+01 0.445E-01 RMM: 2 -0.366361925156E+03 -0.32789E-01 -0.67304E-02 5189 0.631E-01 0.213E+00 RMM: 3 -0.366331935229E+03 0.29990E-01 -0.13199E-02 5332 0.287E-01 0.313E-01 RMM: 4 -0.366332253874E+03 -0.31864E-03 -0.25031E-03 5170 0.114E-01 0.401E-01 RMM: 5 -0.366331556954E+03 0.69692E-03 -0.80295E-04 4608 0.731E-02 0.257E-01 RMM: 6 -0.366331171701E+03 0.38525E-03 -0.33640E-04 3975 0.484E-02 0.101E-01 RMM: 7 -0.366331250129E+03 -0.78428E-04 -0.14615E-04 3873 0.331E-02 0.149E-01 RMM: 8 -0.366331119777E+03 0.13035E-03 -0.79449E-05 3616 0.266E-02 0.490E-02 RMM: 9 -0.366331114747E+03 0.50304E-05 -0.18296E-05 2562 0.127E-02 3980 T= 6484. E= 0.68783286E+03 F= 0.63419592E+03 E0= 0.66442727E+03 EK= 0.53637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366609851385E+03 -0.27873E+00 -0.17027E-01 7560 0.239E+01 0.379E-01 RMM: 2 -0.366633971173E+03 -0.24120E-01 -0.63577E-02 5118 0.597E-01 0.177E+00 RMM: 3 -0.366613129950E+03 0.20841E-01 -0.11004E-02 5335 0.256E-01 0.338E-01 RMM: 4 -0.366612915134E+03 0.21482E-03 -0.21700E-03 5027 0.107E-01 0.305E-01 RMM: 5 -0.366612621919E+03 0.29322E-03 -0.61649E-04 4597 0.676E-02 0.236E-01 RMM: 6 -0.366612259488E+03 0.36243E-03 -0.16988E-04 3876 0.348E-02 0.527E-02 RMM: 7 -0.366612318153E+03 -0.58665E-04 -0.91192E-05 3646 0.251E-02 0.110E-01 RMM: 8 -0.366612244835E+03 0.73318E-04 -0.40560E-05 3152 0.202E-02 0.293E-02 RMM: 9 -0.366612242324E+03 0.25114E-05 -0.74421E-06 2463 0.780E-03 3981 T= 6367. E= 0.68691736E+03 F= 0.63424333E+03 E0= 0.66448858E+03 EK= 0.52674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366735695774E+03 -0.12345E+00 -0.17138E-01 7752 0.237E+01 0.370E-01 RMM: 2 -0.366754015607E+03 -0.18320E-01 -0.71801E-02 5087 0.632E-01 0.148E+00 RMM: 3 -0.366739641084E+03 0.14375E-01 -0.95606E-03 5342 0.231E-01 0.285E-01 RMM: 4 -0.366739824074E+03 -0.18299E-03 -0.20831E-03 5000 0.107E-01 0.347E-01 RMM: 5 -0.366739334953E+03 0.48912E-03 -0.71462E-04 4604 0.709E-02 0.241E-01 RMM: 6 -0.366738987812E+03 0.34714E-03 -0.24431E-04 3896 0.414E-02 0.833E-02 RMM: 7 -0.366739054486E+03 -0.66674E-04 -0.13933E-04 3867 0.328E-02 0.132E-01 RMM: 8 -0.366738947870E+03 0.10662E-03 -0.64799E-05 3450 0.243E-02 0.397E-02 RMM: 9 -0.366738945171E+03 0.26990E-05 -0.14072E-05 2503 0.110E-02 3982 T= 6260. E= 0.68623251E+03 F= 0.63444401E+03 E0= 0.66469958E+03 EK= 0.51789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366731159216E+03 0.77887E-02 -0.16803E-01 7860 0.235E+01 0.318E-01 RMM: 2 -0.366740937490E+03 -0.97783E-02 -0.64319E-02 5105 0.582E-01 0.952E-01 RMM: 3 -0.366734922145E+03 0.60153E-02 -0.72148E-03 5377 0.191E-01 0.242E-01 RMM: 4 -0.366735472520E+03 -0.55037E-03 -0.15240E-03 4710 0.941E-02 0.388E-01 RMM: 5 -0.366734584920E+03 0.88760E-03 -0.63359E-04 4592 0.669E-02 0.153E-01 RMM: 6 -0.366734468293E+03 0.11663E-03 -0.16766E-04 3881 0.338E-02 0.806E-02 RMM: 7 -0.366734519504E+03 -0.51212E-04 -0.78520E-05 3625 0.250E-02 0.120E-01 RMM: 8 -0.366734431872E+03 0.87632E-04 -0.41491E-05 3167 0.199E-02 0.318E-02 RMM: 9 -0.366734433867E+03 -0.19948E-05 -0.12547E-05 2479 0.102E-02 3983 T= 6200. E= 0.68606289E+03 F= 0.63477349E+03 E0= 0.66503651E+03 EK= 0.51289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366619443119E+03 0.11499E+00 -0.17179E-01 8052 0.234E+01 0.307E-01 RMM: 2 -0.366630405795E+03 -0.10963E-01 -0.78452E-02 5013 0.627E-01 0.922E-01 RMM: 3 -0.366624588686E+03 0.58171E-02 -0.79206E-03 5415 0.191E-01 0.242E-01 RMM: 4 -0.366625005923E+03 -0.41724E-03 -0.16720E-03 4801 0.991E-02 0.366E-01 RMM: 5 -0.366624226545E+03 0.77938E-03 -0.64578E-04 4607 0.675E-02 0.152E-01 RMM: 6 -0.366624117784E+03 0.10876E-03 -0.15979E-04 3884 0.327E-02 0.896E-02 RMM: 7 -0.366624151403E+03 -0.33619E-04 -0.98788E-05 3749 0.282E-02 0.115E-01 RMM: 8 -0.366624070008E+03 0.81395E-04 -0.45916E-05 3246 0.205E-02 0.306E-02 RMM: 9 -0.366624071652E+03 -0.16433E-05 -0.11386E-05 2477 0.962E-03 3984 T= 6208. E= 0.68656241E+03 F= 0.63520449E+03 E0= 0.66547397E+03 EK= 0.51358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366427314313E+03 0.19676E+00 -0.17502E-01 8292 0.234E+01 0.311E-01 RMM: 2 -0.366438569795E+03 -0.11255E-01 -0.76805E-02 5102 0.614E-01 0.960E-01 RMM: 3 -0.366432268372E+03 0.63014E-02 -0.79295E-03 5412 0.193E-01 0.239E-01 RMM: 4 -0.366432787037E+03 -0.51866E-03 -0.15721E-03 4701 0.955E-02 0.379E-01 RMM: 5 -0.366431965249E+03 0.82179E-03 -0.59771E-04 4580 0.637E-02 0.167E-01 RMM: 6 -0.366431809406E+03 0.15584E-03 -0.16700E-04 3882 0.335E-02 0.735E-02 RMM: 7 -0.366431876902E+03 -0.67496E-04 -0.92276E-05 3700 0.261E-02 0.126E-01 RMM: 8 -0.366431779494E+03 0.97409E-04 -0.49210E-05 3277 0.215E-02 0.329E-02 RMM: 9 -0.366431779289E+03 0.20454E-06 -0.12455E-05 2484 0.101E-02 3985 T= 6286. E= 0.68771321E+03 F= 0.63571110E+03 E0= 0.66598693E+03 EK= 0.52002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366174839525E+03 0.25694E+00 -0.18488E-01 8676 0.235E+01 0.293E-01 RMM: 2 -0.366185726561E+03 -0.10887E-01 -0.86874E-02 5107 0.637E-01 0.832E-01 RMM: 3 -0.366180802083E+03 0.49245E-02 -0.79007E-03 5460 0.186E-01 0.234E-01 RMM: 4 -0.366181218260E+03 -0.41618E-03 -0.15295E-03 4692 0.949E-02 0.362E-01 RMM: 5 -0.366180434355E+03 0.78391E-03 -0.57999E-04 4562 0.629E-02 0.138E-01 RMM: 6 -0.366180350761E+03 0.83594E-04 -0.14212E-04 3882 0.309E-02 0.846E-02 RMM: 7 -0.366180388244E+03 -0.37483E-04 -0.82553E-05 3649 0.255E-02 0.112E-01 RMM: 8 -0.366180309033E+03 0.79211E-04 -0.39532E-05 3129 0.194E-02 0.286E-02 RMM: 9 -0.366180310879E+03 -0.18465E-05 -0.11237E-05 2472 0.938E-03 3986 T= 6413. E= 0.68931997E+03 F= 0.63626908E+03 E0= 0.66655214E+03 EK= 0.53051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365889311661E+03 0.29100E+00 -0.19216E-01 8868 0.237E+01 0.303E-01 RMM: 2 -0.365902142738E+03 -0.12831E-01 -0.89326E-02 5243 0.636E-01 0.979E-01 RMM: 3 -0.365895213004E+03 0.69297E-02 -0.76548E-03 5440 0.187E-01 0.225E-01 RMM: 4 -0.365895688050E+03 -0.47505E-03 -0.15001E-03 4682 0.930E-02 0.362E-01 RMM: 5 -0.365894929006E+03 0.75904E-03 -0.52182E-04 4507 0.590E-02 0.161E-01 RMM: 6 -0.365894783880E+03 0.14513E-03 -0.14588E-04 3877 0.313E-02 0.698E-02 RMM: 7 -0.365894849995E+03 -0.66115E-04 -0.88833E-05 3671 0.253E-02 0.123E-01 RMM: 8 -0.365894756600E+03 0.93395E-04 -0.47541E-05 3242 0.211E-02 0.297E-02 RMM: 9 -0.365894757855E+03 -0.12555E-05 -0.11803E-05 2481 0.971E-03 3987 T= 6550. E= 0.69103998E+03 F= 0.63685284E+03 E0= 0.66714471E+03 EK= 0.54187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365594181572E+03 0.30058E+00 -0.19547E-01 8892 0.238E+01 0.279E-01 RMM: 2 -0.365605010940E+03 -0.10829E-01 -0.96723E-02 5349 0.640E-01 0.716E-01 RMM: 3 -0.365600858524E+03 0.41524E-02 -0.67782E-03 5445 0.174E-01 0.230E-01 RMM: 4 -0.365601308673E+03 -0.45015E-03 -0.13199E-03 4652 0.874E-02 0.363E-01 RMM: 5 -0.365600492526E+03 0.81615E-03 -0.51840E-04 4458 0.587E-02 0.122E-01 RMM: 6 -0.365600442651E+03 0.49875E-04 -0.12913E-04 3873 0.293E-02 0.885E-02 RMM: 7 -0.365600469243E+03 -0.26592E-04 -0.70113E-05 3545 0.234E-02 0.108E-01 RMM: 8 -0.365600395931E+03 0.73312E-04 -0.36651E-05 3078 0.187E-02 0.263E-02 RMM: 9 -0.365600399677E+03 -0.37463E-05 -0.11730E-05 2470 0.953E-03 3988 T= 6652. E= 0.69247052E+03 F= 0.63743766E+03 E0= 0.66774017E+03 EK= 0.55033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365315183826E+03 0.28521E+00 -0.20285E-01 9012 0.238E+01 0.289E-01 RMM: 2 -0.365328586763E+03 -0.13403E-01 -0.10350E-01 5303 0.670E-01 0.901E-01 RMM: 3 -0.365322335147E+03 0.62516E-02 -0.75606E-03 5503 0.183E-01 0.205E-01 RMM: 4 -0.365322803751E+03 -0.46860E-03 -0.13738E-03 4680 0.890E-02 0.353E-01 RMM: 5 -0.365322061799E+03 0.74195E-03 -0.48970E-04 4447 0.571E-02 0.141E-01 RMM: 6 -0.365321962288E+03 0.99511E-04 -0.12935E-04 3872 0.293E-02 0.751E-02 RMM: 7 -0.365322012768E+03 -0.50480E-04 -0.81875E-05 3605 0.243E-02 0.117E-01 RMM: 8 -0.365321928879E+03 0.83889E-04 -0.44863E-05 3204 0.205E-02 0.244E-02 RMM: 9 -0.365321934885E+03 -0.60058E-05 -0.11488E-05 2480 0.939E-03 3989 T= 6683. E= 0.69328909E+03 F= 0.63800031E+03 E0= 0.66831557E+03 EK= 0.55289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365076590659E+03 0.24534E+00 -0.21144E-01 8952 0.238E+01 0.268E-01 RMM: 2 -0.365087993593E+03 -0.11403E-01 -0.10852E-01 5344 0.685E-01 0.635E-01 RMM: 3 -0.365084499934E+03 0.34937E-02 -0.75192E-03 5526 0.178E-01 0.215E-01 RMM: 4 -0.365084917801E+03 -0.41787E-03 -0.11764E-03 4674 0.833E-02 0.351E-01 RMM: 5 -0.365084141775E+03 0.77603E-03 -0.47710E-04 4383 0.562E-02 0.113E-01 RMM: 6 -0.365084116740E+03 0.25035E-04 -0.14393E-04 3871 0.310E-02 0.969E-02 RMM: 7 -0.365084119262E+03 -0.25221E-05 -0.59359E-05 3425 0.224E-02 3990 T= 6633. E= 0.69338957E+03 F= 0.63851786E+03 E0= 0.66884846E+03 EK= 0.54872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364905153584E+03 0.17896E+00 -0.20955E-01 8952 0.236E+01 0.299E-01 RMM: 2 -0.364917767011E+03 -0.12613E-01 -0.10978E-01 5359 0.705E-01 0.792E-01 RMM: 3 -0.364913036458E+03 0.47306E-02 -0.78002E-03 5657 0.183E-01 0.239E-01 RMM: 4 -0.364913425762E+03 -0.38930E-03 -0.13069E-03 4683 0.870E-02 0.366E-01 RMM: 5 -0.364912576237E+03 0.84953E-03 -0.56348E-04 4538 0.615E-02 0.106E-01 RMM: 6 -0.364912617922E+03 -0.41685E-04 -0.18202E-04 3882 0.342E-02 0.135E-01 RMM: 7 -0.364912582837E+03 0.35085E-04 -0.87582E-05 3718 0.265E-02 0.113E-01 RMM: 8 -0.364912505403E+03 0.77434E-04 -0.46348E-05 3250 0.198E-02 0.291E-02 RMM: 9 -0.364912519791E+03 -0.14388E-04 -0.16057E-05 2510 0.114E-02 3991 T= 6523. E= 0.69292599E+03 F= 0.63896640E+03 E0= 0.66931395E+03 EK= 0.53960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364826765827E+03 0.85740E-01 -0.19761E-01 9084 0.234E+01 0.251E-01 RMM: 2 -0.364837993923E+03 -0.11228E-01 -0.10394E-01 5405 0.675E-01 0.662E-01 RMM: 3 -0.364834268734E+03 0.37252E-02 -0.69595E-03 5633 0.173E-01 0.174E-01 RMM: 4 -0.364834613847E+03 -0.34511E-03 -0.96953E-04 4635 0.742E-02 0.311E-01 RMM: 5 -0.364834032027E+03 0.58182E-03 -0.37259E-04 4126 0.506E-02 0.118E-01 RMM: 6 -0.364833981545E+03 0.50482E-04 -0.14172E-04 3874 0.315E-02 0.817E-02 RMM: 7 -0.364833979028E+03 0.25168E-05 -0.49551E-05 3262 0.206E-02 3992 T= 6396. E= 0.69223179E+03 F= 0.63932008E+03 E0= 0.66968755E+03 EK= 0.52912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364870278000E+03 -0.36296E-01 -0.18689E-01 9012 0.232E+01 0.306E-01 RMM: 2 -0.364883509860E+03 -0.13232E-01 -0.10076E-01 5383 0.676E-01 0.927E-01 RMM: 3 -0.364877337787E+03 0.61721E-02 -0.77321E-03 5553 0.179E-01 0.247E-01 RMM: 4 -0.364877617169E+03 -0.27938E-03 -0.15110E-03 4684 0.943E-02 0.352E-01 RMM: 5 -0.364876848883E+03 0.76829E-03 -0.59224E-04 4505 0.625E-02 0.123E-01 RMM: 6 -0.364876861521E+03 -0.12638E-04 -0.18568E-04 3894 0.349E-02 3993 T= 6300. E= 0.69167023E+03 F= 0.63955059E+03 E0= 0.66993916E+03 EK= 0.52120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365061867722E+03 -0.18502E+00 -0.18170E-01 8736 0.231E+01 0.440E-01 RMM: 2 -0.365097349471E+03 -0.35482E-01 -0.11102E-01 5212 0.760E-01 0.207E+00 RMM: 3 -0.365069367080E+03 0.27982E-01 -0.17651E-02 5308 0.320E-01 0.435E-01 RMM: 4 -0.365068244057E+03 0.11230E-02 -0.23565E-03 4888 0.103E-01 0.203E-01 RMM: 5 -0.365068376073E+03 -0.13202E-03 -0.69065E-04 4597 0.659E-02 0.267E-01 RMM: 6 -0.365067963473E+03 0.41260E-03 -0.32835E-04 3912 0.476E-02 0.970E-02 RMM: 7 -0.365068029732E+03 -0.66259E-04 -0.14854E-04 3892 0.324E-02 0.138E-01 RMM: 8 -0.365067930896E+03 0.98836E-04 -0.71560E-05 3577 0.249E-02 0.664E-02 RMM: 9 -0.365067909609E+03 0.21287E-04 -0.20492E-05 2603 0.134E-02 0.312E-02 RMM: 10 -0.365067926915E+03 -0.17306E-04 -0.13789E-05 2494 0.107E-02 3994 T= 6270. E= 0.69149798E+03 F= 0.63963043E+03 E0= 0.67004291E+03 EK= 0.51868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365421040471E+03 -0.35313E+00 -0.17153E-01 8472 0.232E+01 0.385E-01 RMM: 2 -0.365449883706E+03 -0.28843E-01 -0.98983E-02 5260 0.695E-01 0.183E+00 RMM: 3 -0.365427931492E+03 0.21952E-01 -0.13951E-02 5334 0.280E-01 0.404E-01 RMM: 4 -0.365427002044E+03 0.92945E-03 -0.22803E-03 4859 0.105E-01 0.206E-01 RMM: 5 -0.365427010830E+03 -0.87867E-05 -0.47485E-04 4487 0.559E-02 0.226E-01 RMM: 6 -0.365426685998E+03 0.32483E-03 -0.17797E-04 3884 0.353E-02 0.581E-02 RMM: 7 -0.365426721174E+03 -0.35176E-04 -0.71202E-05 3499 0.223E-02 0.961E-02 RMM: 8 -0.365426670351E+03 0.50823E-04 -0.32957E-05 2953 0.183E-02 0.434E-02 RMM: 9 -0.365426659613E+03 0.10738E-04 -0.10167E-05 2471 0.952E-03 3995 T= 6316. E= 0.69179216E+03 F= 0.63953897E+03 E0= 0.66997605E+03 EK= 0.52253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365950954027E+03 -0.52428E+00 -0.16411E-01 8364 0.233E+01 0.311E-01 RMM: 2 -0.365963931902E+03 -0.12978E-01 -0.87301E-02 5271 0.648E-01 0.101E+00 RMM: 3 -0.365956976453E+03 0.69554E-02 -0.85340E-03 5426 0.192E-01 0.243E-01 RMM: 4 -0.365957246530E+03 -0.27008E-03 -0.14434E-03 4693 0.887E-02 0.343E-01 RMM: 5 -0.365956585040E+03 0.66149E-03 -0.49874E-04 4433 0.570E-02 0.159E-01 RMM: 6 -0.365956463681E+03 0.12136E-03 -0.16310E-04 3884 0.333E-02 0.848E-02 RMM: 7 -0.365956521070E+03 -0.57389E-04 -0.93266E-05 3711 0.262E-02 0.127E-01 RMM: 8 -0.365956419663E+03 0.10141E-03 -0.51751E-05 3303 0.216E-02 0.353E-02 RMM: 9 -0.365956420460E+03 -0.79775E-06 -0.14650E-05 2503 0.107E-02 3996 T= 6426. E= 0.69243062E+03 F= 0.63927180E+03 E0= 0.66973361E+03 EK= 0.53159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366631235200E+03 -0.67482E+00 -0.16666E-01 8064 0.236E+01 0.296E-01 RMM: 2 -0.366644692993E+03 -0.13458E-01 -0.90679E-02 5172 0.681E-01 0.104E+00 RMM: 3 -0.366637484931E+03 0.72081E-02 -0.88577E-03 5471 0.195E-01 0.209E-01 RMM: 4 -0.366637810141E+03 -0.32521E-03 -0.13728E-03 4702 0.867E-02 0.328E-01 RMM: 5 -0.366637222000E+03 0.58814E-03 -0.42254E-04 4203 0.524E-02 0.154E-01 RMM: 6 -0.366637086506E+03 0.13549E-03 -0.13786E-04 3883 0.317E-02 0.650E-02 RMM: 7 -0.366637140965E+03 -0.54459E-04 -0.72449E-05 3529 0.228E-02 0.112E-01 RMM: 8 -0.366637065854E+03 0.75112E-04 -0.37949E-05 3081 0.194E-02 0.308E-02 RMM: 9 -0.366637064855E+03 0.99888E-06 -0.10233E-05 2468 0.903E-03 3997 T= 6560. E= 0.69311350E+03 F= 0.63884862E+03 E0= 0.66933459E+03 EK= 0.54265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367415666174E+03 -0.77860E+00 -0.16241E-01 7992 0.239E+01 0.288E-01 RMM: 2 -0.367426213962E+03 -0.10548E-01 -0.76229E-02 5175 0.626E-01 0.901E-01 RMM: 3 -0.367420771417E+03 0.54425E-02 -0.71383E-03 5405 0.179E-01 0.206E-01 RMM: 4 -0.367421363651E+03 -0.59223E-03 -0.14021E-03 4664 0.899E-02 0.377E-01 RMM: 5 -0.367420507353E+03 0.85630E-03 -0.48920E-04 4354 0.562E-02 0.130E-01 RMM: 6 -0.367420418106E+03 0.89248E-04 -0.10856E-04 3794 0.271E-02 0.634E-02 RMM: 7 -0.367420456995E+03 -0.38889E-04 -0.63466E-05 3444 0.215E-02 0.104E-01 RMM: 8 -0.367420390207E+03 0.66788E-04 -0.35490E-05 3029 0.188E-02 0.251E-02 RMM: 9 -0.367420393598E+03 -0.33912E-05 -0.11383E-05 2467 0.929E-03 3998 T= 6664. E= 0.69345124E+03 F= 0.63831802E+03 E0= 0.66882697E+03 EK= 0.55133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368230521253E+03 -0.81013E+00 -0.16304E-01 7848 0.241E+01 0.312E-01 RMM: 2 -0.368243141841E+03 -0.12621E-01 -0.80244E-02 5142 0.665E-01 0.107E+00 RMM: 3 -0.368235700861E+03 0.74410E-02 -0.81928E-03 5415 0.195E-01 0.225E-01 RMM: 4 -0.368236112553E+03 -0.41169E-03 -0.15130E-03 4697 0.922E-02 0.349E-01 RMM: 5 -0.368235439001E+03 0.67355E-03 -0.44959E-04 4291 0.539E-02 0.166E-01 RMM: 6 -0.368235271454E+03 0.16755E-03 -0.13081E-04 3868 0.305E-02 0.573E-02 RMM: 7 -0.368235320755E+03 -0.49301E-04 -0.73180E-05 3538 0.228E-02 0.107E-01 RMM: 8 -0.368235252197E+03 0.68558E-04 -0.36590E-05 3063 0.189E-02 0.312E-02 RMM: 9 -0.368235250743E+03 0.14535E-05 -0.11013E-05 2472 0.938E-03 3999 T= 6693. E= 0.69312371E+03 F= 0.63775227E+03 E0= 0.66828313E+03 EK= 0.55371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369004965057E+03 -0.76971E+00 -0.15929E-01 7812 0.241E+01 0.293E-01 RMM: 2 -0.369014518778E+03 -0.95537E-02 -0.71953E-02 5183 0.623E-01 0.865E-01 RMM: 3 -0.369009637143E+03 0.48816E-02 -0.69069E-03 5439 0.175E-01 0.207E-01 RMM: 4 -0.369010252404E+03 -0.61526E-03 -0.13429E-03 4642 0.882E-02 0.384E-01 RMM: 5 -0.369009343102E+03 0.90930E-03 -0.49359E-04 4375 0.564E-02 0.117E-01 RMM: 6 -0.369009277392E+03 0.65711E-04 -0.10667E-04 3766 0.269E-02 0.677E-02 RMM: 7 -0.369009315858E+03 -0.38466E-04 -0.59293E-05 3400 0.210E-02 0.104E-01 RMM: 8 -0.369009247648E+03 0.68210E-04 -0.34802E-05 2990 0.186E-02 0.253E-02 RMM: 9 -0.369009251413E+03 -0.37656E-05 -0.10972E-05 2467 0.912E-03 4000 T= 6627. E= 0.69204774E+03 F= 0.63722524E+03 E0= 0.66777700E+03 EK= 0.54822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369683867748E+03 -0.67462E+00 -0.15938E-01 7956 0.240E+01 0.307E-01 RMM: 2 -0.369695963882E+03 -0.12096E-01 -0.76287E-02 5149 0.645E-01 0.104E+00 RMM: 3 -0.369688834525E+03 0.71294E-02 -0.79282E-03 5446 0.190E-01 0.235E-01 RMM: 4 -0.369689184006E+03 -0.34948E-03 -0.14501E-03 4672 0.905E-02 0.341E-01 RMM: 5 -0.369688540821E+03 0.64319E-03 -0.43497E-04 4257 0.534E-02 0.164E-01 RMM: 6 -0.369688378049E+03 0.16277E-03 -0.12722E-04 3868 0.304E-02 0.562E-02 RMM: 7 -0.369688436128E+03 -0.58079E-04 -0.75185E-05 3553 0.230E-02 0.112E-01 RMM: 8 -0.369688358830E+03 0.77298E-04 -0.38751E-05 3090 0.196E-02 0.268E-02 RMM: 9 -0.369688360455E+03 -0.16255E-05 -0.11529E-05 2474 0.951E-03 4001 T= 6485. E= 0.69044435E+03 F= 0.63679226E+03 E0= 0.66736444E+03 EK= 0.53652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370242111567E+03 -0.55375E+00 -0.15953E-01 7932 0.238E+01 0.288E-01 RMM: 2 -0.370253105849E+03 -0.10994E-01 -0.77779E-02 5055 0.642E-01 0.925E-01 RMM: 3 -0.370247421628E+03 0.56842E-02 -0.79627E-03 5470 0.186E-01 0.204E-01 RMM: 4 -0.370247884427E+03 -0.46280E-03 -0.13602E-03 4705 0.883E-02 0.352E-01 RMM: 5 -0.370247119615E+03 0.76481E-03 -0.46468E-04 4376 0.554E-02 0.117E-01 RMM: 6 -0.370247060885E+03 0.58730E-04 -0.11385E-04 3835 0.282E-02 0.751E-02 RMM: 7 -0.370247099831E+03 -0.38946E-04 -0.61519E-05 3436 0.215E-02 0.109E-01 RMM: 8 -0.370247025249E+03 0.74582E-04 -0.35598E-05 3013 0.188E-02 0.249E-02 RMM: 9 -0.370247028741E+03 -0.34914E-05 -0.10413E-05 2466 0.886E-03 4002 T= 6318. E= 0.68874827E+03 F= 0.63647940E+03 E0= 0.66707186E+03 EK= 0.52269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370679111148E+03 -0.43209E+00 -0.15741E-01 7788 0.236E+01 0.282E-01 RMM: 2 -0.370690152293E+03 -0.11041E-01 -0.75911E-02 5042 0.634E-01 0.933E-01 RMM: 3 -0.370684363705E+03 0.57886E-02 -0.79420E-03 5500 0.186E-01 0.215E-01 RMM: 4 -0.370684698795E+03 -0.33509E-03 -0.12524E-03 4660 0.846E-02 0.327E-01 RMM: 5 -0.370684095385E+03 0.60341E-03 -0.41949E-04 4299 0.532E-02 0.150E-01 RMM: 6 -0.370683966254E+03 0.12913E-03 -0.12377E-04 3861 0.298E-02 0.610E-02 RMM: 7 -0.370684023071E+03 -0.56817E-04 -0.72699E-05 3537 0.230E-02 0.112E-01 RMM: 8 -0.370683944029E+03 0.79042E-04 -0.38589E-05 3083 0.198E-02 0.252E-02 RMM: 9 -0.370683946816E+03 -0.27871E-05 -0.11105E-05 2466 0.927E-03 4003 T= 6182. E= 0.68742808E+03 F= 0.63628747E+03 E0= 0.66690035E+03 EK= 0.51141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371008586790E+03 -0.32464E+00 -0.15445E-01 7836 0.234E+01 0.272E-01 RMM: 2 -0.371018560689E+03 -0.99739E-02 -0.70378E-02 5100 0.602E-01 0.882E-01 RMM: 3 -0.371013330593E+03 0.52301E-02 -0.67317E-03 5455 0.174E-01 0.200E-01 RMM: 4 -0.371013713338E+03 -0.38274E-03 -0.12104E-03 4638 0.838E-02 0.326E-01 RMM: 5 -0.371013068199E+03 0.64514E-03 -0.40055E-04 4198 0.516E-02 0.122E-01 RMM: 6 -0.371012999498E+03 0.68701E-04 -0.11176E-04 3843 0.286E-02 0.743E-02 RMM: 7 -0.371013035005E+03 -0.35507E-04 -0.68496E-05 3493 0.227E-02 0.105E-01 RMM: 8 -0.371012965347E+03 0.69658E-04 -0.37514E-05 3070 0.194E-02 0.259E-02 RMM: 9 -0.371012967255E+03 -0.19076E-05 -0.10062E-05 2460 0.883E-03 4004 T= 6120. E= 0.68683030E+03 F= 0.63620117E+03 E0= 0.66683461E+03 EK= 0.50629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371246698439E+03 -0.23373E+00 -0.15513E-01 7728 0.234E+01 0.274E-01 RMM: 2 -0.371257455712E+03 -0.10757E-01 -0.67398E-02 5211 0.587E-01 0.966E-01 RMM: 3 -0.371251127611E+03 0.63281E-02 -0.63465E-03 5432 0.172E-01 0.210E-01 RMM: 4 -0.371251487744E+03 -0.36013E-03 -0.11831E-03 4621 0.818E-02 0.324E-01 RMM: 5 -0.371250871741E+03 0.61600E-03 -0.38480E-04 4092 0.506E-02 0.135E-01 RMM: 6 -0.371250774033E+03 0.97708E-04 -0.11286E-04 3807 0.292E-02 0.650E-02 RMM: 7 -0.371250825739E+03 -0.51706E-04 -0.73834E-05 3537 0.232E-02 0.110E-01 RMM: 8 -0.371250750617E+03 0.75123E-04 -0.38438E-05 3077 0.197E-02 0.311E-02 RMM: 9 -0.371250748929E+03 0.16873E-05 -0.10828E-05 2470 0.928E-03 4005 T= 6153. E= 0.68710130E+03 F= 0.63620183E+03 E0= 0.66685546E+03 EK= 0.50899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371404670365E+03 -0.15392E+00 -0.16043E-01 7692 0.235E+01 0.267E-01 RMM: 2 -0.371414533191E+03 -0.98628E-02 -0.67677E-02 5245 0.584E-01 0.884E-01 RMM: 3 -0.371409073950E+03 0.54592E-02 -0.58537E-03 5387 0.166E-01 0.182E-01 RMM: 4 -0.371409561347E+03 -0.48740E-03 -0.11381E-03 4620 0.811E-02 0.336E-01 RMM: 5 -0.371408876445E+03 0.68490E-03 -0.35272E-04 3981 0.475E-02 0.126E-01 RMM: 6 -0.371408797253E+03 0.79192E-04 -0.10419E-04 3795 0.276E-02 0.684E-02 RMM: 7 -0.371408835108E+03 -0.37855E-04 -0.66623E-05 3487 0.222E-02 0.104E-01 RMM: 8 -0.371408767336E+03 0.67772E-04 -0.35164E-05 3014 0.187E-02 0.257E-02 RMM: 9 -0.371408769141E+03 -0.18054E-05 -0.10630E-05 2463 0.906E-03 4006 T= 6272. E= 0.68816201E+03 F= 0.63627605E+03 E0= 0.66694892E+03 EK= 0.51886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371486930805E+03 -0.78163E-01 -0.17158E-01 7704 0.238E+01 0.270E-01 RMM: 2 -0.371497656557E+03 -0.10726E-01 -0.72535E-02 5242 0.606E-01 0.923E-01 RMM: 3 -0.371491781716E+03 0.58748E-02 -0.63562E-03 5461 0.172E-01 0.200E-01 RMM: 4 -0.371492190220E+03 -0.40850E-03 -0.11348E-03 4625 0.798E-02 0.336E-01 RMM: 5 -0.371491534730E+03 0.65549E-03 -0.37554E-04 4113 0.499E-02 0.128E-01 RMM: 6 -0.371491441965E+03 0.92765E-04 -0.93170E-05 3652 0.264E-02 0.576E-02 RMM: 7 -0.371491488956E+03 -0.46990E-04 -0.66511E-05 3488 0.219E-02 0.104E-01 RMM: 8 -0.371491420475E+03 0.68481E-04 -0.34849E-05 2978 0.187E-02 0.265E-02 RMM: 9 -0.371491421943E+03 -0.14685E-05 -0.11342E-05 2469 0.939E-03 4007 T= 6442. E= 0.68971472E+03 F= 0.63641818E+03 E0= 0.66710889E+03 EK= 0.53297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371494972249E+03 -0.35518E-02 -0.18166E-01 7872 0.240E+01 0.271E-01 RMM: 2 -0.371506521536E+03 -0.11549E-01 -0.78653E-02 5234 0.627E-01 0.945E-01 RMM: 3 -0.371500327966E+03 0.61936E-02 -0.67154E-03 5460 0.174E-01 0.176E-01 RMM: 4 -0.371500804540E+03 -0.47657E-03 -0.11501E-03 4629 0.813E-02 0.337E-01 RMM: 5 -0.371500120267E+03 0.68427E-03 -0.34557E-04 4015 0.471E-02 0.120E-01 RMM: 6 -0.371500042795E+03 0.77472E-04 -0.95370E-05 3706 0.264E-02 0.627E-02 RMM: 7 -0.371500076521E+03 -0.33726E-04 -0.62010E-05 3444 0.212E-02 0.994E-02 RMM: 8 -0.371500014458E+03 0.62063E-04 -0.34232E-05 2965 0.183E-02 0.223E-02 RMM: 9 -0.371500020160E+03 -0.57017E-05 -0.11897E-05 2468 0.968E-03 4008 T= 6608. E= 0.69129469E+03 F= 0.63662665E+03 E0= 0.66733311E+03 EK= 0.54668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371432083111E+03 0.67931E-01 -0.18831E-01 7920 0.242E+01 0.255E-01 RMM: 2 -0.371442699809E+03 -0.10617E-01 -0.83251E-02 5200 0.642E-01 0.804E-01 RMM: 3 -0.371438071714E+03 0.46281E-02 -0.69609E-03 5458 0.175E-01 0.208E-01 RMM: 4 -0.371438436991E+03 -0.36528E-03 -0.10758E-03 4652 0.782E-02 0.329E-01 RMM: 5 -0.371437770692E+03 0.66630E-03 -0.34497E-04 4067 0.468E-02 0.106E-01 RMM: 6 -0.371437715838E+03 0.54853E-04 -0.85893E-05 3600 0.254E-02 0.618E-02 RMM: 7 -0.371437745663E+03 -0.29825E-04 -0.55051E-05 3311 0.202E-02 0.960E-02 RMM: 8 -0.371437688407E+03 0.57256E-04 -0.30636E-05 2830 0.175E-02 0.213E-02 RMM: 9 -0.371437694441E+03 -0.60339E-05 -0.11992E-05 2462 0.957E-03 4009 T= 6710. E= 0.69240476E+03 F= 0.63689908E+03 E0= 0.66761894E+03 EK= 0.55506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371310114822E+03 0.12757E+00 -0.19237E-01 8028 0.242E+01 0.258E-01 RMM: 2 -0.371321936055E+03 -0.11821E-01 -0.87575E-02 5169 0.664E-01 0.878E-01 RMM: 3 -0.371316438909E+03 0.54971E-02 -0.74655E-03 5502 0.180E-01 0.185E-01 RMM: 4 -0.371316762831E+03 -0.32392E-03 -0.10774E-03 4645 0.787E-02 0.304E-01 RMM: 5 -0.371316192671E+03 0.57016E-03 -0.30191E-04 3946 0.434E-02 0.117E-01 RMM: 6 -0.371316124074E+03 0.68596E-04 -0.91853E-05 3672 0.263E-02 0.646E-02 RMM: 7 -0.371316161502E+03 -0.37427E-04 -0.64461E-05 3462 0.214E-02 0.103E-01 RMM: 8 -0.371316095228E+03 0.66274E-04 -0.37601E-05 3025 0.191E-02 0.252E-02 RMM: 9 -0.371316097705E+03 -0.24771E-05 -0.11265E-05 2459 0.939E-03 4010 T= 6708. E= 0.69271783E+03 F= 0.63722523E+03 E0= 0.66795603E+03 EK= 0.55493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371154577525E+03 0.16152E+00 -0.19215E-01 8148 0.241E+01 0.242E-01 RMM: 2 -0.371165242777E+03 -0.10665E-01 -0.86676E-02 5157 0.655E-01 0.764E-01 RMM: 3 -0.371160936002E+03 0.43068E-02 -0.72580E-03 5504 0.176E-01 0.171E-01 RMM: 4 -0.371161294700E+03 -0.35870E-03 -0.89120E-04 4640 0.707E-02 0.309E-01 RMM: 5 -0.371160704969E+03 0.58973E-03 -0.28923E-04 3960 0.432E-02 0.102E-01 RMM: 6 -0.371160661872E+03 0.43097E-04 -0.99283E-05 3719 0.272E-02 0.697E-02 RMM: 7 -0.371160693173E+03 -0.31301E-04 -0.58186E-05 3353 0.211E-02 0.101E-01 RMM: 8 -0.371160630843E+03 0.62330E-04 -0.30610E-05 2859 0.176E-02 0.261E-02 RMM: 9 -0.371160632267E+03 -0.14243E-05 -0.10910E-05 2455 0.911E-03 4011 T= 6606. E= 0.69223380E+03 F= 0.63758123E+03 E0= 0.66832084E+03 EK= 0.54653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370999956696E+03 0.16067E+00 -0.19081E-01 8052 0.238E+01 0.248E-01 RMM: 2 -0.371012714769E+03 -0.12758E-01 -0.87917E-02 5114 0.669E-01 0.944E-01 RMM: 3 -0.371006461234E+03 0.62535E-02 -0.77613E-03 5490 0.183E-01 0.167E-01 RMM: 4 -0.371006714351E+03 -0.25312E-03 -0.98112E-04 4652 0.748E-02 0.278E-01 RMM: 5 -0.371006253035E+03 0.46132E-03 -0.27302E-04 3934 0.420E-02 0.115E-01 RMM: 6 -0.371006193182E+03 0.59853E-04 -0.90268E-05 3643 0.260E-02 0.690E-02 RMM: 7 -0.371006220428E+03 -0.27246E-04 -0.60623E-05 3391 0.212E-02 0.967E-02 RMM: 8 -0.371006161956E+03 0.58472E-04 -0.35481E-05 3021 0.189E-02 0.199E-02 RMM: 9 -0.371006167414E+03 -0.54581E-05 -0.99369E-06 2456 0.882E-03 4012 T= 6448. E= 0.69127222E+03 F= 0.63793336E+03 E0= 0.66867947E+03 EK= 0.53339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370884578323E+03 0.12158E+00 -0.18231E-01 7752 0.235E+01 0.237E-01 RMM: 2 -0.370895357459E+03 -0.10779E-01 -0.82289E-02 5130 0.652E-01 0.817E-01 RMM: 3 -0.370890660763E+03 0.46967E-02 -0.73469E-03 5527 0.178E-01 0.170E-01 RMM: 4 -0.370890859641E+03 -0.19888E-03 -0.85972E-04 4635 0.696E-02 0.264E-01 RMM: 5 -0.370890439144E+03 0.42050E-03 -0.25955E-04 3908 0.410E-02 0.108E-01 RMM: 6 -0.370890389677E+03 0.49467E-04 -0.10152E-04 3755 0.278E-02 0.694E-02 RMM: 7 -0.370890427085E+03 -0.37408E-04 -0.53296E-05 3283 0.204E-02 0.105E-01 RMM: 8 -0.370890359856E+03 0.67230E-04 -0.30216E-05 2862 0.178E-02 0.237E-02 RMM: 9 -0.370890361554E+03 -0.16988E-05 -0.94525E-06 2454 0.849E-03 4013 T= 6293. E= 0.69030473E+03 F= 0.63824434E+03 E0= 0.66899482E+03 EK= 0.52060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370841405259E+03 0.48955E-01 -0.17579E-01 7848 0.233E+01 0.235E-01 RMM: 2 -0.370852957097E+03 -0.11552E-01 -0.80885E-02 5102 0.644E-01 0.889E-01 RMM: 3 -0.370847422493E+03 0.55346E-02 -0.72548E-03 5534 0.175E-01 0.157E-01 RMM: 4 -0.370847664276E+03 -0.24178E-03 -0.88282E-04 4636 0.714E-02 0.270E-01 RMM: 5 -0.370847226984E+03 0.43729E-03 -0.25973E-04 3902 0.411E-02 0.106E-01 RMM: 6 -0.370847183464E+03 0.43520E-04 -0.87477E-05 3619 0.257E-02 0.719E-02 RMM: 7 -0.370847205756E+03 -0.22292E-04 -0.56034E-05 3331 0.207E-02 0.944E-02 RMM: 8 -0.370847151072E+03 0.54684E-04 -0.33594E-05 2978 0.185E-02 0.206E-02 RMM: 9 -0.370847154865E+03 -0.37928E-05 -0.90753E-06 2452 0.843E-03 4014 T= 6198. E= 0.68975428E+03 F= 0.63847977E+03 E0= 0.66923163E+03 EK= 0.51275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370895485994E+03 -0.48335E-01 -0.17311E-01 7836 0.232E+01 0.229E-01 RMM: 2 -0.370905505955E+03 -0.10020E-01 -0.78269E-02 5054 0.644E-01 0.779E-01 RMM: 3 -0.370901338985E+03 0.41670E-02 -0.74647E-03 5593 0.176E-01 0.159E-01 RMM: 4 -0.370901562567E+03 -0.22358E-03 -0.82955E-04 4630 0.688E-02 0.265E-01 RMM: 5 -0.370901122159E+03 0.44041E-03 -0.25279E-04 3893 0.404E-02 0.968E-02 RMM: 6 -0.370901086545E+03 0.35613E-04 -0.84953E-05 3585 0.255E-02 0.669E-02 RMM: 7 -0.370901113439E+03 -0.26894E-04 -0.45780E-05 3137 0.194E-02 0.946E-02 RMM: 8 -0.370901058462E+03 0.54977E-04 -0.27422E-05 2756 0.170E-02 0.209E-02 RMM: 9 -0.370901061238E+03 -0.27760E-05 -0.89122E-06 2448 0.828E-03 4015 T= 6195. E= 0.68986255E+03 F= 0.63861411E+03 E0= 0.66936381E+03 EK= 0.51248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371054951284E+03 -0.15389E+00 -0.16737E-01 7632 0.232E+01 0.232E-01 RMM: 2 -0.371064861752E+03 -0.99105E-02 -0.71527E-02 5187 0.612E-01 0.829E-01 RMM: 3 -0.371060159871E+03 0.47019E-02 -0.64149E-03 5544 0.162E-01 0.162E-01 RMM: 4 -0.371060397356E+03 -0.23749E-03 -0.85855E-04 4631 0.707E-02 0.272E-01 RMM: 5 -0.371059952716E+03 0.44464E-03 -0.25303E-04 3893 0.401E-02 0.104E-01 RMM: 6 -0.371059901381E+03 0.51336E-04 -0.71669E-05 3492 0.236E-02 0.595E-02 RMM: 7 -0.371059929813E+03 -0.28433E-04 -0.52063E-05 3254 0.198E-02 0.923E-02 RMM: 8 -0.371059878002E+03 0.51811E-04 -0.32942E-05 2955 0.183E-02 0.207E-02 RMM: 9 -0.371059880936E+03 -0.29340E-05 -0.89237E-06 2450 0.835E-03 4016 T= 6286. E= 0.69063852E+03 F= 0.63863837E+03 E0= 0.66938061E+03 EK= 0.52000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371309641726E+03 -0.24976E+00 -0.16691E-01 7788 0.235E+01 0.228E-01 RMM: 2 -0.371317934227E+03 -0.82925E-02 -0.67599E-02 5209 0.599E-01 0.720E-01 RMM: 3 -0.371314495846E+03 0.34384E-02 -0.60290E-03 5590 0.158E-01 0.159E-01 RMM: 4 -0.371314796922E+03 -0.30108E-03 -0.77700E-04 4621 0.667E-02 0.283E-01 RMM: 5 -0.371314286054E+03 0.51087E-03 -0.24852E-04 3888 0.398E-02 0.891E-02 RMM: 6 -0.371314251156E+03 0.34898E-04 -0.63281E-05 3413 0.221E-02 0.579E-02 RMM: 7 -0.371314276430E+03 -0.25274E-04 -0.42831E-05 3041 0.185E-02 0.893E-02 RMM: 8 -0.371314228242E+03 0.48188E-04 -0.27673E-05 2750 0.167E-02 0.208E-02 RMM: 9 -0.371314231521E+03 -0.32787E-05 -0.93041E-06 2445 0.843E-03 4017 T= 6442. E= 0.69185271E+03 F= 0.63856110E+03 E0= 0.66928948E+03 EK= 0.53292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371634787082E+03 -0.32056E+00 -0.16859E-01 7728 0.238E+01 0.229E-01 RMM: 2 -0.371642653258E+03 -0.78662E-02 -0.62688E-02 5270 0.581E-01 0.727E-01 RMM: 3 -0.371639180062E+03 0.34732E-02 -0.52368E-03 5561 0.149E-01 0.161E-01 RMM: 4 -0.371639446350E+03 -0.26629E-03 -0.78599E-04 4616 0.680E-02 0.277E-01 RMM: 5 -0.371638970599E+03 0.47575E-03 -0.25701E-04 3892 0.404E-02 0.961E-02 RMM: 6 -0.371638923957E+03 0.46642E-04 -0.57905E-05 3368 0.216E-02 0.525E-02 RMM: 7 -0.371638949918E+03 -0.25961E-04 -0.44852E-05 3089 0.186E-02 0.876E-02 RMM: 8 -0.371638903582E+03 0.46337E-04 -0.29502E-05 2819 0.172E-02 0.217E-02 RMM: 9 -0.371638906426E+03 -0.28441E-05 -0.93092E-06 2449 0.843E-03 4018 T= 6609. E= 0.69308088E+03 F= 0.63840734E+03 E0= 0.66911392E+03 EK= 0.54674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371996327529E+03 -0.35742E+00 -0.17053E-01 7692 0.240E+01 0.231E-01 RMM: 2 -0.372004360276E+03 -0.80327E-02 -0.62384E-02 5350 0.578E-01 0.758E-01 RMM: 3 -0.372000616970E+03 0.37433E-02 -0.50660E-03 5521 0.148E-01 0.156E-01 RMM: 4 -0.372000917279E+03 -0.30031E-03 -0.76106E-04 4617 0.662E-02 0.279E-01 RMM: 5 -0.372000422184E+03 0.49510E-03 -0.24419E-04 3890 0.395E-02 0.909E-02 RMM: 6 -0.372000381458E+03 0.40725E-04 -0.56318E-05 3340 0.211E-02 0.533E-02 RMM: 7 -0.372000405532E+03 -0.24073E-04 -0.45236E-05 3090 0.188E-02 0.859E-02 RMM: 8 -0.372000360249E+03 0.45283E-04 -0.27314E-05 2723 0.165E-02 0.209E-02 RMM: 9 -0.372000363470E+03 -0.32217E-05 -0.94964E-06 2447 0.847E-03 4019 T= 6723. E= 0.69382644E+03 F= 0.63821121E+03 E0= 0.66888807E+03 EK= 0.55615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372360792744E+03 -0.36043E+00 -0.17120E-01 7644 0.241E+01 0.229E-01 RMM: 2 -0.372368916377E+03 -0.81236E-02 -0.62330E-02 5347 0.583E-01 0.767E-01 RMM: 3 -0.372365092395E+03 0.38240E-02 -0.50606E-03 5558 0.146E-01 0.156E-01 RMM: 4 -0.372365330871E+03 -0.23848E-03 -0.76452E-04 4617 0.668E-02 0.267E-01 RMM: 5 -0.372364887190E+03 0.44368E-03 -0.24156E-04 3888 0.392E-02 0.956E-02 RMM: 6 -0.372364841407E+03 0.45783E-04 -0.60007E-05 3386 0.220E-02 0.533E-02 RMM: 7 -0.372364869668E+03 -0.28261E-04 -0.45600E-05 3088 0.186E-02 0.907E-02 RMM: 8 -0.372364819750E+03 0.49918E-04 -0.28743E-05 2749 0.170E-02 0.216E-02 RMM: 9 -0.372364822038E+03 -0.22879E-05 -0.93497E-06 2449 0.836E-03 4020 T= 6736. E= 0.69372853E+03 F= 0.63800758E+03 E0= 0.66864747E+03 EK= 0.55721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372705931093E+03 -0.34111E+00 -0.16880E-01 7416 0.240E+01 0.233E-01 RMM: 2 -0.372715207586E+03 -0.92765E-02 -0.61774E-02 5329 0.583E-01 0.880E-01 RMM: 3 -0.372710183396E+03 0.50242E-02 -0.53306E-03 5461 0.154E-01 0.156E-01 RMM: 4 -0.372710387837E+03 -0.20444E-03 -0.77443E-04 4609 0.664E-02 0.253E-01 RMM: 5 -0.372709999905E+03 0.38793E-03 -0.21957E-04 3886 0.376E-02 0.102E-01 RMM: 6 -0.372709946412E+03 0.53494E-04 -0.69082E-05 3490 0.235E-02 0.561E-02 RMM: 7 -0.372709981090E+03 -0.34678E-04 -0.53223E-05 3270 0.202E-02 0.952E-02 RMM: 8 -0.372709924294E+03 0.56796E-04 -0.29326E-05 2812 0.172E-02 0.220E-02 RMM: 9 -0.372709925640E+03 -0.13462E-05 -0.91238E-06 2447 0.829E-03 4021 T= 6640. E= 0.69274964E+03 F= 0.63782006E+03 E0= 0.66841861E+03 EK= 0.54930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373027035422E+03 -0.31711E+00 -0.16154E-01 7416 0.238E+01 0.230E-01 RMM: 2 -0.373037152971E+03 -0.10118E-01 -0.63354E-02 5254 0.596E-01 0.933E-01 RMM: 3 -0.373031502151E+03 0.56508E-02 -0.57622E-03 5494 0.159E-01 0.153E-01 RMM: 4 -0.373031645627E+03 -0.14348E-03 -0.76370E-04 4612 0.659E-02 0.234E-01 RMM: 5 -0.373031322269E+03 0.32336E-03 -0.21316E-04 3882 0.371E-02 0.104E-01 RMM: 6 -0.373031269704E+03 0.52565E-04 -0.76463E-05 3534 0.248E-02 0.590E-02 RMM: 7 -0.373031307619E+03 -0.37915E-04 -0.52154E-05 3234 0.200E-02 0.999E-02 RMM: 8 -0.373031246484E+03 0.61135E-04 -0.30901E-05 2877 0.178E-02 0.230E-02 RMM: 9 -0.373031247048E+03 -0.56366E-06 -0.88847E-06 2447 0.819E-03 4022 T= 6473. E= 0.69120264E+03 F= 0.63765399E+03 E0= 0.66821003E+03 EK= 0.53549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373334346036E+03 -0.30310E+00 -0.15805E-01 7584 0.234E+01 0.225E-01 RMM: 2 -0.373344630472E+03 -0.10284E-01 -0.63351E-02 5195 0.600E-01 0.940E-01 RMM: 3 -0.373338887910E+03 0.57426E-02 -0.59395E-03 5400 0.165E-01 0.153E-01 RMM: 4 -0.373339014658E+03 -0.12675E-03 -0.73814E-04 4615 0.642E-02 0.220E-01 RMM: 5 -0.373338730600E+03 0.28406E-03 -0.19852E-04 3883 0.362E-02 0.105E-01 RMM: 6 -0.373338676914E+03 0.53686E-04 -0.79464E-05 3554 0.251E-02 0.614E-02 RMM: 7 -0.373338714076E+03 -0.37162E-04 -0.56003E-05 3319 0.209E-02 0.984E-02 RMM: 8 -0.373338653248E+03 0.60828E-04 -0.29877E-05 2870 0.176E-02 0.222E-02 RMM: 9 -0.373338654083E+03 -0.83478E-06 -0.87389E-06 2444 0.817E-03 4023 T= 6297. E= 0.68959575E+03 F= 0.63749982E+03 E0= 0.66801612E+03 EK= 0.52096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373646861476E+03 -0.30821E+00 -0.15344E-01 7404 0.232E+01 0.224E-01 RMM: 2 -0.373657034304E+03 -0.10173E-01 -0.57079E-02 5267 0.571E-01 0.975E-01 RMM: 3 -0.373650817832E+03 0.62165E-02 -0.52036E-03 5425 0.157E-01 0.149E-01 RMM: 4 -0.373650939582E+03 -0.12175E-03 -0.69715E-04 4600 0.625E-02 0.216E-01 RMM: 5 -0.373650665976E+03 0.27361E-03 -0.18831E-04 3882 0.351E-02 0.102E-01 RMM: 6 -0.373650617679E+03 0.48297E-04 -0.75875E-05 3538 0.246E-02 0.614E-02 RMM: 7 -0.373650651877E+03 -0.34198E-04 -0.52782E-05 3251 0.203E-02 0.977E-02 RMM: 8 -0.373650593134E+03 0.58744E-04 -0.30508E-05 2886 0.177E-02 0.213E-02 RMM: 9 -0.373650594204E+03 -0.10706E-05 -0.83677E-06 2443 0.794E-03 4024 T= 6174. E= 0.68841290E+03 F= 0.63733866E+03 E0= 0.66782064E+03 EK= 0.51074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373978194235E+03 -0.32760E+00 -0.15053E-01 7572 0.230E+01 0.209E-01 RMM: 2 -0.373986256104E+03 -0.80619E-02 -0.55333E-02 5262 0.559E-01 0.800E-01 RMM: 3 -0.373982126438E+03 0.41297E-02 -0.48371E-03 5418 0.148E-01 0.142E-01 RMM: 4 -0.373982281023E+03 -0.15459E-03 -0.61876E-04 4603 0.596E-02 0.221E-01 RMM: 5 -0.373981980491E+03 0.30053E-03 -0.17830E-04 3878 0.341E-02 0.945E-02 RMM: 6 -0.373981939152E+03 0.41338E-04 -0.68288E-05 3464 0.234E-02 0.588E-02 RMM: 7 -0.373981970284E+03 -0.31132E-04 -0.49715E-05 3219 0.198E-02 0.923E-02 RMM: 8 -0.373981916638E+03 0.53647E-04 -0.26977E-05 2753 0.167E-02 0.199E-02 RMM: 9 -0.373981917548E+03 -0.91072E-06 -0.79381E-06 2439 0.768E-03 4025 T= 6142. E= 0.68796384E+03 F= 0.63715467E+03 E0= 0.66761002E+03 EK= 0.50809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374334016421E+03 -0.35210E+00 -0.15018E-01 7752 0.231E+01 0.213E-01 RMM: 2 -0.374342603039E+03 -0.85866E-02 -0.54213E-02 5321 0.553E-01 0.857E-01 RMM: 3 -0.374337745956E+03 0.48571E-02 -0.45188E-03 5432 0.145E-01 0.135E-01 RMM: 4 -0.374337951871E+03 -0.20592E-03 -0.65237E-04 4606 0.614E-02 0.234E-01 RMM: 5 -0.374337608280E+03 0.34359E-03 -0.17566E-04 3876 0.330E-02 0.858E-02 RMM: 6 -0.374337575193E+03 0.33086E-04 -0.54954E-05 3326 0.210E-02 0.561E-02 RMM: 7 -0.374337599506E+03 -0.24312E-04 -0.48502E-05 3190 0.192E-02 0.872E-02 RMM: 8 -0.374337552562E+03 0.46943E-04 -0.27890E-05 2775 0.167E-02 0.176E-02 RMM: 9 -0.374337554114E+03 -0.15514E-05 -0.75014E-06 2437 0.749E-03 4026 T= 6211. E= 0.68832207E+03 F= 0.63694173E+03 E0= 0.66737897E+03 EK= 0.51380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374703843692E+03 -0.36629E+00 -0.14914E-01 7764 0.233E+01 0.206E-01 RMM: 2 -0.374710517737E+03 -0.66740E-02 -0.53709E-02 5353 0.550E-01 0.675E-01 RMM: 3 -0.374707599343E+03 0.29184E-02 -0.42142E-03 5491 0.136E-01 0.135E-01 RMM: 4 -0.374707823198E+03 -0.22386E-03 -0.56190E-04 4603 0.573E-02 0.242E-01 RMM: 5 -0.374707444267E+03 0.37893E-03 -0.17633E-04 3872 0.336E-02 0.825E-02 RMM: 6 -0.374707411287E+03 0.32980E-04 -0.53055E-05 3290 0.208E-02 0.516E-02 RMM: 7 -0.374707432427E+03 -0.21140E-04 -0.46932E-05 3144 0.189E-02 0.821E-02 RMM: 8 -0.374707390458E+03 0.41968E-04 -0.24185E-05 2568 0.153E-02 0.177E-02 RMM: 9 -0.374707392263E+03 -0.18045E-05 -0.79438E-06 2435 0.770E-03 4027 T= 6359. E= 0.68931723E+03 F= 0.63670898E+03 E0= 0.66713710E+03 EK= 0.52608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375062706565E+03 -0.35532E+00 -0.15295E-01 7584 0.236E+01 0.210E-01 RMM: 2 -0.375070358789E+03 -0.76522E-02 -0.60306E-02 5323 0.580E-01 0.716E-01 RMM: 3 -0.375067019266E+03 0.33395E-02 -0.47922E-03 5514 0.144E-01 0.132E-01 RMM: 4 -0.375067259876E+03 -0.24061E-03 -0.62894E-04 4600 0.612E-02 0.250E-01 RMM: 5 -0.375066852088E+03 0.40779E-03 -0.19391E-04 3877 0.350E-02 0.708E-02 RMM: 6 -0.375066833889E+03 0.18198E-04 -0.42198E-05 3122 0.184E-02 4028 T= 6537. E= 0.69056188E+03 F= 0.63648057E+03 E0= 0.66690814E+03 EK= 0.54081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375377510466E+03 -0.31066E+00 -0.15671E-01 7548 0.239E+01 0.304E-01 RMM: 2 -0.375396447235E+03 -0.18937E-01 -0.69838E-02 5309 0.631E-01 0.147E+00 RMM: 3 -0.375382166073E+03 0.14281E-01 -0.95168E-03 5335 0.232E-01 0.219E-01 RMM: 4 -0.375382119639E+03 0.46434E-04 -0.11364E-03 4623 0.725E-02 0.216E-01 RMM: 5 -0.375381884515E+03 0.23512E-03 -0.21223E-04 3891 0.354E-02 0.138E-01 RMM: 6 -0.375381773656E+03 0.11086E-03 -0.95389E-05 3647 0.280E-02 0.554E-02 RMM: 7 -0.375381811845E+03 -0.38189E-04 -0.63635E-05 3432 0.220E-02 0.991E-02 RMM: 8 -0.375381753541E+03 0.58304E-04 -0.38095E-05 2932 0.182E-02 0.361E-02 RMM: 9 -0.375381749115E+03 0.44255E-05 -0.15062E-05 2480 0.115E-02 4029 T= 6679. E= 0.69154722E+03 F= 0.63629083E+03 E0= 0.66672571E+03 EK= 0.55256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375615398730E+03 -0.23365E+00 -0.16107E-01 7548 0.240E+01 0.301E-01 RMM: 2 -0.375634373493E+03 -0.18975E-01 -0.75674E-02 5291 0.666E-01 0.145E+00 RMM: 3 -0.375620631108E+03 0.13742E-01 -0.92647E-03 5346 0.229E-01 0.281E-01 RMM: 4 -0.375620254181E+03 0.37693E-03 -0.13698E-03 4669 0.821E-02 0.188E-01 RMM: 5 -0.375620122146E+03 0.13204E-03 -0.23629E-04 3911 0.410E-02 0.139E-01 RMM: 6 -0.375619992961E+03 0.12918E-03 -0.65120E-05 3440 0.240E-02 0.365E-02 RMM: 7 -0.375620006133E+03 -0.13172E-04 -0.34807E-05 2843 0.163E-02 4030 T= 6728. E= 0.69183192E+03 F= 0.63617257E+03 E0= 0.66662197E+03 EK= 0.55659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375752852272E+03 -0.13286E+00 -0.15929E-01 7596 0.240E+01 0.230E-01 RMM: 2 -0.375764218591E+03 -0.11366E-01 -0.73644E-02 5245 0.638E-01 0.940E-01 RMM: 3 -0.375758374828E+03 0.58438E-02 -0.69393E-03 5407 0.182E-01 0.159E-01 RMM: 4 -0.375758492948E+03 -0.11812E-03 -0.73995E-04 4619 0.613E-02 0.220E-01 RMM: 5 -0.375758191927E+03 0.30102E-03 -0.16808E-04 3886 0.324E-02 0.932E-02 RMM: 6 -0.375758150318E+03 0.41609E-04 -0.64228E-05 3393 0.229E-02 0.564E-02 RMM: 7 -0.375758186526E+03 -0.36208E-04 -0.59041E-05 3423 0.208E-02 0.995E-02 RMM: 8 -0.375758126122E+03 0.60404E-04 -0.32243E-05 2860 0.177E-02 0.267E-02 RMM: 9 -0.375758125031E+03 0.10905E-05 -0.10287E-05 2448 0.915E-03 4031 T= 6662. E= 0.69126031E+03 F= 0.63615013E+03 E0= 0.66662023E+03 EK= 0.55110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375783650273E+03 -0.25524E-01 -0.15706E-01 7632 0.237E+01 0.207E-01 RMM: 2 -0.375793895359E+03 -0.10245E-01 -0.80839E-02 5118 0.671E-01 0.774E-01 RMM: 3 -0.375789964625E+03 0.39307E-02 -0.74763E-03 5655 0.173E-01 0.127E-01 RMM: 4 -0.375790097204E+03 -0.13258E-03 -0.65295E-04 4635 0.618E-02 0.233E-01 RMM: 5 -0.375789751481E+03 0.34572E-03 -0.19031E-04 3891 0.365E-02 0.717E-02 RMM: 6 -0.375789732701E+03 0.18780E-04 -0.49067E-05 3194 0.200E-02 4032 T= 6506. E= 0.69005024E+03 F= 0.63623058E+03 E0= 0.66672678E+03 EK= 0.53820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375717305446E+03 0.72446E-01 -0.15269E-01 7620 0.233E+01 0.303E-01 RMM: 2 -0.375740898200E+03 -0.23593E-01 -0.79591E-02 5179 0.672E-01 0.165E+00 RMM: 3 -0.375723078933E+03 0.17819E-01 -0.11009E-02 5345 0.247E-01 0.246E-01 RMM: 4 -0.375722795558E+03 0.28338E-03 -0.12034E-03 4657 0.724E-02 0.158E-01 RMM: 5 -0.375722756760E+03 0.38798E-04 -0.22344E-04 3901 0.384E-02 0.155E-01 RMM: 6 -0.375722608026E+03 0.14873E-03 -0.96755E-05 3713 0.277E-02 0.585E-02 RMM: 7 -0.375722661610E+03 -0.53584E-04 -0.87761E-05 3716 0.254E-02 0.110E-01 RMM: 8 -0.375722593059E+03 0.68551E-04 -0.44047E-05 3116 0.200E-02 0.440E-02 RMM: 9 -0.375722582952E+03 0.10107E-04 -0.14183E-05 2482 0.114E-02 4033 T= 6319. E= 0.68868185E+03 F= 0.63640641E+03 E0= 0.66693376E+03 EK= 0.52275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375564805628E+03 0.15779E+00 -0.14789E-01 7500 0.230E+01 0.301E-01 RMM: 2 -0.375589091488E+03 -0.24286E-01 -0.78984E-02 5061 0.684E-01 0.170E+00 RMM: 3 -0.375570414483E+03 0.18677E-01 -0.10884E-02 5343 0.251E-01 0.267E-01 RMM: 4 -0.375570019540E+03 0.39494E-03 -0.13713E-03 4725 0.808E-02 0.150E-01 RMM: 5 -0.375569998840E+03 0.20700E-04 -0.20678E-04 3884 0.368E-02 0.152E-01 RMM: 6 -0.375569844087E+03 0.15475E-03 -0.74181E-05 3528 0.254E-02 0.343E-02 RMM: 7 -0.375569864979E+03 -0.20891E-04 -0.42579E-05 3034 0.185E-02 0.732E-02 RMM: 8 -0.375569834777E+03 0.30202E-04 -0.31961E-05 2670 0.179E-02 0.290E-02 RMM: 9 -0.375569830969E+03 0.38076E-05 -0.86671E-06 2443 0.854E-03 4034 T= 6167. E= 0.68768023E+03 F= 0.63666418E+03 E0= 0.66722697E+03 EK= 0.51016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375338061984E+03 0.23177E+00 -0.14873E-01 7728 0.227E+01 0.213E-01 RMM: 2 -0.375350900090E+03 -0.12838E-01 -0.73668E-02 5098 0.635E-01 0.103E+00 RMM: 3 -0.375343836695E+03 0.70634E-02 -0.72527E-03 5434 0.185E-01 0.180E-01 RMM: 4 -0.375343760387E+03 0.76309E-04 -0.73959E-04 4632 0.611E-02 0.161E-01 RMM: 5 -0.375343626381E+03 0.13401E-03 -0.14587E-04 3879 0.311E-02 0.999E-02 RMM: 6 -0.375343570885E+03 0.55496E-04 -0.50123E-05 3228 0.207E-02 0.503E-02 RMM: 7 -0.375343608885E+03 -0.38000E-04 -0.67516E-05 3545 0.223E-02 0.954E-02 RMM: 8 -0.375343552822E+03 0.56063E-04 -0.33098E-05 2931 0.179E-02 0.265E-02 RMM: 9 -0.375343550458E+03 0.23636E-05 -0.91346E-06 2448 0.862E-03 4035 T= 6098. E= 0.68743516E+03 F= 0.63699109E+03 E0= 0.66759276E+03 EK= 0.50444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375043038670E+03 0.30051E+00 -0.14747E-01 7836 0.226E+01 0.208E-01 RMM: 2 -0.375053790962E+03 -0.10752E-01 -0.72831E-02 5085 0.638E-01 0.895E-01 RMM: 3 -0.375048637480E+03 0.51535E-02 -0.72093E-03 5543 0.179E-01 0.135E-01 RMM: 4 -0.375048670769E+03 -0.33289E-04 -0.62248E-04 4624 0.567E-02 0.184E-01 RMM: 5 -0.375048475265E+03 0.19550E-03 -0.13893E-04 3864 0.308E-02 0.870E-02 RMM: 6 -0.375048435031E+03 0.40234E-04 -0.47432E-05 3176 0.202E-02 0.449E-02 RMM: 7 -0.375048467407E+03 -0.32376E-04 -0.39978E-05 2904 0.180E-02 0.882E-02 RMM: 8 -0.375048419564E+03 0.47843E-04 -0.30002E-05 2624 0.168E-02 0.206E-02 RMM: 9 -0.375048419901E+03 -0.33712E-06 -0.86365E-06 2441 0.838E-03 4036 T= 6133. E= 0.68811440E+03 F= 0.63738161E+03 E0= 0.66802456E+03 EK= 0.50733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374673589127E+03 0.37483E+00 -0.15206E-01 8052 0.227E+01 0.187E-01 RMM: 2 -0.374683435564E+03 -0.98464E-02 -0.72449E-02 5119 0.620E-01 0.774E-01 RMM: 3 -0.374679263660E+03 0.41719E-02 -0.62730E-03 5552 0.165E-01 0.144E-01 RMM: 4 -0.374679277939E+03 -0.14279E-04 -0.61354E-04 4625 0.583E-02 0.176E-01 RMM: 5 -0.374679099337E+03 0.17860E-03 -0.14078E-04 3863 0.308E-02 0.834E-02 RMM: 6 -0.374679059870E+03 0.39467E-04 -0.32647E-05 2889 0.174E-02 0.433E-02 RMM: 7 -0.374679082904E+03 -0.23035E-04 -0.53289E-05 3303 0.199E-02 0.802E-02 RMM: 8 -0.374679044440E+03 0.38464E-04 -0.27676E-05 2712 0.161E-02 0.230E-02 RMM: 9 -0.374679044064E+03 0.37615E-06 -0.83322E-06 2440 0.809E-03 4037 T= 6262. E= 0.68964189E+03 F= 0.63784038E+03 E0= 0.66852544E+03 EK= 0.51802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374217307340E+03 0.46174E+00 -0.15943E-01 8016 0.230E+01 0.181E-01 RMM: 2 -0.374226227806E+03 -0.89205E-02 -0.73585E-02 5158 0.620E-01 0.675E-01 RMM: 3 -0.374223000150E+03 0.32277E-02 -0.60649E-03 5574 0.161E-01 0.126E-01 RMM: 4 -0.374223090538E+03 -0.90388E-04 -0.52683E-04 4591 0.539E-02 0.193E-01 RMM: 5 -0.374222852420E+03 0.23812E-03 -0.12617E-04 3838 0.288E-02 0.751E-02 RMM: 6 -0.374222825626E+03 0.26794E-04 -0.34871E-05 2974 0.174E-02 0.459E-02 RMM: 7 -0.374222845318E+03 -0.19692E-04 -0.39121E-05 2841 0.174E-02 4038 T= 6446. E= 0.69170306E+03 F= 0.63837968E+03 E0= 0.66910511E+03 EK= 0.53323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373660541168E+03 0.56228E+00 -0.17115E-01 8052 0.233E+01 0.181E-01 RMM: 2 -0.373669335776E+03 -0.87946E-02 -0.73238E-02 5241 0.614E-01 0.653E-01 RMM: 3 -0.373666185506E+03 0.31503E-02 -0.56677E-03 5558 0.159E-01 0.153E-01 RMM: 4 -0.373666195142E+03 -0.96366E-05 -0.55557E-04 4587 0.546E-02 0.180E-01 RMM: 5 -0.373665993470E+03 0.20167E-03 -0.13173E-04 3861 0.301E-02 0.645E-02 RMM: 6 -0.373665980557E+03 0.12914E-04 -0.29411E-05 2841 0.163E-02 4039 T= 6623. E= 0.69379959E+03 F= 0.63901349E+03 E0= 0.66977519E+03 EK= 0.54786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372998271808E+03 0.66772E+00 -0.18403E-01 8148 0.235E+01 0.250E-01 RMM: 2 -0.373015239802E+03 -0.16968E-01 -0.80876E-02 5188 0.634E-01 0.126E+00 RMM: 3 -0.373004405217E+03 0.10835E-01 -0.85058E-03 5363 0.213E-01 0.275E-01 RMM: 4 -0.373003975436E+03 0.42978E-03 -0.10135E-03 4653 0.696E-02 0.132E-01 RMM: 5 -0.373003933588E+03 0.41848E-04 -0.18833E-04 3883 0.360E-02 0.128E-01 RMM: 6 -0.373003833333E+03 0.10026E-03 -0.70175E-05 3451 0.245E-02 0.547E-02 RMM: 7 -0.373003863005E+03 -0.29672E-04 -0.49782E-05 3171 0.197E-02 0.912E-02 RMM: 8 -0.373003819387E+03 0.43618E-04 -0.51322E-05 3116 0.186E-02 0.487E-02 RMM: 9 -0.373003806878E+03 0.12509E-04 -0.19247E-05 2507 0.131E-02 4040 T= 6727. E= 0.69539510E+03 F= 0.63974696E+03 E0= 0.67053688E+03 EK= 0.55648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372245934073E+03 0.75789E+00 -0.19470E-01 7872 0.236E+01 0.302E-01 RMM: 2 -0.372270918981E+03 -0.24985E-01 -0.89841E-02 4947 0.702E-01 0.166E+00 RMM: 3 -0.372252503053E+03 0.18416E-01 -0.11691E-02 5364 0.256E-01 0.305E-01 RMM: 4 -0.372251936533E+03 0.56652E-03 -0.14234E-03 4773 0.819E-02 0.135E-01 RMM: 5 -0.372251926238E+03 0.10295E-04 -0.20037E-04 3885 0.347E-02 0.148E-01 RMM: 6 -0.372251791869E+03 0.13437E-03 -0.71925E-05 3505 0.251E-02 0.395E-02 RMM: 7 -0.372251793510E+03 -0.16406E-05 -0.21904E-05 2546 0.141E-02 4041 T= 6718. E= 0.69614185E+03 F= 0.64056531E+03 E0= 0.67137325E+03 EK= 0.55577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371441527978E+03 0.81026E+00 -0.19424E-01 8076 0.235E+01 0.208E-01 RMM: 2 -0.371456292570E+03 -0.14765E-01 -0.84166E-02 5259 0.635E-01 0.107E+00 RMM: 3 -0.371447826916E+03 0.84657E-02 -0.74558E-03 5377 0.195E-01 0.207E-01 RMM: 4 -0.371447605247E+03 0.22167E-03 -0.75171E-04 4678 0.604E-02 0.127E-01 RMM: 5 -0.371447572377E+03 0.32870E-04 -0.13854E-04 3879 0.310E-02 0.125E-01 RMM: 6 -0.371447478038E+03 0.94340E-04 -0.58677E-05 3326 0.225E-02 0.505E-02 RMM: 7 -0.371447526024E+03 -0.47987E-04 -0.66917E-05 3518 0.217E-02 0.104E-01 RMM: 8 -0.371447465092E+03 0.60932E-04 -0.47982E-05 3147 0.201E-02 0.414E-02 RMM: 9 -0.371447456600E+03 0.84918E-05 -0.13447E-05 2476 0.109E-02 4042 T= 6603. E= 0.69605370E+03 F= 0.64143165E+03 E0= 0.67224631E+03 EK= 0.54622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370639695841E+03 0.80777E+00 -0.19360E-01 8112 0.233E+01 0.223E-01 RMM: 2 -0.370655885413E+03 -0.16190E-01 -0.99703E-02 4945 0.713E-01 0.110E+00 RMM: 3 -0.370647381528E+03 0.85039E-02 -0.96319E-03 5520 0.212E-01 0.163E-01 RMM: 4 -0.370647364268E+03 0.17260E-04 -0.84067E-04 4699 0.650E-02 0.181E-01 RMM: 5 -0.370647182243E+03 0.18202E-03 -0.14979E-04 3863 0.312E-02 0.100E-01 RMM: 6 -0.370647124105E+03 0.58138E-04 -0.50409E-05 3191 0.209E-02 0.437E-02 RMM: 7 -0.370647141882E+03 -0.17778E-04 -0.34907E-05 2808 0.175E-02 4043 T= 6431. E= 0.69548779E+03 F= 0.64229003E+03 E0= 0.67310027E+03 EK= 0.53198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369912472635E+03 0.73465E+00 -0.19507E-01 8076 0.230E+01 0.187E-01 RMM: 2 -0.369925260114E+03 -0.12787E-01 -0.10132E-01 5168 0.705E-01 0.776E-01 RMM: 3 -0.369920627202E+03 0.46329E-02 -0.86574E-03 5643 0.189E-01 0.177E-01 RMM: 4 -0.369920467588E+03 0.15961E-03 -0.63376E-04 4649 0.565E-02 0.137E-01 RMM: 5 -0.369920361036E+03 0.10655E-03 -0.12395E-04 3874 0.290E-02 0.867E-02 RMM: 6 -0.369920330421E+03 0.30616E-04 -0.45412E-05 3153 0.195E-02 0.597E-02 RMM: 7 -0.369920373430E+03 -0.43010E-04 -0.65856E-05 3525 0.214E-02 0.105E-01 RMM: 8 -0.369920308028E+03 0.65403E-04 -0.40231E-05 3063 0.191E-02 0.279E-02 RMM: 9 -0.369920307697E+03 0.33039E-06 -0.11636E-05 2459 0.977E-03 4044 T= 6271. E= 0.69495087E+03 F= 0.64307106E+03 E0= 0.67386737E+03 EK= 0.51880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369332234661E+03 0.58807E+00 -0.18318E-01 7788 0.228E+01 0.221E-01 RMM: 2 -0.369346509880E+03 -0.14275E-01 -0.98447E-02 5176 0.697E-01 0.979E-01 RMM: 3 -0.369339725046E+03 0.67848E-02 -0.86183E-03 5735 0.189E-01 0.170E-01 RMM: 4 -0.369339626117E+03 0.98929E-04 -0.74409E-04 4653 0.621E-02 0.172E-01 RMM: 5 -0.369339473396E+03 0.15272E-03 -0.15038E-04 3866 0.312E-02 0.105E-01 RMM: 6 -0.369339409583E+03 0.63813E-04 -0.53852E-05 3263 0.218E-02 0.417E-02 RMM: 7 -0.369339426586E+03 -0.17003E-04 -0.28062E-05 2614 0.153E-02 4045 T= 6186. E= 0.69487602E+03 F= 0.64370210E+03 E0= 0.67447794E+03 EK= 0.51174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368964224834E+03 0.37518E+00 -0.17480E-01 7812 0.228E+01 0.199E-01 RMM: 2 -0.368976202292E+03 -0.11977E-01 -0.86959E-02 5347 0.646E-01 0.844E-01 RMM: 3 -0.368970869319E+03 0.53330E-02 -0.67834E-03 5668 0.171E-01 0.181E-01 RMM: 4 -0.368970730392E+03 0.13893E-03 -0.61321E-04 4648 0.550E-02 0.140E-01 RMM: 5 -0.368970616337E+03 0.11405E-03 -0.11465E-04 3848 0.266E-02 0.863E-02 RMM: 6 -0.368970585739E+03 0.30598E-04 -0.40107E-05 3084 0.185E-02 0.574E-02 RMM: 7 -0.368970628425E+03 -0.42686E-04 -0.66257E-05 3536 0.211E-02 0.104E-01 RMM: 8 -0.368970563130E+03 0.65295E-04 -0.41088E-05 3063 0.193E-02 0.249E-02 RMM: 9 -0.368970563015E+03 0.11495E-06 -0.10105E-05 2451 0.905E-03 4046 T= 6209. E= 0.69548348E+03 F= 0.64411684E+03 E0= 0.67486790E+03 EK= 0.51367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368860235743E+03 0.11033E+00 -0.17591E-01 7932 0.230E+01 0.227E-01 RMM: 2 -0.368873997689E+03 -0.13762E-01 -0.92134E-02 5167 0.691E-01 0.100E+00 RMM: 3 -0.368867311490E+03 0.66862E-02 -0.87640E-03 5694 0.190E-01 0.190E-01 RMM: 4 -0.368867122351E+03 0.18914E-03 -0.76783E-04 4656 0.624E-02 0.154E-01 RMM: 5 -0.368867027106E+03 0.95245E-04 -0.15092E-04 3869 0.300E-02 0.117E-01 RMM: 6 -0.368866942981E+03 0.84125E-04 -0.57891E-05 3333 0.224E-02 0.370E-02 RMM: 7 -0.368866953897E+03 -0.10916E-04 -0.21779E-05 2551 0.135E-02 4047 T= 6341. E= 0.69672222E+03 F= 0.64426184E+03 E0= 0.67498786E+03 EK= 0.52460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369054570401E+03 -0.18763E+00 -0.17459E-01 8040 0.233E+01 0.198E-01 RMM: 2 -0.369065941074E+03 -0.11371E-01 -0.83275E-02 5284 0.648E-01 0.827E-01 RMM: 3 -0.369061179488E+03 0.47616E-02 -0.73347E-03 5699 0.171E-01 0.184E-01 RMM: 4 -0.369060994158E+03 0.18533E-03 -0.59728E-04 4626 0.543E-02 0.134E-01 RMM: 5 -0.369060890555E+03 0.10360E-03 -0.10842E-04 3779 0.258E-02 0.827E-02 RMM: 6 -0.369060858533E+03 0.32023E-04 -0.36029E-05 2992 0.178E-02 0.516E-02 RMM: 7 -0.369060892771E+03 -0.34238E-04 -0.51241E-05 3263 0.189E-02 0.951E-02 RMM: 8 -0.369060838363E+03 0.54408E-04 -0.40538E-05 3006 0.191E-02 0.283E-02 RMM: 9 -0.369060836745E+03 0.16180E-05 -0.10929E-05 2451 0.964E-03 4048 T= 6546. E= 0.69825543E+03 F= 0.64410487E+03 E0= 0.67480770E+03 EK= 0.54151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369545070217E+03 -0.48423E+00 -0.17366E-01 8040 0.237E+01 0.216E-01 RMM: 2 -0.369557637898E+03 -0.12568E-01 -0.90198E-02 5202 0.693E-01 0.913E-01 RMM: 3 -0.369552139173E+03 0.54987E-02 -0.85383E-03 5679 0.186E-01 0.200E-01 RMM: 4 -0.369551899825E+03 0.23935E-03 -0.73942E-04 4647 0.616E-02 0.143E-01 RMM: 5 -0.369551819757E+03 0.80067E-04 -0.14947E-04 3871 0.298E-02 0.117E-01 RMM: 6 -0.369551736088E+03 0.83669E-04 -0.54190E-05 3309 0.217E-02 0.370E-02 RMM: 7 -0.369551742117E+03 -0.60287E-05 -0.19967E-05 2528 0.129E-02 4049 T= 6752. E= 0.69950643E+03 F= 0.64364659E+03 E0= 0.67433076E+03 EK= 0.55860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370293375791E+03 -0.74164E+00 -0.17424E-01 8088 0.240E+01 0.201E-01 RMM: 2 -0.370304920451E+03 -0.11545E-01 -0.83348E-02 5266 0.661E-01 0.860E-01 RMM: 3 -0.370300028090E+03 0.48924E-02 -0.74448E-03 5651 0.175E-01 0.190E-01 RMM: 4 -0.370299800358E+03 0.22773E-03 -0.62059E-04 4653 0.555E-02 0.124E-01 RMM: 5 -0.370299716835E+03 0.83524E-04 -0.11843E-04 3863 0.272E-02 0.885E-02 RMM: 6 -0.370299678005E+03 0.38830E-04 -0.38588E-05 3042 0.185E-02 0.498E-02 RMM: 7 -0.370299704264E+03 -0.26259E-04 -0.43943E-05 3097 0.181E-02 0.895E-02 RMM: 8 -0.370299655366E+03 0.48898E-04 -0.41622E-05 3022 0.191E-02 0.330E-02 RMM: 9 -0.370299652998E+03 0.23685E-05 -0.13505E-05 2468 0.107E-02 4050 T= 6878. E= 0.69982911E+03 F= 0.64292735E+03 E0= 0.67359755E+03 EK= 0.56902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371221618291E+03 -0.92196E+00 -0.17154E-01 7956 0.242E+01 0.210E-01 RMM: 2 -0.371233801486E+03 -0.12183E-01 -0.90795E-02 5212 0.699E-01 0.881E-01 RMM: 3 -0.371228779406E+03 0.50221E-02 -0.85265E-03 5679 0.183E-01 0.157E-01 RMM: 4 -0.371228707229E+03 0.72177E-04 -0.69110E-04 4645 0.599E-02 0.178E-01 RMM: 5 -0.371228531591E+03 0.17564E-03 -0.15031E-04 3864 0.307E-02 0.982E-02 RMM: 6 -0.371228473992E+03 0.57599E-04 -0.48493E-05 3215 0.204E-02 0.377E-02 RMM: 7 -0.371228480384E+03 -0.63925E-05 -0.20508E-05 2535 0.130E-02 4051 T= 6864. E= 0.69880742E+03 F= 0.64202357E+03 E0= 0.67268393E+03 EK= 0.56784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372233231517E+03 -0.10048E+01 -0.16789E-01 7848 0.241E+01 0.198E-01 RMM: 2 -0.372245399959E+03 -0.12168E-01 -0.85012E-02 5239 0.672E-01 0.891E-01 RMM: 3 -0.372240070495E+03 0.53295E-02 -0.76554E-03 5656 0.174E-01 0.180E-01 RMM: 4 -0.372239852022E+03 0.21847E-03 -0.60829E-04 4632 0.565E-02 0.120E-01 RMM: 5 -0.372239776996E+03 0.75026E-04 -0.10913E-04 3794 0.256E-02 0.920E-02 RMM: 6 -0.372239735400E+03 0.41595E-04 -0.37747E-05 2979 0.184E-02 0.528E-02 RMM: 7 -0.372239765959E+03 -0.30559E-04 -0.62426E-05 3481 0.207E-02 0.960E-02 RMM: 8 -0.372239707025E+03 0.58934E-04 -0.45363E-05 3101 0.196E-02 0.295E-02 RMM: 9 -0.372239706130E+03 0.89478E-06 -0.13301E-05 2464 0.105E-02 4052 T= 6706. E= 0.69651303E+03 F= 0.64103392E+03 E0= 0.67168685E+03 EK= 0.55479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373229760122E+03 -0.99005E+00 -0.16285E-01 7680 0.238E+01 0.236E-01 RMM: 2 -0.373244298321E+03 -0.14538E-01 -0.94774E-02 5103 0.732E-01 0.105E+00 RMM: 3 -0.373237061070E+03 0.72373E-02 -0.97039E-03 5555 0.206E-01 0.168E-01 RMM: 4 -0.373236962993E+03 0.98077E-04 -0.84080E-04 4650 0.638E-02 0.168E-01 RMM: 5 -0.373236832286E+03 0.13071E-03 -0.15707E-04 3870 0.311E-02 0.114E-01 RMM: 6 -0.373236751902E+03 0.80384E-04 -0.61877E-05 3404 0.227E-02 0.341E-02 RMM: 7 -0.373236763322E+03 -0.11420E-04 -0.22010E-05 2551 0.136E-02 4053 T= 6460. E= 0.69349941E+03 F= 0.64005492E+03 E0= 0.67070046E+03 EK= 0.53444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374138408873E+03 -0.90166E+00 -0.15428E-01 7680 0.234E+01 0.208E-01 RMM: 2 -0.374150818722E+03 -0.12410E-01 -0.81058E-02 5144 0.674E-01 0.936E-01 RMM: 3 -0.374144959453E+03 0.58593E-02 -0.79788E-03 5512 0.185E-01 0.202E-01 RMM: 4 -0.374144706208E+03 0.25325E-03 -0.68693E-04 4636 0.587E-02 0.113E-01 RMM: 5 -0.374144649949E+03 0.56259E-04 -0.11141E-04 3861 0.247E-02 0.973E-02 RMM: 6 -0.374144600605E+03 0.49344E-04 -0.42159E-05 3077 0.193E-02 0.501E-02 RMM: 7 -0.374144638255E+03 -0.37650E-04 -0.60793E-05 3419 0.207E-02 0.981E-02 RMM: 8 -0.374144576174E+03 0.62082E-04 -0.43108E-05 3067 0.191E-02 0.277E-02 RMM: 9 -0.374144573382E+03 0.27919E-05 -0.10967E-05 2448 0.961E-03 4054 T= 6210. E= 0.69053138E+03 F= 0.63916131E+03 E0= 0.66979679E+03 EK= 0.51370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374905442012E+03 -0.76087E+00 -0.14829E-01 7500 0.231E+01 0.219E-01 RMM: 2 -0.374918399536E+03 -0.12958E-01 -0.82927E-02 4987 0.700E-01 0.100E+00 RMM: 3 -0.374911939740E+03 0.64598E-02 -0.89444E-03 5525 0.200E-01 0.148E-01 RMM: 4 -0.374911922544E+03 0.17197E-04 -0.73335E-04 4638 0.610E-02 0.177E-01 RMM: 5 -0.374911744892E+03 0.17765E-03 -0.13853E-04 3860 0.301E-02 0.947E-02 RMM: 6 -0.374911691497E+03 0.53395E-04 -0.50866E-05 3229 0.209E-02 0.350E-02 RMM: 7 -0.374911708688E+03 -0.17191E-04 -0.25691E-05 2564 0.145E-02 4055 T= 6029. E= 0.68828116E+03 F= 0.63840408E+03 E0= 0.66902585E+03 EK= 0.49877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375503372589E+03 -0.59168E+00 -0.14429E-01 7548 0.229E+01 0.191E-01 RMM: 2 -0.375512948382E+03 -0.95758E-02 -0.68777E-02 5108 0.632E-01 0.785E-01 RMM: 3 -0.375508915700E+03 0.40327E-02 -0.69451E-03 5541 0.171E-01 0.166E-01 RMM: 4 -0.375508776409E+03 0.13929E-03 -0.53654E-04 4601 0.533E-02 0.127E-01 RMM: 5 -0.375508685243E+03 0.91166E-04 -0.93251E-05 3711 0.243E-02 0.857E-02 RMM: 6 -0.375508650748E+03 0.34495E-04 -0.37981E-05 2961 0.186E-02 0.499E-02 RMM: 7 -0.375508683628E+03 -0.32880E-04 -0.55047E-05 3330 0.195E-02 0.954E-02 RMM: 8 -0.375508625817E+03 0.57811E-04 -0.36646E-05 2926 0.183E-02 0.213E-02 RMM: 9 -0.375508626116E+03 -0.29965E-06 -0.10273E-05 2441 0.917E-03 4056 T= 5965. E= 0.68716256E+03 F= 0.63781231E+03 E0= 0.66841562E+03 EK= 0.49350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375908018346E+03 -0.39939E+00 -0.14568E-01 7632 0.229E+01 0.208E-01 RMM: 2 -0.375919364001E+03 -0.11346E-01 -0.76310E-02 4883 0.680E-01 0.908E-01 RMM: 3 -0.375914099711E+03 0.52643E-02 -0.85413E-03 5504 0.195E-01 0.154E-01 RMM: 4 -0.375914038960E+03 0.60751E-04 -0.68167E-04 4624 0.611E-02 0.161E-01 RMM: 5 -0.375913894367E+03 0.14459E-03 -0.12941E-04 3849 0.301E-02 0.934E-02 RMM: 6 -0.375913842994E+03 0.51372E-04 -0.46456E-05 3166 0.202E-02 0.346E-02 RMM: 7 -0.375913857518E+03 -0.14524E-04 -0.29680E-05 2575 0.155E-02 4057 T= 6031. E= 0.68730178E+03 F= 0.63740724E+03 E0= 0.66798733E+03 EK= 0.49895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376100149851E+03 -0.18631E+00 -0.14962E-01 7812 0.231E+01 0.171E-01 RMM: 2 -0.376109291798E+03 -0.91419E-02 -0.72937E-02 4929 0.653E-01 0.677E-01 RMM: 3 -0.376106296532E+03 0.29953E-02 -0.76949E-03 5506 0.178E-01 0.157E-01 RMM: 4 -0.376106189223E+03 0.10731E-03 -0.51037E-04 4598 0.537E-02 0.129E-01 RMM: 5 -0.376106076848E+03 0.11238E-03 -0.98096E-05 3755 0.264E-02 0.709E-02 RMM: 6 -0.376106063181E+03 0.13668E-04 -0.38758E-05 2960 0.184E-02 4058 T= 6206. E= 0.68854896E+03 F= 0.63721021E+03 E0= 0.66776227E+03 EK= 0.51339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376058009286E+03 0.48068E-01 -0.15300E-01 7896 0.235E+01 0.282E-01 RMM: 2 -0.376078807550E+03 -0.20798E-01 -0.82440E-02 4910 0.701E-01 0.149E+00 RMM: 3 -0.376064307300E+03 0.14500E-01 -0.12130E-02 5339 0.260E-01 0.226E-01 RMM: 4 -0.376064033053E+03 0.27425E-03 -0.10849E-03 4661 0.672E-02 0.125E-01 RMM: 5 -0.376063966547E+03 0.66506E-04 -0.15750E-04 3900 0.338E-02 0.112E-01 RMM: 6 -0.376063892342E+03 0.74205E-04 -0.63477E-05 3382 0.230E-02 0.477E-02 RMM: 7 -0.376063919431E+03 -0.27090E-04 -0.44134E-05 3042 0.196E-02 0.864E-02 RMM: 8 -0.376063869812E+03 0.49619E-04 -0.32975E-05 2626 0.164E-02 0.346E-02 RMM: 9 -0.376063866317E+03 0.34949E-05 -0.17027E-05 2470 0.121E-02 4059 T= 6436. E= 0.69048814E+03 F= 0.63724285E+03 E0= 0.66776340E+03 EK= 0.53245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375765477593E+03 0.29839E+00 -0.16038E-01 7980 0.238E+01 0.284E-01 RMM: 2 -0.375787781635E+03 -0.22304E-01 -0.88438E-02 4815 0.735E-01 0.152E+00 RMM: 3 -0.375772482793E+03 0.15299E-01 -0.12498E-02 5342 0.264E-01 0.281E-01 RMM: 4 -0.375772010897E+03 0.47190E-03 -0.13366E-03 4788 0.786E-02 0.131E-01 RMM: 5 -0.375771970408E+03 0.40488E-04 -0.19431E-04 3897 0.374E-02 0.123E-01 RMM: 6 -0.375771870419E+03 0.99989E-04 -0.57299E-05 3295 0.223E-02 0.359E-02 RMM: 7 -0.375771881518E+03 -0.11099E-04 -0.29053E-05 2655 0.158E-02 4060 T= 6646. E= 0.69250165E+03 F= 0.63752087E+03 E0= 0.66800735E+03 EK= 0.54981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375231033176E+03 0.54084E+00 -0.16130E-01 8172 0.240E+01 0.198E-01 RMM: 2 -0.375246157881E+03 -0.15125E-01 -0.89365E-02 4964 0.699E-01 0.106E+00 RMM: 3 -0.375238456475E+03 0.77014E-02 -0.10030E-02 5388 0.215E-01 0.166E-01 RMM: 4 -0.375238336706E+03 0.11977E-03 -0.71483E-04 4710 0.582E-02 0.128E-01 RMM: 5 -0.375238244986E+03 0.91720E-04 -0.12864E-04 3884 0.315E-02 0.906E-02 RMM: 6 -0.375238206062E+03 0.38925E-04 -0.52556E-05 3220 0.207E-02 0.592E-02 RMM: 7 -0.375238237153E+03 -0.31091E-04 -0.70637E-05 3658 0.227E-02 0.100E-01 RMM: 8 -0.375238171542E+03 0.65611E-04 -0.38028E-05 3019 0.184E-02 0.240E-02 RMM: 9 -0.375238177183E+03 -0.56416E-05 -0.14333E-05 2478 0.108E-02 4061 T= 6759. E= 0.69395002E+03 F= 0.63803646E+03 E0= 0.66848930E+03 EK= 0.55914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374499557798E+03 0.73861E+00 -0.16193E-01 8004 0.239E+01 0.170E-01 RMM: 2 -0.374510346029E+03 -0.10788E-01 -0.90090E-02 4862 0.706E-01 0.673E-01 RMM: 3 -0.374507049175E+03 0.32969E-02 -0.94721E-03 5517 0.201E-01 0.125E-01 RMM: 4 -0.374507103492E+03 -0.54317E-04 -0.63856E-04 4693 0.605E-02 0.177E-01 RMM: 5 -0.374506902778E+03 0.20071E-03 -0.13229E-04 3841 0.315E-02 0.714E-02 RMM: 6 -0.374506876561E+03 0.26217E-04 -0.35616E-05 2891 0.179E-02 0.413E-02 RMM: 7 -0.374506884873E+03 -0.83118E-05 -0.28936E-05 2569 0.163E-02 4062 T= 6734. E= 0.69445236E+03 F= 0.63874558E+03 E0= 0.66916577E+03 EK= 0.55707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373653911256E+03 0.85297E+00 -0.16064E-01 8004 0.236E+01 0.176E-01 RMM: 2 -0.373664840866E+03 -0.10930E-01 -0.92433E-02 5109 0.699E-01 0.650E-01 RMM: 3 -0.373661617098E+03 0.32238E-02 -0.95819E-03 5676 0.194E-01 0.136E-01 RMM: 4 -0.373661560031E+03 0.57067E-04 -0.53941E-04 4640 0.544E-02 0.149E-01 RMM: 5 -0.373661417506E+03 0.14253E-03 -0.11572E-04 3865 0.296E-02 0.730E-02 RMM: 6 -0.373661404212E+03 0.13294E-04 -0.43969E-05 3076 0.191E-02 4063 T= 6590. E= 0.69407851E+03 F= 0.63956473E+03 E0= 0.66995650E+03 EK= 0.54514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372804483788E+03 0.85693E+00 -0.15951E-01 7872 0.232E+01 0.302E-01 RMM: 2 -0.372834265593E+03 -0.29782E-01 -0.10267E-01 4912 0.740E-01 0.179E+00 RMM: 3 -0.372812466863E+03 0.21799E-01 -0.14605E-02 5351 0.281E-01 0.274E-01 RMM: 4 -0.372812027751E+03 0.43911E-03 -0.14250E-03 4750 0.755E-02 0.127E-01 RMM: 5 -0.372812015975E+03 0.11776E-04 -0.19740E-04 3958 0.367E-02 4064 T= 6394. E= 0.69327877E+03 F= 0.64038349E+03 E0= 0.67075189E+03 EK= 0.52895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372065732522E+03 0.74630E+00 -0.15271E-01 7944 0.228E+01 0.326E-01 RMM: 2 -0.372097089048E+03 -0.31357E-01 -0.93609E-02 5167 0.702E-01 0.192E+00 RMM: 3 -0.372072777519E+03 0.24312E-01 -0.13198E-02 5357 0.273E-01 0.345E-01 RMM: 4 -0.372072001105E+03 0.77641E-03 -0.15214E-03 4754 0.818E-02 0.125E-01 RMM: 5 -0.372071998865E+03 0.22404E-05 -0.23758E-04 3934 0.392E-02 0.148E-01 RMM: 6 -0.372071861495E+03 0.13737E-03 -0.10489E-04 3845 0.283E-02 0.612E-02 RMM: 7 -0.372071921064E+03 -0.59569E-04 -0.78384E-05 3610 0.225E-02 0.119E-01 RMM: 8 -0.372071841372E+03 0.79692E-04 -0.88379E-05 3880 0.258E-02 0.500E-02 RMM: 9 -0.372071826659E+03 0.14714E-04 -0.14749E-05 2503 0.119E-02 4065 T= 6229. E= 0.69262089E+03 F= 0.64108862E+03 E0= 0.67143928E+03 EK= 0.51532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371532046690E+03 0.53979E+00 -0.15045E-01 7980 0.225E+01 0.242E-01 RMM: 2 -0.371548559785E+03 -0.16513E-01 -0.91722E-02 4946 0.693E-01 0.118E+00 RMM: 3 -0.371539148462E+03 0.94113E-02 -0.96965E-03 5477 0.211E-01 0.204E-01 RMM: 4 -0.371539025199E+03 0.12326E-03 -0.98693E-04 4680 0.701E-02 0.179E-01 RMM: 5 -0.371538892258E+03 0.13294E-03 -0.19243E-04 3886 0.345E-02 0.118E-01 RMM: 6 -0.371538805291E+03 0.86967E-04 -0.66319E-05 3436 0.240E-02 0.306E-02 RMM: 7 -0.371538808382E+03 -0.30912E-05 -0.15853E-05 2501 0.118E-02 4066 T= 6160. E= 0.69254189E+03 F= 0.64158221E+03 E0= 0.67192188E+03 EK= 0.50960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371274324581E+03 0.26448E+00 -0.14758E-01 8460 0.225E+01 0.199E-01 RMM: 2 -0.371285211708E+03 -0.10887E-01 -0.76682E-02 5305 0.613E-01 0.840E-01 RMM: 3 -0.371280230905E+03 0.49808E-02 -0.64526E-03 5610 0.165E-01 0.184E-01 RMM: 4 -0.371280013582E+03 0.21732E-03 -0.55638E-04 4691 0.518E-02 0.113E-01 RMM: 5 -0.371279939239E+03 0.74343E-04 -0.10314E-04 3846 0.250E-02 0.794E-02 RMM: 6 -0.371279913947E+03 0.25292E-04 -0.44664E-05 3126 0.195E-02 0.567E-02 RMM: 7 -0.371279947088E+03 -0.33141E-04 -0.57871E-05 3405 0.199E-02 0.954E-02 RMM: 8 -0.371279888364E+03 0.58724E-04 -0.36878E-05 2947 0.186E-02 0.256E-02 RMM: 9 -0.371279885554E+03 0.28106E-05 -0.80951E-06 2439 0.804E-03 4067 T= 6216. E= 0.69321902E+03 F= 0.64179761E+03 E0= 0.67213334E+03 EK= 0.51421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371321413885E+03 -0.41526E-01 -0.15268E-01 8472 0.227E+01 0.170E-01 RMM: 2 -0.371331300947E+03 -0.98871E-02 -0.72107E-02 5287 0.589E-01 0.765E-01 RMM: 3 -0.371326992448E+03 0.43085E-02 -0.54909E-03 5563 0.150E-01 0.128E-01 RMM: 4 -0.371326957494E+03 0.34954E-04 -0.49926E-04 4418 0.507E-02 0.145E-01 RMM: 5 -0.371326848765E+03 0.10873E-03 -0.11494E-04 3838 0.287E-02 0.856E-02 RMM: 6 -0.371326804844E+03 0.43921E-04 -0.38088E-05 3014 0.185E-02 0.397E-02 RMM: 7 -0.371326824471E+03 -0.19626E-04 -0.30889E-05 2727 0.159E-02 4068 T= 6385. E= 0.69452083E+03 F= 0.64170344E+03 E0= 0.67204166E+03 EK= 0.52817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371666840797E+03 -0.34004E+00 -0.16065E-01 8796 0.230E+01 0.188E-01 RMM: 2 -0.371677312380E+03 -0.10472E-01 -0.69125E-02 5341 0.584E-01 0.868E-01 RMM: 3 -0.371672105188E+03 0.52072E-02 -0.53975E-03 5530 0.156E-01 0.186E-01 RMM: 4 -0.371671891566E+03 0.21362E-03 -0.53428E-04 4619 0.511E-02 0.988E-02 RMM: 5 -0.371671842589E+03 0.48978E-04 -0.10440E-04 3814 0.267E-02 0.804E-02 RMM: 6 -0.371671815149E+03 0.27440E-04 -0.37648E-05 3022 0.181E-02 0.538E-02 RMM: 7 -0.371671838748E+03 -0.23599E-04 -0.42607E-05 3084 0.178E-02 0.877E-02 RMM: 8 -0.371671789823E+03 0.48924E-04 -0.32434E-05 2893 0.179E-02 0.235E-02 RMM: 9 -0.371671789652E+03 0.17111E-06 -0.87686E-06 2445 0.834E-03 4069 T= 6613. E= 0.69601122E+03 F= 0.64130785E+03 E0= 0.67165471E+03 EK= 0.54703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372264530881E+03 -0.59274E+00 -0.17149E-01 8352 0.234E+01 0.161E-01 RMM: 2 -0.372274116357E+03 -0.95855E-02 -0.76481E-02 5248 0.613E-01 0.696E-01 RMM: 3 -0.372270642985E+03 0.34734E-02 -0.59843E-03 5652 0.152E-01 0.139E-01 RMM: 4 -0.372270532975E+03 0.11001E-03 -0.49005E-04 4371 0.518E-02 0.125E-01 RMM: 5 -0.372270447600E+03 0.85376E-04 -0.11832E-04 3818 0.298E-02 0.788E-02 RMM: 6 -0.372270414346E+03 0.33254E-04 -0.36034E-05 2984 0.179E-02 0.455E-02 RMM: 7 -0.372270426911E+03 -0.12565E-04 -0.35446E-05 2818 0.173E-02 4070 T= 6814. E= 0.69702803E+03 F= 0.64065528E+03 E0= 0.67101519E+03 EK= 0.56373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373040573679E+03 -0.77016E+00 -0.17659E-01 8172 0.237E+01 0.182E-01 RMM: 2 -0.373051197280E+03 -0.10624E-01 -0.78601E-02 5251 0.636E-01 0.805E-01 RMM: 3 -0.373046789506E+03 0.44078E-02 -0.67527E-03 5740 0.162E-01 0.173E-01 RMM: 4 -0.373046575545E+03 0.21396E-03 -0.52576E-04 4624 0.520E-02 0.112E-01 RMM: 5 -0.373046499611E+03 0.75934E-04 -0.11931E-04 3857 0.288E-02 0.798E-02 RMM: 6 -0.373046483766E+03 0.15845E-04 -0.46429E-05 3160 0.196E-02 4071 T= 6903. E= 0.69692468E+03 F= 0.63982169E+03 E0= 0.67019733E+03 EK= 0.57103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373903913755E+03 -0.85741E+00 -0.18082E-01 7980 0.238E+01 0.289E-01 RMM: 2 -0.373924362872E+03 -0.20449E-01 -0.85947E-02 5184 0.671E-01 0.146E+00 RMM: 3 -0.373910373241E+03 0.13990E-01 -0.11011E-02 5363 0.243E-01 0.301E-01 RMM: 4 -0.373909795548E+03 0.57769E-03 -0.11815E-03 4672 0.699E-02 0.110E-01 RMM: 5 -0.373909785960E+03 0.95877E-05 -0.20802E-04 3881 0.377E-02 0.123E-01 RMM: 6 -0.373909692238E+03 0.93723E-04 -0.79264E-05 3590 0.252E-02 0.549E-02 RMM: 7 -0.373909720188E+03 -0.27950E-04 -0.53852E-05 3285 0.207E-02 0.898E-02 RMM: 8 -0.373909677256E+03 0.42932E-04 -0.29983E-05 2710 0.167E-02 0.525E-02 RMM: 9 -0.373909661281E+03 0.15975E-04 -0.17337E-05 2493 0.124E-02 4072 T= 6832. E= 0.69541155E+03 F= 0.63889667E+03 E0= 0.66928900E+03 EK= 0.56515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374769706148E+03 -0.86003E+00 -0.17801E-01 7752 0.235E+01 0.313E-01 RMM: 2 -0.374794460823E+03 -0.24755E-01 -0.86283E-02 5157 0.690E-01 0.167E+00 RMM: 3 -0.374776003062E+03 0.18458E-01 -0.11588E-02 5355 0.254E-01 0.318E-01 RMM: 4 -0.374775331695E+03 0.67137E-03 -0.14669E-03 4683 0.804E-02 0.113E-01 RMM: 5 -0.374775357692E+03 -0.25997E-04 -0.22074E-04 3890 0.364E-02 0.145E-01 RMM: 6 -0.374775227524E+03 0.13017E-03 -0.76592E-05 3581 0.255E-02 0.409E-02 RMM: 7 -0.374775237636E+03 -0.10111E-04 -0.29520E-05 2776 0.158E-02 4073 T= 6624. E= 0.69276010E+03 F= 0.63796402E+03 E0= 0.66837309E+03 EK= 0.54796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375572741543E+03 -0.79751E+00 -0.17313E-01 7836 0.232E+01 0.213E-01 RMM: 2 -0.375586744977E+03 -0.14003E-01 -0.80057E-02 5144 0.627E-01 0.106E+00 RMM: 3 -0.375579087576E+03 0.76574E-02 -0.79324E-03 5419 0.190E-01 0.207E-01 RMM: 4 -0.375578868847E+03 0.21873E-03 -0.79861E-04 4662 0.602E-02 0.128E-01 RMM: 5 -0.375578838599E+03 0.30248E-04 -0.16903E-04 3885 0.332E-02 0.131E-01 RMM: 6 -0.375578733373E+03 0.10523E-03 -0.77620E-05 3554 0.246E-02 0.509E-02 RMM: 7 -0.375578781705E+03 -0.48332E-04 -0.68417E-05 3509 0.222E-02 0.104E-01 RMM: 8 -0.375578715991E+03 0.65714E-04 -0.36960E-05 2981 0.190E-02 0.409E-02 RMM: 9 -0.375578706414E+03 0.95772E-05 -0.11989E-05 2464 0.101E-02 4074 T= 6356. E= 0.68967040E+03 F= 0.63708734E+03 E0= 0.66751206E+03 EK= 0.52583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376275802788E+03 -0.69709E+00 -0.16597E-01 7812 0.228E+01 0.201E-01 RMM: 2 -0.376286696008E+03 -0.10893E-01 -0.72342E-02 5059 0.623E-01 0.901E-01 RMM: 3 -0.376281293954E+03 0.54021E-02 -0.71374E-03 5532 0.175E-01 0.138E-01 RMM: 4 -0.376281307297E+03 -0.13343E-04 -0.64447E-04 4641 0.567E-02 0.178E-01 RMM: 5 -0.376281124050E+03 0.18325E-03 -0.13420E-04 3848 0.288E-02 0.864E-02 RMM: 6 -0.376281084813E+03 0.39238E-04 -0.48155E-05 3204 0.203E-02 0.431E-02 RMM: 7 -0.376281106588E+03 -0.21775E-04 -0.31951E-05 2764 0.162E-02 0.787E-02 RMM: 8 -0.376281066213E+03 0.40375E-04 -0.25693E-05 2584 0.158E-02 0.218E-02 RMM: 9 -0.376281064722E+03 0.14912E-05 -0.76089E-06 2433 0.777E-03 4075 T= 6119. E= 0.68692783E+03 F= 0.63630505E+03 E0= 0.66674465E+03 EK= 0.50623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376856092545E+03 -0.57503E+00 -0.15480E-01 7884 0.225E+01 0.199E-01 RMM: 2 -0.376866964433E+03 -0.10872E-01 -0.65730E-02 5099 0.596E-01 0.939E-01 RMM: 3 -0.376861136114E+03 0.58283E-02 -0.65784E-03 5479 0.170E-01 0.156E-01 RMM: 4 -0.376861068581E+03 0.67533E-04 -0.65268E-04 4623 0.572E-02 0.149E-01 RMM: 5 -0.376860966008E+03 0.10257E-03 -0.13643E-04 3869 0.293E-02 0.104E-01 RMM: 6 -0.376860903361E+03 0.62647E-04 -0.50319E-05 3236 0.207E-02 0.452E-02 RMM: 7 -0.376860936595E+03 -0.33234E-04 -0.52253E-05 3295 0.200E-02 0.906E-02 RMM: 8 -0.376860884666E+03 0.51928E-04 -0.27577E-05 2791 0.168E-02 0.247E-02 RMM: 9 -0.376860882548E+03 0.21181E-05 -0.79172E-06 2444 0.780E-03 4076 T= 5982. E= 0.68512576E+03 F= 0.63563852E+03 E0= 0.66609187E+03 EK= 0.49487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377301028603E+03 -0.44014E+00 -0.14908E-01 7740 0.224E+01 0.187E-01 RMM: 2 -0.377310139630E+03 -0.91110E-02 -0.64172E-02 5136 0.584E-01 0.797E-01 RMM: 3 -0.377305927942E+03 0.42117E-02 -0.60315E-03 5592 0.155E-01 0.128E-01 RMM: 4 -0.377305941348E+03 -0.13406E-04 -0.51660E-04 4608 0.529E-02 0.171E-01 RMM: 5 -0.377305756529E+03 0.18482E-03 -0.12502E-04 3863 0.285E-02 0.756E-02 RMM: 6 -0.377305740289E+03 0.16240E-04 -0.56121E-05 3331 0.211E-02 4077 T= 5979. E= 0.68455990E+03 F= 0.63510075E+03 E0= 0.66556725E+03 EK= 0.49459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377600377734E+03 -0.29462E+00 -0.15434E-01 7716 0.225E+01 0.306E-01 RMM: 2 -0.377625935324E+03 -0.25558E-01 -0.70040E-02 5147 0.623E-01 0.178E+00 RMM: 3 -0.377605253879E+03 0.20681E-01 -0.11225E-02 5345 0.254E-01 0.273E-01 RMM: 4 -0.377604823501E+03 0.43038E-03 -0.12434E-03 4641 0.714E-02 0.129E-01 RMM: 5 -0.377604828573E+03 -0.50726E-05 -0.22931E-04 3895 0.389E-02 0.159E-01 RMM: 6 -0.377604675739E+03 0.15283E-03 -0.11878E-04 3847 0.304E-02 0.636E-02 RMM: 7 -0.377604720726E+03 -0.44988E-04 -0.86664E-05 3648 0.253E-02 0.109E-01 RMM: 8 -0.377604645531E+03 0.75195E-04 -0.37329E-05 3054 0.191E-02 0.387E-02 RMM: 9 -0.377604638239E+03 0.72923E-05 -0.12709E-05 2476 0.105E-02 4078 T= 6107. E= 0.68522640E+03 F= 0.63470378E+03 E0= 0.66518096E+03 EK= 0.50523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377741414791E+03 -0.13677E+00 -0.15791E-01 7464 0.229E+01 0.295E-01 RMM: 2 -0.377764546709E+03 -0.23132E-01 -0.64694E-02 5213 0.611E-01 0.169E+00 RMM: 3 -0.377745923549E+03 0.18623E-01 -0.96425E-03 5349 0.237E-01 0.309E-01 RMM: 4 -0.377745295383E+03 0.62817E-03 -0.12649E-03 4622 0.763E-02 0.115E-01 RMM: 5 -0.377745318903E+03 -0.23520E-04 -0.20650E-04 3876 0.378E-02 0.149E-01 RMM: 6 -0.377745174199E+03 0.14470E-03 -0.78625E-05 3610 0.259E-02 0.359E-02 RMM: 7 -0.377745199341E+03 -0.25142E-04 -0.48434E-05 3163 0.193E-02 0.808E-02 RMM: 8 -0.377745158638E+03 0.40703E-04 -0.30951E-05 2830 0.182E-02 0.237E-02 RMM: 9 -0.377745156257E+03 0.23804E-05 -0.73410E-06 2438 0.752E-03 4079 T= 6330. E= 0.68683120E+03 F= 0.63446120E+03 E0= 0.66494752E+03 EK= 0.52370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377710123284E+03 0.35035E-01 -0.16609E-01 7644 0.233E+01 0.219E-01 RMM: 2 -0.377723694323E+03 -0.13571E-01 -0.66654E-02 5189 0.609E-01 0.114E+00 RMM: 3 -0.377715207401E+03 0.84869E-02 -0.69952E-03 5408 0.183E-01 0.194E-01 RMM: 4 -0.377715004324E+03 0.20308E-03 -0.74490E-04 4625 0.591E-02 0.125E-01 RMM: 5 -0.377714930255E+03 0.74069E-04 -0.16467E-04 3870 0.346E-02 0.104E-01 RMM: 6 -0.377714877156E+03 0.53099E-04 -0.71808E-05 3539 0.238E-02 0.639E-02 RMM: 7 -0.377714906487E+03 -0.29331E-04 -0.67408E-05 3514 0.228E-02 0.100E-01 RMM: 8 -0.377714842438E+03 0.64048E-04 -0.32731E-05 2989 0.180E-02 0.272E-02 RMM: 9 -0.377714841397E+03 0.10408E-05 -0.10262E-05 2456 0.881E-03 4080 T= 6579. E= 0.68881247E+03 F= 0.63438632E+03 E0= 0.66487922E+03 EK= 0.54426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377508708167E+03 0.20613E+00 -0.16901E-01 7680 0.237E+01 0.207E-01 RMM: 2 -0.377519084139E+03 -0.10376E-01 -0.67887E-02 5168 0.633E-01 0.905E-01 RMM: 3 -0.377513841728E+03 0.52424E-02 -0.68692E-03 5529 0.176E-01 0.132E-01 RMM: 4 -0.377513806777E+03 0.34951E-04 -0.56384E-04 4625 0.530E-02 0.163E-01 RMM: 5 -0.377513646749E+03 0.16003E-03 -0.15023E-04 3861 0.342E-02 0.832E-02 RMM: 6 -0.377513631300E+03 0.15449E-04 -0.82503E-05 3592 0.249E-02 4081 T= 6766. E= 0.69045310E+03 F= 0.63447947E+03 E0= 0.66497732E+03 EK= 0.55974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377158708507E+03 0.35494E+00 -0.17120E-01 7356 0.238E+01 0.287E-01 RMM: 2 -0.377181769824E+03 -0.23061E-01 -0.68409E-02 5242 0.626E-01 0.166E+00 RMM: 3 -0.377163586839E+03 0.18183E-01 -0.97091E-03 5348 0.234E-01 0.240E-01 RMM: 4 -0.377163294764E+03 0.29208E-03 -0.10831E-03 4644 0.684E-02 0.148E-01 RMM: 5 -0.377163254436E+03 0.40328E-04 -0.24057E-04 3950 0.424E-02 0.154E-01 RMM: 6 -0.377163114318E+03 0.14012E-03 -0.11902E-04 3858 0.299E-02 0.686E-02 RMM: 7 -0.377163177658E+03 -0.63341E-04 -0.11121E-04 3845 0.283E-02 0.124E-01 RMM: 8 -0.377163075043E+03 0.10262E-03 -0.54702E-05 3336 0.225E-02 0.310E-02 RMM: 9 -0.377163074368E+03 0.67484E-06 -0.12764E-05 2486 0.103E-02 4082 T= 6821. E= 0.69114723E+03 F= 0.63471868E+03 E0= 0.66521936E+03 EK= 0.56429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376705573065E+03 0.45750E+00 -0.17260E-01 7284 0.238E+01 0.304E-01 RMM: 2 -0.376731970924E+03 -0.26398E-01 -0.76685E-02 4975 0.689E-01 0.179E+00 RMM: 3 -0.376711044651E+03 0.20926E-01 -0.11582E-02 5348 0.261E-01 0.279E-01 RMM: 4 -0.376710580470E+03 0.46418E-03 -0.13434E-03 4724 0.788E-02 0.135E-01 RMM: 5 -0.376710601591E+03 -0.21121E-04 -0.23208E-04 3907 0.404E-02 0.161E-01 RMM: 6 -0.376710434871E+03 0.16672E-03 -0.97947E-05 3726 0.285E-02 0.393E-02 RMM: 7 -0.376710464608E+03 -0.29737E-04 -0.47388E-05 3146 0.196E-02 0.835E-02 RMM: 8 -0.376710421256E+03 0.43353E-04 -0.29317E-05 2728 0.176E-02 0.261E-02 RMM: 9 -0.376710418256E+03 0.29997E-05 -0.81066E-06 2442 0.836E-03 4083 T= 6726. E= 0.69069982E+03 F= 0.63505578E+03 E0= 0.66556007E+03 EK= 0.55644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376214712668E+03 0.49571E+00 -0.17069E-01 7380 0.235E+01 0.238E-01 RMM: 2 -0.376228501877E+03 -0.13789E-01 -0.74055E-02 4983 0.657E-01 0.111E+00 RMM: 3 -0.376220471389E+03 0.80305E-02 -0.84630E-03 5384 0.202E-01 0.204E-01 RMM: 4 -0.376220351555E+03 0.11983E-03 -0.90900E-04 4655 0.682E-02 0.173E-01 RMM: 5 -0.376220241384E+03 0.11017E-03 -0.20963E-04 3920 0.380E-02 0.140E-01 RMM: 6 -0.376220125837E+03 0.11555E-03 -0.89599E-05 3614 0.268E-02 0.543E-02 RMM: 7 -0.376220177477E+03 -0.51641E-04 -0.71509E-05 3540 0.230E-02 0.108E-01 RMM: 8 -0.376220102961E+03 0.74516E-04 -0.37333E-05 3036 0.194E-02 0.323E-02 RMM: 9 -0.376220097830E+03 0.51315E-05 -0.10375E-05 2459 0.937E-03 4084 T= 6527. E= 0.68942372E+03 F= 0.63542529E+03 E0= 0.66593478E+03 EK= 0.53998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375758434031E+03 0.46167E+00 -0.16924E-01 7368 0.232E+01 0.209E-01 RMM: 2 -0.375768721292E+03 -0.10287E-01 -0.74331E-02 4882 0.655E-01 0.807E-01 RMM: 3 -0.375764356018E+03 0.43653E-02 -0.79256E-03 5434 0.186E-01 0.165E-01 RMM: 4 -0.375764373201E+03 -0.17183E-04 -0.73688E-04 4633 0.651E-02 0.198E-01 RMM: 5 -0.375764152442E+03 0.22076E-03 -0.18542E-04 3888 0.369E-02 0.102E-01 RMM: 6 -0.375764098633E+03 0.53809E-04 -0.65769E-05 3421 0.233E-02 0.519E-02 RMM: 7 -0.375764130076E+03 -0.31443E-04 -0.43371E-05 3078 0.189E-02 0.935E-02 RMM: 8 -0.375764074227E+03 0.55849E-04 -0.29230E-05 2740 0.174E-02 0.197E-02 RMM: 9 -0.375764074417E+03 -0.19006E-06 -0.80386E-06 2439 0.815E-03 4085 T= 6308. E= 0.68793695E+03 F= 0.63575451E+03 E0= 0.66627204E+03 EK= 0.52182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375395320726E+03 0.36875E+00 -0.16553E-01 7512 0.229E+01 0.214E-01 RMM: 2 -0.375406019129E+03 -0.10698E-01 -0.72610E-02 4855 0.649E-01 0.855E-01 RMM: 3 -0.375401107438E+03 0.49117E-02 -0.79263E-03 5400 0.190E-01 0.178E-01 RMM: 4 -0.375401100024E+03 0.74138E-05 -0.81568E-04 4652 0.674E-02 0.191E-01 RMM: 5 -0.375400922088E+03 0.17794E-03 -0.20108E-04 3903 0.377E-02 0.119E-01 RMM: 6 -0.375400839602E+03 0.82487E-04 -0.66025E-05 3419 0.235E-02 0.474E-02 RMM: 7 -0.375400879106E+03 -0.39505E-04 -0.51278E-05 3225 0.200E-02 0.958E-02 RMM: 8 -0.375400820484E+03 0.58622E-04 -0.30114E-05 2826 0.181E-02 0.222E-02 RMM: 9 -0.375400819383E+03 0.11018E-05 -0.76821E-06 2442 0.786E-03 4086 T= 6149. E= 0.68685444E+03 F= 0.63598485E+03 E0= 0.66651332E+03 EK= 0.50870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375160073501E+03 0.24075E+00 -0.15954E-01 7452 0.228E+01 0.209E-01 RMM: 2 -0.375169139944E+03 -0.90664E-02 -0.60152E-02 4959 0.593E-01 0.819E-01 RMM: 3 -0.375164702090E+03 0.44379E-02 -0.63925E-03 5368 0.173E-01 0.164E-01 RMM: 4 -0.375164730757E+03 -0.28668E-04 -0.66977E-04 4593 0.605E-02 0.193E-01 RMM: 5 -0.375164538086E+03 0.19267E-03 -0.18911E-04 3891 0.372E-02 0.115E-01 RMM: 6 -0.375164466897E+03 0.71189E-04 -0.78890E-05 3558 0.252E-02 0.555E-02 RMM: 7 -0.375164508285E+03 -0.41388E-04 -0.49196E-05 3206 0.197E-02 0.102E-01 RMM: 8 -0.375164441705E+03 0.66580E-04 -0.31878E-05 2909 0.182E-02 0.220E-02 RMM: 9 -0.375164441212E+03 0.49227E-06 -0.80831E-06 2444 0.816E-03 4087 T= 6103. E= 0.68657513E+03 F= 0.63608282E+03 E0= 0.66662525E+03 EK= 0.50492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375058020727E+03 0.10642E+00 -0.15730E-01 7512 0.229E+01 0.205E-01 RMM: 2 -0.375067260879E+03 -0.92402E-02 -0.62198E-02 4954 0.602E-01 0.817E-01 RMM: 3 -0.375062881533E+03 0.43793E-02 -0.65682E-03 5365 0.174E-01 0.179E-01 RMM: 4 -0.375062792261E+03 0.89272E-04 -0.67334E-04 4587 0.603E-02 0.159E-01 RMM: 5 -0.375062671510E+03 0.12075E-03 -0.20006E-04 3904 0.390E-02 0.112E-01 RMM: 6 -0.375062610485E+03 0.61024E-04 -0.74969E-05 3510 0.245E-02 0.627E-02 RMM: 7 -0.375062642308E+03 -0.31822E-04 -0.53378E-05 3289 0.206E-02 0.985E-02 RMM: 8 -0.375062580727E+03 0.61581E-04 -0.30001E-05 2898 0.179E-02 0.222E-02 RMM: 9 -0.375062580704E+03 0.22599E-07 -0.81471E-06 2447 0.809E-03 4088 T= 6185. E= 0.68720682E+03 F= 0.63604189E+03 E0= 0.66660060E+03 EK= 0.51165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375068358127E+03 -0.57774E-02 -0.15813E-01 7488 0.233E+01 0.200E-01 RMM: 2 -0.375077703941E+03 -0.93458E-02 -0.61062E-02 5088 0.599E-01 0.834E-01 RMM: 3 -0.375073144242E+03 0.45597E-02 -0.61620E-03 5384 0.167E-01 0.175E-01 RMM: 4 -0.375073033179E+03 0.11106E-03 -0.58913E-04 4580 0.559E-02 0.146E-01 RMM: 5 -0.375072921853E+03 0.11133E-03 -0.20245E-04 3903 0.399E-02 0.108E-01 RMM: 6 -0.375072882176E+03 0.39677E-04 -0.98989E-05 3720 0.274E-02 0.797E-02 RMM: 7 -0.375072906187E+03 -0.24010E-04 -0.56205E-05 3348 0.212E-02 0.106E-01 RMM: 8 -0.375072835436E+03 0.70751E-04 -0.34046E-05 3024 0.183E-02 0.238E-02 RMM: 9 -0.375072836725E+03 -0.12891E-05 -0.10036E-05 2456 0.895E-03 4089 T= 6367. E= 0.68855770E+03 F= 0.63588570E+03 E0= 0.66646301E+03 EK= 0.52672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375140772727E+03 -0.67937E-01 -0.16555E-01 7392 0.237E+01 0.189E-01 RMM: 2 -0.375150269877E+03 -0.94971E-02 -0.69700E-02 5126 0.630E-01 0.765E-01 RMM: 3 -0.375146403535E+03 0.38663E-02 -0.66077E-03 5451 0.165E-01 0.172E-01 RMM: 4 -0.375146254572E+03 0.14896E-03 -0.57314E-04 4554 0.558E-02 0.135E-01 RMM: 5 -0.375146142776E+03 0.11180E-03 -0.20394E-04 3923 0.406E-02 0.952E-02 RMM: 6 -0.375146139486E+03 0.32896E-05 -0.95814E-05 3674 0.266E-02 4090 T= 6587. E= 0.69015820E+03 F= 0.63566412E+03 E0= 0.66626163E+03 EK= 0.54494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375211592207E+03 -0.65449E-01 -0.17315E-01 7500 0.241E+01 0.333E-01 RMM: 2 -0.375237433799E+03 -0.25842E-01 -0.76284E-02 5178 0.677E-01 0.179E+00 RMM: 3 -0.375216937387E+03 0.20496E-01 -0.12550E-02 5334 0.271E-01 0.287E-01 RMM: 4 -0.375216462342E+03 0.47504E-03 -0.12391E-03 4656 0.699E-02 0.139E-01 RMM: 5 -0.375216424995E+03 0.37348E-04 -0.36113E-04 4493 0.537E-02 0.162E-01 RMM: 6 -0.375216298796E+03 0.12620E-03 -0.19418E-04 3880 0.373E-02 0.939E-02 RMM: 7 -0.375216378407E+03 -0.79611E-04 -0.13075E-04 3881 0.306E-02 0.148E-01 RMM: 8 -0.375216238277E+03 0.14013E-03 -0.74390E-05 3539 0.254E-02 0.415E-02 RMM: 9 -0.375216235255E+03 0.30221E-05 -0.18874E-05 2546 0.126E-02 4091 T= 6760. E= 0.69137064E+03 F= 0.63544346E+03 E0= 0.66606300E+03 EK= 0.55927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375212480189E+03 0.37581E-02 -0.17794E-01 7260 0.243E+01 0.292E-01 RMM: 2 -0.375237132063E+03 -0.24652E-01 -0.73719E-02 5107 0.652E-01 0.173E+00 RMM: 3 -0.375217984945E+03 0.19147E-01 -0.11003E-02 5338 0.253E-01 0.306E-01 RMM: 4 -0.375217410604E+03 0.57434E-03 -0.12269E-03 4645 0.737E-02 0.130E-01 RMM: 5 -0.375217386781E+03 0.23823E-04 -0.27714E-04 4211 0.471E-02 0.141E-01 RMM: 6 -0.375217262489E+03 0.12429E-03 -0.11442E-04 3827 0.296E-02 0.591E-02 RMM: 7 -0.375217320083E+03 -0.57594E-04 -0.74225E-05 3520 0.231E-02 0.115E-01 RMM: 8 -0.375217234262E+03 0.85821E-04 -0.41942E-05 3132 0.203E-02 0.250E-02 RMM: 9 -0.375217232327E+03 0.19354E-05 -0.10070E-05 2458 0.898E-03 4092 T= 6812. E= 0.69164059E+03 F= 0.63528878E+03 E0= 0.66593129E+03 EK= 0.56352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375098932708E+03 0.11830E+00 -0.17417E-01 7092 0.243E+01 0.232E-01 RMM: 2 -0.375110257027E+03 -0.11324E-01 -0.66780E-02 5158 0.618E-01 0.981E-01 RMM: 3 -0.375103985321E+03 0.62717E-02 -0.68638E-03 5398 0.183E-01 0.195E-01 RMM: 4 -0.375103872046E+03 0.11327E-03 -0.75266E-04 4619 0.620E-02 0.173E-01 RMM: 5 -0.375103696940E+03 0.17511E-03 -0.27071E-04 4045 0.457E-02 0.112E-01 RMM: 6 -0.375103673325E+03 0.23615E-04 -0.13136E-04 3874 0.310E-02 0.988E-02 RMM: 7 -0.375103685492E+03 -0.12167E-04 -0.68365E-05 3515 0.235E-02 4093 T= 6715. E= 0.69079759E+03 F= 0.63524414E+03 E0= 0.66591021E+03 EK= 0.55553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374861570358E+03 0.24210E+00 -0.17366E-01 7356 0.239E+01 0.237E-01 RMM: 2 -0.374870444384E+03 -0.88740E-02 -0.64383E-02 5099 0.604E-01 0.795E-01 RMM: 3 -0.374866309230E+03 0.41352E-02 -0.62725E-03 5434 0.171E-01 0.203E-01 RMM: 4 -0.374866331502E+03 -0.22271E-04 -0.76626E-04 4618 0.657E-02 0.231E-01 RMM: 5 -0.374866031372E+03 0.30013E-03 -0.30456E-04 4129 0.462E-02 0.129E-01 RMM: 6 -0.374865968275E+03 0.63098E-04 -0.15481E-04 3878 0.335E-02 0.909E-02 RMM: 7 -0.374865996442E+03 -0.28168E-04 -0.82479E-05 3650 0.253E-02 0.117E-01 RMM: 8 -0.374865909490E+03 0.86953E-04 -0.38190E-05 3088 0.193E-02 0.316E-02 RMM: 9 -0.374865908225E+03 0.12648E-05 -0.12494E-05 2475 0.977E-03 4094 T= 6509. E= 0.68916674E+03 F= 0.63531775E+03 E0= 0.66600920E+03 EK= 0.53849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374526889235E+03 0.33902E+00 -0.17010E-01 7440 0.235E+01 0.225E-01 RMM: 2 -0.374537101251E+03 -0.10212E-01 -0.74375E-02 4932 0.648E-01 0.823E-01 RMM: 3 -0.374532559227E+03 0.45420E-02 -0.79346E-03 5482 0.189E-01 0.162E-01 RMM: 4 -0.374532664495E+03 -0.10527E-03 -0.79685E-04 4620 0.654E-02 0.228E-01 RMM: 5 -0.374532370989E+03 0.29351E-03 -0.21942E-04 3908 0.396E-02 0.113E-01 RMM: 6 -0.374532300964E+03 0.70026E-04 -0.86085E-05 3558 0.262E-02 0.499E-02 RMM: 7 -0.374532338807E+03 -0.37843E-04 -0.38856E-05 2986 0.179E-02 0.954E-02 RMM: 8 -0.374532281013E+03 0.57794E-04 -0.27897E-05 2628 0.172E-02 0.212E-02 RMM: 9 -0.374532279950E+03 0.10631E-05 -0.70388E-06 2438 0.754E-03 4095 T= 6275. E= 0.68739033E+03 F= 0.63548023E+03 E0= 0.66619698E+03 EK= 0.51910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374154391551E+03 0.37789E+00 -0.16204E-01 7380 0.230E+01 0.274E-01 RMM: 2 -0.374165537684E+03 -0.11146E-01 -0.66431E-02 5148 0.616E-01 0.101E+00 RMM: 3 -0.374158938773E+03 0.65989E-02 -0.69552E-03 5423 0.184E-01 0.230E-01 RMM: 4 -0.374159036789E+03 -0.98016E-04 -0.11007E-03 4629 0.780E-02 0.272E-01 RMM: 5 -0.374158659463E+03 0.37733E-03 -0.30710E-04 4016 0.443E-02 0.159E-01 RMM: 6 -0.374158509863E+03 0.14960E-03 -0.12381E-04 3830 0.309E-02 0.593E-02 RMM: 7 -0.374158578136E+03 -0.68273E-04 -0.79402E-05 3576 0.235E-02 0.123E-01 RMM: 8 -0.374158480027E+03 0.98109E-04 -0.44251E-05 3154 0.206E-02 0.309E-02 RMM: 9 -0.374158476691E+03 0.33356E-05 -0.11450E-05 2471 0.960E-03 4096 T= 6098. E= 0.68611943E+03 F= 0.63567588E+03 E0= 0.66641821E+03 EK= 0.50444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373807503822E+03 0.35098E+00 -0.15999E-01 7464 0.227E+01 0.284E-01 RMM: 2 -0.373821015439E+03 -0.13512E-01 -0.72010E-02 5122 0.643E-01 0.114E+00 RMM: 3 -0.373812451695E+03 0.85637E-02 -0.80901E-03 5417 0.198E-01 0.216E-01 RMM: 4 -0.373812524210E+03 -0.72515E-04 -0.11926E-03 4642 0.799E-02 0.257E-01 RMM: 5 -0.373812195868E+03 0.32834E-03 -0.28927E-04 3923 0.423E-02 0.157E-01 RMM: 6 -0.373812047853E+03 0.14802E-03 -0.12254E-04 3836 0.311E-02 0.570E-02 RMM: 7 -0.373812100617E+03 -0.52764E-04 -0.64785E-05 3413 0.214E-02 0.111E-01 RMM: 8 -0.373812020795E+03 0.79822E-04 -0.39427E-05 3072 0.196E-02 0.336E-02 RMM: 9 -0.373812015901E+03 0.48935E-05 -0.10801E-05 2461 0.950E-03 4097 T= 6038. E= 0.68578976E+03 F= 0.63583818E+03 E0= 0.66660582E+03 EK= 0.49952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373554852941E+03 0.25717E+00 -0.16119E-01 7680 0.227E+01 0.269E-01 RMM: 2 -0.373566734650E+03 -0.11882E-01 -0.64014E-02 5209 0.602E-01 0.108E+00 RMM: 3 -0.373559212920E+03 0.75217E-02 -0.66935E-03 5402 0.181E-01 0.228E-01 RMM: 4 -0.373559236148E+03 -0.23229E-04 -0.10779E-03 4622 0.768E-02 0.245E-01 RMM: 5 -0.373558973343E+03 0.26280E-03 -0.28813E-04 3931 0.428E-02 0.169E-01 RMM: 6 -0.373558796630E+03 0.17671E-03 -0.12215E-04 3830 0.311E-02 0.531E-02 RMM: 7 -0.373558854511E+03 -0.57881E-04 -0.72195E-05 3501 0.225E-02 0.112E-01 RMM: 8 -0.373558773259E+03 0.81252E-04 -0.38087E-05 3059 0.197E-02 0.321E-02 RMM: 9 -0.373558768832E+03 0.44271E-05 -0.10337E-05 2468 0.925E-03 4098 T= 6121. E= 0.68653770E+03 F= 0.63590308E+03 E0= 0.66669479E+03 EK= 0.50635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373445945786E+03 0.11283E+00 -0.15898E-01 7572 0.228E+01 0.279E-01 RMM: 2 -0.373459346016E+03 -0.13400E-01 -0.62327E-02 5246 0.604E-01 0.119E+00 RMM: 3 -0.373450016696E+03 0.93293E-02 -0.69160E-03 5366 0.190E-01 0.234E-01 RMM: 4 -0.373449886370E+03 0.13033E-03 -0.10759E-03 4620 0.753E-02 0.206E-01 RMM: 5 -0.373449762710E+03 0.12366E-03 -0.27501E-04 3900 0.420E-02 0.178E-01 RMM: 6 -0.373449568780E+03 0.19393E-03 -0.13542E-04 3871 0.329E-02 0.595E-02 RMM: 7 -0.373449624073E+03 -0.55293E-04 -0.77033E-05 3533 0.232E-02 0.113E-01 RMM: 8 -0.373449542694E+03 0.81379E-04 -0.39552E-05 3118 0.200E-02 0.362E-02 RMM: 9 -0.373449536143E+03 0.65513E-05 -0.99787E-06 2464 0.919E-03 4099 T= 6329. E= 0.68817856E+03 F= 0.63582171E+03 E0= 0.66663533E+03 EK= 0.52357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373504991053E+03 -0.55448E-01 -0.15955E-01 7656 0.232E+01 0.251E-01 RMM: 2 -0.373516024488E+03 -0.11033E-01 -0.62625E-02 5240 0.602E-01 0.102E+00 RMM: 3 -0.373509365109E+03 0.66594E-02 -0.63820E-03 5399 0.176E-01 0.217E-01 RMM: 4 -0.373509267669E+03 0.97440E-04 -0.89433E-04 4603 0.692E-02 0.199E-01 RMM: 5 -0.373509126043E+03 0.14163E-03 -0.29739E-04 3991 0.453E-02 0.162E-01 RMM: 6 -0.373508971873E+03 0.15417E-03 -0.13426E-04 3860 0.320E-02 0.626E-02 RMM: 7 -0.373509040356E+03 -0.68483E-04 -0.80437E-05 3601 0.239E-02 0.123E-01 RMM: 8 -0.373508941986E+03 0.98370E-04 -0.41829E-05 3157 0.206E-02 0.327E-02 RMM: 9 -0.373508937501E+03 0.44854E-05 -0.98833E-06 2471 0.899E-03 4100 T= 6603. E= 0.69019481E+03 F= 0.63557075E+03 E0= 0.66640235E+03 EK= 0.54624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373722102354E+03 -0.21316E+00 -0.16225E-01 7644 0.235E+01 0.248E-01 RMM: 2 -0.373734068715E+03 -0.11966E-01 -0.61911E-02 5278 0.601E-01 0.109E+00 RMM: 3 -0.373726389418E+03 0.76793E-02 -0.61501E-03 5368 0.174E-01 0.204E-01 RMM: 4 -0.373726262549E+03 0.12687E-03 -0.83758E-04 4609 0.669E-02 0.178E-01 RMM: 5 -0.373726154133E+03 0.10842E-03 -0.28987E-04 3975 0.460E-02 0.154E-01 RMM: 6 -0.373726026605E+03 0.12753E-03 -0.13785E-04 3876 0.324E-02 0.749E-02 RMM: 7 -0.373726080123E+03 -0.53518E-04 -0.88844E-05 3643 0.255E-02 0.121E-01 RMM: 8 -0.373725985082E+03 0.95041E-04 -0.46011E-05 3225 0.211E-02 0.313E-02 RMM: 9 -0.373725982076E+03 0.30053E-05 -0.99565E-06 2469 0.895E-03 4101 T= 6847. E= 0.69180196E+03 F= 0.63516129E+03 E0= 0.66600542E+03 EK= 0.56641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374051493431E+03 -0.32551E+00 -0.17081E-01 7920 0.238E+01 0.232E-01 RMM: 2 -0.374061653647E+03 -0.10160E-01 -0.64063E-02 5240 0.608E-01 0.937E-01 RMM: 3 -0.374056144706E+03 0.55089E-02 -0.61077E-03 5402 0.168E-01 0.195E-01 RMM: 4 -0.374056075522E+03 0.69184E-04 -0.76814E-04 4606 0.644E-02 0.192E-01 RMM: 5 -0.374055896785E+03 0.17874E-03 -0.32171E-04 4211 0.489E-02 0.136E-01 RMM: 6 -0.374055816656E+03 0.80129E-04 -0.13563E-04 3874 0.309E-02 0.849E-02 RMM: 7 -0.374055855598E+03 -0.38943E-04 -0.80245E-05 3643 0.247E-02 0.119E-01 RMM: 8 -0.374055763700E+03 0.91899E-04 -0.41648E-05 3168 0.201E-02 0.284E-02 RMM: 9 -0.374055762808E+03 0.89148E-06 -0.10243E-05 2475 0.899E-03 4102 T= 6959. E= 0.69220648E+03 F= 0.63463694E+03 E0= 0.66548639E+03 EK= 0.57570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374424857174E+03 -0.36909E+00 -0.16975E-01 7836 0.238E+01 0.234E-01 RMM: 2 -0.374434802591E+03 -0.99454E-02 -0.62735E-02 5267 0.599E-01 0.929E-01 RMM: 3 -0.374429298690E+03 0.55039E-02 -0.57546E-03 5404 0.164E-01 0.190E-01 RMM: 4 -0.374429239432E+03 0.59258E-04 -0.77575E-04 4608 0.651E-02 0.197E-01 RMM: 5 -0.374429051843E+03 0.18759E-03 -0.31966E-04 4201 0.488E-02 0.134E-01 RMM: 6 -0.374428980076E+03 0.71767E-04 -0.13073E-04 3879 0.307E-02 0.896E-02 RMM: 7 -0.374428990239E+03 -0.10164E-04 -0.74819E-05 3571 0.246E-02 4103 T= 6885. E= 0.69102190E+03 F= 0.63406463E+03 E0= 0.66491151E+03 EK= 0.56957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374767658338E+03 -0.33868E+00 -0.16419E-01 7596 0.235E+01 0.254E-01 RMM: 2 -0.374775312049E+03 -0.76537E-02 -0.58647E-02 5293 0.576E-01 0.752E-01 RMM: 3 -0.374771646683E+03 0.36654E-02 -0.53993E-03 5406 0.158E-01 0.214E-01 RMM: 4 -0.374771772383E+03 -0.12570E-03 -0.86734E-04 4606 0.691E-02 0.273E-01 RMM: 5 -0.374771300877E+03 0.47151E-03 -0.43394E-04 4495 0.558E-02 0.113E-01 RMM: 6 -0.374771308741E+03 -0.78636E-05 -0.15311E-04 3886 0.319E-02 4104 T= 6650. E= 0.68853003E+03 F= 0.63351596E+03 E0= 0.66435274E+03 EK= 0.55014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375020363628E+03 -0.24906E+00 -0.15712E-01 7668 0.230E+01 0.377E-01 RMM: 2 -0.375046526397E+03 -0.26163E-01 -0.67976E-02 5157 0.644E-01 0.187E+00 RMM: 3 -0.375024418277E+03 0.22108E-01 -0.12837E-02 5328 0.280E-01 0.375E-01 RMM: 4 -0.375023557348E+03 0.86093E-03 -0.16033E-03 4709 0.862E-02 0.156E-01 RMM: 5 -0.375023706147E+03 -0.14880E-03 -0.52052E-04 4586 0.599E-02 0.240E-01 RMM: 6 -0.375023363851E+03 0.34230E-03 -0.25599E-04 3897 0.426E-02 0.882E-02 RMM: 7 -0.375023410408E+03 -0.46558E-04 -0.12288E-04 3825 0.298E-02 0.125E-01 RMM: 8 -0.375023318138E+03 0.92271E-04 -0.58204E-05 3432 0.235E-02 0.539E-02 RMM: 9 -0.375023302387E+03 0.15751E-04 -0.13858E-05 2515 0.113E-02 4105 T= 6344. E= 0.68552928E+03 F= 0.63304819E+03 E0= 0.66386587E+03 EK= 0.52481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375145989278E+03 -0.12267E+00 -0.14716E-01 7524 0.226E+01 0.365E-01 RMM: 2 -0.375169678520E+03 -0.23689E-01 -0.56555E-02 5198 0.561E-01 0.176E+00 RMM: 3 -0.375149459158E+03 0.20219E-01 -0.11145E-02 5328 0.257E-01 0.390E-01 RMM: 4 -0.375148641946E+03 0.81721E-03 -0.18895E-03 4783 0.966E-02 0.210E-01 RMM: 5 -0.375148705075E+03 -0.63129E-04 -0.44514E-04 4533 0.549E-02 0.248E-01 RMM: 6 -0.375148310240E+03 0.39484E-03 -0.17243E-04 3887 0.356E-02 0.558E-02 RMM: 7 -0.375148353167E+03 -0.42927E-04 -0.83778E-05 3596 0.243E-02 0.102E-01 RMM: 8 -0.375148292565E+03 0.60603E-04 -0.32834E-05 2981 0.182E-02 0.427E-02 RMM: 9 -0.375148281894E+03 0.10671E-04 -0.97316E-06 2469 0.913E-03 4106 T= 6071. E= 0.68292039E+03 F= 0.63269711E+03 E0= 0.66349093E+03 EK= 0.50223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375120443859E+03 0.27849E-01 -0.14331E-01 7908 0.223E+01 0.324E-01 RMM: 2 -0.375137048526E+03 -0.16605E-01 -0.59305E-02 5122 0.584E-01 0.143E+00 RMM: 3 -0.375123878878E+03 0.13170E-01 -0.87776E-03 5345 0.222E-01 0.270E-01 RMM: 4 -0.375123727800E+03 0.15108E-03 -0.13639E-03 4633 0.826E-02 0.241E-01 RMM: 5 -0.375123517188E+03 0.21061E-03 -0.41941E-04 4468 0.533E-02 0.194E-01 RMM: 6 -0.375123297846E+03 0.21934E-03 -0.15967E-04 3886 0.333E-02 0.709E-02 RMM: 7 -0.375123344357E+03 -0.46511E-04 -0.92292E-05 3758 0.270E-02 0.117E-01 RMM: 8 -0.375123257205E+03 0.87152E-04 -0.41332E-05 3184 0.198E-02 0.308E-02 RMM: 9 -0.375123256279E+03 0.92682E-06 -0.11350E-05 2478 0.954E-03 4107 T= 5910. E= 0.68137907E+03 F= 0.63248661E+03 E0= 0.66325224E+03 EK= 0.48892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374928054914E+03 0.19520E+00 -0.13852E-01 7740 0.222E+01 0.255E-01 RMM: 2 -0.374935233956E+03 -0.71790E-02 -0.50161E-02 5229 0.513E-01 0.791E-01 RMM: 3 -0.374931071201E+03 0.41628E-02 -0.48556E-03 5407 0.151E-01 0.193E-01 RMM: 4 -0.374931389790E+03 -0.31859E-03 -0.95857E-04 4613 0.744E-02 0.307E-01 RMM: 5 -0.374930841412E+03 0.54838E-03 -0.39289E-04 4204 0.520E-02 0.136E-01 RMM: 6 -0.374930750175E+03 0.91237E-04 -0.12378E-04 3861 0.297E-02 0.741E-02 RMM: 7 -0.374930780513E+03 -0.30338E-04 -0.64988E-05 3487 0.226E-02 0.107E-01 RMM: 8 -0.374930705185E+03 0.75328E-04 -0.33909E-05 3035 0.185E-02 0.227E-02 RMM: 9 -0.374930707372E+03 -0.21868E-05 -0.10628E-05 2467 0.905E-03 4108 T= 5900. E= 0.68124675E+03 F= 0.63243676E+03 E0= 0.66317211E+03 EK= 0.48810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374546309005E+03 0.38440E+00 -0.14370E-01 7956 0.225E+01 0.248E-01 RMM: 2 -0.374553707312E+03 -0.73983E-02 -0.48104E-02 5274 0.503E-01 0.828E-01 RMM: 3 -0.374549232300E+03 0.44750E-02 -0.47096E-03 5406 0.149E-01 0.202E-01 RMM: 4 -0.374549366006E+03 -0.13371E-03 -0.93891E-04 4608 0.733E-02 0.264E-01 RMM: 5 -0.374548969843E+03 0.39616E-03 -0.40834E-04 4373 0.539E-02 0.135E-01 RMM: 6 -0.374548892762E+03 0.77081E-04 -0.13951E-04 3881 0.309E-02 0.889E-02 RMM: 7 -0.374548908040E+03 -0.15278E-04 -0.76320E-05 3614 0.251E-02 4109 T= 6041. E= 0.68254445E+03 F= 0.63257276E+03 E0= 0.66327757E+03 EK= 0.49972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373950738325E+03 0.59815E+00 -0.14992E-01 7692 0.229E+01 0.271E-01 RMM: 2 -0.373958071961E+03 -0.73336E-02 -0.53192E-02 5263 0.537E-01 0.807E-01 RMM: 3 -0.373953984079E+03 0.40879E-02 -0.52269E-03 5456 0.153E-01 0.224E-01 RMM: 4 -0.373954126358E+03 -0.14228E-03 -0.97866E-04 4604 0.755E-02 0.289E-01 RMM: 5 -0.373953597529E+03 0.52883E-03 -0.55914E-04 4594 0.633E-02 0.124E-01 RMM: 6 -0.373953599661E+03 -0.21315E-05 -0.20917E-04 3885 0.368E-02 0.131E-01 RMM: 7 -0.373953512949E+03 0.86712E-04 -0.97236E-05 3835 0.308E-02 0.758E-02 RMM: 8 -0.373953479187E+03 0.33762E-04 -0.20280E-05 2611 0.139E-02 0.325E-02 RMM: 9 -0.373953484156E+03 -0.49687E-05 -0.16277E-05 2503 0.114E-02 4110 T= 6293. E= 0.68497859E+03 F= 0.63292225E+03 E0= 0.66359780E+03 EK= 0.52056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373125246388E+03 0.82823E+00 -0.15496E-01 7836 0.235E+01 0.228E-01 RMM: 2 -0.373133710482E+03 -0.84641E-02 -0.56872E-02 5203 0.561E-01 0.838E-01 RMM: 3 -0.373129115978E+03 0.45945E-02 -0.57615E-03 5483 0.162E-01 0.191E-01 RMM: 4 -0.373129033635E+03 0.82344E-04 -0.73306E-04 4582 0.621E-02 0.188E-01 RMM: 5 -0.373128903777E+03 0.12986E-03 -0.33433E-04 4241 0.505E-02 0.148E-01 RMM: 6 -0.373128783992E+03 0.11978E-03 -0.15211E-04 3886 0.333E-02 0.700E-02 RMM: 7 -0.373128821538E+03 -0.37547E-04 -0.60927E-05 3432 0.227E-02 0.106E-01 RMM: 8 -0.373128747883E+03 0.73655E-04 -0.27574E-05 2862 0.168E-02 0.238E-02 RMM: 9 -0.373128746645E+03 0.12378E-05 -0.76055E-06 2447 0.760E-03 4111 T= 6580. E= 0.68793970E+03 F= 0.63350304E+03 E0= 0.66415191E+03 EK= 0.54437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372078247587E+03 0.10505E+01 -0.16435E-01 7788 0.240E+01 0.255E-01 RMM: 2 -0.372086290323E+03 -0.80427E-02 -0.53947E-02 5298 0.546E-01 0.846E-01 RMM: 3 -0.372081652623E+03 0.46377E-02 -0.48746E-03 5482 0.147E-01 0.198E-01 RMM: 4 -0.372081779379E+03 -0.12676E-03 -0.96104E-04 4604 0.765E-02 0.267E-01 RMM: 5 -0.372081375040E+03 0.40434E-03 -0.50963E-04 4579 0.607E-02 0.142E-01 RMM: 6 -0.372081314111E+03 0.60929E-04 -0.19783E-04 3891 0.364E-02 0.109E-01 RMM: 7 -0.372081302040E+03 0.12071E-04 -0.93436E-05 3825 0.291E-02 4112 T= 6805. E= 0.69060262E+03 F= 0.63430883E+03 E0= 0.66493511E+03 EK= 0.56294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370851752179E+03 0.12296E+01 -0.16887E-01 7368 0.243E+01 0.288E-01 RMM: 2 -0.370861135903E+03 -0.93837E-02 -0.59909E-02 5188 0.590E-01 0.940E-01 RMM: 3 -0.370855596930E+03 0.55390E-02 -0.66330E-03 5407 0.178E-01 0.251E-01 RMM: 4 -0.370855557812E+03 0.39119E-04 -0.10612E-03 4609 0.766E-02 0.260E-01 RMM: 5 -0.370855140559E+03 0.41725E-03 -0.57227E-04 4595 0.650E-02 0.127E-01 RMM: 6 -0.370855149703E+03 -0.91439E-05 -0.19692E-04 3888 0.361E-02 4113 T= 6881. E= 0.69221959E+03 F= 0.63529425E+03 E0= 0.66590263E+03 EK= 0.56925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369529053926E+03 0.13261E+01 -0.16934E-01 7584 0.243E+01 0.386E-01 RMM: 2 -0.369557156697E+03 -0.28103E-01 -0.69919E-02 5073 0.651E-01 0.193E+00 RMM: 3 -0.369533193206E+03 0.23963E-01 -0.14041E-02 5335 0.293E-01 0.339E-01 RMM: 4 -0.369532590086E+03 0.60312E-03 -0.16652E-03 4703 0.844E-02 0.186E-01 RMM: 5 -0.369532571378E+03 0.18708E-04 -0.57870E-04 4607 0.647E-02 0.209E-01 RMM: 6 -0.369532335522E+03 0.23586E-03 -0.25022E-04 3890 0.421E-02 0.942E-02 RMM: 7 -0.369532397313E+03 -0.61791E-04 -0.12268E-04 3857 0.308E-02 0.139E-01 RMM: 8 -0.369532278085E+03 0.11923E-03 -0.64121E-05 3498 0.241E-02 0.466E-02 RMM: 9 -0.369532268675E+03 0.94096E-05 -0.14895E-05 2515 0.115E-02 4114 T= 6784. E= 0.69249649E+03 F= 0.63637496E+03 E0= 0.66696474E+03 EK= 0.56122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368211758178E+03 0.13205E+01 -0.16716E-01 7224 0.240E+01 0.409E-01 RMM: 2 -0.368243691788E+03 -0.31934E-01 -0.65918E-02 5026 0.619E-01 0.207E+00 RMM: 3 -0.368215512985E+03 0.28179E-01 -0.14518E-02 5336 0.301E-01 0.417E-01 RMM: 4 -0.368214620559E+03 0.89243E-03 -0.23628E-03 5102 0.108E-01 0.228E-01 RMM: 5 -0.368214644101E+03 -0.23542E-04 -0.46840E-04 4516 0.551E-02 0.248E-01 RMM: 6 -0.368214250185E+03 0.39392E-03 -0.17126E-04 3877 0.350E-02 0.561E-02 RMM: 7 -0.368214262679E+03 -0.12494E-04 -0.58330E-05 3353 0.204E-02 4115 T= 6563. E= 0.69174200E+03 F= 0.63744684E+03 E0= 0.66802043E+03 EK= 0.54295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366984750875E+03 0.12295E+01 -0.16296E-01 7344 0.236E+01 0.363E-01 RMM: 2 -0.367007888238E+03 -0.23137E-01 -0.61030E-02 5150 0.586E-01 0.172E+00 RMM: 3 -0.366988031508E+03 0.19857E-01 -0.99527E-03 5332 0.240E-01 0.279E-01 RMM: 4 -0.366988119395E+03 -0.87887E-04 -0.18221E-03 4812 0.965E-02 0.317E-01 RMM: 5 -0.366987765936E+03 0.35346E-03 -0.55431E-04 4578 0.610E-02 0.238E-01 RMM: 6 -0.366987408378E+03 0.35756E-03 -0.22156E-04 3884 0.391E-02 0.709E-02 RMM: 7 -0.366987480449E+03 -0.72071E-04 -0.11862E-04 3841 0.297E-02 0.133E-01 RMM: 8 -0.366987368994E+03 0.11146E-03 -0.54879E-05 3357 0.224E-02 0.384E-02 RMM: 9 -0.366987365105E+03 0.38889E-05 -0.13521E-05 2502 0.107E-02 4116 T= 6313. E= 0.69064894E+03 F= 0.63842211E+03 E0= 0.66897617E+03 EK= 0.52227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365892091821E+03 0.10953E+01 -0.15734E-01 7356 0.232E+01 0.294E-01 RMM: 2 -0.365902702349E+03 -0.10611E-01 -0.60364E-02 4975 0.564E-01 0.100E+00 RMM: 3 -0.365895916932E+03 0.67854E-02 -0.72260E-03 5363 0.189E-01 0.236E-01 RMM: 4 -0.365896263037E+03 -0.34610E-03 -0.14191E-03 4717 0.870E-02 0.333E-01 RMM: 5 -0.365895654988E+03 0.60805E-03 -0.45491E-04 4470 0.556E-02 0.174E-01 RMM: 6 -0.365895471701E+03 0.18329E-03 -0.14107E-04 3856 0.317E-02 0.558E-02 RMM: 7 -0.365895521653E+03 -0.49952E-04 -0.65427E-05 3449 0.219E-02 0.108E-01 RMM: 8 -0.365895442731E+03 0.78922E-04 -0.35039E-05 3039 0.189E-02 0.257E-02 RMM: 9 -0.365895441697E+03 0.10340E-05 -0.96696E-06 2467 0.865E-03 4117 T= 6125. E= 0.68992569E+03 F= 0.63925683E+03 E0= 0.66978760E+03 EK= 0.50669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364924018809E+03 0.97142E+00 -0.15789E-01 7668 0.229E+01 0.287E-01 RMM: 2 -0.364935549338E+03 -0.11531E-01 -0.67645E-02 4894 0.600E-01 0.102E+00 RMM: 3 -0.364928470046E+03 0.70793E-02 -0.77367E-03 5401 0.189E-01 0.195E-01 RMM: 4 -0.364929002560E+03 -0.53251E-03 -0.14382E-03 4756 0.904E-02 0.360E-01 RMM: 5 -0.364928253265E+03 0.74930E-03 -0.50479E-04 4533 0.584E-02 0.147E-01 RMM: 6 -0.364928137250E+03 0.11601E-03 -0.13572E-04 3875 0.300E-02 0.725E-02 RMM: 7 -0.364928155986E+03 -0.18736E-04 -0.66279E-05 3487 0.234E-02 4118 T= 6055. E= 0.69005226E+03 F= 0.63996281E+03 E0= 0.67046378E+03 EK= 0.50089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364022564377E+03 0.90557E+00 -0.15733E-01 7692 0.229E+01 0.296E-01 RMM: 2 -0.364031472692E+03 -0.89083E-02 -0.66915E-02 4988 0.594E-01 0.818E-01 RMM: 3 -0.364026992734E+03 0.44800E-02 -0.76986E-03 5414 0.184E-01 0.231E-01 RMM: 4 -0.364027385294E+03 -0.39256E-03 -0.12026E-03 4661 0.812E-02 0.356E-01 RMM: 5 -0.364026627518E+03 0.75778E-03 -0.56760E-04 4581 0.630E-02 0.147E-01 RMM: 6 -0.364026537216E+03 0.90301E-04 -0.19168E-04 3886 0.353E-02 0.961E-02 RMM: 7 -0.364026545093E+03 -0.78763E-05 -0.86827E-05 3750 0.273E-02 4119 T= 6117. E= 0.69120373E+03 F= 0.64060150E+03 E0= 0.67106592E+03 EK= 0.50602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363095268813E+03 0.93127E+00 -0.15938E-01 7944 0.231E+01 0.281E-01 RMM: 2 -0.363105580765E+03 -0.10312E-01 -0.63424E-02 5026 0.592E-01 0.962E-01 RMM: 3 -0.363099461919E+03 0.61188E-02 -0.72508E-03 5411 0.185E-01 0.233E-01 RMM: 4 -0.363099482144E+03 -0.20225E-04 -0.11547E-03 4630 0.791E-02 0.261E-01 RMM: 5 -0.363099112729E+03 0.36941E-03 -0.50049E-04 4588 0.601E-02 0.151E-01 RMM: 6 -0.363099017959E+03 0.94770E-04 -0.17351E-04 3887 0.341E-02 0.973E-02 RMM: 7 -0.363099044703E+03 -0.26744E-04 -0.96616E-05 3802 0.281E-02 0.122E-01 RMM: 8 -0.363098948962E+03 0.95741E-04 -0.43097E-05 3193 0.198E-02 0.335E-02 RMM: 9 -0.363098948824E+03 0.13803E-06 -0.14614E-05 2497 0.108E-02 4120 T= 6284. E= 0.69325233E+03 F= 0.64126720E+03 E0= 0.67168915E+03 EK= 0.51985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362043341495E+03 0.10556E+01 -0.15951E-01 7704 0.233E+01 0.265E-01 RMM: 2 -0.362054738612E+03 -0.11397E-01 -0.64377E-02 5108 0.593E-01 0.102E+00 RMM: 3 -0.362047740263E+03 0.69983E-02 -0.71623E-03 5412 0.184E-01 0.238E-01 RMM: 4 -0.362047571067E+03 0.16920E-03 -0.10364E-03 4611 0.727E-02 0.202E-01 RMM: 5 -0.362047412473E+03 0.15859E-03 -0.42286E-04 4529 0.561E-02 0.161E-01 RMM: 6 -0.362047272628E+03 0.13984E-03 -0.17208E-04 3886 0.342E-02 0.739E-02 RMM: 7 -0.362047328641E+03 -0.56013E-04 -0.71758E-05 3530 0.241E-02 0.123E-01 RMM: 8 -0.362047231792E+03 0.96849E-04 -0.34207E-05 3044 0.183E-02 0.255E-02 RMM: 9 -0.362047231298E+03 0.49393E-06 -0.97447E-06 2466 0.863E-03 4121 T= 6495. E= 0.69579222E+03 F= 0.64205987E+03 E0= 0.67243340E+03 EK= 0.53732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360790737856E+03 0.12565E+01 -0.16048E-01 7776 0.235E+01 0.284E-01 RMM: 2 -0.360801099917E+03 -0.10362E-01 -0.63157E-02 5199 0.591E-01 0.974E-01 RMM: 3 -0.360794776352E+03 0.63236E-02 -0.68937E-03 5470 0.180E-01 0.226E-01 RMM: 4 -0.360794760041E+03 0.16312E-04 -0.10503E-03 4606 0.749E-02 0.252E-01 RMM: 5 -0.360794418637E+03 0.34140E-03 -0.51015E-04 4550 0.612E-02 0.152E-01 RMM: 6 -0.360794339228E+03 0.79409E-04 -0.19012E-04 3888 0.354E-02 0.110E-01 RMM: 7 -0.360794361394E+03 -0.22165E-04 -0.10577E-04 3852 0.291E-02 0.131E-01 RMM: 8 -0.360794250918E+03 0.11048E-03 -0.52472E-05 3335 0.213E-02 0.319E-02 RMM: 9 -0.360794253039E+03 -0.21213E-05 -0.15300E-05 2514 0.111E-02 4122 T= 6670. E= 0.69823463E+03 F= 0.64305714E+03 E0= 0.67337827E+03 EK= 0.55177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359306719994E+03 0.14875E+01 -0.16260E-01 7776 0.236E+01 0.273E-01 RMM: 2 -0.359317422734E+03 -0.10703E-01 -0.69768E-02 5133 0.612E-01 0.947E-01 RMM: 3 -0.359311417976E+03 0.60048E-02 -0.73129E-03 5527 0.180E-01 0.215E-01 RMM: 4 -0.359311433049E+03 -0.15072E-04 -0.10413E-03 4616 0.747E-02 0.252E-01 RMM: 5 -0.359311055140E+03 0.37791E-03 -0.44755E-04 4501 0.569E-02 0.128E-01 RMM: 6 -0.359311010951E+03 0.44190E-04 -0.18359E-04 3888 0.350E-02 0.104E-01 RMM: 7 -0.359310999324E+03 0.11627E-04 -0.72074E-05 3548 0.251E-02 4123 T= 6738. E= 0.70002446E+03 F= 0.64428719E+03 E0= 0.67455439E+03 EK= 0.55737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357625499211E+03 0.16855E+01 -0.15750E-01 7740 0.234E+01 0.295E-01 RMM: 2 -0.357633310383E+03 -0.78112E-02 -0.61012E-02 5278 0.569E-01 0.788E-01 RMM: 3 -0.357629200637E+03 0.41097E-02 -0.59934E-03 5408 0.167E-01 0.222E-01 RMM: 4 -0.357629641224E+03 -0.44059E-03 -0.11259E-03 4620 0.804E-02 0.357E-01 RMM: 5 -0.357628782309E+03 0.85891E-03 -0.50320E-04 4516 0.581E-02 0.103E-01 RMM: 6 -0.357628835633E+03 -0.53323E-04 -0.17316E-04 3887 0.335E-02 0.143E-01 RMM: 7 -0.357628761919E+03 0.73714E-04 -0.90400E-05 3747 0.273E-02 0.106E-01 RMM: 8 -0.357628691322E+03 0.70597E-04 -0.42290E-05 3183 0.191E-02 0.300E-02 RMM: 9 -0.357628698806E+03 -0.74840E-05 -0.16857E-05 2523 0.116E-02 4124 T= 6672. E= 0.70091333E+03 F= 0.64571712E+03 E0= 0.67593075E+03 EK= 0.55196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355828210762E+03 0.18005E+01 -0.15122E-01 7896 0.231E+01 0.251E-01 RMM: 2 -0.355836468588E+03 -0.82578E-02 -0.62620E-02 5222 0.570E-01 0.790E-01 RMM: 3 -0.355832292183E+03 0.41764E-02 -0.56829E-03 5455 0.160E-01 0.173E-01 RMM: 4 -0.355832721280E+03 -0.42910E-03 -0.91808E-04 4612 0.716E-02 0.324E-01 RMM: 5 -0.355832068310E+03 0.65297E-03 -0.35404E-04 4125 0.492E-02 0.104E-01 RMM: 6 -0.355832023894E+03 0.44416E-04 -0.11717E-04 3792 0.290E-02 0.714E-02 RMM: 7 -0.355832039210E+03 -0.15316E-04 -0.42971E-05 3152 0.190E-02 4125 T= 6507. E= 0.70108762E+03 F= 0.64726053E+03 E0= 0.67742410E+03 EK= 0.53827E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354032093620E+03 0.17999E+01 -0.14500E-01 7944 0.227E+01 0.307E-01 RMM: 2 -0.354038671243E+03 -0.65776E-02 -0.57788E-02 5377 0.553E-01 0.709E-01 RMM: 3 -0.354035501665E+03 0.31696E-02 -0.50298E-03 5449 0.152E-01 0.253E-01 RMM: 4 -0.354036056752E+03 -0.55509E-03 -0.13529E-03 4632 0.903E-02 0.400E-01 RMM: 5 -0.354034990630E+03 0.10661E-02 -0.61332E-04 4540 0.635E-02 0.993E-02 RMM: 6 -0.354035010452E+03 -0.19822E-04 -0.16937E-04 3889 0.335E-02 4126 T= 6315. E= 0.70104193E+03 F= 0.64880247E+03 E0= 0.67892289E+03 EK= 0.52239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352352639073E+03 0.16824E+01 -0.14251E-01 7740 0.224E+01 0.442E-01 RMM: 2 -0.352390643248E+03 -0.38004E-01 -0.77528E-02 5273 0.666E-01 0.228E+00 RMM: 3 -0.352356939289E+03 0.33704E-01 -0.15311E-02 5311 0.311E-01 0.448E-01 RMM: 4 -0.352355819226E+03 0.11201E-02 -0.25985E-03 5067 0.114E-01 0.220E-01 RMM: 5 -0.352355900910E+03 -0.81685E-04 -0.66702E-04 4596 0.630E-02 0.267E-01 RMM: 6 -0.352355458267E+03 0.44264E-03 -0.30403E-04 3899 0.463E-02 0.943E-02 RMM: 7 -0.352355477978E+03 -0.19711E-04 -0.11674E-04 3840 0.284E-02 4127 T= 6176. E= 0.70131560E+03 F= 0.65022530E+03 E0= 0.68030818E+03 EK= 0.51090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350892617259E+03 0.14628E+01 -0.13979E-01 7944 0.223E+01 0.447E-01 RMM: 2 -0.350933574808E+03 -0.40958E-01 -0.76320E-02 5294 0.662E-01 0.235E+00 RMM: 3 -0.350896922463E+03 0.36652E-01 -0.15799E-02 5318 0.316E-01 0.458E-01 RMM: 4 -0.350895652522E+03 0.12699E-02 -0.27965E-03 5162 0.119E-01 0.212E-01 RMM: 5 -0.350895859652E+03 -0.20713E-03 -0.67261E-04 4603 0.649E-02 0.290E-01 RMM: 6 -0.350895314900E+03 0.54475E-03 -0.29779E-04 3890 0.459E-02 0.795E-02 RMM: 7 -0.350895337119E+03 -0.22219E-04 -0.98218E-05 3702 0.260E-02 0.103E-01 RMM: 8 -0.350895284224E+03 0.52895E-04 -0.44140E-05 3198 0.203E-02 0.601E-02 RMM: 9 -0.350895260974E+03 0.23250E-04 -0.16631E-05 2539 0.127E-02 0.197E-02 RMM: 10 -0.350895265601E+03 -0.46267E-05 -0.78390E-06 2452 0.772E-03 4128 T= 6146. E= 0.70227573E+03 F= 0.65142856E+03 E0= 0.68148104E+03 EK= 0.50847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349721411632E+03 0.11738E+01 -0.14394E-01 7992 0.224E+01 0.327E-01 RMM: 2 -0.349739957074E+03 -0.18545E-01 -0.80502E-02 5197 0.641E-01 0.142E+00 RMM: 3 -0.349726664410E+03 0.13293E-01 -0.10683E-02 5367 0.238E-01 0.256E-01 RMM: 4 -0.349726598258E+03 0.66152E-04 -0.14483E-03 4675 0.830E-02 0.259E-01 RMM: 5 -0.349726406864E+03 0.19139E-03 -0.48194E-04 4528 0.555E-02 0.214E-01 RMM: 6 -0.349726101930E+03 0.30493E-03 -0.27218E-04 3915 0.437E-02 0.484E-02 RMM: 7 -0.349726165767E+03 -0.63836E-04 -0.80512E-05 3578 0.247E-02 0.115E-01 RMM: 8 -0.349726083560E+03 0.82206E-04 -0.35052E-05 3039 0.188E-02 0.300E-02 RMM: 9 -0.349726079174E+03 0.43862E-05 -0.78346E-06 2460 0.777E-03 4129 T= 6246. E= 0.70401306E+03 F= 0.65234245E+03 E0= 0.68237384E+03 EK= 0.51671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348881024901E+03 0.84506E+00 -0.14787E-01 8436 0.228E+01 0.271E-01 RMM: 2 -0.348890771271E+03 -0.97464E-02 -0.69200E-02 5332 0.602E-01 0.875E-01 RMM: 3 -0.348885705668E+03 0.50656E-02 -0.66352E-03 5604 0.170E-01 0.196E-01 RMM: 4 -0.348885883990E+03 -0.17832E-03 -0.10026E-03 4617 0.751E-02 0.290E-01 RMM: 5 -0.348885401260E+03 0.48273E-03 -0.47367E-04 4528 0.582E-02 0.140E-01 RMM: 6 -0.348885340940E+03 0.60320E-04 -0.19060E-04 3880 0.352E-02 0.109E-01 RMM: 7 -0.348885344212E+03 -0.32722E-05 -0.89565E-05 3687 0.274E-02 4130 T= 6451. E= 0.70630207E+03 F= 0.65293123E+03 E0= 0.68295062E+03 EK= 0.53371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348369523050E+03 0.51582E+00 -0.15736E-01 8208 0.233E+01 0.295E-01 RMM: 2 -0.348383392174E+03 -0.13869E-01 -0.86351E-02 5216 0.675E-01 0.109E+00 RMM: 3 -0.348375662147E+03 0.77300E-02 -0.92080E-03 5504 0.205E-01 0.238E-01 RMM: 4 -0.348375553694E+03 0.10845E-03 -0.11485E-03 4638 0.771E-02 0.242E-01 RMM: 5 -0.348375289446E+03 0.26425E-03 -0.56281E-04 4591 0.639E-02 0.178E-01 RMM: 6 -0.348375164549E+03 0.12490E-03 -0.26455E-04 3894 0.418E-02 0.118E-01 RMM: 7 -0.348375180204E+03 -0.15655E-04 -0.12654E-04 3866 0.336E-02 4131 T= 6698. E= 0.70860017E+03 F= 0.65319336E+03 E0= 0.68320856E+03 EK= 0.55407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348160854451E+03 0.21431E+00 -0.16433E-01 8376 0.239E+01 0.280E-01 RMM: 2 -0.348176281490E+03 -0.15427E-01 -0.85119E-02 5268 0.671E-01 0.118E+00 RMM: 3 -0.348167033823E+03 0.92477E-02 -0.86369E-03 5454 0.203E-01 0.258E-01 RMM: 4 -0.348166726824E+03 0.30700E-03 -0.11060E-03 4626 0.745E-02 0.187E-01 RMM: 5 -0.348166636432E+03 0.90393E-04 -0.51560E-04 4581 0.613E-02 0.189E-01 RMM: 6 -0.348166453637E+03 0.18279E-03 -0.29201E-04 3911 0.451E-02 0.971E-02 RMM: 7 -0.348166518902E+03 -0.65265E-04 -0.13382E-04 3873 0.330E-02 0.142E-01 RMM: 8 -0.348166390158E+03 0.12874E-03 -0.56765E-05 3364 0.225E-02 0.428E-02 RMM: 9 -0.348166383115E+03 0.70433E-05 -0.14645E-05 2505 0.108E-02 4132 T= 6891. E= 0.71016132E+03 F= 0.65315713E+03 E0= 0.68317744E+03 EK= 0.57004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348203438431E+03 -0.37048E-01 -0.17474E-01 8208 0.242E+01 0.240E-01 RMM: 2 -0.348216939035E+03 -0.13501E-01 -0.86626E-02 5210 0.665E-01 0.101E+00 RMM: 3 -0.348209975455E+03 0.69636E-02 -0.83690E-03 5450 0.195E-01 0.180E-01 RMM: 4 -0.348209978342E+03 -0.28865E-05 -0.89917E-04 4648 0.674E-02 0.214E-01 RMM: 5 -0.348209716971E+03 0.26137E-03 -0.35698E-04 4347 0.514E-02 0.123E-01 RMM: 6 -0.348209677921E+03 0.39051E-04 -0.18158E-04 3880 0.351E-02 0.102E-01 RMM: 7 -0.348209688966E+03 -0.11045E-04 -0.78687E-05 3596 0.256E-02 4133 T= 6946. E= 0.71033394E+03 F= 0.65286941E+03 E0= 0.68290293E+03 EK= 0.57465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348447391340E+03 -0.23771E+00 -0.17400E-01 8040 0.243E+01 0.292E-01 RMM: 2 -0.348458591430E+03 -0.11200E-01 -0.84025E-02 5296 0.664E-01 0.902E-01 RMM: 3 -0.348453207672E+03 0.53838E-02 -0.79585E-03 5657 0.183E-01 0.215E-01 RMM: 4 -0.348453379979E+03 -0.17231E-03 -0.11594E-03 4629 0.823E-02 0.314E-01 RMM: 5 -0.348452804582E+03 0.57540E-03 -0.62964E-04 4587 0.672E-02 0.156E-01 RMM: 6 -0.348452774205E+03 0.30377E-04 -0.27026E-04 3896 0.418E-02 0.146E-01 RMM: 7 -0.348452711960E+03 0.62245E-04 -0.13360E-04 3872 0.355E-02 0.119E-01 RMM: 8 -0.348452624119E+03 0.87841E-04 -0.41354E-05 3151 0.192E-02 0.365E-02 RMM: 9 -0.348452629359E+03 -0.52400E-05 -0.20045E-05 2546 0.126E-02 4134 T= 6835. E= 0.70892624E+03 F= 0.65237946E+03 E0= 0.68243243E+03 EK= 0.56547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348850603974E+03 -0.39798E+00 -0.17273E-01 7968 0.240E+01 0.249E-01 RMM: 2 -0.348862219312E+03 -0.11615E-01 -0.84652E-02 5189 0.652E-01 0.867E-01 RMM: 3 -0.348856824547E+03 0.53948E-02 -0.80048E-03 5593 0.182E-01 0.185E-01 RMM: 4 -0.348856944170E+03 -0.11962E-03 -0.97243E-04 4634 0.739E-02 0.264E-01 RMM: 5 -0.348856580114E+03 0.36406E-03 -0.36785E-04 4290 0.508E-02 0.143E-01 RMM: 6 -0.348856473690E+03 0.10642E-03 -0.15990E-04 3875 0.336E-02 0.742E-02 RMM: 7 -0.348856518150E+03 -0.44460E-04 -0.65910E-05 3481 0.230E-02 0.115E-01 RMM: 8 -0.348856430941E+03 0.87209E-04 -0.33164E-05 3020 0.183E-02 0.253E-02 RMM: 9 -0.348856430021E+03 0.92037E-06 -0.88210E-06 2461 0.818E-03 4135 T= 6602. E= 0.70634170E+03 F= 0.65172287E+03 E0= 0.68180110E+03 EK= 0.54619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349395887898E+03 -0.53946E+00 -0.16446E-01 7884 0.236E+01 0.284E-01 RMM: 2 -0.349404517308E+03 -0.86294E-02 -0.77653E-02 5273 0.626E-01 0.697E-01 RMM: 3 -0.349401191095E+03 0.33262E-02 -0.68376E-03 5724 0.163E-01 0.197E-01 RMM: 4 -0.349401688747E+03 -0.49765E-03 -0.12143E-03 4647 0.877E-02 0.368E-01 RMM: 5 -0.349400823623E+03 0.86512E-03 -0.52752E-04 4519 0.595E-02 0.125E-01 RMM: 6 -0.349400797139E+03 0.26484E-04 -0.17831E-04 3882 0.342E-02 0.114E-01 RMM: 7 -0.349400782242E+03 0.14897E-04 -0.81399E-05 3657 0.266E-02 4136 T= 6338. E= 0.70335088E+03 F= 0.65091771E+03 E0= 0.68102514E+03 EK= 0.52433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350072918594E+03 -0.67212E+00 -0.15799E-01 7656 0.232E+01 0.323E-01 RMM: 2 -0.350084763260E+03 -0.11845E-01 -0.76139E-02 5136 0.639E-01 0.101E+00 RMM: 3 -0.350077986439E+03 0.67768E-02 -0.82662E-03 5419 0.196E-01 0.268E-01 RMM: 4 -0.350078296996E+03 -0.31056E-03 -0.15807E-03 4754 0.948E-02 0.362E-01 RMM: 5 -0.350077574828E+03 0.72217E-03 -0.61455E-04 4577 0.643E-02 0.176E-01 RMM: 6 -0.350077412877E+03 0.16195E-03 -0.18406E-04 3876 0.345E-02 0.905E-02 RMM: 7 -0.350077457728E+03 -0.44851E-04 -0.11709E-04 3861 0.298E-02 0.128E-01 RMM: 8 -0.350077347957E+03 0.10977E-03 -0.59473E-05 3417 0.231E-02 0.329E-02 RMM: 9 -0.350077351337E+03 -0.33799E-05 -0.15402E-05 2523 0.112E-02 4137 T= 6134. E= 0.70071525E+03 F= 0.64997169E+03 E0= 0.68011073E+03 EK= 0.50744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350873890167E+03 -0.79654E+00 -0.15019E-01 7692 0.230E+01 0.277E-01 RMM: 2 -0.350884030604E+03 -0.10140E-01 -0.63321E-02 5158 0.586E-01 0.956E-01 RMM: 3 -0.350877960585E+03 0.60700E-02 -0.65781E-03 5384 0.177E-01 0.187E-01 RMM: 4 -0.350878380139E+03 -0.41955E-03 -0.11589E-03 4623 0.802E-02 0.324E-01 RMM: 5 -0.350877758113E+03 0.62203E-03 -0.45026E-04 4542 0.561E-02 0.139E-01 RMM: 6 -0.350877655959E+03 0.10215E-03 -0.15892E-04 3876 0.329E-02 0.692E-02 RMM: 7 -0.350877691603E+03 -0.35645E-04 -0.51852E-05 3303 0.213E-02 0.106E-01 RMM: 8 -0.350877619303E+03 0.72301E-04 -0.27893E-05 2882 0.169E-02 0.228E-02 RMM: 9 -0.350877618578E+03 0.72435E-06 -0.70452E-06 2448 0.759E-03 4138 T= 6049. E= 0.69893558E+03 F= 0.64889436E+03 E0= 0.67906521E+03 EK= 0.50041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351772626160E+03 -0.89501E+00 -0.15200E-01 7728 0.230E+01 0.286E-01 RMM: 2 -0.351781913678E+03 -0.92875E-02 -0.62530E-02 5041 0.590E-01 0.881E-01 RMM: 3 -0.351776761078E+03 0.51526E-02 -0.68507E-03 5403 0.177E-01 0.231E-01 RMM: 4 -0.351777104509E+03 -0.34343E-03 -0.13641E-03 4715 0.903E-02 0.346E-01 RMM: 5 -0.351776480567E+03 0.62394E-03 -0.65586E-04 4583 0.689E-02 0.177E-01 RMM: 6 -0.351776312490E+03 0.16808E-03 -0.17471E-04 3874 0.337E-02 0.822E-02 RMM: 7 -0.351776309638E+03 0.28523E-05 -0.92484E-05 3795 0.292E-02 4139 T= 6101. E= 0.69818504E+03 F= 0.64771328E+03 E0= 0.67791374E+03 EK= 0.50472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352716779712E+03 -0.94047E+00 -0.15417E-01 7872 0.232E+01 0.280E-01 RMM: 2 -0.352723011575E+03 -0.62319E-02 -0.55151E-02 5103 0.576E-01 0.669E-01 RMM: 3 -0.352720294775E+03 0.27168E-02 -0.55690E-03 5414 0.157E-01 0.211E-01 RMM: 4 -0.352720692689E+03 -0.39791E-03 -0.11067E-03 4633 0.841E-02 0.353E-01 RMM: 5 -0.352719937749E+03 0.75494E-03 -0.77549E-04 4601 0.763E-02 0.130E-01 RMM: 6 -0.352719963999E+03 -0.26250E-04 -0.24490E-04 3892 0.406E-02 0.153E-01 RMM: 7 -0.352719857645E+03 0.10635E-03 -0.12772E-04 3848 0.359E-02 0.969E-02 RMM: 8 -0.352719799374E+03 0.58271E-04 -0.35357E-05 3054 0.179E-02 0.352E-02 RMM: 9 -0.352719807984E+03 -0.86095E-05 -0.19977E-05 2551 0.130E-02 4140 T= 6266. E= 0.69832445E+03 F= 0.64648464E+03 E0= 0.67671050E+03 EK= 0.51840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353623163261E+03 -0.90336E+00 -0.15609E-01 8136 0.236E+01 0.233E-01 RMM: 2 -0.353631671965E+03 -0.85087E-02 -0.50527E-02 5233 0.554E-01 0.889E-01 RMM: 3 -0.353626535732E+03 0.51362E-02 -0.50945E-03 5379 0.157E-01 0.170E-01 RMM: 4 -0.353626601147E+03 -0.65414E-04 -0.71336E-04 4601 0.636E-02 0.228E-01 RMM: 5 -0.353626297444E+03 0.30370E-03 -0.54331E-04 4600 0.667E-02 0.115E-01 RMM: 6 -0.353626313351E+03 -0.15908E-04 -0.20387E-04 3883 0.368E-02 0.128E-01 RMM: 7 -0.353626264750E+03 0.48601E-04 -0.82294E-05 3726 0.282E-02 0.985E-02 RMM: 8 -0.353626200560E+03 0.64190E-04 -0.28900E-05 2940 0.164E-02 0.239E-02 RMM: 9 -0.353626201461E+03 -0.90069E-06 -0.83420E-06 2453 0.840E-03 4141 T= 6484. E= 0.69893505E+03 F= 0.64529221E+03 E0= 0.67553736E+03 EK= 0.53643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354394251883E+03 -0.76805E+00 -0.16226E-01 8196 0.239E+01 0.255E-01 RMM: 2 -0.354400789182E+03 -0.65373E-02 -0.54784E-02 5288 0.570E-01 0.691E-01 RMM: 3 -0.354397840271E+03 0.29489E-02 -0.49931E-03 5592 0.143E-01 0.189E-01 RMM: 4 -0.354398037741E+03 -0.19747E-03 -0.98097E-04 4609 0.817E-02 0.302E-01 RMM: 5 -0.354397511418E+03 0.52632E-03 -0.71064E-04 4608 0.738E-02 0.139E-01 RMM: 6 -0.354397570768E+03 -0.59349E-04 -0.26516E-04 3888 0.419E-02 0.172E-01 RMM: 7 -0.354397410822E+03 0.15995E-03 -0.14166E-04 3859 0.381E-02 0.874E-02 RMM: 8 -0.354397364851E+03 0.45971E-04 -0.29590E-05 2947 0.164E-02 0.339E-02 RMM: 9 -0.354397367929E+03 -0.30780E-05 -0.19146E-05 2511 0.130E-02 4142 T= 6670. E= 0.69941487E+03 F= 0.64423455E+03 E0= 0.67449195E+03 EK= 0.55180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354940978219E+03 -0.54361E+00 -0.16834E-01 8196 0.242E+01 0.242E-01 RMM: 2 -0.354949736031E+03 -0.87578E-02 -0.60008E-02 5216 0.599E-01 0.839E-01 RMM: 3 -0.354945197791E+03 0.45382E-02 -0.59916E-03 5532 0.161E-01 0.199E-01 RMM: 4 -0.354945136317E+03 0.61474E-04 -0.77950E-04 4604 0.687E-02 0.226E-01 RMM: 5 -0.354944842561E+03 0.29376E-03 -0.64936E-04 4608 0.726E-02 0.137E-01 RMM: 6 -0.354944884867E+03 -0.42306E-04 -0.26020E-04 3887 0.413E-02 0.160E-01 RMM: 7 -0.354944778799E+03 0.10607E-03 -0.12573E-04 3873 0.349E-02 0.107E-01 RMM: 8 -0.354944706547E+03 0.72252E-04 -0.38680E-05 3141 0.183E-02 0.317E-02 RMM: 9 -0.354944711602E+03 -0.50544E-05 -0.15595E-05 2507 0.115E-02 4143 T= 6746. E= 0.69920267E+03 F= 0.64339915E+03 E0= 0.67366094E+03 EK= 0.55804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355216654932E+03 -0.27195E+00 -0.17173E-01 7992 0.242E+01 0.265E-01 RMM: 2 -0.355223780799E+03 -0.71259E-02 -0.56531E-02 5239 0.559E-01 0.740E-01 RMM: 3 -0.355220230806E+03 0.35500E-02 -0.51529E-03 5555 0.148E-01 0.192E-01 RMM: 4 -0.355220601372E+03 -0.37057E-03 -0.10966E-03 4634 0.850E-02 0.340E-01 RMM: 5 -0.355219920768E+03 0.68060E-03 -0.61015E-04 4568 0.668E-02 0.139E-01 RMM: 6 -0.355219908898E+03 0.11871E-04 -0.23995E-04 3890 0.398E-02 0.136E-01 RMM: 7 -0.355219852364E+03 0.56533E-04 -0.11112E-04 3833 0.327E-02 0.109E-01 RMM: 8 -0.355219776290E+03 0.76074E-04 -0.37000E-05 3103 0.182E-02 0.304E-02 RMM: 9 -0.355219780423E+03 -0.41326E-05 -0.14217E-05 2494 0.108E-02 4144 T= 6677. E= 0.69806630E+03 F= 0.64283229E+03 E0= 0.67309144E+03 EK= 0.55234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355226992052E+03 -0.72158E-02 -0.16941E-01 7704 0.239E+01 0.282E-01 RMM: 2 -0.355234796502E+03 -0.78044E-02 -0.59807E-02 5149 0.566E-01 0.784E-01 RMM: 3 -0.355230699168E+03 0.40973E-02 -0.58444E-03 5473 0.161E-01 0.214E-01 RMM: 4 -0.355231163126E+03 -0.46396E-03 -0.12723E-03 4675 0.898E-02 0.362E-01 RMM: 5 -0.355230376785E+03 0.78634E-03 -0.58776E-04 4571 0.644E-02 0.150E-01 RMM: 6 -0.355230292442E+03 0.84342E-04 -0.19530E-04 3892 0.359E-02 0.106E-01 RMM: 7 -0.355230299923E+03 -0.74811E-05 -0.96447E-05 3770 0.286E-02 4145 T= 6494. E= 0.69624552E+03 F= 0.64252395E+03 E0= 0.67277511E+03 EK= 0.53722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355038167215E+03 0.19213E+00 -0.15965E-01 7560 0.235E+01 0.359E-01 RMM: 2 -0.355047349739E+03 -0.91825E-02 -0.67205E-02 5174 0.609E-01 0.933E-01 RMM: 3 -0.355041917274E+03 0.54325E-02 -0.75050E-03 5465 0.188E-01 0.292E-01 RMM: 4 -0.355042571932E+03 -0.65466E-03 -0.17439E-03 4793 0.102E-01 0.449E-01 RMM: 5 -0.355041292844E+03 0.12791E-02 -0.76815E-04 4591 0.728E-02 0.149E-01 RMM: 6 -0.355041242683E+03 0.50162E-04 -0.22190E-04 3891 0.377E-02 0.129E-01 RMM: 7 -0.355041241716E+03 0.96690E-06 -0.11861E-04 3872 0.304E-02 4146 T= 6274. E= 0.69431199E+03 F= 0.64240777E+03 E0= 0.67264627E+03 EK= 0.51904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354758134517E+03 0.28311E+00 -0.15563E-01 7428 0.231E+01 0.341E-01 RMM: 2 -0.354766750777E+03 -0.86163E-02 -0.62093E-02 5226 0.589E-01 0.903E-01 RMM: 3 -0.354761577164E+03 0.51736E-02 -0.67778E-03 5436 0.182E-01 0.277E-01 RMM: 4 -0.354762197017E+03 -0.61985E-03 -0.16435E-03 4734 0.989E-02 0.418E-01 RMM: 5 -0.354761136928E+03 0.10601E-02 -0.61604E-04 4596 0.636E-02 0.178E-01 RMM: 6 -0.354760953831E+03 0.18310E-03 -0.19976E-04 3897 0.369E-02 0.783E-02 RMM: 7 -0.354761026772E+03 -0.72941E-04 -0.90971E-05 3666 0.255E-02 0.140E-01 RMM: 8 -0.354760903262E+03 0.12351E-03 -0.47586E-05 3263 0.209E-02 0.355E-02 RMM: 9 -0.354760900797E+03 0.24645E-05 -0.14679E-05 2502 0.108E-02 4147 T= 6104. E= 0.69287587E+03 F= 0.64237562E+03 E0= 0.67259944E+03 EK= 0.50500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354514041385E+03 0.24686E+00 -0.15475E-01 7596 0.228E+01 0.366E-01 RMM: 2 -0.354527312829E+03 -0.13271E-01 -0.65657E-02 5237 0.611E-01 0.122E+00 RMM: 3 -0.354517481810E+03 0.98310E-02 -0.82273E-03 5392 0.207E-01 0.288E-01 RMM: 4 -0.354518013374E+03 -0.53156E-03 -0.19542E-03 4783 0.105E-01 0.414E-01 RMM: 5 -0.354517158061E+03 0.85531E-03 -0.64681E-04 4569 0.650E-02 0.235E-01 RMM: 6 -0.354516810133E+03 0.34793E-03 -0.25961E-04 3925 0.421E-02 0.665E-02 RMM: 7 -0.354516873394E+03 -0.63262E-04 -0.89230E-05 3682 0.254E-02 0.120E-01 RMM: 8 -0.354516774425E+03 0.98970E-04 -0.39698E-05 3132 0.193E-02 0.303E-02 RMM: 9 -0.354516772004E+03 0.24207E-05 -0.10655E-05 2482 0.921E-03 4148 T= 6050. E= 0.69235300E+03 F= 0.64230189E+03 E0= 0.67251029E+03 EK= 0.50051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354426374256E+03 0.90400E-01 -0.15671E-01 7620 0.228E+01 0.364E-01 RMM: 2 -0.354438303776E+03 -0.11930E-01 -0.65053E-02 5226 0.604E-01 0.114E+00 RMM: 3 -0.354429833417E+03 0.84704E-02 -0.78677E-03 5397 0.200E-01 0.272E-01 RMM: 4 -0.354430529717E+03 -0.69630E-03 -0.20070E-03 4828 0.109E-01 0.430E-01 RMM: 5 -0.354429417351E+03 0.11124E-02 -0.68047E-04 4608 0.675E-02 0.185E-01 RMM: 6 -0.354429216804E+03 0.20055E-03 -0.18710E-04 3891 0.354E-02 0.837E-02 RMM: 7 -0.354429283046E+03 -0.66242E-04 -0.11636E-04 3815 0.285E-02 0.139E-01 RMM: 8 -0.354429160107E+03 0.12294E-03 -0.59283E-05 3383 0.229E-02 0.365E-02 RMM: 9 -0.354429157373E+03 0.27341E-05 -0.15227E-05 2507 0.111E-02 4149 T= 6140. E= 0.69286484E+03 F= 0.64206926E+03 E0= 0.67226245E+03 EK= 0.50796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354587599058E+03 -0.15844E+00 -0.15972E-01 7800 0.230E+01 0.353E-01 RMM: 2 -0.354602379528E+03 -0.14780E-01 -0.64846E-02 5227 0.605E-01 0.131E+00 RMM: 3 -0.354591237270E+03 0.11142E-01 -0.80224E-03 5376 0.206E-01 0.287E-01 RMM: 4 -0.354591491023E+03 -0.25375E-03 -0.18074E-03 4743 0.101E-01 0.360E-01 RMM: 5 -0.354590904810E+03 0.58621E-03 -0.65557E-04 4582 0.660E-02 0.232E-01 RMM: 6 -0.354590579826E+03 0.32498E-03 -0.26949E-04 3905 0.430E-02 0.827E-02 RMM: 7 -0.354590647341E+03 -0.67515E-04 -0.12032E-04 3857 0.297E-02 0.133E-01 RMM: 8 -0.354590529057E+03 0.11828E-03 -0.55286E-05 3363 0.224E-02 0.400E-02 RMM: 9 -0.354590522346E+03 0.67111E-05 -0.12793E-05 2502 0.104E-02 4150 T= 6360. E= 0.69420153E+03 F= 0.64158821E+03 E0= 0.67176681E+03 EK= 0.52613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355041795185E+03 -0.45127E+00 -0.16529E-01 7848 0.233E+01 0.319E-01 RMM: 2 -0.355054043234E+03 -0.12248E-01 -0.63600E-02 5246 0.590E-01 0.113E+00 RMM: 3 -0.355045572228E+03 0.84710E-02 -0.71124E-03 5382 0.189E-01 0.237E-01 RMM: 4 -0.355045979719E+03 -0.40749E-03 -0.15648E-03 4677 0.954E-02 0.359E-01 RMM: 5 -0.355045283849E+03 0.69587E-03 -0.62154E-04 4602 0.662E-02 0.186E-01 RMM: 6 -0.355045096568E+03 0.18728E-03 -0.20740E-04 3888 0.374E-02 0.925E-02 RMM: 7 -0.355045130895E+03 -0.34327E-04 -0.10280E-04 3795 0.293E-02 0.125E-01 RMM: 8 -0.355045028850E+03 0.10204E-03 -0.43596E-05 3192 0.202E-02 0.262E-02 RMM: 9 -0.355045034378E+03 -0.55276E-05 -0.14070E-05 2500 0.107E-02 4151 T= 6647. E= 0.69580485E+03 F= 0.64081622E+03 E0= 0.67098151E+03 EK= 0.54989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355776446733E+03 -0.73142E+00 -0.17487E-01 7956 0.237E+01 0.291E-01 RMM: 2 -0.355786241846E+03 -0.97951E-02 -0.67145E-02 5260 0.609E-01 0.924E-01 RMM: 3 -0.355780840075E+03 0.54018E-02 -0.66280E-03 5469 0.174E-01 0.228E-01 RMM: 4 -0.355781015948E+03 -0.17587E-03 -0.12444E-03 4643 0.858E-02 0.312E-01 RMM: 5 -0.355780534907E+03 0.48104E-03 -0.70695E-04 4591 0.727E-02 0.184E-01 RMM: 6 -0.355780382001E+03 0.15291E-03 -0.23788E-04 3906 0.400E-02 0.109E-01 RMM: 7 -0.355780388435E+03 -0.64344E-05 -0.11917E-04 3849 0.327E-02 4152 T= 6899. E= 0.69683795E+03 F= 0.63976508E+03 E0= 0.66991848E+03 EK= 0.57073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356723771734E+03 -0.94339E+00 -0.18066E-01 8052 0.239E+01 0.316E-01 RMM: 2 -0.356731287040E+03 -0.75153E-02 -0.69914E-02 5228 0.626E-01 0.682E-01 RMM: 3 -0.356728319608E+03 0.29674E-02 -0.67770E-03 5516 0.172E-01 0.255E-01 RMM: 4 -0.356728754737E+03 -0.43513E-03 -0.14442E-03 4680 0.955E-02 0.392E-01 RMM: 5 -0.356727779807E+03 0.97493E-03 -0.96384E-04 4608 0.847E-02 0.137E-01 RMM: 6 -0.356727847904E+03 -0.68097E-04 -0.29930E-04 3913 0.451E-02 0.178E-01 RMM: 7 -0.356727713752E+03 0.13415E-03 -0.16368E-04 3873 0.394E-02 0.120E-01 RMM: 8 -0.356727623445E+03 0.90308E-04 -0.59479E-05 3389 0.224E-02 0.380E-02 RMM: 9 -0.356727637136E+03 -0.13692E-04 -0.24841E-05 2608 0.148E-02 4153 T= 7008. E= 0.69647524E+03 F= 0.63850096E+03 E0= 0.66864374E+03 EK= 0.57974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357777390246E+03 -0.10498E+01 -0.18420E-01 7956 0.239E+01 0.277E-01 RMM: 2 -0.357789196284E+03 -0.11806E-01 -0.75809E-02 5134 0.649E-01 0.983E-01 RMM: 3 -0.357782676027E+03 0.65203E-02 -0.80490E-03 5465 0.193E-01 0.214E-01 RMM: 4 -0.357782749012E+03 -0.72985E-04 -0.10663E-03 4653 0.762E-02 0.268E-01 RMM: 5 -0.357782417289E+03 0.33172E-03 -0.63708E-04 4590 0.700E-02 0.176E-01 RMM: 6 -0.357782256923E+03 0.16037E-03 -0.26655E-04 3898 0.431E-02 0.893E-02 RMM: 7 -0.357782269076E+03 -0.12152E-04 -0.93087E-05 3807 0.303E-02 4154 T= 6918. E= 0.69435528E+03 F= 0.63712390E+03 E0= 0.66725734E+03 EK= 0.57231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358833920765E+03 -0.10517E+01 -0.17388E-01 8016 0.235E+01 0.362E-01 RMM: 2 -0.358841579251E+03 -0.76585E-02 -0.67438E-02 5190 0.604E-01 0.778E-01 RMM: 3 -0.358837662805E+03 0.39164E-02 -0.68251E-03 5390 0.183E-01 0.305E-01 RMM: 4 -0.358838523791E+03 -0.86099E-03 -0.18982E-03 4812 0.108E-01 0.491E-01 RMM: 5 -0.358836982687E+03 0.15411E-02 -0.11140E-03 4608 0.904E-02 0.149E-01 RMM: 6 -0.358836980494E+03 0.21925E-05 -0.26965E-04 3894 0.424E-02 0.157E-01 RMM: 7 -0.358836878169E+03 0.10233E-03 -0.16576E-04 3879 0.397E-02 0.112E-01 RMM: 8 -0.358836800872E+03 0.77297E-04 -0.53997E-05 3328 0.218E-02 0.386E-02 RMM: 9 -0.358836814054E+03 -0.13182E-04 -0.26095E-05 2635 0.150E-02 4155 T= 6661. E= 0.69084447E+03 F= 0.63573656E+03 E0= 0.66586121E+03 EK= 0.55108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359804298459E+03 -0.96750E+00 -0.16348E-01 7860 0.230E+01 0.302E-01 RMM: 2 -0.359813046082E+03 -0.87476E-02 -0.61678E-02 5137 0.585E-01 0.884E-01 RMM: 3 -0.359807836033E+03 0.52100E-02 -0.65890E-03 5483 0.180E-01 0.219E-01 RMM: 4 -0.359808325368E+03 -0.48934E-03 -0.12639E-03 4631 0.861E-02 0.365E-01 RMM: 5 -0.359807599541E+03 0.72583E-03 -0.61771E-04 4577 0.671E-02 0.185E-01 RMM: 6 -0.359807407657E+03 0.19188E-03 -0.23902E-04 3893 0.406E-02 0.804E-02 RMM: 7 -0.359807435581E+03 -0.27923E-04 -0.82016E-05 3733 0.283E-02 0.111E-01 RMM: 8 -0.359807356274E+03 0.79306E-04 -0.25911E-05 2864 0.162E-02 0.268E-02 RMM: 9 -0.359807357145E+03 -0.87051E-06 -0.10866E-05 2466 0.946E-03 4156 T= 6336. E= 0.68683852E+03 F= 0.63441915E+03 E0= 0.66453647E+03 EK= 0.52419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360638627881E+03 -0.83127E+00 -0.15907E-01 7728 0.225E+01 0.353E-01 RMM: 2 -0.360642842984E+03 -0.42151E-02 -0.52207E-02 5332 0.512E-01 0.562E-01 RMM: 3 -0.360641002848E+03 0.18401E-02 -0.46588E-03 5379 0.152E-01 0.338E-01 RMM: 4 -0.360641703186E+03 -0.70034E-03 -0.16926E-03 4703 0.106E-01 0.489E-01 RMM: 5 -0.360640146291E+03 0.15569E-02 -0.86942E-04 4602 0.781E-02 0.114E-01 RMM: 6 -0.360640177716E+03 -0.31424E-04 -0.20153E-04 3887 0.364E-02 0.142E-01 RMM: 7 -0.360640096169E+03 0.81547E-04 -0.93287E-05 3757 0.292E-02 0.990E-02 RMM: 8 -0.360640033129E+03 0.63040E-04 -0.36327E-05 3066 0.182E-02 0.325E-02 RMM: 9 -0.360640040844E+03 -0.77152E-05 -0.18499E-05 2525 0.123E-02 4157 T= 6053. E= 0.68329700E+03 F= 0.63322421E+03 E0= 0.66333489E+03 EK= 0.50073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361302984609E+03 -0.66295E+00 -0.15549E-01 7980 0.221E+01 0.347E-01 RMM: 2 -0.361308528653E+03 -0.55440E-02 -0.49916E-02 5302 0.511E-01 0.748E-01 RMM: 3 -0.361304998081E+03 0.35306E-02 -0.47408E-03 5447 0.152E-01 0.268E-01 RMM: 4 -0.361306089872E+03 -0.10918E-02 -0.16593E-03 4658 0.103E-01 0.503E-01 RMM: 5 -0.361304439522E+03 0.16504E-02 -0.83997E-04 4603 0.771E-02 0.123E-01 RMM: 6 -0.361304438680E+03 0.84186E-06 -0.22722E-04 3884 0.385E-02 0.132E-01 RMM: 7 -0.361304382673E+03 0.56007E-04 -0.91038E-05 3768 0.296E-02 0.105E-01 RMM: 8 -0.361304313318E+03 0.69355E-04 -0.29442E-05 2955 0.165E-02 0.303E-02 RMM: 9 -0.361304320321E+03 -0.70039E-05 -0.17738E-05 2512 0.119E-02 4158 T= 5889. E= 0.68090429E+03 F= 0.63218394E+03 E0= 0.66228868E+03 EK= 0.48720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361777768072E+03 -0.47345E+00 -0.15623E-01 8088 0.220E+01 0.340E-01 RMM: 2 -0.361781682837E+03 -0.39148E-02 -0.48428E-02 5310 0.490E-01 0.550E-01 RMM: 3 -0.361779935106E+03 0.17477E-02 -0.42426E-03 5393 0.143E-01 0.323E-01 RMM: 4 -0.361780560469E+03 -0.62536E-03 -0.16476E-03 4669 0.105E-01 0.464E-01 RMM: 5 -0.361779167039E+03 0.13934E-02 -0.80135E-04 4601 0.749E-02 0.119E-01 RMM: 6 -0.361779173191E+03 -0.61524E-05 -0.18679E-04 3880 0.347E-02 4159 T= 5882. E= 0.67998489E+03 F= 0.63132363E+03 E0= 0.66142342E+03 EK= 0.48661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362038690228E+03 -0.25952E+00 -0.16011E-01 8412 0.222E+01 0.453E-01 RMM: 2 -0.362059163063E+03 -0.20473E-01 -0.60154E-02 5254 0.582E-01 0.169E+00 RMM: 3 -0.362040574963E+03 0.18588E-01 -0.11274E-02 5335 0.262E-01 0.329E-01 RMM: 4 -0.362041126928E+03 -0.55196E-03 -0.23444E-03 4914 0.112E-01 0.465E-01 RMM: 5 -0.362040174927E+03 0.95200E-03 -0.13654E-03 4608 0.101E-01 0.298E-01 RMM: 6 -0.362039669299E+03 0.50563E-03 -0.50515E-04 4455 0.585E-02 0.120E-01 RMM: 7 -0.362039738219E+03 -0.68920E-04 -0.19995E-04 3877 0.394E-02 0.169E-01 RMM: 8 -0.362039553366E+03 0.18485E-03 -0.10828E-04 3818 0.317E-02 0.516E-02 RMM: 9 -0.362039554360E+03 -0.99447E-06 -0.29120E-05 2891 0.157E-02 4160 T= 6027. E= 0.68053351E+03 F= 0.63067395E+03 E0= 0.66076756E+03 EK= 0.49860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362053997149E+03 -0.14444E-01 -0.16692E-01 7992 0.226E+01 0.406E-01 RMM: 2 -0.362081113615E+03 -0.27116E-01 -0.60624E-02 5227 0.567E-01 0.192E+00 RMM: 3 -0.362056574732E+03 0.24539E-01 -0.11651E-02 5344 0.265E-01 0.335E-01 RMM: 4 -0.362056512019E+03 0.62713E-04 -0.22719E-03 4921 0.109E-01 0.346E-01 RMM: 5 -0.362056258656E+03 0.25336E-03 -0.78214E-04 4607 0.761E-02 0.299E-01 RMM: 6 -0.362055668315E+03 0.59034E-03 -0.29884E-04 3907 0.460E-02 0.616E-02 RMM: 7 -0.362055738917E+03 -0.70602E-04 -0.11944E-04 3844 0.291E-02 0.125E-01 RMM: 8 -0.362055636213E+03 0.10270E-03 -0.50922E-05 3324 0.221E-02 0.307E-02 RMM: 9 -0.362055632788E+03 0.34247E-05 -0.84984E-06 2479 0.839E-03 4161 T= 6281. E= 0.68223348E+03 F= 0.63026983E+03 E0= 0.66035754E+03 EK= 0.51964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361792745482E+03 0.26289E+00 -0.17852E-01 8340 0.231E+01 0.379E-01 RMM: 2 -0.361806744492E+03 -0.13999E-01 -0.66510E-02 5193 0.595E-01 0.126E+00 RMM: 3 -0.361796135264E+03 0.10609E-01 -0.85951E-03 5381 0.215E-01 0.298E-01 RMM: 4 -0.361796589924E+03 -0.45466E-03 -0.20310E-03 4836 0.108E-01 0.414E-01 RMM: 5 -0.361795653036E+03 0.93689E-03 -0.11239E-03 4608 0.923E-02 0.222E-01 RMM: 6 -0.361795414023E+03 0.23901E-03 -0.29915E-04 3892 0.445E-02 0.124E-01 RMM: 7 -0.361795390701E+03 0.23322E-04 -0.18031E-04 3874 0.407E-02 0.124E-01 RMM: 8 -0.361795293172E+03 0.97529E-04 -0.67908E-05 3481 0.246E-02 0.387E-02 RMM: 9 -0.361795300647E+03 -0.74749E-05 -0.18204E-05 2544 0.124E-02 4162 T= 6566. E= 0.68446694E+03 F= 0.63014650E+03 E0= 0.66022615E+03 EK= 0.54320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361236575447E+03 0.55872E+00 -0.18472E-01 8220 0.235E+01 0.336E-01 RMM: 2 -0.361247317519E+03 -0.10742E-01 -0.68606E-02 5223 0.595E-01 0.103E+00 RMM: 3 -0.361240400984E+03 0.69165E-02 -0.71858E-03 5427 0.187E-01 0.246E-01 RMM: 4 -0.361241020363E+03 -0.61938E-03 -0.16255E-03 4697 0.980E-02 0.415E-01 RMM: 5 -0.361240047091E+03 0.97327E-03 -0.90314E-04 4608 0.825E-02 0.190E-01 RMM: 6 -0.361239879369E+03 0.16772E-03 -0.27137E-04 3891 0.422E-02 0.112E-01 RMM: 7 -0.361239894457E+03 -0.15088E-04 -0.13165E-04 3854 0.341E-02 4163 T= 6781. E= 0.68642331E+03 F= 0.63032296E+03 E0= 0.66039181E+03 EK= 0.56100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360398166721E+03 0.84171E+00 -0.19079E-01 8124 0.238E+01 0.371E-01 RMM: 2 -0.360405713783E+03 -0.75471E-02 -0.78163E-02 5162 0.623E-01 0.675E-01 RMM: 3 -0.360402802387E+03 0.29114E-02 -0.75545E-03 5466 0.183E-01 0.323E-01 RMM: 4 -0.360403834660E+03 -0.10323E-02 -0.21151E-03 4899 0.118E-01 0.540E-01 RMM: 5 -0.360402011238E+03 0.18234E-02 -0.11363E-03 4609 0.893E-02 0.145E-01 RMM: 6 -0.360402061021E+03 -0.49783E-04 -0.31875E-04 3915 0.452E-02 0.178E-01 RMM: 7 -0.360401891727E+03 0.16929E-03 -0.16274E-04 3872 0.402E-02 0.945E-02 RMM: 8 -0.360401840471E+03 0.51256E-04 -0.35967E-05 3031 0.183E-02 0.442E-02 RMM: 9 -0.360401852451E+03 -0.11980E-04 -0.28922E-05 2774 0.154E-02 4164 T= 6844. E= 0.68740067E+03 F= 0.63078459E+03 E0= 0.66083824E+03 EK= 0.56616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359329145019E+03 0.10727E+01 -0.18982E-01 7980 0.237E+01 0.309E-01 RMM: 2 -0.359338754160E+03 -0.96091E-02 -0.82398E-02 5064 0.648E-01 0.787E-01 RMM: 3 -0.359334491645E+03 0.42625E-02 -0.81440E-03 5568 0.188E-01 0.253E-01 RMM: 4 -0.359334999364E+03 -0.50772E-03 -0.15365E-03 4793 0.967E-02 0.394E-01 RMM: 5 -0.359334093252E+03 0.90611E-03 -0.73518E-04 4608 0.734E-02 0.174E-01 RMM: 6 -0.359333926945E+03 0.16631E-03 -0.21090E-04 3895 0.374E-02 0.798E-02 RMM: 7 -0.359333960645E+03 -0.33700E-04 -0.76750E-05 3594 0.259E-02 0.113E-01 RMM: 8 -0.359333879051E+03 0.81594E-04 -0.29753E-05 2968 0.172E-02 0.251E-02 RMM: 9 -0.359333879776E+03 -0.72541E-06 -0.92592E-06 2464 0.847E-03 4165 T= 6732. E= 0.68716962E+03 F= 0.63147508E+03 E0= 0.66150862E+03 EK= 0.55695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358118395191E+03 0.12155E+01 -0.18669E-01 7944 0.234E+01 0.397E-01 RMM: 2 -0.358128013134E+03 -0.96179E-02 -0.80434E-02 5155 0.628E-01 0.879E-01 RMM: 3 -0.358122661725E+03 0.53514E-02 -0.81023E-03 5457 0.193E-01 0.308E-01 RMM: 4 -0.358123773143E+03 -0.11114E-02 -0.24538E-03 5098 0.123E-01 0.534E-01 RMM: 5 -0.358122004476E+03 0.17687E-02 -0.11393E-03 4609 0.907E-02 0.179E-01 RMM: 6 -0.358121871094E+03 0.13338E-03 -0.25378E-04 3906 0.407E-02 0.119E-01 RMM: 7 -0.358121882027E+03 -0.10932E-04 -0.12953E-04 3871 0.327E-02 4166 T= 6502. E= 0.68609302E+03 F= 0.63230508E+03 E0= 0.66231421E+03 EK= 0.53788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356862063659E+03 0.12598E+01 -0.17985E-01 7812 0.230E+01 0.414E-01 RMM: 2 -0.356870861414E+03 -0.87978E-02 -0.79182E-02 5168 0.637E-01 0.853E-01 RMM: 3 -0.356866222361E+03 0.46391E-02 -0.85392E-03 5452 0.203E-01 0.343E-01 RMM: 4 -0.356867512508E+03 -0.12901E-02 -0.22359E-03 5027 0.116E-01 0.578E-01 RMM: 5 -0.356865358522E+03 0.21540E-02 -0.11986E-03 4611 0.921E-02 0.154E-01 RMM: 6 -0.356865316454E+03 0.42069E-04 -0.29865E-04 3912 0.438E-02 0.142E-01 RMM: 7 -0.356865266112E+03 0.50341E-04 -0.13506E-04 3880 0.342E-02 0.123E-01 RMM: 8 -0.356865171478E+03 0.94635E-04 -0.49895E-05 3305 0.209E-02 0.413E-02 RMM: 9 -0.356865180770E+03 -0.92922E-05 -0.25023E-05 2713 0.141E-02 4167 T= 6250. E= 0.68488148E+03 F= 0.63317348E+03 E0= 0.66315625E+03 EK= 0.51708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355649188199E+03 0.12160E+01 -0.16989E-01 8148 0.226E+01 0.355E-01 RMM: 2 -0.355658072314E+03 -0.88841E-02 -0.69956E-02 5344 0.571E-01 0.865E-01 RMM: 3 -0.355652781662E+03 0.52907E-02 -0.63718E-03 5400 0.177E-01 0.278E-01 RMM: 4 -0.355653840697E+03 -0.10590E-02 -0.18576E-03 4779 0.105E-01 0.503E-01 RMM: 5 -0.355652273756E+03 0.15669E-02 -0.87906E-04 4608 0.797E-02 0.152E-01 RMM: 6 -0.355652157677E+03 0.11608E-03 -0.19606E-04 3905 0.360E-02 0.848E-02 RMM: 7 -0.355652193220E+03 -0.35543E-04 -0.75585E-05 3579 0.247E-02 0.116E-01 RMM: 8 -0.355652104787E+03 0.88433E-04 -0.39250E-05 3118 0.195E-02 0.270E-02 RMM: 9 -0.355652105248E+03 -0.46137E-06 -0.10111E-05 2473 0.886E-03 4168 T= 6072. E= 0.68422619E+03 F= 0.63399258E+03 E0= 0.66394634E+03 EK= 0.50234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354539666306E+03 0.11124E+01 -0.16518E-01 8148 0.225E+01 0.387E-01 RMM: 2 -0.354547059454E+03 -0.73931E-02 -0.68441E-02 5352 0.566E-01 0.779E-01 RMM: 3 -0.354542928856E+03 0.41306E-02 -0.58835E-03 5417 0.169E-01 0.321E-01 RMM: 4 -0.354544092773E+03 -0.11639E-02 -0.22202E-03 4942 0.118E-01 0.548E-01 RMM: 5 -0.354542178341E+03 0.19144E-02 -0.11221E-03 4612 0.900E-02 0.152E-01 RMM: 6 -0.354542106834E+03 0.71508E-04 -0.22883E-04 3890 0.384E-02 0.121E-01 RMM: 7 -0.354542080969E+03 0.25865E-04 -0.11166E-04 3861 0.312E-02 0.118E-01 RMM: 8 -0.354541992873E+03 0.88096E-04 -0.45444E-05 3262 0.200E-02 0.331E-02 RMM: 9 -0.354542002949E+03 -0.10076E-04 -0.21414E-05 2601 0.132E-02 4169 T= 6027. E= 0.68456626E+03 F= 0.63470602E+03 E0= 0.66463051E+03 EK= 0.49860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353554411914E+03 0.98758E+00 -0.16714E-01 8520 0.226E+01 0.367E-01 RMM: 2 -0.353565130351E+03 -0.10718E-01 -0.72620E-02 5261 0.590E-01 0.101E+00 RMM: 3 -0.353558243318E+03 0.68870E-02 -0.71767E-03 5420 0.188E-01 0.282E-01 RMM: 4 -0.353559009343E+03 -0.76603E-03 -0.20333E-03 4836 0.111E-01 0.454E-01 RMM: 5 -0.353557782299E+03 0.12270E-02 -0.92138E-04 4605 0.817E-02 0.198E-01 RMM: 6 -0.353557565247E+03 0.21705E-03 -0.23978E-04 3899 0.400E-02 0.933E-02 RMM: 7 -0.353557619640E+03 -0.54393E-04 -0.13146E-04 3872 0.326E-02 0.137E-01 RMM: 8 -0.353557495286E+03 0.12435E-03 -0.62972E-05 3429 0.238E-02 0.337E-02 RMM: 9 -0.353557498379E+03 -0.30921E-05 -0.15667E-05 2528 0.114E-02 4170 T= 6131. E= 0.68601866E+03 F= 0.63529542E+03 E0= 0.66519187E+03 EK= 0.50723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352688091329E+03 0.86940E+00 -0.17259E-01 8436 0.231E+01 0.353E-01 RMM: 2 -0.352699345446E+03 -0.11254E-01 -0.78167E-02 5282 0.604E-01 0.970E-01 RMM: 3 -0.352692504741E+03 0.68407E-02 -0.69206E-03 5430 0.182E-01 0.258E-01 RMM: 4 -0.352693370388E+03 -0.86565E-03 -0.20455E-03 4861 0.113E-01 0.465E-01 RMM: 5 -0.352692091784E+03 0.12786E-02 -0.95544E-04 4597 0.830E-02 0.188E-01 RMM: 6 -0.352691926347E+03 0.16544E-03 -0.27366E-04 3904 0.425E-02 0.112E-01 RMM: 7 -0.352691948661E+03 -0.22313E-04 -0.13913E-04 3872 0.347E-02 0.135E-01 RMM: 8 -0.352691829850E+03 0.11881E-03 -0.58931E-05 3398 0.229E-02 0.340E-02 RMM: 9 -0.352691834092E+03 -0.42418E-05 -0.17581E-05 2530 0.121E-02 4171 T= 6357. E= 0.68836182E+03 F= 0.63577145E+03 E0= 0.66564197E+03 EK= 0.52590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351913620556E+03 0.77821E+00 -0.18310E-01 8448 0.236E+01 0.341E-01 RMM: 2 -0.351925970899E+03 -0.12350E-01 -0.90594E-02 5212 0.658E-01 0.979E-01 RMM: 3 -0.351919461551E+03 0.65093E-02 -0.83437E-03 5484 0.196E-01 0.272E-01 RMM: 4 -0.351919806653E+03 -0.34510E-03 -0.17846E-03 4803 0.103E-01 0.379E-01 RMM: 5 -0.351918932516E+03 0.87414E-03 -0.93968E-04 4599 0.835E-02 0.177E-01 RMM: 6 -0.351918827251E+03 0.10526E-03 -0.27381E-04 3897 0.425E-02 0.130E-01 RMM: 7 -0.351918814577E+03 0.12674E-04 -0.14110E-04 3871 0.357E-02 4172 T= 6633. E= 0.69103443E+03 F= 0.63616242E+03 E0= 0.66601065E+03 EK= 0.54872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351202392207E+03 0.71644E+00 -0.19127E-01 8052 0.241E+01 0.368E-01 RMM: 2 -0.351214736699E+03 -0.12344E-01 -0.10583E-01 5190 0.714E-01 0.868E-01 RMM: 3 -0.351209391727E+03 0.53450E-02 -0.96640E-03 5641 0.200E-01 0.289E-01 RMM: 4 -0.351210131986E+03 -0.74026E-03 -0.21772E-03 4980 0.119E-01 0.483E-01 RMM: 5 -0.351208673511E+03 0.14585E-02 -0.12391E-03 4613 0.944E-02 0.157E-01 RMM: 6 -0.351208753219E+03 -0.79707E-04 -0.34973E-04 3949 0.475E-02 0.200E-01 RMM: 7 -0.351208546959E+03 0.20626E-03 -0.20118E-04 3884 0.439E-02 0.110E-01 RMM: 8 -0.351208474596E+03 0.72362E-04 -0.62085E-05 3393 0.229E-02 0.439E-02 RMM: 9 -0.351208489409E+03 -0.14813E-04 -0.29671E-05 2730 0.158E-02 4173 T= 6858. E= 0.69323181E+03 F= 0.63649776E+03 E0= 0.66632809E+03 EK= 0.56734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350539808030E+03 0.66867E+00 -0.20004E-01 8124 0.243E+01 0.305E-01 RMM: 2 -0.350554300296E+03 -0.14492E-01 -0.11546E-01 5106 0.743E-01 0.919E-01 RMM: 3 -0.350548078931E+03 0.62214E-02 -0.10835E-02 5699 0.211E-01 0.242E-01 RMM: 4 -0.350548158726E+03 -0.79795E-04 -0.14164E-03 4767 0.906E-02 0.311E-01 RMM: 5 -0.350547643841E+03 0.51489E-03 -0.69014E-04 4595 0.716E-02 0.186E-01 RMM: 6 -0.350547479502E+03 0.16434E-03 -0.27305E-04 3896 0.430E-02 0.102E-01 RMM: 7 -0.350547486327E+03 -0.68251E-05 -0.92579E-05 3711 0.296E-02 4174 T= 6940. E= 0.69420194E+03 F= 0.63678782E+03 E0= 0.66660542E+03 EK= 0.57414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349944749815E+03 0.60273E+00 -0.20200E-01 8100 0.243E+01 0.401E-01 RMM: 2 -0.349956325993E+03 -0.11576E-01 -0.11905E-01 5248 0.743E-01 0.740E-01 RMM: 3 -0.349952332286E+03 0.39937E-02 -0.10523E-02 5717 0.206E-01 0.329E-01 RMM: 4 -0.349953479368E+03 -0.11471E-02 -0.22556E-03 5021 0.120E-01 0.572E-01 RMM: 5 -0.349951310747E+03 0.21686E-02 -0.12475E-03 4603 0.929E-02 0.114E-01 RMM: 6 -0.349951537802E+03 -0.22706E-03 -0.35367E-04 4008 0.479E-02 0.225E-01 RMM: 7 -0.349951257535E+03 0.28027E-03 -0.15542E-04 3886 0.374E-02 0.104E-01 RMM: 8 -0.349951191529E+03 0.66006E-04 -0.50150E-05 3282 0.200E-02 0.420E-02 RMM: 9 -0.349951208506E+03 -0.16977E-04 -0.31172E-05 2812 0.160E-02 4175 T= 6846. E= 0.69364369E+03 F= 0.63701269E+03 E0= 0.66682411E+03 EK= 0.56631E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349455618727E+03 0.49557E+00 -0.19961E-01 8244 0.239E+01 0.335E-01 RMM: 2 -0.349469131740E+03 -0.13513E-01 -0.11662E-01 5239 0.743E-01 0.873E-01 RMM: 3 -0.349463536881E+03 0.55949E-02 -0.10301E-02 5786 0.203E-01 0.255E-01 RMM: 4 -0.349464004362E+03 -0.46748E-03 -0.17058E-03 4851 0.102E-01 0.403E-01 RMM: 5 -0.349463064407E+03 0.93995E-03 -0.71230E-04 4597 0.700E-02 0.193E-01 RMM: 6 -0.349462870336E+03 0.19407E-03 -0.26673E-04 3906 0.425E-02 0.941E-02 RMM: 7 -0.349462907515E+03 -0.37179E-04 -0.92106E-05 3686 0.282E-02 0.126E-01 RMM: 8 -0.349462804392E+03 0.10312E-03 -0.37548E-05 3119 0.188E-02 0.315E-02 RMM: 9 -0.349462803549E+03 0.84382E-06 -0.12650E-05 2490 0.997E-03 4176 T= 6619. E= 0.69188450E+03 F= 0.63712472E+03 E0= 0.66693514E+03 EK= 0.54760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349129024863E+03 0.33378E+00 -0.19330E-01 8196 0.234E+01 0.396E-01 RMM: 2 -0.349141080011E+03 -0.12055E-01 -0.11915E-01 5320 0.729E-01 0.765E-01 RMM: 3 -0.349136551152E+03 0.45289E-02 -0.95348E-03 5510 0.204E-01 0.323E-01 RMM: 4 -0.349137467402E+03 -0.91625E-03 -0.22350E-03 5059 0.118E-01 0.520E-01 RMM: 5 -0.349135681023E+03 0.17864E-02 -0.10745E-03 4604 0.867E-02 0.136E-01 RMM: 6 -0.349135700488E+03 -0.19465E-04 -0.27573E-04 3908 0.422E-02 0.154E-01 RMM: 7 -0.349135632388E+03 0.68100E-04 -0.11940E-04 3888 0.318E-02 0.125E-01 RMM: 8 -0.349135529934E+03 0.10245E-03 -0.53226E-05 3328 0.211E-02 0.349E-02 RMM: 9 -0.349135538033E+03 -0.80989E-05 -0.21245E-05 2596 0.131E-02 4177 T= 6358. E= 0.68966401E+03 F= 0.63706755E+03 E0= 0.66688278E+03 EK= 0.52596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349004742113E+03 0.13079E+00 -0.19225E-01 8436 0.230E+01 0.395E-01 RMM: 2 -0.349021644575E+03 -0.16902E-01 -0.12230E-01 5183 0.756E-01 0.113E+00 RMM: 3 -0.349012469272E+03 0.91753E-02 -0.11205E-02 5537 0.223E-01 0.272E-01 RMM: 4 -0.349013559051E+03 -0.10898E-02 -0.25221E-03 5256 0.124E-01 0.513E-01 RMM: 5 -0.349011965524E+03 0.15935E-02 -0.97804E-04 4602 0.830E-02 0.200E-01 RMM: 6 -0.349011767265E+03 0.19826E-03 -0.28983E-04 3906 0.436E-02 0.111E-01 RMM: 7 -0.349011808305E+03 -0.41040E-04 -0.13424E-04 3879 0.326E-02 0.145E-01 RMM: 8 -0.349011672634E+03 0.13567E-03 -0.64097E-05 3434 0.236E-02 0.342E-02 RMM: 9 -0.349011678247E+03 -0.56124E-05 -0.17363E-05 2548 0.117E-02 4178 T= 6158. E= 0.68773876E+03 F= 0.63679818E+03 E0= 0.66662203E+03 EK= 0.50941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349101013855E+03 -0.89341E-01 -0.19286E-01 8784 0.227E+01 0.384E-01 RMM: 2 -0.349113815208E+03 -0.12801E-01 -0.11570E-01 5356 0.714E-01 0.854E-01 RMM: 3 -0.349108286868E+03 0.55283E-02 -0.89990E-03 5413 0.207E-01 0.316E-01 RMM: 4 -0.349109278091E+03 -0.99122E-03 -0.23485E-03 5085 0.120E-01 0.515E-01 RMM: 5 -0.349107641320E+03 0.16368E-02 -0.98930E-04 4610 0.834E-02 0.186E-01 RMM: 6 -0.349107480688E+03 0.16063E-03 -0.29104E-04 3930 0.441E-02 0.114E-01 RMM: 7 -0.349107526066E+03 -0.45378E-04 -0.12455E-04 3876 0.317E-02 0.149E-01 RMM: 8 -0.349107381462E+03 0.14460E-03 -0.60118E-05 3418 0.229E-02 0.374E-02 RMM: 9 -0.349107383129E+03 -0.16676E-05 -0.18839E-05 2555 0.123E-02 4179 T= 6081. E= 0.68661016E+03 F= 0.63630218E+03 E0= 0.66613770E+03 EK= 0.50308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349392056076E+03 -0.28467E+00 -0.19286E-01 8928 0.226E+01 0.387E-01 RMM: 2 -0.349409962268E+03 -0.17906E-01 -0.11391E-01 5317 0.702E-01 0.123E+00 RMM: 3 -0.349398950132E+03 0.11012E-01 -0.92088E-03 5394 0.212E-01 0.248E-01 RMM: 4 -0.349400118724E+03 -0.11686E-02 -0.24180E-03 5158 0.122E-01 0.513E-01 RMM: 5 -0.349398542913E+03 0.15758E-02 -0.99404E-04 4606 0.848E-02 0.193E-01 RMM: 6 -0.349398373661E+03 0.16925E-03 -0.30161E-04 3907 0.442E-02 0.121E-01 RMM: 7 -0.349398364635E+03 0.90265E-05 -0.13974E-04 3876 0.352E-02 4180 T= 6145. E= 0.68644510E+03 F= 0.63560715E+03 E0= 0.66545609E+03 EK= 0.50838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349812290619E+03 -0.41392E+00 -0.20328E-01 9024 0.228E+01 0.390E-01 RMM: 2 -0.349825060398E+03 -0.12770E-01 -0.12431E-01 5378 0.716E-01 0.764E-01 RMM: 3 -0.349820308049E+03 0.47523E-02 -0.86927E-03 5459 0.202E-01 0.345E-01 RMM: 4 -0.349821239896E+03 -0.93185E-03 -0.23427E-03 4990 0.121E-01 0.532E-01 RMM: 5 -0.349819429958E+03 0.18099E-02 -0.13143E-03 4608 0.972E-02 0.163E-01 RMM: 6 -0.349819466217E+03 -0.36259E-04 -0.34321E-04 3943 0.473E-02 0.186E-01 RMM: 7 -0.349819311939E+03 0.15428E-03 -0.19758E-04 3887 0.429E-02 0.125E-01 RMM: 8 -0.349819217083E+03 0.94856E-04 -0.67534E-05 3450 0.239E-02 0.440E-02 RMM: 9 -0.349819232186E+03 -0.15102E-04 -0.32209E-05 2874 0.162E-02 4181 T= 6322. E= 0.68708312E+03 F= 0.63478197E+03 E0= 0.66464510E+03 EK= 0.52301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350260564115E+03 -0.44135E+00 -0.21493E-01 8940 0.232E+01 0.306E-01 RMM: 2 -0.350277357677E+03 -0.16794E-01 -0.12993E-01 5502 0.732E-01 0.969E-01 RMM: 3 -0.350269829315E+03 0.75284E-02 -0.82079E-03 5506 0.192E-01 0.224E-01 RMM: 4 -0.350270153848E+03 -0.32453E-03 -0.15271E-03 4702 0.956E-02 0.353E-01 RMM: 5 -0.350269414774E+03 0.73907E-03 -0.85893E-04 4603 0.816E-02 0.162E-01 RMM: 6 -0.350269375098E+03 0.39675E-04 -0.31960E-04 3899 0.460E-02 0.147E-01 RMM: 7 -0.350269336583E+03 0.38516E-04 -0.14130E-04 3871 0.366E-02 0.131E-01 RMM: 8 -0.350269224006E+03 0.11258E-03 -0.49712E-05 3294 0.209E-02 0.291E-02 RMM: 9 -0.350269226359E+03 -0.23534E-05 -0.13290E-05 2501 0.106E-02 4182 T= 6545. E= 0.68807272E+03 F= 0.63392966E+03 E0= 0.66380520E+03 EK= 0.54143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350626931268E+03 -0.35771E+00 -0.22762E-01 9000 0.236E+01 0.362E-01 RMM: 2 -0.350640684964E+03 -0.13754E-01 -0.13491E-01 5632 0.739E-01 0.726E-01 RMM: 3 -0.350636055913E+03 0.46291E-02 -0.80164E-03 5610 0.189E-01 0.303E-01 RMM: 4 -0.350636704569E+03 -0.64866E-03 -0.20254E-03 4785 0.114E-01 0.470E-01 RMM: 5 -0.350635369906E+03 0.13347E-02 -0.12003E-03 4612 0.945E-02 0.185E-01 RMM: 6 -0.350635323906E+03 0.46000E-04 -0.40224E-04 4061 0.515E-02 0.172E-01 RMM: 7 -0.350635233194E+03 0.90712E-04 -0.20593E-04 3884 0.437E-02 0.139E-01 RMM: 8 -0.350635112383E+03 0.12081E-03 -0.63866E-05 3439 0.237E-02 0.440E-02 RMM: 9 -0.350635116224E+03 -0.38407E-05 -0.27662E-05 2770 0.153E-02 4183 T= 6723. E= 0.68878389E+03 F= 0.63316352E+03 E0= 0.66304941E+03 EK= 0.55620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350821052298E+03 -0.18594E+00 -0.23522E-01 8916 0.238E+01 0.352E-01 RMM: 2 -0.350838922696E+03 -0.17870E-01 -0.13252E-01 5769 0.723E-01 0.107E+00 RMM: 3 -0.350830064321E+03 0.88584E-02 -0.77377E-03 5506 0.188E-01 0.262E-01 RMM: 4 -0.350830551684E+03 -0.48736E-03 -0.18883E-03 4702 0.108E-01 0.408E-01 RMM: 5 -0.350829505500E+03 0.10462E-02 -0.10444E-03 4605 0.886E-02 0.162E-01 RMM: 6 -0.350829515963E+03 -0.10464E-04 -0.32238E-04 3909 0.456E-02 0.172E-01 RMM: 7 -0.350829417217E+03 0.98747E-04 -0.16519E-04 3879 0.396E-02 0.131E-01 RMM: 8 -0.350829306807E+03 0.11041E-03 -0.58696E-05 3374 0.225E-02 0.370E-02 RMM: 9 -0.350829314098E+03 -0.72910E-05 -0.19707E-05 2549 0.128E-02 4184 T= 6781. E= 0.68866247E+03 F= 0.63256909E+03 E0= 0.66246169E+03 EK= 0.56093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350816555049E+03 0.12752E-01 -0.24143E-01 8916 0.237E+01 0.381E-01 RMM: 2 -0.350832040879E+03 -0.15486E-01 -0.13562E-01 5813 0.736E-01 0.896E-01 RMM: 3 -0.350825635071E+03 0.64058E-02 -0.80907E-03 5425 0.196E-01 0.316E-01 RMM: 4 -0.350826505494E+03 -0.87042E-03 -0.23255E-03 4991 0.120E-01 0.497E-01 RMM: 5 -0.350824991951E+03 0.15135E-02 -0.10845E-03 4608 0.886E-02 0.195E-01 RMM: 6 -0.350824829467E+03 0.16248E-03 -0.29861E-04 3923 0.442E-02 0.125E-01 RMM: 7 -0.350824864043E+03 -0.34576E-04 -0.15463E-04 3884 0.358E-02 0.153E-01 RMM: 8 -0.350824712176E+03 0.15187E-03 -0.69983E-05 3505 0.246E-02 0.365E-02 RMM: 9 -0.350824716412E+03 -0.42363E-05 -0.20913E-05 2579 0.131E-02 4185 T= 6692. E= 0.68752880E+03 F= 0.63217012E+03 E0= 0.66206473E+03 EK= 0.55359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350655415326E+03 0.16930E+00 -0.23053E-01 8832 0.234E+01 0.414E-01 RMM: 2 -0.350671870855E+03 -0.16456E-01 -0.13284E-01 5906 0.733E-01 0.104E+00 RMM: 3 -0.350663799235E+03 0.80716E-02 -0.81286E-03 5387 0.201E-01 0.324E-01 RMM: 4 -0.350665037233E+03 -0.12380E-02 -0.26956E-03 5211 0.128E-01 0.550E-01 RMM: 5 -0.350663067311E+03 0.19699E-02 -0.11569E-03 4608 0.913E-02 0.161E-01 RMM: 6 -0.350662993439E+03 0.73873E-04 -0.25043E-04 3896 0.399E-02 0.132E-01 RMM: 7 -0.350663002307E+03 -0.88684E-05 -0.13462E-04 3880 0.326E-02 4186 T= 6499. E= 0.68568493E+03 F= 0.63192164E+03 E0= 0.66181298E+03 EK= 0.53763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350427816175E+03 0.23518E+00 -0.20687E-01 8844 0.229E+01 0.481E-01 RMM: 2 -0.350444986635E+03 -0.17170E-01 -0.13236E-01 5618 0.773E-01 0.116E+00 RMM: 3 -0.350435712928E+03 0.92737E-02 -0.10914E-02 5380 0.234E-01 0.407E-01 RMM: 4 -0.350437101733E+03 -0.13888E-02 -0.34385E-03 5225 0.143E-01 0.620E-01 RMM: 5 -0.350434730317E+03 0.23714E-02 -0.14217E-03 4612 0.101E-01 0.224E-01 RMM: 6 -0.350434454348E+03 0.27597E-03 -0.28390E-04 3918 0.428E-02 0.113E-01 RMM: 7 -0.350434540582E+03 -0.86234E-04 -0.21111E-04 3899 0.389E-02 0.168E-01 RMM: 8 -0.350434354247E+03 0.18634E-03 -0.11984E-04 3857 0.317E-02 0.448E-02 RMM: 9 -0.350434358193E+03 -0.39457E-05 -0.25394E-05 2777 0.145E-02 4187 T= 6286. E= 0.68373049E+03 F= 0.63173162E+03 E0= 0.66161674E+03 EK= 0.51999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350228509197E+03 0.20585E+00 -0.17805E-01 8808 0.226E+01 0.414E-01 RMM: 2 -0.350245471525E+03 -0.16962E-01 -0.12032E-01 5426 0.753E-01 0.115E+00 RMM: 3 -0.350236078862E+03 0.93927E-02 -0.10608E-02 5399 0.229E-01 0.303E-01 RMM: 4 -0.350237606370E+03 -0.15275E-02 -0.27452E-03 5254 0.126E-01 0.580E-01 RMM: 5 -0.350235463545E+03 0.21428E-02 -0.11400E-03 4602 0.912E-02 0.158E-01 RMM: 6 -0.350235343161E+03 0.12038E-03 -0.22078E-04 3886 0.380E-02 0.955E-02 RMM: 7 -0.350235393853E+03 -0.50692E-04 -0.95493E-05 3744 0.268E-02 0.133E-01 RMM: 8 -0.350235276085E+03 0.11777E-03 -0.53404E-05 3343 0.219E-02 0.324E-02 RMM: 9 -0.350235277017E+03 -0.93230E-06 -0.13430E-05 2506 0.103E-02 4188 T= 6134. E= 0.68225192E+03 F= 0.63150390E+03 E0= 0.66137742E+03 EK= 0.50748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350108461265E+03 0.12681E+00 -0.15054E-01 8592 0.225E+01 0.437E-01 RMM: 2 -0.350123028300E+03 -0.14567E-01 -0.92119E-02 5324 0.663E-01 0.120E+00 RMM: 3 -0.350113292457E+03 0.97358E-02 -0.96616E-03 5372 0.222E-01 0.341E-01 RMM: 4 -0.350114606607E+03 -0.13141E-02 -0.31887E-03 5215 0.138E-01 0.573E-01 RMM: 5 -0.350112673799E+03 0.19328E-02 -0.13651E-03 4609 0.100E-01 0.233E-01 RMM: 6 -0.350112350453E+03 0.32335E-03 -0.27771E-04 3901 0.433E-02 0.907E-02 RMM: 7 -0.350112433223E+03 -0.82770E-04 -0.15265E-04 3890 0.347E-02 0.152E-01 RMM: 8 -0.350112283444E+03 0.14978E-03 -0.72621E-05 3543 0.257E-02 0.452E-02 RMM: 9 -0.350112279391E+03 0.40527E-05 -0.20160E-05 2575 0.132E-02 4189 T= 6095. E= 0.68161925E+03 F= 0.63119447E+03 E0= 0.66105186E+03 EK= 0.50425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350038203532E+03 0.74080E-01 -0.14275E-01 8304 0.227E+01 0.401E-01 RMM: 2 -0.350051352576E+03 -0.13149E-01 -0.72989E-02 5187 0.614E-01 0.120E+00 RMM: 3 -0.350041740981E+03 0.96116E-02 -0.82251E-03 5385 0.209E-01 0.281E-01 RMM: 4 -0.350042987287E+03 -0.12463E-02 -0.25670E-03 5183 0.126E-01 0.534E-01 RMM: 5 -0.350041341403E+03 0.16459E-02 -0.12253E-03 4608 0.960E-02 0.223E-01 RMM: 6 -0.350041063931E+03 0.27747E-03 -0.30515E-04 3907 0.452E-02 0.104E-01 RMM: 7 -0.350041106708E+03 -0.42777E-04 -0.17498E-04 3872 0.395E-02 0.142E-01 RMM: 8 -0.350040977518E+03 0.12919E-03 -0.73453E-05 3539 0.259E-02 0.415E-02 RMM: 9 -0.350040977294E+03 0.22347E-06 -0.17055E-05 2531 0.124E-02 4190 T= 6176. E= 0.68191963E+03 F= 0.63083146E+03 E0= 0.66066821E+03 EK= 0.51088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349937289780E+03 0.10369E+00 -0.14676E-01 8472 0.231E+01 0.380E-01 RMM: 2 -0.349950086727E+03 -0.12797E-01 -0.68275E-02 5318 0.624E-01 0.119E+00 RMM: 3 -0.349940742520E+03 0.93442E-02 -0.78185E-03 5385 0.207E-01 0.295E-01 RMM: 4 -0.349941249000E+03 -0.50648E-03 -0.21151E-03 4925 0.115E-01 0.426E-01 RMM: 5 -0.349940381234E+03 0.86777E-03 -0.13853E-03 4608 0.105E-01 0.259E-01 RMM: 6 -0.349940009128E+03 0.37211E-03 -0.36504E-04 3985 0.497E-02 0.116E-01 RMM: 7 -0.349940044829E+03 -0.35700E-04 -0.23344E-04 3881 0.463E-02 0.153E-01 RMM: 8 -0.349939895168E+03 0.14966E-03 -0.87515E-05 3667 0.284E-02 0.384E-02 RMM: 9 -0.349939900694E+03 -0.55264E-05 -0.21154E-05 2599 0.142E-02 4191 T= 6342. E= 0.68296174E+03 F= 0.63049993E+03 E0= 0.66031017E+03 EK= 0.52462E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349705121741E+03 0.23477E+00 -0.15670E-01 8484 0.236E+01 0.374E-01 RMM: 2 -0.349720934605E+03 -0.15813E-01 -0.82601E-02 5290 0.694E-01 0.127E+00 RMM: 3 -0.349710250110E+03 0.10684E-01 -0.91803E-03 5445 0.215E-01 0.310E-01 RMM: 4 -0.349710154051E+03 0.96059E-04 -0.19110E-03 4827 0.107E-01 0.334E-01 RMM: 5 -0.349709733929E+03 0.42012E-03 -0.15837E-03 4611 0.114E-01 0.260E-01 RMM: 6 -0.349709433697E+03 0.30023E-03 -0.47452E-04 4552 0.569E-02 0.157E-01 RMM: 7 -0.349709423466E+03 0.10231E-04 -0.28214E-04 3910 0.487E-02 0.166E-01 RMM: 8 -0.349709252722E+03 0.17074E-03 -0.11375E-04 3793 0.326E-02 0.549E-02 RMM: 9 -0.349709244350E+03 0.83728E-05 -0.21114E-05 2587 0.140E-02 4192 T= 6530. E= 0.68431909E+03 F= 0.63030186E+03 E0= 0.66007773E+03 EK= 0.54017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349266159542E+03 0.44309E+00 -0.16500E-01 8580 0.240E+01 0.370E-01 RMM: 2 -0.349280709629E+03 -0.14550E-01 -0.89817E-02 5292 0.704E-01 0.116E+00 RMM: 3 -0.349271724963E+03 0.89847E-02 -0.93609E-03 5422 0.214E-01 0.272E-01 RMM: 4 -0.349272294801E+03 -0.56984E-03 -0.19655E-03 4844 0.111E-01 0.437E-01 RMM: 5 -0.349271180220E+03 0.11146E-02 -0.14388E-03 4610 0.107E-01 0.199E-01 RMM: 6 -0.349271162473E+03 0.17748E-04 -0.47566E-04 4405 0.559E-02 0.200E-01 RMM: 7 -0.349271024243E+03 0.13823E-03 -0.27506E-04 3949 0.493E-02 0.152E-01 RMM: 8 -0.349270878444E+03 0.14580E-03 -0.82998E-05 3597 0.274E-02 0.431E-02 RMM: 9 -0.349270887461E+03 -0.90167E-05 -0.28940E-05 2714 0.162E-02 4193 T= 6665. E= 0.68545580E+03 F= 0.63031552E+03 E0= 0.66004776E+03 EK= 0.55140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348592059473E+03 0.67882E+00 -0.16713E-01 8616 0.241E+01 0.357E-01 RMM: 2 -0.348606567059E+03 -0.14508E-01 -0.87793E-02 5292 0.704E-01 0.116E+00 RMM: 3 -0.348597740444E+03 0.88266E-02 -0.92772E-03 5483 0.210E-01 0.295E-01 RMM: 4 -0.348597687446E+03 0.52998E-04 -0.17838E-03 4774 0.104E-01 0.334E-01 RMM: 5 -0.348597182582E+03 0.50486E-03 -0.14285E-03 4611 0.109E-01 0.233E-01 RMM: 6 -0.348596991311E+03 0.19127E-03 -0.38685E-04 4240 0.510E-02 0.163E-01 RMM: 7 -0.348596888385E+03 0.10293E-03 -0.26863E-04 3893 0.507E-02 0.124E-01 RMM: 8 -0.348596796735E+03 0.91650E-04 -0.58350E-05 3366 0.237E-02 0.470E-02 RMM: 9 -0.348596796380E+03 0.35435E-06 -0.20681E-05 2548 0.135E-02 4194 T= 6695. E= 0.68594891E+03 F= 0.63056727E+03 E0= 0.66024503E+03 EK= 0.55382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347718196545E+03 0.87860E+00 -0.16873E-01 8580 0.240E+01 0.371E-01 RMM: 2 -0.347727515464E+03 -0.93189E-02 -0.79126E-02 5265 0.638E-01 0.846E-01 RMM: 3 -0.347722710046E+03 0.48054E-02 -0.75217E-03 5428 0.189E-01 0.293E-01 RMM: 4 -0.347723807440E+03 -0.10974E-02 -0.23112E-03 5022 0.125E-01 0.532E-01 RMM: 5 -0.347722092803E+03 0.17146E-02 -0.11315E-03 4608 0.916E-02 0.177E-01 RMM: 6 -0.347722025720E+03 0.67083E-04 -0.35069E-04 3969 0.482E-02 0.156E-01 RMM: 7 -0.347721973674E+03 0.52047E-04 -0.18459E-04 3881 0.410E-02 0.141E-01 RMM: 8 -0.347721847029E+03 0.12664E-03 -0.71695E-05 3518 0.252E-02 0.411E-02 RMM: 9 -0.347721849585E+03 -0.25561E-05 -0.22073E-05 2597 0.140E-02 4195 T= 6610. E= 0.68569819E+03 F= 0.63101960E+03 E0= 0.66063195E+03 EK= 0.54679E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346729269020E+03 0.99258E+00 -0.16673E-01 8268 0.238E+01 0.378E-01 RMM: 2 -0.346739045995E+03 -0.97770E-02 -0.76303E-02 5215 0.628E-01 0.912E-01 RMM: 3 -0.346733430557E+03 0.56154E-02 -0.72629E-03 5462 0.184E-01 0.280E-01 RMM: 4 -0.346734482695E+03 -0.10521E-02 -0.24925E-03 5081 0.129E-01 0.514E-01 RMM: 5 -0.346732856404E+03 0.16263E-02 -0.11792E-03 4609 0.935E-02 0.174E-01 RMM: 6 -0.346732754940E+03 0.10146E-03 -0.28489E-04 3941 0.434E-02 0.135E-01 RMM: 7 -0.346732719699E+03 0.35241E-04 -0.14854E-04 3872 0.371E-02 0.125E-01 RMM: 8 -0.346732620378E+03 0.99321E-04 -0.55800E-05 3373 0.225E-02 0.395E-02 RMM: 9 -0.346732622403E+03 -0.20257E-05 -0.16441E-05 2527 0.119E-02 4196 T= 6453. E= 0.68496739E+03 F= 0.63158366E+03 E0= 0.66112164E+03 EK= 0.53384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345742299020E+03 0.99032E+00 -0.16379E-01 8124 0.234E+01 0.411E-01 RMM: 2 -0.345753003339E+03 -0.10704E-01 -0.78946E-02 5178 0.637E-01 0.997E-01 RMM: 3 -0.345746193259E+03 0.68101E-02 -0.80867E-03 5389 0.203E-01 0.322E-01 RMM: 4 -0.345747655567E+03 -0.14623E-02 -0.26993E-03 5227 0.130E-01 0.585E-01 RMM: 5 -0.345745551865E+03 0.21037E-02 -0.12387E-03 4608 0.966E-02 0.193E-01 RMM: 6 -0.345745355490E+03 0.19637E-03 -0.27161E-04 3926 0.425E-02 0.104E-01 RMM: 7 -0.345745393313E+03 -0.37822E-04 -0.13281E-04 3869 0.331E-02 0.138E-01 RMM: 8 -0.345745268816E+03 0.12450E-03 -0.61282E-05 3416 0.235E-02 0.382E-02 RMM: 9 -0.345745270903E+03 -0.20872E-05 -0.17526E-05 2535 0.121E-02 4197 T= 6295. E= 0.68422038E+03 F= 0.63214232E+03 E0= 0.66159896E+03 EK= 0.52078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344878094277E+03 0.86717E+00 -0.15747E-01 7944 0.231E+01 0.420E-01 RMM: 2 -0.344888402073E+03 -0.10308E-01 -0.79909E-02 5115 0.654E-01 0.977E-01 RMM: 3 -0.344882113869E+03 0.62882E-02 -0.89065E-03 5421 0.212E-01 0.328E-01 RMM: 4 -0.344883546211E+03 -0.14323E-02 -0.26665E-03 5243 0.129E-01 0.580E-01 RMM: 5 -0.344881467829E+03 0.20784E-02 -0.12096E-03 4614 0.944E-02 0.202E-01 RMM: 6 -0.344881242707E+03 0.22512E-03 -0.26520E-04 3921 0.419E-02 0.981E-02 RMM: 7 -0.344881280361E+03 -0.37654E-04 -0.12436E-04 3861 0.325E-02 0.132E-01 RMM: 8 -0.344881163956E+03 0.11640E-03 -0.54845E-05 3348 0.224E-02 0.367E-02 RMM: 9 -0.344881166964E+03 -0.30077E-05 -0.17861E-05 2530 0.122E-02 4198 T= 6203. E= 0.68389020E+03 F= 0.63257503E+03 E0= 0.66194757E+03 EK= 0.51315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344248593502E+03 0.63257E+00 -0.15695E-01 7848 0.230E+01 0.420E-01 RMM: 2 -0.344260305998E+03 -0.11712E-01 -0.74427E-02 5168 0.641E-01 0.111E+00 RMM: 3 -0.344252104190E+03 0.82018E-02 -0.88047E-03 5371 0.216E-01 0.322E-01 RMM: 4 -0.344253493507E+03 -0.13893E-02 -0.27819E-03 5266 0.131E-01 0.572E-01 RMM: 5 -0.344251572145E+03 0.19214E-02 -0.11999E-03 4608 0.950E-02 0.221E-01 RMM: 6 -0.344251267712E+03 0.30443E-03 -0.26849E-04 3905 0.424E-02 0.845E-02 RMM: 7 -0.344251321627E+03 -0.53915E-04 -0.13067E-04 3871 0.325E-02 0.133E-01 RMM: 8 -0.344251203196E+03 0.11843E-03 -0.59142E-05 3405 0.235E-02 0.350E-02 RMM: 9 -0.344251207853E+03 -0.46565E-05 -0.18724E-05 2549 0.125E-02 4199 T= 6218. E= 0.68421467E+03 F= 0.63277319E+03 E0= 0.66206084E+03 EK= 0.51441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343943151889E+03 0.30805E+00 -0.16098E-01 7584 0.232E+01 0.415E-01 RMM: 2 -0.343957079230E+03 -0.13927E-01 -0.89645E-02 5050 0.717E-01 0.115E+00 RMM: 3 -0.343948235154E+03 0.88441E-02 -0.10529E-02 5429 0.227E-01 0.314E-01 RMM: 4 -0.343949186984E+03 -0.95183E-03 -0.27550E-03 5257 0.130E-01 0.508E-01 RMM: 5 -0.343947686130E+03 0.15009E-02 -0.12069E-03 4611 0.944E-02 0.222E-01 RMM: 6 -0.343947404249E+03 0.28188E-03 -0.30149E-04 3916 0.453E-02 0.103E-01 RMM: 7 -0.343947443405E+03 -0.39157E-04 -0.15138E-04 3878 0.356E-02 0.135E-01 RMM: 8 -0.343947322454E+03 0.12095E-03 -0.68862E-05 3521 0.251E-02 0.441E-02 RMM: 9 -0.343947317770E+03 0.46832E-05 -0.16213E-05 2534 0.119E-02 4200 T= 6348. E= 0.68515935E+03 F= 0.63264761E+03 E0= 0.66185276E+03 EK= 0.52512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344027726486E+03 -0.80404E-01 -0.16898E-01 7644 0.235E+01 0.400E-01 RMM: 2 -0.344041968073E+03 -0.14242E-01 -0.88220E-02 5065 0.717E-01 0.117E+00 RMM: 3 -0.344032879334E+03 0.90887E-02 -0.10607E-02 5395 0.232E-01 0.289E-01 RMM: 4 -0.344034074899E+03 -0.11956E-02 -0.25199E-03 5261 0.125E-01 0.527E-01 RMM: 5 -0.344032438121E+03 0.16368E-02 -0.11586E-03 4609 0.928E-02 0.216E-01 RMM: 6 -0.344032176975E+03 0.26115E-03 -0.30805E-04 3909 0.454E-02 0.104E-01 RMM: 7 -0.344032200459E+03 -0.23484E-04 -0.15850E-04 3882 0.372E-02 0.132E-01 RMM: 8 -0.344032083748E+03 0.11671E-03 -0.66336E-05 3477 0.247E-02 0.347E-02 RMM: 9 -0.344032090886E+03 -0.71379E-05 -0.20985E-05 2602 0.136E-02 4201 T= 6558. E= 0.68639209E+03 F= 0.63213757E+03 E0= 0.66126404E+03 EK= 0.54255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344523431089E+03 -0.49135E+00 -0.17550E-01 7896 0.239E+01 0.373E-01 RMM: 2 -0.344535179508E+03 -0.11748E-01 -0.90611E-02 5057 0.746E-01 0.956E-01 RMM: 3 -0.344529251074E+03 0.59284E-02 -0.10158E-02 5449 0.218E-01 0.292E-01 RMM: 4 -0.344529728090E+03 -0.47702E-03 -0.20793E-03 5012 0.114E-01 0.426E-01 RMM: 5 -0.344528645457E+03 0.10826E-02 -0.12747E-03 4608 0.996E-02 0.179E-01 RMM: 6 -0.344528544589E+03 0.10087E-03 -0.29513E-04 3895 0.447E-02 0.141E-01 RMM: 7 -0.344528479644E+03 0.64945E-04 -0.17692E-04 3874 0.416E-02 0.116E-01 RMM: 8 -0.344528391634E+03 0.88011E-04 -0.56782E-05 3350 0.227E-02 0.366E-02 RMM: 9 -0.344528396854E+03 -0.52200E-05 -0.16148E-05 2532 0.119E-02 4202 T= 6781. E= 0.68731719E+03 F= 0.63122010E+03 E0= 0.66027354E+03 EK= 0.56097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345408477851E+03 -0.88009E+00 -0.18224E-01 7968 0.242E+01 0.379E-01 RMM: 2 -0.345421044349E+03 -0.12566E-01 -0.86046E-02 5136 0.725E-01 0.107E+00 RMM: 3 -0.345413679443E+03 0.73649E-02 -0.97180E-03 5406 0.217E-01 0.268E-01 RMM: 4 -0.345414529202E+03 -0.84976E-03 -0.21970E-03 5127 0.118E-01 0.471E-01 RMM: 5 -0.345413231912E+03 0.12973E-02 -0.12883E-03 4608 0.996E-02 0.203E-01 RMM: 6 -0.345413040507E+03 0.19140E-03 -0.34143E-04 3920 0.480E-02 0.128E-01 RMM: 7 -0.345413014656E+03 0.25851E-04 -0.19141E-04 3879 0.424E-02 0.129E-01 RMM: 8 -0.345412906304E+03 0.10835E-03 -0.64317E-05 3452 0.244E-02 0.388E-02 RMM: 9 -0.345412912060E+03 -0.57556E-05 -0.20365E-05 2564 0.134E-02 4203 T= 6929. E= 0.68723663E+03 F= 0.62991598E+03 E0= 0.65890296E+03 EK= 0.57321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346609288506E+03 -0.11964E+01 -0.18566E-01 8004 0.244E+01 0.367E-01 RMM: 2 -0.346619928622E+03 -0.10640E-01 -0.84033E-02 5123 0.713E-01 0.915E-01 RMM: 3 -0.346614471045E+03 0.54576E-02 -0.86793E-03 5465 0.195E-01 0.269E-01 RMM: 4 -0.346615166306E+03 -0.69526E-03 -0.23770E-03 5081 0.127E-01 0.454E-01 RMM: 5 -0.346613912644E+03 0.12537E-02 -0.13427E-03 4610 0.101E-01 0.175E-01 RMM: 6 -0.346613845806E+03 0.66838E-04 -0.33986E-04 3924 0.482E-02 0.157E-01 RMM: 7 -0.346613751193E+03 0.94613E-04 -0.19255E-04 3871 0.441E-02 0.118E-01 RMM: 8 -0.346613660576E+03 0.90617E-04 -0.49642E-05 3260 0.214E-02 0.373E-02 RMM: 9 -0.346613667882E+03 -0.73059E-05 -0.20996E-05 2569 0.136E-02 4204 T= 6935. E= 0.68566324E+03 F= 0.62829251E+03 E0= 0.65722183E+03 EK= 0.57371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348023759653E+03 -0.14101E+01 -0.18310E-01 7980 0.243E+01 0.389E-01 RMM: 2 -0.348036381871E+03 -0.12622E-01 -0.81481E-02 5117 0.703E-01 0.111E+00 RMM: 3 -0.348028392209E+03 0.79897E-02 -0.92844E-03 5383 0.215E-01 0.285E-01 RMM: 4 -0.348029412176E+03 -0.10200E-02 -0.25593E-03 5251 0.129E-01 0.506E-01 RMM: 5 -0.348027934167E+03 0.14780E-02 -0.13394E-03 4614 0.101E-01 0.216E-01 RMM: 6 -0.348027692076E+03 0.24209E-03 -0.34097E-04 3936 0.479E-02 0.122E-01 RMM: 7 -0.348027652666E+03 0.39410E-04 -0.20343E-04 3880 0.440E-02 0.118E-01 RMM: 8 -0.348027564542E+03 0.88124E-04 -0.61440E-05 3416 0.240E-02 0.380E-02 RMM: 9 -0.348027574103E+03 -0.95607E-05 -0.20290E-05 2554 0.135E-02 4205 T= 6789. E= 0.68261273E+03 F= 0.62644709E+03 E0= 0.65532757E+03 EK= 0.56166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349543122139E+03 -0.15156E+01 -0.17694E-01 7824 0.240E+01 0.397E-01 RMM: 2 -0.349550922697E+03 -0.78006E-02 -0.71066E-02 5121 0.658E-01 0.824E-01 RMM: 3 -0.349546732247E+03 0.41904E-02 -0.76150E-03 5428 0.191E-01 0.297E-01 RMM: 4 -0.349548062699E+03 -0.13305E-02 -0.26429E-03 5141 0.134E-01 0.564E-01 RMM: 5 -0.349546061890E+03 0.20008E-02 -0.13483E-03 4613 0.100E-01 0.165E-01 RMM: 6 -0.349546002728E+03 0.59162E-04 -0.36277E-04 3973 0.495E-02 0.150E-01 RMM: 7 -0.349545913728E+03 0.89000E-04 -0.16315E-04 3865 0.405E-02 0.111E-01 RMM: 8 -0.349545834179E+03 0.79549E-04 -0.40692E-05 3114 0.196E-02 0.376E-02 RMM: 9 -0.349545843735E+03 -0.95565E-05 -0.22117E-05 2585 0.137E-02 4206 T= 6545. E= 0.67862714E+03 F= 0.62448327E+03 E0= 0.65332477E+03 EK= 0.54144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351070318437E+03 -0.15245E+01 -0.16905E-01 7920 0.235E+01 0.418E-01 RMM: 2 -0.351078920296E+03 -0.86019E-02 -0.68859E-02 5074 0.639E-01 0.929E-01 RMM: 3 -0.351073443551E+03 0.54767E-02 -0.79786E-03 5395 0.199E-01 0.315E-01 RMM: 4 -0.351074873902E+03 -0.14304E-02 -0.28840E-03 5191 0.140E-01 0.583E-01 RMM: 5 -0.351072737463E+03 0.21364E-02 -0.12960E-03 4608 0.983E-02 0.174E-01 RMM: 6 -0.351072627681E+03 0.10978E-03 -0.30252E-04 3915 0.448E-02 0.133E-01 RMM: 7 -0.351072539495E+03 0.88185E-04 -0.16061E-04 3875 0.399E-02 0.940E-02 RMM: 8 -0.351072485192E+03 0.54304E-04 -0.38996E-05 3111 0.194E-02 0.378E-02 RMM: 9 -0.351072496925E+03 -0.11734E-04 -0.20669E-05 2552 0.132E-02 4207 T= 6287. E= 0.67450254E+03 F= 0.62249369E+03 E0= 0.65130574E+03 EK= 0.52009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352534942250E+03 -0.14625E+01 -0.16414E-01 7956 0.232E+01 0.430E-01 RMM: 2 -0.352541443971E+03 -0.65017E-02 -0.67135E-02 5007 0.634E-01 0.781E-01 RMM: 3 -0.352537819697E+03 0.36243E-02 -0.77090E-03 5407 0.195E-01 0.339E-01 RMM: 4 -0.352539321863E+03 -0.15022E-02 -0.28090E-03 5160 0.138E-01 0.612E-01 RMM: 5 -0.352536878523E+03 0.24433E-02 -0.13873E-03 4615 0.101E-01 0.139E-01 RMM: 6 -0.352536899291E+03 -0.20767E-04 -0.34896E-04 3989 0.485E-02 0.161E-01 RMM: 7 -0.352536770325E+03 0.12897E-03 -0.14418E-04 3864 0.379E-02 0.998E-02 RMM: 8 -0.352536706507E+03 0.63819E-04 -0.34259E-05 3000 0.179E-02 0.372E-02 RMM: 9 -0.352536716582E+03 -0.10076E-04 -0.23719E-05 2601 0.141E-02 4208 T= 6093. E= 0.67095346E+03 F= 0.62054870E+03 E0= 0.64934050E+03 EK= 0.50405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353886496611E+03 -0.13498E+01 -0.16042E-01 7944 0.230E+01 0.433E-01 RMM: 2 -0.353892855575E+03 -0.63590E-02 -0.60541E-02 5073 0.596E-01 0.824E-01 RMM: 3 -0.353888795955E+03 0.40596E-02 -0.71294E-03 5413 0.187E-01 0.353E-01 RMM: 4 -0.353889900090E+03 -0.11041E-02 -0.28763E-03 5109 0.143E-01 0.570E-01 RMM: 5 -0.353887831549E+03 0.20685E-02 -0.11973E-03 4606 0.938E-02 0.147E-01 RMM: 6 -0.353887838971E+03 -0.74221E-05 -0.30820E-04 3918 0.453E-02 0.162E-01 RMM: 7 -0.353887671924E+03 0.16705E-03 -0.15872E-04 3875 0.401E-02 0.756E-02 RMM: 8 -0.353887641650E+03 0.30275E-04 -0.28975E-05 2906 0.168E-02 0.429E-02 RMM: 9 -0.353887651612E+03 -0.99625E-05 -0.21634E-05 2556 0.135E-02 4209 T= 6011. E= 0.66842825E+03 F= 0.61870171E+03 E0= 0.64748099E+03 EK= 0.49727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355080829618E+03 -0.11932E+01 -0.16198E-01 7824 0.229E+01 0.430E-01 RMM: 2 -0.355086410000E+03 -0.55804E-02 -0.63053E-02 5041 0.607E-01 0.728E-01 RMM: 3 -0.355083452798E+03 0.29572E-02 -0.73315E-03 5436 0.186E-01 0.352E-01 RMM: 4 -0.355084779352E+03 -0.13266E-02 -0.28322E-03 5105 0.141E-01 0.604E-01 RMM: 5 -0.355082400985E+03 0.23784E-02 -0.13510E-03 4609 0.996E-02 0.131E-01 RMM: 6 -0.355082474529E+03 -0.73544E-04 -0.37165E-04 4091 0.505E-02 0.180E-01 RMM: 7 -0.355082292712E+03 0.18182E-03 -0.16389E-04 3872 0.400E-02 0.919E-02 RMM: 8 -0.355082240517E+03 0.52196E-04 -0.30523E-05 2880 0.171E-02 0.388E-02 RMM: 9 -0.355082244078E+03 -0.35614E-05 -0.25894E-05 2569 0.148E-02 4210 T= 6053. E= 0.66707640E+03 F= 0.61700055E+03 E0= 0.64577487E+03 EK= 0.50076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356072511484E+03 -0.99027E+00 -0.16283E-01 8028 0.231E+01 0.421E-01 RMM: 2 -0.356078345196E+03 -0.58337E-02 -0.60170E-02 5125 0.586E-01 0.764E-01 RMM: 3 -0.356074917096E+03 0.34281E-02 -0.67794E-03 5477 0.177E-01 0.338E-01 RMM: 4 -0.356075790308E+03 -0.87321E-03 -0.29399E-03 5018 0.147E-01 0.539E-01 RMM: 5 -0.356073945380E+03 0.18449E-02 -0.12124E-03 4609 0.938E-02 0.134E-01 RMM: 6 -0.356074046262E+03 -0.10088E-03 -0.33221E-04 3947 0.481E-02 0.191E-01 RMM: 7 -0.356073804701E+03 0.24156E-03 -0.18213E-04 3878 0.425E-02 0.723E-02 RMM: 8 -0.356073778788E+03 0.25913E-04 -0.29807E-05 2917 0.169E-02 0.460E-02 RMM: 9 -0.356073785143E+03 -0.63543E-05 -0.23962E-05 2562 0.144E-02 4211 T= 6198. E= 0.66677488E+03 F= 0.61549730E+03 E0= 0.64427265E+03 EK= 0.51278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356806353376E+03 -0.73257E+00 -0.16545E-01 8184 0.234E+01 0.416E-01 RMM: 2 -0.356812000048E+03 -0.56467E-02 -0.62920E-02 5108 0.601E-01 0.712E-01 RMM: 3 -0.356809091584E+03 0.29085E-02 -0.70001E-03 5480 0.180E-01 0.334E-01 RMM: 4 -0.356810304668E+03 -0.12131E-02 -0.28169E-03 5051 0.143E-01 0.582E-01 RMM: 5 -0.356808113118E+03 0.21916E-02 -0.13054E-03 4611 0.979E-02 0.135E-01 RMM: 6 -0.356808195652E+03 -0.82535E-04 -0.41312E-04 4242 0.540E-02 0.189E-01 RMM: 7 -0.356807995241E+03 0.20041E-03 -0.18546E-04 3875 0.418E-02 0.947E-02 RMM: 8 -0.356807940303E+03 0.54939E-04 -0.32660E-05 2941 0.178E-02 0.402E-02 RMM: 9 -0.356807942012E+03 -0.17095E-05 -0.29426E-05 2600 0.159E-02 4212 T= 6396. E= 0.66716336E+03 F= 0.61425066E+03 E0= 0.64303333E+03 EK= 0.52913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357227803757E+03 -0.41986E+00 -0.17254E-01 8100 0.237E+01 0.407E-01 RMM: 2 -0.357233650185E+03 -0.58464E-02 -0.63886E-02 5116 0.602E-01 0.708E-01 RMM: 3 -0.357230770656E+03 0.28795E-02 -0.69915E-03 5546 0.176E-01 0.335E-01 RMM: 4 -0.357231504564E+03 -0.73391E-03 -0.30399E-03 4974 0.152E-01 0.525E-01 RMM: 5 -0.357229766328E+03 0.17382E-02 -0.12541E-03 4608 0.954E-02 0.127E-01 RMM: 6 -0.357229926815E+03 -0.16049E-03 -0.34753E-04 4013 0.506E-02 0.211E-01 RMM: 7 -0.357229625529E+03 0.30129E-03 -0.19345E-04 3876 0.434E-02 0.638E-02 RMM: 8 -0.357229610997E+03 0.14533E-04 -0.28324E-05 2855 0.166E-02 4213 T= 6576. E= 0.66771611E+03 F= 0.61331781E+03 E0= 0.64211162E+03 EK= 0.54398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357288176419E+03 -0.58551E-01 -0.17757E-01 8040 0.239E+01 0.461E-01 RMM: 2 -0.357298126659E+03 -0.99502E-02 -0.68630E-02 5140 0.613E-01 0.107E+00 RMM: 3 -0.357290701280E+03 0.74254E-02 -0.86495E-03 5393 0.216E-01 0.377E-01 RMM: 4 -0.357291964221E+03 -0.12629E-02 -0.33696E-03 5214 0.147E-01 0.597E-01 RMM: 5 -0.357289794257E+03 0.21700E-02 -0.18366E-03 4655 0.120E-01 0.228E-01 RMM: 6 -0.357289530326E+03 0.26393E-03 -0.36367E-04 4085 0.497E-02 0.131E-01 RMM: 7 -0.357289480065E+03 0.50261E-04 -0.20733E-04 3882 0.445E-02 0.122E-01 RMM: 8 -0.357289387833E+03 0.92233E-04 -0.59325E-05 3379 0.237E-02 0.445E-02 RMM: 9 -0.357289401281E+03 -0.13448E-04 -0.27068E-05 2717 0.152E-02 4214 T= 6668. E= 0.66791231E+03 F= 0.61274767E+03 E0= 0.64155664E+03 EK= 0.55165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356962129777E+03 0.32726E+00 -0.17864E-01 8040 0.239E+01 0.437E-01 RMM: 2 -0.356974612699E+03 -0.12483E-01 -0.70011E-02 5087 0.621E-01 0.120E+00 RMM: 3 -0.356964869205E+03 0.97435E-02 -0.88078E-03 5400 0.218E-01 0.306E-01 RMM: 4 -0.356966412908E+03 -0.15437E-02 -0.31380E-03 5192 0.142E-01 0.597E-01 RMM: 5 -0.356964193103E+03 0.22198E-02 -0.16814E-03 4654 0.114E-01 0.201E-01 RMM: 6 -0.356964056030E+03 0.13707E-03 -0.42680E-04 4387 0.541E-02 0.154E-01 RMM: 7 -0.356963970509E+03 0.85521E-04 -0.20347E-04 3872 0.436E-02 0.124E-01 RMM: 8 -0.356963870596E+03 0.99913E-04 -0.55164E-05 3360 0.229E-02 0.387E-02 RMM: 9 -0.356963879703E+03 -0.91066E-05 -0.20902E-05 2570 0.134E-02 4215 T= 6637. E= 0.66746667E+03 F= 0.61256140E+03 E0= 0.64138727E+03 EK= 0.54905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356261270745E+03 0.70260E+00 -0.17822E-01 8184 0.237E+01 0.473E-01 RMM: 2 -0.356270833117E+03 -0.95624E-02 -0.75976E-02 5075 0.624E-01 0.100E+00 RMM: 3 -0.356264070659E+03 0.67625E-02 -0.89147E-03 5397 0.216E-01 0.379E-01 RMM: 4 -0.356265773894E+03 -0.17032E-02 -0.34877E-03 5193 0.151E-01 0.657E-01 RMM: 5 -0.356263067635E+03 0.27063E-02 -0.16572E-03 4614 0.112E-01 0.194E-01 RMM: 6 -0.356262897787E+03 0.16985E-03 -0.32680E-04 3989 0.465E-02 0.128E-01 RMM: 7 -0.356262816984E+03 0.80803E-04 -0.14784E-04 3869 0.385E-02 0.944E-02 RMM: 8 -0.356262763774E+03 0.53210E-04 -0.36406E-05 3073 0.188E-02 0.413E-02 RMM: 9 -0.356262781281E+03 -0.17507E-04 -0.24630E-05 2605 0.142E-02 4216 T= 6496. E= 0.66648418E+03 F= 0.61274652E+03 E0= 0.64158791E+03 EK= 0.53738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355228515060E+03 0.10342E+01 -0.17188E-01 8316 0.234E+01 0.469E-01 RMM: 2 -0.355234617267E+03 -0.61022E-02 -0.83195E-02 5093 0.649E-01 0.662E-01 RMM: 3 -0.355232556307E+03 0.20610E-02 -0.95839E-03 5418 0.216E-01 0.485E-01 RMM: 4 -0.355233366873E+03 -0.81057E-03 -0.27679E-03 5230 0.135E-01 0.620E-01 RMM: 5 -0.355230828189E+03 0.25387E-02 -0.13618E-03 4617 0.995E-02 0.140E-01 RMM: 6 -0.355230833178E+03 -0.49889E-05 -0.30879E-04 3928 0.451E-02 0.155E-01 RMM: 7 -0.355230726024E+03 0.10715E-03 -0.13639E-04 3869 0.362E-02 0.106E-01 RMM: 8 -0.355230653494E+03 0.72530E-04 -0.44623E-05 3208 0.199E-02 0.375E-02 RMM: 9 -0.355230667354E+03 -0.13860E-04 -0.23962E-05 2622 0.142E-02 4217 T= 6303. E= 0.66539567E+03 F= 0.61325692E+03 E0= 0.64211075E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353930074000E+03 0.13006E+01 -0.16850E-01 7908 0.230E+01 0.488E-01 RMM: 2 -0.353937418954E+03 -0.73450E-02 -0.84291E-02 5106 0.648E-01 0.790E-01 RMM: 3 -0.353933630215E+03 0.37887E-02 -0.92249E-03 5428 0.210E-01 0.449E-01 RMM: 4 -0.353934723848E+03 -0.10936E-02 -0.30660E-03 5191 0.142E-01 0.639E-01 RMM: 5 -0.353932095837E+03 0.26280E-02 -0.14896E-03 4613 0.104E-01 0.145E-01 RMM: 6 -0.353932083856E+03 0.11981E-04 -0.28481E-04 3922 0.430E-02 0.149E-01 RMM: 7 -0.353931985001E+03 0.98855E-04 -0.12691E-04 3866 0.344E-02 0.106E-01 RMM: 8 -0.353931913746E+03 0.71255E-04 -0.47095E-05 3251 0.204E-02 0.385E-02 RMM: 9 -0.353931928014E+03 -0.14268E-04 -0.23665E-05 2616 0.140E-02 4218 T= 6130. E= 0.66474217E+03 F= 0.61402896E+03 E0= 0.64289183E+03 EK= 0.50713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352433607807E+03 0.14983E+01 -0.16156E-01 8028 0.228E+01 0.487E-01 RMM: 2 -0.352438911426E+03 -0.53036E-02 -0.74636E-02 5205 0.610E-01 0.706E-01 RMM: 3 -0.352436603955E+03 0.23075E-02 -0.83171E-03 5400 0.206E-01 0.504E-01 RMM: 4 -0.352437378616E+03 -0.77466E-03 -0.27642E-03 5183 0.134E-01 0.628E-01 RMM: 5 -0.352434777586E+03 0.26010E-02 -0.13738E-03 4611 0.100E-01 0.150E-01 RMM: 6 -0.352434732647E+03 0.44940E-04 -0.30987E-04 3948 0.449E-02 0.140E-01 RMM: 7 -0.352434665688E+03 0.66959E-04 -0.12009E-04 3869 0.337E-02 0.114E-01 RMM: 8 -0.352434580299E+03 0.85389E-04 -0.44959E-05 3217 0.199E-02 0.360E-02 RMM: 9 -0.352434594427E+03 -0.14128E-04 -0.24940E-05 2704 0.143E-02 4219 T= 6040. E= 0.66496203E+03 F= 0.61499800E+03 E0= 0.64386567E+03 EK= 0.49964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350798403286E+03 0.16362E+01 -0.15929E-01 7872 0.227E+01 0.480E-01 RMM: 2 -0.350806069665E+03 -0.76664E-02 -0.71522E-02 5209 0.603E-01 0.912E-01 RMM: 3 -0.350800679383E+03 0.53903E-02 -0.80342E-03 5414 0.201E-01 0.396E-01 RMM: 4 -0.350802220659E+03 -0.15413E-02 -0.32058E-03 5089 0.145E-01 0.650E-01 RMM: 5 -0.350799546031E+03 0.26746E-02 -0.14993E-03 4609 0.105E-01 0.171E-01 RMM: 6 -0.350799430045E+03 0.11599E-03 -0.28073E-04 3914 0.425E-02 0.124E-01 RMM: 7 -0.350799376392E+03 0.53653E-04 -0.12414E-04 3880 0.338E-02 0.106E-01 RMM: 8 -0.350799304404E+03 0.71989E-04 -0.47182E-05 3261 0.205E-02 0.382E-02 RMM: 9 -0.350799317638E+03 -0.13234E-04 -0.22517E-05 2601 0.136E-02 4220 T= 6064. E= 0.66627777E+03 F= 0.61610873E+03 E0= 0.64497665E+03 EK= 0.50169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349072827704E+03 0.17265E+01 -0.15902E-01 8088 0.229E+01 0.467E-01 RMM: 2 -0.349080671777E+03 -0.78441E-02 -0.75736E-02 5196 0.628E-01 0.901E-01 RMM: 3 -0.349075724459E+03 0.49473E-02 -0.87078E-03 5435 0.207E-01 0.377E-01 RMM: 4 -0.349077411297E+03 -0.16868E-02 -0.29613E-03 5151 0.137E-01 0.649E-01 RMM: 5 -0.349074683247E+03 0.27280E-02 -0.14466E-03 4609 0.103E-01 0.177E-01 RMM: 6 -0.349074563631E+03 0.11962E-03 -0.33539E-04 3968 0.467E-02 0.130E-01 RMM: 7 -0.349074544341E+03 0.19290E-04 -0.13225E-04 3875 0.347E-02 4221 T= 6206. E= 0.66865493E+03 F= 0.61731839E+03 E0= 0.64618282E+03 EK= 0.51337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347295527048E+03 0.17790E+01 -0.16276E-01 7968 0.232E+01 0.487E-01 RMM: 2 -0.347303884799E+03 -0.83578E-02 -0.78824E-02 5131 0.650E-01 0.912E-01 RMM: 3 -0.347298718277E+03 0.51665E-02 -0.87587E-03 5450 0.206E-01 0.388E-01 RMM: 4 -0.347300581252E+03 -0.18630E-02 -0.35560E-03 5079 0.152E-01 0.693E-01 RMM: 5 -0.347297515154E+03 0.30661E-02 -0.18874E-03 4612 0.117E-01 0.162E-01 RMM: 6 -0.347297529367E+03 -0.14213E-04 -0.35308E-04 4041 0.481E-02 0.180E-01 RMM: 7 -0.347297366046E+03 0.16332E-03 -0.18023E-04 3883 0.416E-02 0.113E-01 RMM: 8 -0.347297289388E+03 0.76657E-04 -0.54119E-05 3321 0.220E-02 0.475E-02 RMM: 9 -0.347297307778E+03 -0.18389E-04 -0.36004E-05 2945 0.169E-02 4222 T= 6429. E= 0.67177865E+03 F= 0.61859429E+03 E0= 0.64745397E+03 EK= 0.53184E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345495528745E+03 0.18018E+01 -0.16852E-01 7992 0.237E+01 0.370E-01 RMM: 2 -0.345504150377E+03 -0.86216E-02 -0.81074E-02 5128 0.656E-01 0.789E-01 RMM: 3 -0.345500123693E+03 0.40267E-02 -0.84817E-03 5523 0.192E-01 0.292E-01 RMM: 4 -0.345501189276E+03 -0.10656E-02 -0.22834E-03 5024 0.122E-01 0.524E-01 RMM: 5 -0.345499502452E+03 0.16868E-02 -0.11034E-03 4608 0.906E-02 0.174E-01 RMM: 6 -0.345499362934E+03 0.13952E-03 -0.30906E-04 3915 0.456E-02 0.108E-01 RMM: 7 -0.345499345296E+03 0.17638E-04 -0.11042E-04 3816 0.333E-02 4223 T= 6668. E= 0.67506653E+03 F= 0.61990630E+03 E0= 0.64875856E+03 EK= 0.55160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343713158676E+03 0.17862E+01 -0.17392E-01 7848 0.240E+01 0.475E-01 RMM: 2 -0.343720981507E+03 -0.78228E-02 -0.81996E-02 5195 0.678E-01 0.850E-01 RMM: 3 -0.343716753183E+03 0.42283E-02 -0.86657E-03 5451 0.204E-01 0.379E-01 RMM: 4 -0.343718434408E+03 -0.16812E-02 -0.32946E-03 5144 0.148E-01 0.666E-01 RMM: 5 -0.343715526417E+03 0.29080E-02 -0.18176E-03 4614 0.115E-01 0.155E-01 RMM: 6 -0.343715599352E+03 -0.72935E-04 -0.40776E-04 4200 0.524E-02 0.199E-01 RMM: 7 -0.343715411836E+03 0.18752E-03 -0.19746E-04 3882 0.423E-02 0.129E-01 RMM: 8 -0.343715307767E+03 0.10407E-03 -0.71202E-05 3489 0.247E-02 0.480E-02 RMM: 9 -0.343715328124E+03 -0.20357E-04 -0.39153E-05 3048 0.176E-02 0.811E-02 RMM: 10 -0.343715284471E+03 0.43653E-04 -0.25628E-05 2671 0.163E-02 0.296E-02 RMM: 11 -0.343715278622E+03 0.58495E-05 -0.61940E-06 2445 0.739E-03 4224 T= 6839. E= 0.67779404E+03 F= 0.62121830E+03 E0= 0.65006447E+03 EK= 0.56576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341984922968E+03 0.17304E+01 -0.17792E-01 7788 0.242E+01 0.363E-01 RMM: 2 -0.341995021638E+03 -0.10099E-01 -0.98987E-02 5069 0.728E-01 0.756E-01 RMM: 3 -0.341991352184E+03 0.36695E-02 -0.10335E-02 5661 0.199E-01 0.276E-01 RMM: 4 -0.341992200011E+03 -0.84783E-03 -0.21710E-03 5022 0.121E-01 0.497E-01 RMM: 5 -0.341990675032E+03 0.15250E-02 -0.11041E-03 4608 0.907E-02 0.172E-01 RMM: 6 -0.341990605630E+03 0.69402E-04 -0.35534E-04 4024 0.486E-02 0.146E-01 RMM: 7 -0.341990496619E+03 0.10901E-03 -0.13740E-04 3847 0.372E-02 0.809E-02 RMM: 8 -0.341990455885E+03 0.40734E-04 -0.20662E-05 2645 0.146E-02 0.313E-02 RMM: 9 -0.341990457931E+03 -0.20458E-05 -0.13472E-05 2483 0.105E-02 4225 T= 6877. E= 0.67937040E+03 F= 0.62248100E+03 E0= 0.65131995E+03 EK= 0.56889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340374817291E+03 0.16156E+01 -0.17941E-01 7680 0.242E+01 0.429E-01 RMM: 2 -0.340382756666E+03 -0.79394E-02 -0.87262E-02 5136 0.690E-01 0.735E-01 RMM: 3 -0.340379606127E+03 0.31505E-02 -0.91799E-03 5447 0.207E-01 0.354E-01 RMM: 4 -0.340380863338E+03 -0.12572E-02 -0.23354E-03 5139 0.122E-01 0.589E-01 RMM: 5 -0.340378569180E+03 0.22942E-02 -0.12931E-03 4612 0.975E-02 0.143E-01 RMM: 6 -0.340378579410E+03 -0.10230E-04 -0.36354E-04 4027 0.492E-02 0.160E-01 RMM: 7 -0.340378464836E+03 0.11457E-03 -0.13740E-04 3868 0.359E-02 0.106E-01 RMM: 8 -0.340378391250E+03 0.73586E-04 -0.38652E-05 3089 0.189E-02 0.386E-02 RMM: 9 -0.340378404853E+03 -0.13603E-04 -0.25376E-05 2689 0.144E-02 4226 T= 6769. E= 0.67963537E+03 F= 0.62363583E+03 E0= 0.65246854E+03 EK= 0.56000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338926625552E+03 0.14518E+01 -0.18164E-01 7692 0.239E+01 0.416E-01 RMM: 2 -0.338935589008E+03 -0.89635E-02 -0.93848E-02 5106 0.709E-01 0.742E-01 RMM: 3 -0.338932120548E+03 0.34685E-02 -0.97333E-03 5529 0.205E-01 0.344E-01 RMM: 4 -0.338933181090E+03 -0.10605E-02 -0.24971E-03 5192 0.128E-01 0.561E-01 RMM: 5 -0.338931162875E+03 0.20182E-02 -0.13144E-03 4613 0.990E-02 0.173E-01 RMM: 6 -0.338931101565E+03 0.61310E-04 -0.34785E-04 4050 0.477E-02 0.153E-01 RMM: 7 -0.338931021445E+03 0.80121E-04 -0.14393E-04 3870 0.368E-02 0.115E-01 RMM: 8 -0.338930934600E+03 0.86845E-04 -0.42521E-05 3186 0.198E-02 0.369E-02 RMM: 9 -0.338930943101E+03 -0.85013E-05 -0.21061E-05 2581 0.131E-02 4227 T= 6565. E= 0.67893353E+03 F= 0.62462643E+03 E0= 0.65345292E+03 EK= 0.54307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337677494744E+03 0.12534E+01 -0.17481E-01 7920 0.235E+01 0.428E-01 RMM: 2 -0.337686141964E+03 -0.86472E-02 -0.89630E-02 5164 0.677E-01 0.764E-01 RMM: 3 -0.337682376371E+03 0.37656E-02 -0.92183E-03 5503 0.206E-01 0.365E-01 RMM: 4 -0.337683481326E+03 -0.11050E-02 -0.25745E-03 5200 0.129E-01 0.569E-01 RMM: 5 -0.337681347262E+03 0.21341E-02 -0.12998E-03 4614 0.980E-02 0.163E-01 RMM: 6 -0.337681280448E+03 0.66814E-04 -0.30749E-04 3920 0.453E-02 0.138E-01 RMM: 7 -0.337681229258E+03 0.51190E-04 -0.12790E-04 3882 0.343E-02 0.120E-01 RMM: 8 -0.337681134348E+03 0.94910E-04 -0.48716E-05 3285 0.208E-02 0.350E-02 RMM: 9 -0.337681145063E+03 -0.10714E-04 -0.23193E-05 2644 0.137E-02 4228 T= 6345. E= 0.67790444E+03 F= 0.62541712E+03 E0= 0.65423701E+03 EK= 0.52487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336626569041E+03 0.10546E+01 -0.17752E-01 8160 0.233E+01 0.417E-01 RMM: 2 -0.336635849753E+03 -0.92807E-02 -0.99904E-02 5118 0.703E-01 0.713E-01 RMM: 3 -0.336632516077E+03 0.33337E-02 -0.10057E-02 5526 0.209E-01 0.353E-01 RMM: 4 -0.336633303847E+03 -0.78777E-03 -0.25436E-03 5216 0.129E-01 0.531E-01 RMM: 5 -0.336631450726E+03 0.18531E-02 -0.12714E-03 4612 0.964E-02 0.135E-01 RMM: 6 -0.336631515637E+03 -0.64911E-04 -0.29659E-04 3911 0.445E-02 0.174E-01 RMM: 7 -0.336631376444E+03 0.13919E-03 -0.13173E-04 3874 0.355E-02 0.109E-01 RMM: 8 -0.336631297701E+03 0.78743E-04 -0.45699E-05 3241 0.198E-02 0.350E-02 RMM: 9 -0.336631308171E+03 -0.10470E-04 -0.23645E-05 2607 0.140E-02 4229 T= 6185. E= 0.67717385E+03 F= 0.62600556E+03 E0= 0.65481778E+03 EK= 0.51168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335743392271E+03 0.88791E+00 -0.18158E-01 8580 0.232E+01 0.403E-01 RMM: 2 -0.335752609406E+03 -0.92171E-02 -0.94937E-02 5261 0.667E-01 0.728E-01 RMM: 3 -0.335748875695E+03 0.37337E-02 -0.85041E-03 5537 0.195E-01 0.351E-01 RMM: 4 -0.335749784381E+03 -0.90869E-03 -0.24812E-03 5172 0.128E-01 0.536E-01 RMM: 5 -0.335747923935E+03 0.18604E-02 -0.12735E-03 4610 0.976E-02 0.165E-01 RMM: 6 -0.335747858900E+03 0.65035E-04 -0.30013E-04 3932 0.450E-02 0.142E-01 RMM: 7 -0.335747805447E+03 0.53453E-04 -0.15034E-04 3877 0.375E-02 0.123E-01 RMM: 8 -0.335747705144E+03 0.10030E-03 -0.53197E-05 3347 0.219E-02 0.357E-02 RMM: 9 -0.335747715542E+03 -0.10398E-04 -0.21887E-05 2574 0.135E-02 4230 T= 6132. E= 0.67715346E+03 F= 0.62642774E+03 E0= 0.65523037E+03 EK= 0.50726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334956651050E+03 0.79105E+00 -0.19045E-01 8592 0.233E+01 0.389E-01 RMM: 2 -0.334967148842E+03 -0.10498E-01 -0.10955E-01 5230 0.709E-01 0.683E-01 RMM: 3 -0.334963556450E+03 0.35924E-02 -0.96835E-03 5582 0.202E-01 0.322E-01 RMM: 4 -0.334964293254E+03 -0.73680E-03 -0.23699E-03 5183 0.127E-01 0.506E-01 RMM: 5 -0.334962651461E+03 0.16418E-02 -0.11466E-03 4608 0.916E-02 0.154E-01 RMM: 6 -0.334962653791E+03 -0.23299E-05 -0.35350E-04 4027 0.491E-02 0.163E-01 RMM: 7 -0.334962550710E+03 0.10308E-03 -0.16420E-04 3874 0.398E-02 0.118E-01 RMM: 8 -0.334962457968E+03 0.92742E-04 -0.47332E-05 3265 0.206E-02 0.364E-02 RMM: 9 -0.334962467234E+03 -0.92663E-05 -0.24502E-05 2586 0.144E-02 4231 T= 6192. E= 0.67797792E+03 F= 0.62675517E+03 E0= 0.65554642E+03 EK= 0.51223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334181498932E+03 0.78096E+00 -0.19424E-01 8724 0.236E+01 0.369E-01 RMM: 2 -0.334193209144E+03 -0.11710E-01 -0.11323E-01 5360 0.714E-01 0.744E-01 RMM: 3 -0.334188842939E+03 0.43662E-02 -0.91088E-03 5653 0.196E-01 0.296E-01 RMM: 4 -0.334189458448E+03 -0.61551E-03 -0.23655E-03 5134 0.128E-01 0.469E-01 RMM: 5 -0.334188091068E+03 0.13674E-02 -0.11364E-03 4612 0.920E-02 0.166E-01 RMM: 6 -0.334188075563E+03 0.15504E-04 -0.33929E-04 3961 0.478E-02 0.168E-01 RMM: 7 -0.334187949333E+03 0.12623E-03 -0.18959E-04 3884 0.427E-02 0.112E-01 RMM: 8 -0.334187868197E+03 0.81136E-04 -0.51253E-05 3307 0.216E-02 0.399E-02 RMM: 9 -0.334187875981E+03 -0.77841E-05 -0.21434E-05 2558 0.136E-02 4232 T= 6338. E= 0.67950845E+03 F= 0.62707900E+03 E0= 0.65585567E+03 EK= 0.52429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333328660564E+03 0.85921E+00 -0.20482E-01 8916 0.240E+01 0.371E-01 RMM: 2 -0.333341455019E+03 -0.12794E-01 -0.12320E-01 5264 0.746E-01 0.757E-01 RMM: 3 -0.333336786948E+03 0.46681E-02 -0.10549E-02 5721 0.209E-01 0.280E-01 RMM: 4 -0.333337478219E+03 -0.69127E-03 -0.21896E-03 5130 0.121E-01 0.471E-01 RMM: 5 -0.333336071319E+03 0.14069E-02 -0.11245E-03 4608 0.917E-02 0.171E-01 RMM: 6 -0.333336038838E+03 0.32481E-04 -0.38491E-04 4058 0.512E-02 0.164E-01 RMM: 7 -0.333335953047E+03 0.85791E-04 -0.18408E-04 3879 0.419E-02 0.130E-01 RMM: 8 -0.333335840446E+03 0.11260E-03 -0.56855E-05 3369 0.226E-02 0.392E-02 RMM: 9 -0.333335847197E+03 -0.67504E-05 -0.22899E-05 2590 0.140E-02 4233 T= 6513. E= 0.68137283E+03 F= 0.62748946E+03 E0= 0.65624929E+03 EK= 0.53883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332333775202E+03 0.10021E+01 -0.21168E-01 8928 0.244E+01 0.373E-01 RMM: 2 -0.332348851258E+03 -0.15076E-01 -0.12654E-01 5365 0.752E-01 0.931E-01 RMM: 3 -0.332342147766E+03 0.67035E-02 -0.10266E-02 5695 0.207E-01 0.279E-01 RMM: 4 -0.332342716259E+03 -0.56849E-03 -0.24022E-03 5188 0.126E-01 0.449E-01 RMM: 5 -0.332341508241E+03 0.12080E-02 -0.12439E-03 4616 0.976E-02 0.194E-01 RMM: 6 -0.332341376524E+03 0.13172E-03 -0.34698E-04 3951 0.484E-02 0.145E-01 RMM: 7 -0.332341322502E+03 0.54022E-04 -0.19120E-04 3884 0.424E-02 0.129E-01 RMM: 8 -0.332341216299E+03 0.10620E-03 -0.59114E-05 3396 0.232E-02 0.412E-02 RMM: 9 -0.332341220518E+03 -0.42182E-05 -0.19223E-05 2558 0.128E-02 4234 T= 6651. E= 0.68307350E+03 F= 0.62805183E+03 E0= 0.65679232E+03 EK= 0.55022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331184675210E+03 0.11565E+01 -0.21410E-01 8952 0.245E+01 0.395E-01 RMM: 2 -0.331199987155E+03 -0.15312E-01 -0.13070E-01 5417 0.765E-01 0.933E-01 RMM: 3 -0.331193124132E+03 0.68630E-02 -0.10951E-02 5545 0.221E-01 0.297E-01 RMM: 4 -0.331193952448E+03 -0.82832E-03 -0.23275E-03 5095 0.119E-01 0.489E-01 RMM: 5 -0.331192489614E+03 0.14628E-02 -0.11335E-03 4608 0.922E-02 0.207E-01 RMM: 6 -0.331192295199E+03 0.19442E-03 -0.36516E-04 4018 0.497E-02 0.129E-01 RMM: 7 -0.331192319112E+03 -0.23913E-04 -0.17506E-04 3888 0.391E-02 0.150E-01 RMM: 8 -0.331192167822E+03 0.15129E-03 -0.73846E-05 3526 0.255E-02 0.418E-02 RMM: 9 -0.331192168131E+03 -0.30876E-06 -0.21456E-05 2615 0.135E-02 4235 T= 6697. E= 0.68417927E+03 F= 0.62877629E+03 E0= 0.65749654E+03 EK= 0.55403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329939240524E+03 0.12529E+01 -0.22015E-01 8712 0.244E+01 0.423E-01 RMM: 2 -0.329957609222E+03 -0.18369E-01 -0.13690E-01 5435 0.794E-01 0.114E+00 RMM: 3 -0.329948101325E+03 0.95079E-02 -0.12018E-02 5559 0.232E-01 0.329E-01 RMM: 4 -0.329948767825E+03 -0.66650E-03 -0.29087E-03 5284 0.133E-01 0.485E-01 RMM: 5 -0.329947349501E+03 0.14183E-02 -0.12676E-03 4614 0.980E-02 0.211E-01 RMM: 6 -0.329947110662E+03 0.23884E-03 -0.29749E-04 3925 0.450E-02 0.110E-01 RMM: 7 -0.329947161111E+03 -0.50449E-04 -0.15753E-04 3896 0.358E-02 0.149E-01 RMM: 8 -0.329947017238E+03 0.14387E-03 -0.71842E-05 3510 0.252E-02 0.439E-02 RMM: 9 -0.329947014678E+03 0.25600E-05 -0.19086E-05 2564 0.126E-02 4236 T= 6639. E= 0.68452823E+03 F= 0.62960193E+03 E0= 0.65830240E+03 EK= 0.54926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328713780901E+03 0.12332E+01 -0.21408E-01 8796 0.241E+01 0.451E-01 RMM: 2 -0.328733599632E+03 -0.19819E-01 -0.13436E-01 5370 0.799E-01 0.127E+00 RMM: 3 -0.328721963982E+03 0.11636E-01 -0.13199E-02 5419 0.255E-01 0.321E-01 RMM: 4 -0.328723196086E+03 -0.12321E-02 -0.30307E-03 5301 0.133E-01 0.550E-01 RMM: 5 -0.328721410992E+03 0.17851E-02 -0.11425E-03 4608 0.913E-02 0.239E-01 RMM: 6 -0.328721053226E+03 0.35777E-03 -0.33388E-04 3966 0.476E-02 0.937E-02 RMM: 7 -0.328721155575E+03 -0.10235E-03 -0.16344E-04 3881 0.349E-02 0.161E-01 RMM: 8 -0.328720979571E+03 0.17600E-03 -0.86431E-05 3632 0.274E-02 0.399E-02 RMM: 9 -0.328720978142E+03 0.14289E-05 -0.22006E-05 2671 0.137E-02 4237 T= 6513. E= 0.68429121E+03 F= 0.63041106E+03 E0= 0.65909365E+03 EK= 0.53880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327637805939E+03 0.10832E+01 -0.19889E-01 8556 0.237E+01 0.436E-01 RMM: 2 -0.327654565773E+03 -0.16760E-01 -0.12033E-01 5351 0.758E-01 0.114E+00 RMM: 3 -0.327645164376E+03 0.94014E-02 -0.11287E-02 5421 0.232E-01 0.342E-01 RMM: 4 -0.327646278078E+03 -0.11137E-02 -0.31775E-03 5301 0.139E-01 0.545E-01 RMM: 5 -0.327644425321E+03 0.18528E-02 -0.12889E-03 4605 0.979E-02 0.197E-01 RMM: 6 -0.327644195617E+03 0.22970E-03 -0.24081E-04 3902 0.403E-02 0.894E-02 RMM: 7 -0.327644245960E+03 -0.50342E-04 -0.12636E-04 3880 0.312E-02 0.133E-01 RMM: 8 -0.327644127028E+03 0.11893E-03 -0.60951E-05 3413 0.235E-02 0.379E-02 RMM: 9 -0.327644128112E+03 -0.10836E-05 -0.17900E-05 2551 0.121E-02 4238 T= 6379. E= 0.68384549E+03 F= 0.63107222E+03 E0= 0.65973976E+03 EK= 0.52773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326803616784E+03 0.84051E+00 -0.18388E-01 8232 0.235E+01 0.430E-01 RMM: 2 -0.326819368039E+03 -0.15751E-01 -0.11570E-01 5127 0.767E-01 0.112E+00 RMM: 3 -0.326810712408E+03 0.86556E-02 -0.12227E-02 5450 0.239E-01 0.311E-01 RMM: 4 -0.326812072790E+03 -0.13604E-02 -0.28127E-03 5272 0.129E-01 0.563E-01 RMM: 5 -0.326810118912E+03 0.19539E-02 -0.11439E-03 4603 0.916E-02 0.206E-01 RMM: 6 -0.326809858230E+03 0.26068E-03 -0.29088E-04 3920 0.441E-02 0.902E-02 RMM: 7 -0.326809922566E+03 -0.64335E-04 -0.12990E-04 3872 0.323E-02 0.140E-01 RMM: 8 -0.326809788506E+03 0.13406E-03 -0.63920E-05 3443 0.239E-02 0.346E-02 RMM: 9 -0.326809790656E+03 -0.21494E-05 -0.18419E-05 2550 0.124E-02 4239 T= 6295. E= 0.68356928E+03 F= 0.63149214E+03 E0= 0.66014715E+03 EK= 0.52077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326237134592E+03 0.57265E+00 -0.18033E-01 7956 0.234E+01 0.395E-01 RMM: 2 -0.326248214616E+03 -0.11080E-01 -0.91516E-02 5283 0.682E-01 0.904E-01 RMM: 3 -0.326242475060E+03 0.57396E-02 -0.90855E-03 5448 0.206E-01 0.310E-01 RMM: 4 -0.326243515614E+03 -0.10406E-02 -0.25421E-03 5226 0.126E-01 0.516E-01 RMM: 5 -0.326241815189E+03 0.17004E-02 -0.11091E-03 4608 0.906E-02 0.172E-01 RMM: 6 -0.326241676176E+03 0.13901E-03 -0.25375E-04 3897 0.408E-02 0.109E-01 RMM: 7 -0.326241685828E+03 -0.96525E-05 -0.11015E-04 3851 0.311E-02 4240 T= 6291. E= 0.68368823E+03 F= 0.63164830E+03 E0= 0.66029276E+03 EK= 0.52040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325886911468E+03 0.35476E+00 -0.18743E-01 7884 0.235E+01 0.425E-01 RMM: 2 -0.325900249263E+03 -0.13338E-01 -0.97818E-02 5169 0.725E-01 0.107E+00 RMM: 3 -0.325892627716E+03 0.76215E-02 -0.10611E-02 5485 0.223E-01 0.317E-01 RMM: 4 -0.325893497771E+03 -0.87005E-03 -0.25851E-03 5220 0.125E-01 0.505E-01 RMM: 5 -0.325891906844E+03 0.15909E-02 -0.13843E-03 4612 0.102E-01 0.200E-01 RMM: 6 -0.325891758644E+03 0.14820E-03 -0.35417E-04 3996 0.487E-02 0.149E-01 RMM: 7 -0.325891701011E+03 0.57633E-04 -0.19903E-04 3884 0.433E-02 0.133E-01 RMM: 8 -0.325891589507E+03 0.11150E-03 -0.75543E-05 3543 0.259E-02 0.455E-02 RMM: 9 -0.325891601129E+03 -0.11621E-04 -0.27068E-05 2777 0.151E-02 4241 T= 6362. E= 0.68421759E+03 F= 0.63159057E+03 E0= 0.66022358E+03 EK= 0.52627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325658726542E+03 0.23286E+00 -0.19456E-01 8112 0.237E+01 0.349E-01 RMM: 2 -0.325674837060E+03 -0.16111E-01 -0.10266E-01 5119 0.747E-01 0.114E+00 RMM: 3 -0.325665674138E+03 0.91629E-02 -0.11638E-02 5502 0.232E-01 0.259E-01 RMM: 4 -0.325665968908E+03 -0.29477E-03 -0.18419E-03 4939 0.103E-01 0.367E-01 RMM: 5 -0.325665237140E+03 0.73177E-03 -0.91910E-04 4608 0.835E-02 0.201E-01 RMM: 6 -0.325665033922E+03 0.20322E-03 -0.36271E-04 3989 0.496E-02 0.110E-01 RMM: 7 -0.325665070058E+03 -0.36136E-04 -0.12635E-04 3870 0.338E-02 0.135E-01 RMM: 8 -0.325664946059E+03 0.12400E-03 -0.47159E-05 3277 0.211E-02 0.329E-02 RMM: 9 -0.325664944659E+03 0.14003E-05 -0.12417E-05 2504 0.103E-02 4242 T= 6474. E= 0.68497106E+03 F= 0.63141475E+03 E0= 0.66003410E+03 EK= 0.53556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325452850367E+03 0.21210E+00 -0.19363E-01 8028 0.239E+01 0.386E-01 RMM: 2 -0.325467518834E+03 -0.14668E-01 -0.99656E-02 5252 0.738E-01 0.111E+00 RMM: 3 -0.325459186777E+03 0.83321E-02 -0.10736E-02 5576 0.218E-01 0.291E-01 RMM: 4 -0.325459455699E+03 -0.26892E-03 -0.22065E-03 5072 0.117E-01 0.401E-01 RMM: 5 -0.325458652140E+03 0.80356E-03 -0.11830E-03 4615 0.947E-02 0.244E-01 RMM: 6 -0.325458361296E+03 0.29084E-03 -0.46481E-04 4458 0.559E-02 0.145E-01 RMM: 7 -0.325458345805E+03 0.15490E-04 -0.23003E-04 3894 0.443E-02 0.149E-01 RMM: 8 -0.325458199651E+03 0.14615E-03 -0.89652E-05 3616 0.290E-02 0.453E-02 RMM: 9 -0.325458203316E+03 -0.36656E-05 -0.22426E-05 2603 0.138E-02 4243 T= 6577. E= 0.68563432E+03 F= 0.63122455E+03 E0= 0.65982597E+03 EK= 0.54410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325185970777E+03 0.27223E+00 -0.19839E-01 8064 0.240E+01 0.367E-01 RMM: 2 -0.325202852855E+03 -0.16882E-01 -0.10627E-01 5249 0.753E-01 0.120E+00 RMM: 3 -0.325193003787E+03 0.98491E-02 -0.11699E-02 5573 0.230E-01 0.269E-01 RMM: 4 -0.325193286201E+03 -0.28241E-03 -0.18539E-03 4869 0.105E-01 0.383E-01 RMM: 5 -0.325192395412E+03 0.89079E-03 -0.10502E-03 4609 0.900E-02 0.183E-01 RMM: 6 -0.325192349646E+03 0.45765E-04 -0.45211E-04 4306 0.542E-02 0.171E-01 RMM: 7 -0.325192285811E+03 0.63835E-04 -0.18449E-04 3888 0.394E-02 0.146E-01 RMM: 8 -0.325192143493E+03 0.14232E-03 -0.70070E-05 3502 0.254E-02 0.409E-02 RMM: 9 -0.325192146241E+03 -0.27474E-05 -0.21449E-05 2584 0.135E-02 4244 T= 6625. E= 0.68590170E+03 F= 0.63109825E+03 E0= 0.65967551E+03 EK= 0.54803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324824743003E+03 0.36740E+00 -0.20144E-01 8040 0.240E+01 0.376E-01 RMM: 2 -0.324841208572E+03 -0.16466E-01 -0.10535E-01 5241 0.748E-01 0.117E+00 RMM: 3 -0.324831552385E+03 0.96562E-02 -0.11023E-02 5611 0.221E-01 0.277E-01 RMM: 4 -0.324831830269E+03 -0.27788E-03 -0.21308E-03 5084 0.115E-01 0.387E-01 RMM: 5 -0.324831076080E+03 0.75419E-03 -0.98249E-04 4611 0.856E-02 0.240E-01 RMM: 6 -0.324830768377E+03 0.30770E-03 -0.42363E-04 4289 0.536E-02 0.128E-01 RMM: 7 -0.324830774386E+03 -0.60096E-05 -0.19012E-04 3886 0.404E-02 4245 T= 6595. E= 0.68562663E+03 F= 0.63107015E+03 E0= 0.65961618E+03 EK= 0.54556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324373423267E+03 0.45735E+00 -0.19793E-01 7908 0.239E+01 0.413E-01 RMM: 2 -0.324385905653E+03 -0.12482E-01 -0.10325E-01 5219 0.727E-01 0.963E-01 RMM: 3 -0.324379691105E+03 0.62145E-02 -0.10708E-02 5662 0.212E-01 0.325E-01 RMM: 4 -0.324380481445E+03 -0.79034E-03 -0.26035E-03 5242 0.129E-01 0.515E-01 RMM: 5 -0.324378789435E+03 0.16920E-02 -0.14377E-03 4618 0.104E-01 0.179E-01 RMM: 6 -0.324378770870E+03 0.18564E-04 -0.36471E-04 3987 0.492E-02 0.177E-01 RMM: 7 -0.324378648146E+03 0.12272E-03 -0.20241E-04 3884 0.431E-02 0.133E-01 RMM: 8 -0.324378535859E+03 0.11229E-03 -0.78711E-05 3544 0.262E-02 0.460E-02 RMM: 9 -0.324378547920E+03 -0.12060E-04 -0.29383E-05 2771 0.157E-02 4246 T= 6500. E= 0.68490271E+03 F= 0.63113404E+03 E0= 0.65964303E+03 EK= 0.53769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323859040015E+03 0.51950E+00 -0.18874E-01 7944 0.237E+01 0.339E-01 RMM: 2 -0.323871847395E+03 -0.12807E-01 -0.88242E-02 5256 0.671E-01 0.102E+00 RMM: 3 -0.323864537078E+03 0.73103E-02 -0.91150E-03 5546 0.204E-01 0.239E-01 RMM: 4 -0.323865076564E+03 -0.53949E-03 -0.16359E-03 4820 0.982E-02 0.392E-01 RMM: 5 -0.323864129186E+03 0.94738E-03 -0.74451E-04 4604 0.745E-02 0.171E-01 RMM: 6 -0.323863974495E+03 0.15469E-03 -0.25955E-04 3904 0.422E-02 0.931E-02 RMM: 7 -0.323864024034E+03 -0.49539E-04 -0.10418E-04 3778 0.295E-02 0.130E-01 RMM: 8 -0.323863908552E+03 0.11548E-03 -0.51201E-05 3312 0.218E-02 0.323E-02 RMM: 9 -0.323863905251E+03 0.33014E-05 -0.10297E-05 2488 0.927E-03 4247 T= 6377. E= 0.68401709E+03 F= 0.63126044E+03 E0= 0.65972773E+03 EK= 0.52757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323313960054E+03 0.54995E+00 -0.17960E-01 7980 0.235E+01 0.406E-01 RMM: 2 -0.323324123919E+03 -0.10164E-01 -0.81694E-02 5255 0.658E-01 0.937E-01 RMM: 3 -0.323318234131E+03 0.58898E-02 -0.84666E-03 5465 0.200E-01 0.309E-01 RMM: 4 -0.323319279465E+03 -0.10453E-02 -0.25251E-03 5253 0.127E-01 0.524E-01 RMM: 5 -0.323317552908E+03 0.17266E-02 -0.12073E-03 4615 0.949E-02 0.192E-01 RMM: 6 -0.323317373343E+03 0.17957E-03 -0.27891E-04 3898 0.434E-02 0.113E-01 RMM: 7 -0.323317383835E+03 -0.10492E-04 -0.14378E-04 3888 0.351E-02 4248 T= 6273. E= 0.68331745E+03 F= 0.63141887E+03 E0= 0.65984286E+03 EK= 0.51899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322752071658E+03 0.56530E+00 -0.16521E-01 7932 0.234E+01 0.418E-01 RMM: 2 -0.322762849903E+03 -0.10778E-01 -0.72259E-02 5254 0.641E-01 0.106E+00 RMM: 3 -0.322755525624E+03 0.73243E-02 -0.84117E-03 5408 0.208E-01 0.308E-01 RMM: 4 -0.322756476490E+03 -0.95087E-03 -0.24606E-03 5226 0.123E-01 0.504E-01 RMM: 5 -0.322754931009E+03 0.15455E-02 -0.12275E-03 4613 0.960E-02 0.213E-01 RMM: 6 -0.322754696396E+03 0.23461E-03 -0.32340E-04 3930 0.470E-02 0.119E-01 RMM: 7 -0.322754734664E+03 -0.38268E-04 -0.17856E-04 3880 0.389E-02 0.150E-01 RMM: 8 -0.322754584242E+03 0.15042E-03 -0.88213E-05 3618 0.282E-02 0.458E-02 RMM: 9 -0.322754585038E+03 -0.79667E-06 -0.23230E-05 2690 0.142E-02 4249 T= 6224. E= 0.68308201E+03 F= 0.63159502E+03 E0= 0.65997589E+03 EK= 0.51487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322168530238E+03 0.58605E+00 -0.16577E-01 7824 0.234E+01 0.355E-01 RMM: 2 -0.322182580057E+03 -0.14050E-01 -0.74960E-02 5141 0.651E-01 0.118E+00 RMM: 3 -0.322172881177E+03 0.96989E-02 -0.88542E-03 5403 0.211E-01 0.236E-01 RMM: 4 -0.322173646688E+03 -0.76551E-03 -0.19441E-03 4938 0.107E-01 0.430E-01 RMM: 5 -0.322172567042E+03 0.10796E-02 -0.82808E-04 4597 0.788E-02 0.183E-01 RMM: 6 -0.322172369273E+03 0.19777E-03 -0.22832E-04 3895 0.396E-02 0.825E-02 RMM: 7 -0.322172404444E+03 -0.35171E-04 -0.10806E-04 3828 0.295E-02 0.113E-01 RMM: 8 -0.322172316332E+03 0.88112E-04 -0.48796E-05 3292 0.217E-02 0.306E-02 RMM: 9 -0.322172313329E+03 0.30028E-05 -0.88786E-06 2481 0.872E-03 4250 T= 6243. E= 0.68343904E+03 F= 0.63179410E+03 E0= 0.66013592E+03 EK= 0.51645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321548304472E+03 0.62401E+00 -0.16499E-01 7884 0.236E+01 0.387E-01 RMM: 2 -0.321558402062E+03 -0.10098E-01 -0.69186E-02 5222 0.645E-01 0.101E+00 RMM: 3 -0.321551773826E+03 0.66282E-02 -0.82680E-03 5388 0.209E-01 0.283E-01 RMM: 4 -0.321552482790E+03 -0.70896E-03 -0.19778E-03 4952 0.109E-01 0.448E-01 RMM: 5 -0.321551267957E+03 0.12148E-02 -0.10313E-03 4610 0.884E-02 0.201E-01 RMM: 6 -0.321551050870E+03 0.21709E-03 -0.28131E-04 3901 0.438E-02 0.107E-01 RMM: 7 -0.321551073309E+03 -0.22439E-04 -0.14693E-04 3869 0.363E-02 0.131E-01 RMM: 8 -0.321550958262E+03 0.11505E-03 -0.62602E-05 3452 0.240E-02 0.396E-02 RMM: 9 -0.321550956953E+03 0.13094E-05 -0.19401E-05 2576 0.131E-02 4251 T= 6322. E= 0.68434150E+03 F= 0.63203785E+03 E0= 0.66034732E+03 EK= 0.52304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320858516417E+03 0.69244E+00 -0.17137E-01 7932 0.238E+01 0.377E-01 RMM: 2 -0.320874007198E+03 -0.15491E-01 -0.71499E-02 5239 0.660E-01 0.131E+00 RMM: 3 -0.320862384540E+03 0.11623E-01 -0.87139E-03 5378 0.218E-01 0.271E-01 RMM: 4 -0.320862706935E+03 -0.32240E-03 -0.19254E-03 4865 0.106E-01 0.371E-01 RMM: 5 -0.320861999849E+03 0.70709E-03 -0.93770E-04 4608 0.850E-02 0.220E-01 RMM: 6 -0.320861722853E+03 0.27700E-03 -0.28518E-04 3903 0.445E-02 0.998E-02 RMM: 7 -0.320861766843E+03 -0.43991E-04 -0.15788E-04 3884 0.364E-02 0.135E-01 RMM: 8 -0.320861641754E+03 0.12509E-03 -0.71168E-05 3504 0.256E-02 0.358E-02 RMM: 9 -0.320861641626E+03 0.12857E-06 -0.13680E-05 2522 0.109E-02 4252 T= 6434. E= 0.68558375E+03 F= 0.63235670E+03 E0= 0.66064260E+03 EK= 0.53227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320079537944E+03 0.78210E+00 -0.17323E-01 7752 0.240E+01 0.349E-01 RMM: 2 -0.320089449043E+03 -0.99111E-02 -0.71323E-02 5304 0.646E-01 0.936E-01 RMM: 3 -0.320083681445E+03 0.57676E-02 -0.75656E-03 5445 0.191E-01 0.256E-01 RMM: 4 -0.320084137138E+03 -0.45569E-03 -0.16369E-03 4719 0.101E-01 0.389E-01 RMM: 5 -0.320083238306E+03 0.89883E-03 -0.86253E-04 4608 0.813E-02 0.188E-01 RMM: 6 -0.320083068402E+03 0.16990E-03 -0.29200E-04 3912 0.442E-02 0.114E-01 RMM: 7 -0.320083095339E+03 -0.26937E-04 -0.13940E-04 3876 0.353E-02 0.138E-01 RMM: 8 -0.320082966360E+03 0.12898E-03 -0.61260E-05 3421 0.235E-02 0.350E-02 RMM: 9 -0.320082967362E+03 -0.10018E-05 -0.16767E-05 2534 0.120E-02 4253 T= 6538. E= 0.68685811E+03 F= 0.63277258E+03 E0= 0.66104548E+03 EK= 0.54086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319213769415E+03 0.86920E+00 -0.17593E-01 7896 0.241E+01 0.375E-01 RMM: 2 -0.319229976443E+03 -0.16207E-01 -0.85717E-02 5216 0.712E-01 0.127E+00 RMM: 3 -0.319219021591E+03 0.10955E-01 -0.99967E-03 5432 0.225E-01 0.289E-01 RMM: 4 -0.319219085368E+03 -0.63777E-04 -0.19054E-03 4852 0.105E-01 0.336E-01 RMM: 5 -0.319218489312E+03 0.59606E-03 -0.87825E-04 4608 0.824E-02 0.212E-01 RMM: 6 -0.319218244124E+03 0.24519E-03 -0.27631E-04 3891 0.437E-02 0.105E-01 RMM: 7 -0.319218287272E+03 -0.43148E-04 -0.15574E-04 3885 0.358E-02 0.139E-01 RMM: 8 -0.319218156128E+03 0.13114E-03 -0.70869E-05 3511 0.252E-02 0.356E-02 RMM: 9 -0.319218155941E+03 0.18706E-06 -0.14364E-05 2518 0.110E-02 4254 T= 6597. E= 0.68785754E+03 F= 0.63328172E+03 E0= 0.66155244E+03 EK= 0.54576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318293547291E+03 0.92461E+00 -0.17892E-01 7728 0.241E+01 0.366E-01 RMM: 2 -0.318305862844E+03 -0.12316E-01 -0.83657E-02 5222 0.702E-01 0.103E+00 RMM: 3 -0.318298605197E+03 0.72576E-02 -0.96680E-03 5494 0.219E-01 0.271E-01 RMM: 4 -0.318298901431E+03 -0.29623E-03 -0.16755E-03 4775 0.984E-02 0.369E-01 RMM: 5 -0.318298135570E+03 0.76586E-03 -0.80494E-04 4608 0.777E-02 0.205E-01 RMM: 6 -0.318297906641E+03 0.22893E-03 -0.32691E-04 3905 0.473E-02 0.106E-01 RMM: 7 -0.318297972919E+03 -0.66277E-04 -0.14520E-04 3879 0.347E-02 0.151E-01 RMM: 8 -0.318297819165E+03 0.15375E-03 -0.72596E-05 3522 0.252E-02 0.379E-02 RMM: 9 -0.318297816099E+03 0.30656E-05 -0.16377E-05 2538 0.118E-02 4255 T= 6593. E= 0.68839481E+03 F= 0.63385225E+03 E0= 0.66213152E+03 EK= 0.54543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317364631403E+03 0.93319E+00 -0.18202E-01 7740 0.240E+01 0.379E-01 RMM: 2 -0.317381968558E+03 -0.17337E-01 -0.83656E-02 5228 0.699E-01 0.133E+00 RMM: 3 -0.317369634545E+03 0.12334E-01 -0.98756E-03 5453 0.225E-01 0.287E-01 RMM: 4 -0.317369810324E+03 -0.17578E-03 -0.20537E-03 4967 0.109E-01 0.355E-01 RMM: 5 -0.317369121500E+03 0.68882E-03 -0.82454E-04 4608 0.790E-02 0.210E-01 RMM: 6 -0.317368863668E+03 0.25783E-03 -0.25725E-04 3911 0.422E-02 0.954E-02 RMM: 7 -0.317368917258E+03 -0.53590E-04 -0.15088E-04 3880 0.343E-02 0.137E-01 RMM: 8 -0.317368790902E+03 0.12636E-03 -0.70544E-05 3498 0.253E-02 0.383E-02 RMM: 9 -0.317368786581E+03 0.43214E-05 -0.13749E-05 2518 0.108E-02 4256 T= 6532. E= 0.68847673E+03 F= 0.63443587E+03 E0= 0.66273293E+03 EK= 0.54041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316473751814E+03 0.89504E+00 -0.17851E-01 7920 0.237E+01 0.364E-01 RMM: 2 -0.316486832997E+03 -0.13081E-01 -0.85056E-02 5102 0.700E-01 0.106E+00 RMM: 3 -0.316479155269E+03 0.76777E-02 -0.99806E-03 5490 0.220E-01 0.300E-01 RMM: 4 -0.316479367383E+03 -0.21211E-03 -0.18759E-03 4963 0.105E-01 0.366E-01 RMM: 5 -0.316478593784E+03 0.77360E-03 -0.77586E-04 4604 0.752E-02 0.199E-01 RMM: 6 -0.316478366922E+03 0.22686E-03 -0.29861E-04 3906 0.455E-02 0.992E-02 RMM: 7 -0.316478437921E+03 -0.71000E-04 -0.13707E-04 3871 0.329E-02 0.148E-01 RMM: 8 -0.316478290456E+03 0.14747E-03 -0.68596E-05 3485 0.247E-02 0.388E-02 RMM: 9 -0.316478285073E+03 0.53836E-05 -0.15350E-05 2527 0.114E-02 4257 T= 6443. E= 0.68828212E+03 F= 0.63498423E+03 E0= 0.66330643E+03 EK= 0.53298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315645415599E+03 0.83287E+00 -0.18277E-01 7788 0.235E+01 0.361E-01 RMM: 2 -0.315662441535E+03 -0.17026E-01 -0.91036E-02 5026 0.722E-01 0.127E+00 RMM: 3 -0.315651241822E+03 0.11200E-01 -0.10969E-02 5498 0.230E-01 0.232E-01 RMM: 4 -0.315651865669E+03 -0.62385E-03 -0.20167E-03 5120 0.110E-01 0.407E-01 RMM: 5 -0.315650906572E+03 0.95910E-03 -0.78617E-04 4606 0.764E-02 0.197E-01 RMM: 6 -0.315650672693E+03 0.23388E-03 -0.24000E-04 3899 0.402E-02 0.851E-02 RMM: 7 -0.315650696815E+03 -0.24122E-04 -0.11559E-04 3867 0.312E-02 0.113E-01 RMM: 8 -0.315650613101E+03 0.83714E-04 -0.45586E-05 3254 0.206E-02 0.358E-02 RMM: 9 -0.315650610310E+03 0.27907E-05 -0.12474E-05 2502 0.102E-02 4258 T= 6358. E= 0.68807144E+03 F= 0.63547265E+03 E0= 0.66382396E+03 EK= 0.52599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314872628882E+03 0.77798E+00 -0.18390E-01 7980 0.234E+01 0.324E-01 RMM: 2 -0.314881858127E+03 -0.92292E-02 -0.76413E-02 5071 0.655E-01 0.798E-01 RMM: 3 -0.314877543459E+03 0.43147E-02 -0.82545E-03 5548 0.195E-01 0.245E-01 RMM: 4 -0.314878190218E+03 -0.64676E-03 -0.16072E-03 4930 0.101E-01 0.415E-01 RMM: 5 -0.314877105774E+03 0.10844E-02 -0.71183E-04 4592 0.717E-02 0.156E-01 RMM: 6 -0.314876999206E+03 0.10657E-03 -0.23394E-04 3891 0.397E-02 0.104E-01 RMM: 7 -0.314877006709E+03 -0.75031E-05 -0.10081E-04 3798 0.300E-02 4259 T= 6306. E= 0.68807973E+03 F= 0.63591026E+03 E0= 0.66429221E+03 EK= 0.52169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314112569142E+03 0.76443E+00 -0.18811E-01 8028 0.234E+01 0.359E-01 RMM: 2 -0.314123060377E+03 -0.10491E-01 -0.76981E-02 5103 0.670E-01 0.924E-01 RMM: 3 -0.314117324865E+03 0.57355E-02 -0.89986E-03 5521 0.207E-01 0.282E-01 RMM: 4 -0.314117713834E+03 -0.38897E-03 -0.18388E-03 4977 0.105E-01 0.401E-01 RMM: 5 -0.314116783630E+03 0.93020E-03 -0.99625E-04 4603 0.866E-02 0.196E-01 RMM: 6 -0.314116591082E+03 0.19255E-03 -0.29314E-04 3912 0.452E-02 0.112E-01 RMM: 7 -0.314116632369E+03 -0.41287E-04 -0.15543E-04 3872 0.362E-02 0.144E-01 RMM: 8 -0.314116495336E+03 0.13703E-03 -0.74990E-05 3532 0.263E-02 0.455E-02 RMM: 9 -0.314116490729E+03 0.46069E-05 -0.18354E-05 2545 0.126E-02 4260 T= 6299. E= 0.68845002E+03 F= 0.63633905E+03 E0= 0.66475005E+03 EK= 0.52111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313305861898E+03 0.81063E+00 -0.19430E-01 7836 0.234E+01 0.289E-01 RMM: 2 -0.313318795226E+03 -0.12933E-01 -0.97426E-02 4850 0.743E-01 0.886E-01 RMM: 3 -0.313313275601E+03 0.55196E-02 -0.11427E-02 5635 0.219E-01 0.222E-01 RMM: 4 -0.313313527650E+03 -0.25205E-03 -0.14174E-03 4958 0.916E-02 0.329E-01 RMM: 5 -0.313312843851E+03 0.68380E-03 -0.61170E-04 4581 0.671E-02 0.140E-01 RMM: 6 -0.313312769689E+03 0.74162E-04 -0.21200E-04 3884 0.386E-02 0.969E-02 RMM: 7 -0.313312780024E+03 -0.10335E-04 -0.75231E-05 3590 0.266E-02 4261 T= 6333. E= 0.68920444E+03 F= 0.63681648E+03 E0= 0.66525359E+03 EK= 0.52388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312412204418E+03 0.90057E+00 -0.18563E-01 7980 0.236E+01 0.367E-01 RMM: 2 -0.312424777304E+03 -0.12573E-01 -0.78026E-02 5117 0.690E-01 0.109E+00 RMM: 3 -0.312416892592E+03 0.78847E-02 -0.97919E-03 5465 0.224E-01 0.277E-01 RMM: 4 -0.312417259622E+03 -0.36703E-03 -0.17900E-03 4937 0.103E-01 0.385E-01 RMM: 5 -0.312416407360E+03 0.85226E-03 -0.89435E-04 4608 0.816E-02 0.204E-01 RMM: 6 -0.312416190421E+03 0.21694E-03 -0.28380E-04 3888 0.439E-02 0.113E-01 RMM: 7 -0.312416215650E+03 -0.25228E-04 -0.15939E-04 3880 0.375E-02 0.139E-01 RMM: 8 -0.312416086683E+03 0.12897E-03 -0.71588E-05 3507 0.255E-02 0.354E-02 RMM: 9 -0.312416093976E+03 -0.72929E-05 -0.21983E-05 2593 0.137E-02 4262 T= 6390. E= 0.69025646E+03 F= 0.63739337E+03 E0= 0.66585032E+03 EK= 0.52863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311400779671E+03 0.10153E+01 -0.19837E-01 7956 0.237E+01 0.330E-01 RMM: 2 -0.311419096157E+03 -0.18316E-01 -0.10546E-01 4825 0.808E-01 0.124E+00 RMM: 3 -0.311408549266E+03 0.10547E-01 -0.13411E-02 5535 0.256E-01 0.292E-01 RMM: 4 -0.311408200859E+03 0.34841E-03 -0.16716E-03 4996 0.942E-02 0.232E-01 RMM: 5 -0.311408059338E+03 0.14152E-03 -0.58594E-04 4599 0.634E-02 0.215E-01 RMM: 6 -0.311407771800E+03 0.28754E-03 -0.27177E-04 3883 0.439E-02 0.700E-02 RMM: 7 -0.311407851722E+03 -0.79922E-04 -0.91284E-05 3694 0.272E-02 0.131E-01 RMM: 8 -0.311407735367E+03 0.11636E-03 -0.38985E-05 3121 0.197E-02 0.341E-02 RMM: 9 -0.311407729246E+03 0.61208E-05 -0.10394E-05 2487 0.931E-03 4263 T= 6450. E= 0.69144929E+03 F= 0.63808901E+03 E0= 0.66656012E+03 EK= 0.53360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310306681088E+03 0.11011E+01 -0.19239E-01 8004 0.239E+01 0.342E-01 RMM: 2 -0.310317949881E+03 -0.11269E-01 -0.83164E-02 5159 0.697E-01 0.932E-01 RMM: 3 -0.310312042953E+03 0.59069E-02 -0.95181E-03 5525 0.211E-01 0.239E-01 RMM: 4 -0.310312522911E+03 -0.47996E-03 -0.15466E-03 4801 0.955E-02 0.380E-01 RMM: 5 -0.310311598605E+03 0.92431E-03 -0.66549E-04 4596 0.689E-02 0.164E-01 RMM: 6 -0.310311477974E+03 0.12063E-03 -0.23282E-04 3881 0.396E-02 0.106E-01 RMM: 7 -0.310311523194E+03 -0.45219E-04 -0.11866E-04 3828 0.306E-02 0.141E-01 RMM: 8 -0.310311388843E+03 0.13435E-03 -0.64191E-05 3446 0.241E-02 0.346E-02 RMM: 9 -0.310311387269E+03 0.15736E-05 -0.15347E-05 2523 0.113E-02 4264 T= 6495. E= 0.69260950E+03 F= 0.63887975E+03 E0= 0.66735924E+03 EK= 0.53730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309184654468E+03 0.11267E+01 -0.19266E-01 7920 0.239E+01 0.356E-01 RMM: 2 -0.309202014114E+03 -0.17360E-01 -0.87955E-02 5182 0.733E-01 0.130E+00 RMM: 3 -0.309190484813E+03 0.11529E-01 -0.10661E-02 5450 0.231E-01 0.301E-01 RMM: 4 -0.309190241522E+03 0.24329E-03 -0.17777E-03 4852 0.996E-02 0.270E-01 RMM: 5 -0.309189980878E+03 0.26064E-03 -0.59744E-04 4602 0.641E-02 0.222E-01 RMM: 6 -0.309189678135E+03 0.30274E-03 -0.25074E-04 3882 0.421E-02 0.809E-02 RMM: 7 -0.309189757476E+03 -0.79341E-04 -0.12252E-04 3856 0.302E-02 0.136E-01 RMM: 8 -0.309189631571E+03 0.12591E-03 -0.55306E-05 3361 0.229E-02 0.434E-02 RMM: 9 -0.309189620965E+03 0.10606E-04 -0.12467E-05 2508 0.103E-02 4265 T= 6515. E= 0.69360190E+03 F= 0.63970270E+03 E0= 0.66818564E+03 EK= 0.53899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308117720850E+03 0.10719E+01 -0.19038E-01 7716 0.239E+01 0.341E-01 RMM: 2 -0.308131870559E+03 -0.14150E-01 -0.88213E-02 5140 0.717E-01 0.109E+00 RMM: 3 -0.308123650269E+03 0.82203E-02 -0.10408E-02 5465 0.223E-01 0.255E-01 RMM: 4 -0.308123889401E+03 -0.23913E-03 -0.17110E-03 4902 0.997E-02 0.334E-01 RMM: 5 -0.308123268088E+03 0.62131E-03 -0.60102E-04 4578 0.646E-02 0.197E-01 RMM: 6 -0.308123034416E+03 0.23367E-03 -0.23040E-04 3888 0.394E-02 0.840E-02 RMM: 7 -0.308123117929E+03 -0.83513E-04 -0.12420E-04 3863 0.303E-02 0.143E-01 RMM: 8 -0.308122979060E+03 0.13887E-03 -0.62350E-05 3434 0.239E-02 0.384E-02 RMM: 9 -0.308122973163E+03 0.58970E-05 -0.13805E-05 2519 0.108E-02 4266 T= 6513. E= 0.69435984E+03 F= 0.64047670E+03 E0= 0.66895916E+03 EK= 0.53883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307175739390E+03 0.94724E+00 -0.18937E-01 7872 0.239E+01 0.327E-01 RMM: 2 -0.307193129943E+03 -0.17391E-01 -0.90491E-02 5060 0.727E-01 0.126E+00 RMM: 3 -0.307181955152E+03 0.11175E-01 -0.10360E-02 5466 0.222E-01 0.216E-01 RMM: 4 -0.307182268827E+03 -0.31367E-03 -0.16599E-03 4954 0.990E-02 0.328E-01 RMM: 5 -0.307181687063E+03 0.58176E-03 -0.55126E-04 4585 0.619E-02 0.188E-01 RMM: 6 -0.307181472076E+03 0.21499E-03 -0.21001E-04 3885 0.376E-02 0.773E-02 RMM: 7 -0.307181527546E+03 -0.55471E-04 -0.10484E-04 3783 0.285E-02 0.123E-01 RMM: 8 -0.307181426694E+03 0.10085E-03 -0.46364E-05 3244 0.211E-02 0.372E-02 RMM: 9 -0.307181420024E+03 0.66706E-05 -0.10879E-05 2497 0.936E-03 4267 T= 6498. E= 0.69488406E+03 F= 0.64113118E+03 E0= 0.66961089E+03 EK= 0.53753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306395645360E+03 0.78578E+00 -0.18210E-01 7920 0.239E+01 0.300E-01 RMM: 2 -0.306407626143E+03 -0.11981E-01 -0.86576E-02 5023 0.700E-01 0.908E-01 RMM: 3 -0.306401841551E+03 0.57846E-02 -0.95900E-03 5575 0.204E-01 0.215E-01 RMM: 4 -0.306402221345E+03 -0.37979E-03 -0.13921E-03 4885 0.923E-02 0.344E-01 RMM: 5 -0.306401482677E+03 0.73867E-03 -0.54103E-04 4563 0.618E-02 0.152E-01 RMM: 6 -0.306401369740E+03 0.11294E-03 -0.19008E-04 3884 0.355E-02 0.937E-02 RMM: 7 -0.306401405619E+03 -0.35879E-04 -0.10180E-04 3758 0.284E-02 0.124E-01 RMM: 8 -0.306401301543E+03 0.10408E-03 -0.51188E-05 3296 0.219E-02 0.314E-02 RMM: 9 -0.306401299863E+03 0.16804E-05 -0.12360E-05 2497 0.101E-02 4268 T= 6478. E= 0.69521844E+03 F= 0.64162928E+03 E0= 0.67010522E+03 EK= 0.53589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305772645268E+03 0.62866E+00 -0.17843E-01 8112 0.238E+01 0.293E-01 RMM: 2 -0.305784832739E+03 -0.12187E-01 -0.84407E-02 5002 0.694E-01 0.943E-01 RMM: 3 -0.305778700687E+03 0.61321E-02 -0.92736E-03 5625 0.200E-01 0.191E-01 RMM: 4 -0.305779036131E+03 -0.33544E-03 -0.13544E-03 4844 0.911E-02 0.329E-01 RMM: 5 -0.305778378947E+03 0.65718E-03 -0.54077E-04 4576 0.627E-02 0.146E-01 RMM: 6 -0.305778286270E+03 0.92677E-04 -0.18043E-04 3886 0.350E-02 0.956E-02 RMM: 7 -0.305778299237E+03 -0.12966E-04 -0.85406E-05 3627 0.272E-02 4269 T= 6460. E= 0.69541995E+03 F= 0.64197497E+03 E0= 0.67044793E+03 EK= 0.53445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305270094749E+03 0.50819E+00 -0.17677E-01 8136 0.237E+01 0.327E-01 RMM: 2 -0.305284157044E+03 -0.14062E-01 -0.83677E-02 5064 0.695E-01 0.109E+00 RMM: 3 -0.305275925645E+03 0.82314E-02 -0.99637E-03 5459 0.218E-01 0.263E-01 RMM: 4 -0.305276035732E+03 -0.11009E-03 -0.15925E-03 4865 0.948E-02 0.316E-01 RMM: 5 -0.305275461024E+03 0.57471E-03 -0.63257E-04 4599 0.673E-02 0.174E-01 RMM: 6 -0.305275322301E+03 0.13872E-03 -0.22553E-04 3893 0.391E-02 0.110E-01 RMM: 7 -0.305275352949E+03 -0.30649E-04 -0.13489E-04 3880 0.327E-02 0.135E-01 RMM: 8 -0.305275229420E+03 0.12353E-03 -0.68817E-05 3460 0.248E-02 0.384E-02 RMM: 9 -0.305275229235E+03 0.18461E-06 -0.15362E-05 2530 0.113E-02 4270 T= 6447. E= 0.69554002E+03 F= 0.64220524E+03 E0= 0.67067710E+03 EK= 0.53335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304837791461E+03 0.43744E+00 -0.17965E-01 8100 0.236E+01 0.310E-01 RMM: 2 -0.304855635671E+03 -0.17844E-01 -0.10529E-01 4838 0.775E-01 0.119E+00 RMM: 3 -0.304845838590E+03 0.97971E-02 -0.13239E-02 5502 0.249E-01 0.247E-01 RMM: 4 -0.304845663936E+03 0.17465E-03 -0.15024E-03 4860 0.866E-02 0.239E-01 RMM: 5 -0.304845472655E+03 0.19128E-03 -0.49663E-04 4568 0.597E-02 0.192E-01 RMM: 6 -0.304845233583E+03 0.23907E-03 -0.22247E-04 3897 0.398E-02 0.653E-02 RMM: 7 -0.304845310518E+03 -0.76935E-04 -0.86222E-05 3624 0.256E-02 0.127E-01 RMM: 8 -0.304845199985E+03 0.11053E-03 -0.42837E-05 3191 0.206E-02 0.304E-02 RMM: 9 -0.304845196346E+03 0.36396E-05 -0.95868E-06 2488 0.891E-03 4271 T= 6437. E= 0.69561732E+03 F= 0.64236691E+03 E0= 0.67084069E+03 EK= 0.53250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304446438264E+03 0.39876E+00 -0.17340E-01 8244 0.236E+01 0.305E-01 RMM: 2 -0.304461031833E+03 -0.14594E-01 -0.96309E-02 5082 0.724E-01 0.103E+00 RMM: 3 -0.304453469162E+03 0.75627E-02 -0.10569E-02 5583 0.213E-01 0.239E-01 RMM: 4 -0.304453537455E+03 -0.68293E-04 -0.14749E-03 4828 0.922E-02 0.298E-01 RMM: 5 -0.304453024519E+03 0.51294E-03 -0.55149E-04 4571 0.623E-02 0.160E-01 RMM: 6 -0.304452908485E+03 0.11603E-03 -0.19249E-04 3889 0.361E-02 0.102E-01 RMM: 7 -0.304452923718E+03 -0.15234E-04 -0.10253E-04 3815 0.286E-02 4272 T= 6429. E= 0.69568179E+03 F= 0.64249529E+03 E0= 0.67097347E+03 EK= 0.53187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304083329188E+03 0.36958E+00 -0.17943E-01 7836 0.235E+01 0.327E-01 RMM: 2 -0.304100173255E+03 -0.16844E-01 -0.10782E-01 5002 0.769E-01 0.113E+00 RMM: 3 -0.304091294508E+03 0.88787E-02 -0.12463E-02 5635 0.231E-01 0.245E-01 RMM: 4 -0.304091301509E+03 -0.70004E-05 -0.15280E-03 4853 0.917E-02 0.297E-01 RMM: 5 -0.304090791243E+03 0.51027E-03 -0.57229E-04 4563 0.634E-02 0.165E-01 RMM: 6 -0.304090684930E+03 0.10631E-03 -0.22768E-04 3890 0.390E-02 0.117E-01 RMM: 7 -0.304090706445E+03 -0.21515E-04 -0.12604E-04 3880 0.314E-02 0.138E-01 RMM: 8 -0.304090579903E+03 0.12654E-03 -0.65006E-05 3449 0.237E-02 0.364E-02 RMM: 9 -0.304090583186E+03 -0.32834E-05 -0.17858E-05 2552 0.121E-02 4273 T= 6426. E= 0.69575499E+03 F= 0.64259828E+03 E0= 0.67108278E+03 EK= 0.53157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303771338119E+03 0.31924E+00 -0.17851E-01 7800 0.234E+01 0.309E-01 RMM: 2 -0.303789278266E+03 -0.17940E-01 -0.10367E-01 5030 0.753E-01 0.121E+00 RMM: 3 -0.303778893229E+03 0.10385E-01 -0.12313E-02 5511 0.239E-01 0.230E-01 RMM: 4 -0.303778898339E+03 -0.51107E-05 -0.14266E-03 4763 0.856E-02 0.263E-01 RMM: 5 -0.303778571424E+03 0.32692E-03 -0.43224E-04 4461 0.538E-02 0.175E-01 RMM: 6 -0.303778382962E+03 0.18846E-03 -0.20335E-04 3894 0.378E-02 0.699E-02 RMM: 7 -0.303778448908E+03 -0.65946E-04 -0.86849E-05 3640 0.255E-02 0.123E-01 RMM: 8 -0.303778344425E+03 0.10448E-03 -0.43334E-05 3156 0.209E-02 0.265E-02 RMM: 9 -0.303778343407E+03 0.10181E-05 -0.10145E-05 2493 0.902E-03 4274 T= 6430. E= 0.69584654E+03 F= 0.64265583E+03 E0= 0.67114669E+03 EK= 0.53191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303548986643E+03 0.22936E+00 -0.17514E-01 7824 0.234E+01 0.302E-01 RMM: 2 -0.303562016095E+03 -0.13029E-01 -0.97440E-02 5120 0.731E-01 0.921E-01 RMM: 3 -0.303556189537E+03 0.58266E-02 -0.10873E-02 5720 0.207E-01 0.228E-01 RMM: 4 -0.303556213894E+03 -0.24357E-04 -0.13092E-03 4714 0.874E-02 0.292E-01 RMM: 5 -0.303555719801E+03 0.49409E-03 -0.49519E-04 4505 0.591E-02 0.157E-01 RMM: 6 -0.303555608999E+03 0.11080E-03 -0.18551E-04 3896 0.355E-02 0.101E-01 RMM: 7 -0.303555631117E+03 -0.22118E-04 -0.11073E-04 3857 0.291E-02 0.122E-01 RMM: 8 -0.303555531477E+03 0.99640E-04 -0.54472E-05 3332 0.222E-02 0.359E-02 RMM: 9 -0.303555529767E+03 0.17103E-05 -0.14364E-05 2518 0.109E-02 4275 T= 6445. E= 0.69594315E+03 F= 0.64262872E+03 E0= 0.67112432E+03 EK= 0.53314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303456590708E+03 0.98941E-01 -0.17574E-01 7968 0.234E+01 0.312E-01 RMM: 2 -0.303472728936E+03 -0.16138E-01 -0.10126E-01 5114 0.757E-01 0.112E+00 RMM: 3 -0.303463928251E+03 0.88007E-02 -0.12145E-02 5634 0.230E-01 0.215E-01 RMM: 4 -0.303463994032E+03 -0.65781E-04 -0.13463E-03 4715 0.855E-02 0.281E-01 RMM: 5 -0.303463555470E+03 0.43856E-03 -0.44123E-04 4444 0.547E-02 0.158E-01 RMM: 6 -0.303463429177E+03 0.12629E-03 -0.18938E-04 3893 0.360E-02 0.897E-02 RMM: 7 -0.303463478406E+03 -0.49230E-04 -0.97832E-05 3744 0.270E-02 0.128E-01 RMM: 8 -0.303463367741E+03 0.11067E-03 -0.50276E-05 3265 0.218E-02 0.334E-02 RMM: 9 -0.303463365259E+03 0.24815E-05 -0.13940E-05 2513 0.108E-02 4276 T= 6470. E= 0.69600144E+03 F= 0.64247575E+03 E0= 0.67097224E+03 EK= 0.53526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303522750586E+03 -0.59383E-01 -0.17936E-01 8124 0.235E+01 0.289E-01 RMM: 2 -0.303538296948E+03 -0.15546E-01 -0.10252E-01 5113 0.750E-01 0.106E+00 RMM: 3 -0.303530575920E+03 0.77210E-02 -0.11497E-02 5733 0.212E-01 0.228E-01 RMM: 4 -0.303530430057E+03 0.14586E-03 -0.12991E-03 4745 0.867E-02 0.245E-01 RMM: 5 -0.303530168901E+03 0.26116E-03 -0.44323E-04 4443 0.559E-02 0.176E-01 RMM: 6 -0.303529987449E+03 0.18145E-03 -0.18310E-04 3892 0.357E-02 0.821E-02 RMM: 7 -0.303530037904E+03 -0.50455E-04 -0.10786E-04 3815 0.285E-02 0.123E-01 RMM: 8 -0.303529936837E+03 0.10107E-03 -0.49670E-05 3273 0.217E-02 0.346E-02 RMM: 9 -0.303529933305E+03 0.35326E-05 -0.12159E-05 2501 0.100E-02 4277 T= 6501. E= 0.69594726E+03 F= 0.64216875E+03 E0= 0.67066066E+03 EK= 0.53779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303747927110E+03 -0.21799E+00 -0.18013E-01 7920 0.236E+01 0.283E-01 RMM: 2 -0.303763114573E+03 -0.15187E-01 -0.10507E-01 5092 0.751E-01 0.101E+00 RMM: 3 -0.303755923706E+03 0.71909E-02 -0.11700E-02 5737 0.218E-01 0.214E-01 RMM: 4 -0.303755849515E+03 0.74191E-04 -0.11837E-03 4714 0.816E-02 0.244E-01 RMM: 5 -0.303755519755E+03 0.32976E-03 -0.41488E-04 4382 0.537E-02 0.152E-01 RMM: 6 -0.303755411530E+03 0.10823E-03 -0.17448E-04 3884 0.349E-02 0.920E-02 RMM: 7 -0.303755451082E+03 -0.39552E-04 -0.98164E-05 3748 0.272E-02 0.123E-01 RMM: 8 -0.303755349589E+03 0.10149E-03 -0.50027E-05 3273 0.218E-02 0.350E-02 RMM: 9 -0.303755345511E+03 0.40777E-05 -0.12179E-05 2500 0.102E-02 4278 T= 6526. E= 0.69569163E+03 F= 0.64170731E+03 E0= 0.67018775E+03 EK= 0.53984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304098577923E+03 -0.34323E+00 -0.17979E-01 7788 0.237E+01 0.271E-01 RMM: 2 -0.304112951243E+03 -0.14373E-01 -0.10049E-01 5122 0.727E-01 0.979E-01 RMM: 3 -0.304106265441E+03 0.66858E-02 -0.10592E-02 5784 0.203E-01 0.221E-01 RMM: 4 -0.304106073570E+03 0.19187E-03 -0.11191E-03 4691 0.810E-02 0.221E-01 RMM: 5 -0.304105865681E+03 0.20789E-03 -0.42801E-04 4456 0.559E-02 0.167E-01 RMM: 6 -0.304105712401E+03 0.15328E-03 -0.16666E-04 3880 0.342E-02 0.833E-02 RMM: 7 -0.304105762651E+03 -0.50250E-04 -0.10235E-04 3763 0.281E-02 0.124E-01 RMM: 8 -0.304105660642E+03 0.10201E-03 -0.47948E-05 3252 0.215E-02 0.348E-02 RMM: 9 -0.304105656451E+03 0.41909E-05 -0.12104E-05 2499 0.994E-03 4279 T= 6532. E= 0.69516301E+03 F= 0.64112496E+03 E0= 0.66958745E+03 EK= 0.54038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304516535015E+03 -0.41087E+00 -0.18724E-01 7788 0.238E+01 0.277E-01 RMM: 2 -0.304532181064E+03 -0.15646E-01 -0.10571E-01 5084 0.747E-01 0.104E+00 RMM: 3 -0.304524496056E+03 0.76850E-02 -0.11467E-02 5726 0.217E-01 0.197E-01 RMM: 4 -0.304524438283E+03 0.57774E-04 -0.11292E-03 4712 0.791E-02 0.237E-01 RMM: 5 -0.304524119747E+03 0.31854E-03 -0.41873E-04 4499 0.551E-02 0.139E-01 RMM: 6 -0.304524041725E+03 0.78023E-04 -0.15594E-04 3877 0.324E-02 0.950E-02 RMM: 7 -0.304524062757E+03 -0.21032E-04 -0.87334E-05 3708 0.266E-02 0.113E-01 RMM: 8 -0.304523974387E+03 0.88370E-04 -0.41868E-05 3163 0.202E-02 0.307E-02 RMM: 9 -0.304523972815E+03 0.15711E-05 -0.12750E-05 2494 0.103E-02 4280 T= 6512. E= 0.69434664E+03 F= 0.64047808E+03 E0= 0.66891685E+03 EK= 0.53869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304945996721E+03 -0.42202E+00 -0.19080E-01 7908 0.239E+01 0.278E-01 RMM: 2 -0.304962731025E+03 -0.16734E-01 -0.10755E-01 5063 0.752E-01 0.110E+00 RMM: 3 -0.304954132211E+03 0.85988E-02 -0.11442E-02 5760 0.215E-01 0.207E-01 RMM: 4 -0.304954031060E+03 0.10115E-03 -0.11477E-03 4692 0.807E-02 0.237E-01 RMM: 5 -0.304953755973E+03 0.27509E-03 -0.42380E-04 4471 0.550E-02 0.157E-01 RMM: 6 -0.304953631584E+03 0.12439E-03 -0.17647E-04 3882 0.353E-02 0.887E-02 RMM: 7 -0.304953691735E+03 -0.60151E-04 -0.99236E-05 3765 0.276E-02 0.132E-01 RMM: 8 -0.304953572322E+03 0.11941E-03 -0.50345E-05 3280 0.218E-02 0.334E-02 RMM: 9 -0.304953568948E+03 0.33742E-05 -0.13090E-05 2506 0.103E-02 4281 T= 6465. E= 0.69330948E+03 F= 0.63982295E+03 E0= 0.66823468E+03 EK= 0.53487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305355918622E+03 -0.40235E+00 -0.19060E-01 7884 0.239E+01 0.285E-01 RMM: 2 -0.305372925730E+03 -0.17007E-01 -0.11304E-01 5026 0.767E-01 0.109E+00 RMM: 3 -0.305364460560E+03 0.84652E-02 -0.12339E-02 5709 0.226E-01 0.203E-01 RMM: 4 -0.305364474260E+03 -0.13700E-04 -0.11961E-03 4721 0.807E-02 0.259E-01 RMM: 5 -0.305364111494E+03 0.36277E-03 -0.38218E-04 4351 0.515E-02 0.154E-01 RMM: 6 -0.305363986812E+03 0.12468E-03 -0.17106E-04 3878 0.345E-02 0.844E-02 RMM: 7 -0.305364037476E+03 -0.50664E-04 -0.98067E-05 3764 0.274E-02 0.125E-01 RMM: 8 -0.305363930319E+03 0.10716E-03 -0.49384E-05 3255 0.216E-02 0.294E-02 RMM: 9 -0.305363929720E+03 0.59808E-06 -0.13190E-05 2504 0.104E-02 4282 T= 6407. E= 0.69219090E+03 F= 0.63918989E+03 E0= 0.66757385E+03 EK= 0.53001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305754727961E+03 -0.39080E+00 -0.18988E-01 7812 0.239E+01 0.293E-01 RMM: 2 -0.305772704641E+03 -0.17977E-01 -0.12110E-01 5044 0.795E-01 0.110E+00 RMM: 3 -0.305764033723E+03 0.86709E-02 -0.13373E-02 5796 0.228E-01 0.212E-01 RMM: 4 -0.305763953375E+03 0.80348E-04 -0.13122E-03 4786 0.858E-02 0.253E-01 RMM: 5 -0.305763613167E+03 0.34021E-03 -0.40199E-04 4343 0.519E-02 0.156E-01 RMM: 6 -0.305763486845E+03 0.12632E-03 -0.16712E-04 3888 0.345E-02 0.828E-02 RMM: 7 -0.305763555420E+03 -0.68574E-04 -0.10206E-04 3749 0.272E-02 0.135E-01 RMM: 8 -0.305763434674E+03 0.12075E-03 -0.53169E-05 3308 0.222E-02 0.351E-02 RMM: 9 -0.305763429745E+03 0.49284E-05 -0.12869E-05 2501 0.102E-02 4283 T= 6357. E= 0.69116008E+03 F= 0.63857064E+03 E0= 0.66692909E+03 EK= 0.52589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306189909425E+03 -0.42647E+00 -0.19177E-01 7812 0.238E+01 0.299E-01 RMM: 2 -0.306208322919E+03 -0.18413E-01 -0.12315E-01 5017 0.808E-01 0.113E+00 RMM: 3 -0.306199339112E+03 0.89838E-02 -0.13630E-02 5717 0.236E-01 0.223E-01 RMM: 4 -0.306199309162E+03 0.29950E-04 -0.13664E-03 4821 0.856E-02 0.265E-01 RMM: 5 -0.306198940510E+03 0.36865E-03 -0.38056E-04 4220 0.502E-02 0.162E-01 RMM: 6 -0.306198786037E+03 0.15447E-03 -0.16253E-04 3887 0.341E-02 0.750E-02 RMM: 7 -0.306198856042E+03 -0.70005E-04 -0.10626E-04 3792 0.275E-02 0.130E-01 RMM: 8 -0.306198740491E+03 0.11555E-03 -0.56433E-05 3322 0.230E-02 0.325E-02 RMM: 9 -0.306198737113E+03 0.33783E-05 -0.13443E-05 2506 0.106E-02 4284 T= 6338. E= 0.69035236E+03 F= 0.63791897E+03 E0= 0.66625606E+03 EK= 0.52433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306723677764E+03 -0.52494E+00 -0.19388E-01 7632 0.237E+01 0.291E-01 RMM: 2 -0.306742018300E+03 -0.18341E-01 -0.12477E-01 4949 0.822E-01 0.109E+00 RMM: 3 -0.306733439451E+03 0.85788E-02 -0.13840E-02 5737 0.235E-01 0.217E-01 RMM: 4 -0.306733318533E+03 0.12092E-03 -0.13601E-03 4846 0.870E-02 0.241E-01 RMM: 5 -0.306733003886E+03 0.31465E-03 -0.36895E-04 4199 0.497E-02 0.147E-01 RMM: 6 -0.306732890565E+03 0.11332E-03 -0.14532E-04 3880 0.326E-02 0.789E-02 RMM: 7 -0.306732950748E+03 -0.60182E-04 -0.98017E-05 3705 0.263E-02 0.128E-01 RMM: 8 -0.306732842802E+03 0.10795E-03 -0.51371E-05 3267 0.222E-02 0.339E-02 RMM: 9 -0.306732838115E+03 0.46862E-05 -0.11881E-05 2493 0.983E-03 4285 T= 6363. E= 0.68981358E+03 F= 0.63717249E+03 E0= 0.66549361E+03 EK= 0.52641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307401268091E+03 -0.66843E+00 -0.19936E-01 7740 0.238E+01 0.268E-01 RMM: 2 -0.307418603039E+03 -0.17335E-01 -0.12775E-01 4957 0.823E-01 0.991E-01 RMM: 3 -0.307411498048E+03 0.71050E-02 -0.13887E-02 5761 0.231E-01 0.204E-01 RMM: 4 -0.307411376815E+03 0.12123E-03 -0.11642E-03 4796 0.803E-02 0.234E-01 RMM: 5 -0.307411087621E+03 0.28919E-03 -0.35109E-04 4186 0.497E-02 0.147E-01 RMM: 6 -0.307410972812E+03 0.11481E-03 -0.15133E-04 3885 0.328E-02 0.805E-02 RMM: 7 -0.307411026559E+03 -0.53746E-04 -0.10253E-04 3767 0.272E-02 0.124E-01 RMM: 8 -0.307410921335E+03 0.10522E-03 -0.54131E-05 3294 0.227E-02 0.291E-02 RMM: 9 -0.307410920815E+03 0.51961E-06 -0.13014E-05 2498 0.103E-02 4286 T= 6429. E= 0.68946983E+03 F= 0.63628657E+03 E0= 0.66459686E+03 EK= 0.53183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308222047864E+03 -0.81113E+00 -0.21032E-01 8172 0.239E+01 0.233E-01 RMM: 2 -0.308238334148E+03 -0.16286E-01 -0.13840E-01 5024 0.845E-01 0.782E-01 RMM: 3 -0.308233457796E+03 0.48764E-02 -0.14354E-02 5913 0.221E-01 0.183E-01 RMM: 4 -0.308233206829E+03 0.25097E-03 -0.99521E-04 4788 0.776E-02 0.201E-01 RMM: 5 -0.308232947966E+03 0.25886E-03 -0.32490E-04 4176 0.495E-02 0.107E-01 RMM: 6 -0.308232959763E+03 -0.11797E-04 -0.14841E-04 3883 0.326E-02 4287 T= 6512. E= 0.68913615E+03 F= 0.63526149E+03 E0= 0.66356539E+03 EK= 0.53875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309140489304E+03 -0.90754E+00 -0.21484E-01 8652 0.241E+01 0.382E-01 RMM: 2 -0.309174303254E+03 -0.33814E-01 -0.13684E-01 5042 0.861E-01 0.183E+00 RMM: 3 -0.309150919442E+03 0.23384E-01 -0.18979E-02 5414 0.320E-01 0.346E-01 RMM: 4 -0.309150210967E+03 0.70847E-03 -0.20851E-03 5027 0.930E-02 0.180E-01 RMM: 5 -0.309150150105E+03 0.60862E-04 -0.52545E-04 4553 0.603E-02 0.196E-01 RMM: 6 -0.309149956172E+03 0.19393E-03 -0.29742E-04 3930 0.464E-02 0.114E-01 RMM: 7 -0.309150067480E+03 -0.11131E-03 -0.19997E-04 3901 0.383E-02 0.171E-01 RMM: 8 -0.309149879202E+03 0.18828E-03 -0.11042E-04 3806 0.312E-02 0.592E-02 RMM: 9 -0.309149863918E+03 0.15285E-04 -0.23242E-05 2718 0.142E-02 4288 T= 6579. E= 0.68857536E+03 F= 0.63414619E+03 E0= 0.66244576E+03 EK= 0.54429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310077507320E+03 -0.92763E+00 -0.22486E-01 8796 0.242E+01 0.340E-01 RMM: 2 -0.310112162115E+03 -0.34655E-01 -0.16024E-01 4974 0.921E-01 0.175E+00 RMM: 3 -0.310090535263E+03 0.21627E-01 -0.18806E-02 5411 0.315E-01 0.375E-01 RMM: 4 -0.310089552837E+03 0.98243E-03 -0.21916E-03 5134 0.996E-02 0.135E-01 RMM: 5 -0.310089528921E+03 0.23915E-04 -0.38238E-04 4173 0.502E-02 0.152E-01 RMM: 6 -0.310089393187E+03 0.13573E-03 -0.14999E-04 3879 0.331E-02 0.773E-02 RMM: 7 -0.310089470453E+03 -0.77266E-04 -0.12076E-04 3866 0.281E-02 0.133E-01 RMM: 8 -0.310089351555E+03 0.11890E-03 -0.70487E-05 3482 0.254E-02 0.342E-02 RMM: 9 -0.310089348342E+03 0.32130E-05 -0.12314E-05 2503 0.101E-02 4289 T= 6598. E= 0.68759341E+03 F= 0.63301240E+03 E0= 0.66130912E+03 EK= 0.54581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310968430805E+03 -0.87908E+00 -0.22844E-01 9000 0.242E+01 0.285E-01 RMM: 2 -0.310993164946E+03 -0.24734E-01 -0.15066E-01 5078 0.883E-01 0.130E+00 RMM: 3 -0.310980707223E+03 0.12458E-01 -0.15348E-02 5527 0.269E-01 0.255E-01 RMM: 4 -0.310980294527E+03 0.41270E-03 -0.13866E-03 4821 0.806E-02 0.162E-01 RMM: 5 -0.310980161907E+03 0.13262E-03 -0.38075E-04 4470 0.543E-02 0.137E-01 RMM: 6 -0.310980116139E+03 0.45768E-04 -0.17622E-04 3894 0.350E-02 0.117E-01 RMM: 7 -0.310980124578E+03 -0.84391E-05 -0.12235E-04 3895 0.305E-02 4290 T= 6554. E= 0.68614713E+03 F= 0.63193070E+03 E0= 0.66022354E+03 EK= 0.54216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311764879334E+03 -0.78476E+00 -0.23381E-01 8952 0.241E+01 0.265E-01 RMM: 2 -0.311783323467E+03 -0.18444E-01 -0.14696E-01 5208 0.855E-01 0.921E-01 RMM: 3 -0.311776909797E+03 0.64137E-02 -0.13157E-02 5773 0.228E-01 0.221E-01 RMM: 4 -0.311776647243E+03 0.26255E-03 -0.10633E-03 4755 0.772E-02 0.207E-01 RMM: 5 -0.311776401296E+03 0.24595E-03 -0.44162E-04 4517 0.571E-02 0.136E-01 RMM: 6 -0.311776407730E+03 -0.64334E-05 -0.24282E-04 3904 0.405E-02 0.142E-01 RMM: 7 -0.311776401742E+03 0.59880E-05 -0.12917E-04 3883 0.329E-02 4291 T= 6460. E= 0.68438450E+03 F= 0.63094630E+03 E0= 0.65923426E+03 EK= 0.53438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312457979532E+03 -0.68157E+00 -0.23667E-01 8976 0.240E+01 0.249E-01 RMM: 2 -0.312475887994E+03 -0.17908E-01 -0.14625E-01 5107 0.852E-01 0.863E-01 RMM: 3 -0.312470048470E+03 0.58395E-02 -0.13943E-02 5800 0.233E-01 0.215E-01 RMM: 4 -0.312469733987E+03 0.31448E-03 -0.99917E-04 4734 0.726E-02 0.178E-01 RMM: 5 -0.312469594272E+03 0.13971E-03 -0.31553E-04 4139 0.475E-02 0.141E-01 RMM: 6 -0.312469510748E+03 0.83524E-04 -0.17970E-04 3888 0.363E-02 0.924E-02 RMM: 7 -0.312469580293E+03 -0.69545E-04 -0.10196E-04 3797 0.273E-02 0.137E-01 RMM: 8 -0.312469454305E+03 0.12599E-03 -0.52443E-05 3312 0.221E-02 0.338E-02 RMM: 9 -0.312469454900E+03 -0.59517E-06 -0.17673E-05 2522 0.122E-02 4292 T= 6349. E= 0.68259135E+03 F= 0.63006773E+03 E0= 0.65835009E+03 EK= 0.52524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313076845803E+03 -0.60739E+00 -0.24439E-01 8868 0.238E+01 0.233E-01 RMM: 2 -0.313096385226E+03 -0.19539E-01 -0.16616E-01 5090 0.910E-01 0.818E-01 RMM: 3 -0.313090856232E+03 0.55290E-02 -0.15289E-02 5929 0.234E-01 0.167E-01 RMM: 4 -0.313090720041E+03 0.13619E-03 -0.10595E-03 4819 0.784E-02 0.216E-01 RMM: 5 -0.313090450863E+03 0.26918E-03 -0.25937E-04 3914 0.421E-02 0.114E-01 RMM: 6 -0.313090394376E+03 0.56487E-04 -0.10743E-04 3801 0.286E-02 0.735E-02 RMM: 7 -0.313090447247E+03 -0.52871E-04 -0.79396E-05 3591 0.239E-02 0.116E-01 RMM: 8 -0.313090359513E+03 0.87734E-04 -0.48897E-05 3214 0.217E-02 0.258E-02 RMM: 9 -0.313090359988E+03 -0.47511E-06 -0.11364E-05 2484 0.964E-03 4293 T= 6263. E= 0.68107853E+03 F= 0.62926427E+03 E0= 0.65753916E+03 EK= 0.51814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313695368285E+03 -0.60501E+00 -0.23580E-01 9048 0.237E+01 0.261E-01 RMM: 2 -0.313711822332E+03 -0.16454E-01 -0.15021E-01 5056 0.873E-01 0.706E-01 RMM: 3 -0.313707688469E+03 0.41339E-02 -0.14396E-02 5908 0.232E-01 0.200E-01 RMM: 4 -0.313707691765E+03 -0.32958E-05 -0.11821E-03 4852 0.831E-02 0.275E-01 RMM: 5 -0.313707190480E+03 0.50129E-03 -0.35722E-04 4024 0.477E-02 0.109E-01 RMM: 6 -0.313707155743E+03 0.34736E-04 -0.11931E-04 3840 0.296E-02 0.890E-02 RMM: 7 -0.313707192115E+03 -0.36371E-04 -0.91690E-05 3754 0.253E-02 0.120E-01 RMM: 8 -0.313707093602E+03 0.98512E-04 -0.49616E-05 3262 0.213E-02 0.285E-02 RMM: 9 -0.313707091715E+03 0.18874E-05 -0.12743E-05 2492 0.103E-02 4294 T= 6237. E= 0.68006802E+03 F= 0.62846874E+03 E0= 0.65673580E+03 EK= 0.51599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314398420257E+03 -0.69133E+00 -0.21757E-01 8928 0.237E+01 0.293E-01 RMM: 2 -0.314420401960E+03 -0.21982E-01 -0.15382E-01 4911 0.910E-01 0.112E+00 RMM: 3 -0.314411031644E+03 0.93703E-02 -0.16630E-02 5719 0.262E-01 0.225E-01 RMM: 4 -0.314410855236E+03 0.17641E-03 -0.15409E-03 4956 0.900E-02 0.235E-01 RMM: 5 -0.314410556076E+03 0.29916E-03 -0.32414E-04 3922 0.438E-02 0.140E-01 RMM: 6 -0.314410444112E+03 0.11196E-03 -0.11244E-04 3788 0.295E-02 0.688E-02 RMM: 7 -0.314410505967E+03 -0.61855E-04 -0.10181E-04 3813 0.263E-02 0.121E-01 RMM: 8 -0.314410407588E+03 0.98379E-04 -0.59959E-05 3359 0.231E-02 0.359E-02 RMM: 9 -0.314410401045E+03 0.65436E-05 -0.12822E-05 2495 0.105E-02 4295 T= 6289. E= 0.67961653E+03 F= 0.62759139E+03 E0= 0.65585106E+03 EK= 0.52025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315272771703E+03 -0.86236E+00 -0.19818E-01 8340 0.238E+01 0.247E-01 RMM: 2 -0.315290350166E+03 -0.17578E-01 -0.14849E-01 4969 0.894E-01 0.800E-01 RMM: 3 -0.315285393772E+03 0.49564E-02 -0.15720E-02 5827 0.241E-01 0.213E-01 RMM: 4 -0.315285193787E+03 0.19998E-03 -0.11879E-03 4901 0.822E-02 0.223E-01 RMM: 5 -0.315284906253E+03 0.28753E-03 -0.27983E-04 3910 0.417E-02 0.126E-01 RMM: 6 -0.315284824237E+03 0.82016E-04 -0.11206E-04 3781 0.296E-02 0.706E-02 RMM: 7 -0.315284884780E+03 -0.60542E-04 -0.88084E-05 3687 0.254E-02 0.121E-01 RMM: 8 -0.315284787325E+03 0.97454E-04 -0.48631E-05 3225 0.216E-02 0.321E-02 RMM: 9 -0.315284782958E+03 0.43670E-05 -0.12331E-05 2491 0.102E-02 4296 T= 6410. E= 0.67957990E+03 F= 0.62654857E+03 E0= 0.65480146E+03 EK= 0.53031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316350308830E+03 -0.10655E+01 -0.18865E-01 7824 0.241E+01 0.235E-01 RMM: 2 -0.316367622957E+03 -0.17314E-01 -0.13185E-01 4863 0.854E-01 0.910E-01 RMM: 3 -0.316361483388E+03 0.61396E-02 -0.15036E-02 5868 0.233E-01 0.176E-01 RMM: 4 -0.316361283176E+03 0.20021E-03 -0.10587E-03 4831 0.776E-02 0.198E-01 RMM: 5 -0.316361077669E+03 0.20551E-03 -0.26499E-04 3929 0.431E-02 0.123E-01 RMM: 6 -0.316361000324E+03 0.77345E-04 -0.10744E-04 3754 0.288E-02 0.705E-02 RMM: 7 -0.316361024263E+03 -0.23939E-04 -0.68224E-05 3465 0.236E-02 0.967E-02 RMM: 8 -0.316360961673E+03 0.62590E-04 -0.35968E-05 3053 0.195E-02 0.269E-02 RMM: 9 -0.316360961413E+03 0.25937E-06 -0.10775E-05 2476 0.950E-03 4297 T= 6565. E= 0.67962328E+03 F= 0.62530993E+03 E0= 0.65355712E+03 EK= 0.54313E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317580161763E+03 -0.12192E+01 -0.18255E-01 7788 0.244E+01 0.213E-01 RMM: 2 -0.317592788174E+03 -0.12626E-01 -0.10285E-01 4838 0.773E-01 0.762E-01 RMM: 3 -0.317588761390E+03 0.40268E-02 -0.11979E-02 5844 0.209E-01 0.153E-01 RMM: 4 -0.317588584464E+03 0.17693E-03 -0.77298E-04 4674 0.668E-02 0.163E-01 RMM: 5 -0.317588417034E+03 0.16743E-03 -0.25225E-04 3950 0.441E-02 0.982E-02 RMM: 6 -0.317588411332E+03 0.57019E-05 -0.12575E-04 3824 0.305E-02 4298 T= 6694. E= 0.67929918E+03 F= 0.62392572E+03 E0= 0.65216777E+03 EK= 0.55373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318840460002E+03 -0.12520E+01 -0.18334E-01 7800 0.246E+01 0.339E-01 RMM: 2 -0.318869259574E+03 -0.28800E-01 -0.10709E-01 4978 0.813E-01 0.174E+00 RMM: 3 -0.318848668018E+03 0.20592E-01 -0.15337E-02 5379 0.292E-01 0.294E-01 RMM: 4 -0.318848144865E+03 0.52315E-03 -0.16451E-03 4799 0.821E-02 0.147E-01 RMM: 5 -0.318848091586E+03 0.53279E-04 -0.39207E-04 4410 0.536E-02 0.162E-01 RMM: 6 -0.318847953810E+03 0.13778E-03 -0.23480E-04 3893 0.421E-02 0.953E-02 RMM: 7 -0.318848026267E+03 -0.72457E-04 -0.14586E-04 3879 0.331E-02 0.144E-01 RMM: 8 -0.318847884908E+03 0.14136E-03 -0.75502E-05 3542 0.263E-02 0.390E-02 RMM: 9 -0.318847884146E+03 0.76177E-06 -0.17913E-05 2557 0.125E-02 4299 T= 6734. E= 0.67822324E+03 F= 0.62251437E+03 E0= 0.65075159E+03 EK= 0.55709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319994841237E+03 -0.11470E+01 -0.18893E-01 7956 0.246E+01 0.316E-01 RMM: 2 -0.320027045278E+03 -0.32204E-01 -0.11965E-01 4934 0.851E-01 0.180E+00 RMM: 3 -0.320004458302E+03 0.22587E-01 -0.16192E-02 5407 0.294E-01 0.272E-01 RMM: 4 -0.320003960086E+03 0.49822E-03 -0.17175E-03 4890 0.848E-02 0.144E-01 RMM: 5 -0.320003895792E+03 0.64294E-04 -0.30400E-04 4088 0.468E-02 0.135E-01 RMM: 6 -0.320003772628E+03 0.12316E-03 -0.13234E-04 3870 0.316E-02 0.644E-02 RMM: 7 -0.320003808332E+03 -0.35705E-04 -0.88876E-05 3729 0.255E-02 0.104E-01 RMM: 8 -0.320003735124E+03 0.73209E-04 -0.44422E-05 3165 0.208E-02 0.263E-02 RMM: 9 -0.320003739176E+03 -0.40520E-05 -0.14002E-05 2500 0.107E-02 4300 T= 6658. E= 0.67629008E+03 F= 0.62121043E+03 E0= 0.64944266E+03 EK= 0.55080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320952108932E+03 -0.94837E+00 -0.19108E-01 8304 0.244E+01 0.256E-01 RMM: 2 -0.320970031400E+03 -0.17922E-01 -0.12704E-01 4909 0.861E-01 0.103E+00 RMM: 3 -0.320962694111E+03 0.73373E-02 -0.15052E-02 5699 0.249E-01 0.207E-01 RMM: 4 -0.320962357705E+03 0.33641E-03 -0.10506E-03 4778 0.709E-02 0.155E-01 RMM: 5 -0.320962199643E+03 0.15806E-03 -0.25103E-04 4004 0.446E-02 0.108E-01 RMM: 6 -0.320962191157E+03 0.84861E-05 -0.14041E-04 3875 0.322E-02 4301 T= 6487. E= 0.67377275E+03 F= 0.62010677E+03 E0= 0.64833378E+03 EK= 0.53666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321682054406E+03 -0.71985E+00 -0.18854E-01 8064 0.240E+01 0.400E-01 RMM: 2 -0.321720546920E+03 -0.38493E-01 -0.12790E-01 4890 0.858E-01 0.203E+00 RMM: 3 -0.321691706810E+03 0.28840E-01 -0.20575E-02 5379 0.340E-01 0.338E-01 RMM: 4 -0.321691027193E+03 0.67962E-03 -0.22869E-03 5144 0.942E-02 0.173E-01 RMM: 5 -0.321690980805E+03 0.46388E-04 -0.43734E-04 4259 0.529E-02 0.191E-01 RMM: 6 -0.321690757819E+03 0.22299E-03 -0.23991E-04 3893 0.424E-02 0.959E-02 RMM: 7 -0.321690853581E+03 -0.95762E-04 -0.17756E-04 3885 0.355E-02 0.154E-01 RMM: 8 -0.321690689219E+03 0.16436E-03 -0.91653E-05 3690 0.287E-02 0.437E-02 RMM: 9 -0.321690684972E+03 0.42467E-05 -0.21757E-05 2637 0.138E-02 4302 T= 6282. E= 0.67120862E+03 F= 0.61923561E+03 E0= 0.64745725E+03 EK= 0.51973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322193872169E+03 -0.50318E+00 -0.18775E-01 7800 0.236E+01 0.362E-01 RMM: 2 -0.322232054099E+03 -0.38182E-01 -0.14664E-01 4708 0.919E-01 0.195E+00 RMM: 3 -0.322205357128E+03 0.26697E-01 -0.20447E-02 5389 0.333E-01 0.335E-01 RMM: 4 -0.322204582362E+03 0.77477E-03 -0.23326E-03 5253 0.981E-02 0.134E-01 RMM: 5 -0.322204592087E+03 -0.97249E-05 -0.33637E-04 3915 0.432E-02 0.159E-01 RMM: 6 -0.322204421149E+03 0.17094E-03 -0.12665E-04 3871 0.314E-02 0.538E-02 RMM: 7 -0.322204456580E+03 -0.35431E-04 -0.71625E-05 3486 0.222E-02 0.957E-02 RMM: 8 -0.322204397967E+03 0.58613E-04 -0.43955E-05 3121 0.211E-02 0.369E-02 RMM: 9 -0.322204390619E+03 0.73479E-05 -0.11668E-05 2492 0.100E-02 4303 T= 6115. E= 0.66916671E+03 F= 0.61858221E+03 E0= 0.64679706E+03 EK= 0.50584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322533777108E+03 -0.32938E+00 -0.18187E-01 7740 0.233E+01 0.260E-01 RMM: 2 -0.322553009645E+03 -0.19233E-01 -0.12445E-01 4733 0.838E-01 0.112E+00 RMM: 3 -0.322544170237E+03 0.88394E-02 -0.15280E-02 5670 0.250E-01 0.206E-01 RMM: 4 -0.322543920359E+03 0.24988E-03 -0.12308E-03 4808 0.786E-02 0.190E-01 RMM: 5 -0.322543740721E+03 0.17964E-03 -0.28604E-04 3971 0.442E-02 0.133E-01 RMM: 6 -0.322543644892E+03 0.95829E-04 -0.12186E-04 3835 0.304E-02 0.733E-02 RMM: 7 -0.322543702636E+03 -0.57744E-04 -0.10331E-04 3843 0.272E-02 0.122E-01 RMM: 8 -0.322543599553E+03 0.10308E-03 -0.52860E-05 3321 0.222E-02 0.314E-02 RMM: 9 -0.322543596562E+03 0.29907E-05 -0.12448E-05 2500 0.104E-02 4304 T= 6038. E= 0.66805620E+03 F= 0.61810737E+03 E0= 0.64631396E+03 EK= 0.49949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322739588260E+03 -0.19599E+00 -0.17955E-01 8136 0.232E+01 0.237E-01 RMM: 2 -0.322755637078E+03 -0.16049E-01 -0.11344E-01 4691 0.815E-01 0.973E-01 RMM: 3 -0.322749082150E+03 0.65549E-02 -0.14200E-02 5761 0.237E-01 0.168E-01 RMM: 4 -0.322748873223E+03 0.20893E-03 -0.96065E-04 4798 0.697E-02 0.167E-01 RMM: 5 -0.322748719574E+03 0.15365E-03 -0.20880E-04 3902 0.392E-02 0.108E-01 RMM: 6 -0.322748659813E+03 0.59761E-04 -0.96692E-05 3666 0.273E-02 0.637E-02 RMM: 7 -0.322748697550E+03 -0.37738E-04 -0.62426E-05 3410 0.223E-02 0.105E-01 RMM: 8 -0.322748621934E+03 0.75616E-04 -0.38274E-05 3046 0.196E-02 0.230E-02 RMM: 9 -0.322748622426E+03 -0.49190E-06 -0.11370E-05 2480 0.990E-03 4305 T= 6077. E= 0.66804417E+03 F= 0.61777223E+03 E0= 0.64596847E+03 EK= 0.50272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322836158156E+03 -0.87536E-01 -0.19158E-01 7680 0.234E+01 0.190E-01 RMM: 2 -0.322852822229E+03 -0.16664E-01 -0.15114E-01 4688 0.936E-01 0.651E-01 RMM: 3 -0.322849613576E+03 0.32087E-02 -0.17682E-02 6114 0.234E-01 0.143E-01 RMM: 4 -0.322849310492E+03 0.30308E-03 -0.89023E-04 4832 0.763E-02 0.174E-01 RMM: 5 -0.322849116260E+03 0.19423E-03 -0.21374E-04 3944 0.417E-02 0.785E-02 RMM: 6 -0.322849117853E+03 -0.15927E-05 -0.75482E-05 3501 0.240E-02 4306 T= 6224. E= 0.66903722E+03 F= 0.61754846E+03 E0= 0.64573261E+03 EK= 0.51489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322852882455E+03 -0.37662E-02 -0.17987E-01 7716 0.237E+01 0.302E-01 RMM: 2 -0.322877539576E+03 -0.24657E-01 -0.12607E-01 4774 0.860E-01 0.142E+00 RMM: 3 -0.322863335113E+03 0.14204E-01 -0.17368E-02 5449 0.288E-01 0.255E-01 RMM: 4 -0.322862903642E+03 0.43147E-03 -0.15255E-03 5024 0.784E-02 0.139E-01 RMM: 5 -0.322862844095E+03 0.59547E-04 -0.30007E-04 4097 0.465E-02 0.139E-01 RMM: 6 -0.322862735234E+03 0.10886E-03 -0.15457E-04 3873 0.342E-02 0.760E-02 RMM: 7 -0.322862792932E+03 -0.57698E-04 -0.98384E-05 3738 0.272E-02 0.123E-01 RMM: 8 -0.322862692090E+03 0.10084E-03 -0.52770E-05 3309 0.227E-02 0.388E-02 RMM: 9 -0.322862685986E+03 0.61041E-05 -0.15296E-05 2521 0.118E-02 4307 T= 6438. E= 0.67068029E+03 F= 0.61741929E+03 E0= 0.64559038E+03 EK= 0.53261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322781707726E+03 0.80984E-01 -0.22452E-01 7560 0.241E+01 0.254E-01 RMM: 2 -0.322811904046E+03 -0.30196E-01 -0.21289E-01 4665 0.111E+00 0.123E+00 RMM: 3 -0.322800352499E+03 0.11552E-01 -0.24158E-02 5688 0.306E-01 0.268E-01 RMM: 4 -0.322799605912E+03 0.74659E-03 -0.16333E-03 5193 0.895E-02 0.111E-01 RMM: 5 -0.322799563322E+03 0.42590E-04 -0.26034E-04 3925 0.406E-02 0.105E-01 RMM: 6 -0.322799498543E+03 0.64780E-04 -0.83170E-05 3617 0.249E-02 0.552E-02 RMM: 7 -0.322799529050E+03 -0.30507E-04 -0.56336E-05 3310 0.203E-02 0.932E-02 RMM: 8 -0.322799470878E+03 0.58172E-04 -0.38614E-05 3009 0.202E-02 0.259E-02 RMM: 9 -0.322799468556E+03 0.23221E-05 -0.97341E-06 2472 0.906E-03 4308 T= 6651. E= 0.67239927E+03 F= 0.61737468E+03 E0= 0.64553229E+03 EK= 0.55025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322662991839E+03 0.13648E+00 -0.19063E-01 7704 0.244E+01 0.224E-01 RMM: 2 -0.322680102938E+03 -0.17111E-01 -0.11579E-01 4781 0.814E-01 0.100E+00 RMM: 3 -0.322672931979E+03 0.71710E-02 -0.13995E-02 5650 0.237E-01 0.183E-01 RMM: 4 -0.322672642058E+03 0.28992E-03 -0.90920E-04 4721 0.687E-02 0.131E-01 RMM: 5 -0.322672566960E+03 0.75099E-04 -0.19764E-04 3918 0.394E-02 0.110E-01 RMM: 6 -0.322672505049E+03 0.61911E-04 -0.85373E-05 3598 0.257E-02 0.665E-02 RMM: 7 -0.322672527098E+03 -0.22049E-04 -0.73723E-05 3607 0.244E-02 0.936E-02 RMM: 8 -0.322672467173E+03 0.59925E-04 -0.37754E-05 3053 0.195E-02 0.293E-02 RMM: 9 -0.322672465971E+03 0.12024E-05 -0.11724E-05 2483 0.100E-02 4309 T= 6788. E= 0.67355355E+03 F= 0.61740115E+03 E0= 0.64554742E+03 EK= 0.56152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322501995160E+03 0.17047E+00 -0.18517E-01 7656 0.245E+01 0.204E-01 RMM: 2 -0.322514464236E+03 -0.12469E-01 -0.94573E-02 4860 0.745E-01 0.803E-01 RMM: 3 -0.322509926876E+03 0.45374E-02 -0.11285E-02 5625 0.217E-01 0.148E-01 RMM: 4 -0.322509801205E+03 0.12567E-03 -0.68273E-04 4695 0.595E-02 0.145E-01 RMM: 5 -0.322509661076E+03 0.14013E-03 -0.15242E-04 3896 0.355E-02 0.815E-02 RMM: 6 -0.322509641605E+03 0.19470E-04 -0.72593E-05 3466 0.235E-02 4310 T= 6797. E= 0.67369604E+03 F= 0.61746989E+03 E0= 0.64560743E+03 EK= 0.56226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322351728593E+03 0.15793E+00 -0.18205E-01 7500 0.244E+01 0.303E-01 RMM: 2 -0.322376693524E+03 -0.24965E-01 -0.87522E-02 5007 0.721E-01 0.161E+00 RMM: 3 -0.322358417998E+03 0.18276E-01 -0.12837E-02 5382 0.265E-01 0.223E-01 RMM: 4 -0.322358171659E+03 0.24634E-03 -0.12538E-03 4708 0.732E-02 0.153E-01 RMM: 5 -0.322358119953E+03 0.51705E-04 -0.22892E-04 3939 0.407E-02 0.155E-01 RMM: 6 -0.322357962718E+03 0.15724E-03 -0.12833E-04 3865 0.315E-02 0.624E-02 RMM: 7 -0.322358025734E+03 -0.63016E-04 -0.10523E-04 3842 0.282E-02 0.119E-01 RMM: 8 -0.322357925532E+03 0.10020E-03 -0.54598E-05 3332 0.228E-02 0.272E-02 RMM: 9 -0.322357925394E+03 0.13766E-06 -0.12388E-05 2501 0.105E-02 4311 T= 6680. E= 0.67279458E+03 F= 0.61753309E+03 E0= 0.64566650E+03 EK= 0.55261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322270356146E+03 0.87569E-01 -0.17875E-01 7764 0.241E+01 0.296E-01 RMM: 2 -0.322294978631E+03 -0.24622E-01 -0.97565E-02 4821 0.781E-01 0.156E+00 RMM: 3 -0.322278065266E+03 0.16913E-01 -0.14100E-02 5379 0.280E-01 0.273E-01 RMM: 4 -0.322277601688E+03 0.46358E-03 -0.14636E-03 4905 0.814E-02 0.124E-01 RMM: 5 -0.322277610833E+03 -0.91451E-05 -0.22194E-04 3902 0.388E-02 0.143E-01 RMM: 6 -0.322277463287E+03 0.14755E-03 -0.83896E-05 3591 0.265E-02 0.382E-02 RMM: 7 -0.322277484213E+03 -0.20926E-04 -0.41892E-05 3036 0.189E-02 0.731E-02 RMM: 8 -0.322277447859E+03 0.36354E-04 -0.31570E-05 2678 0.179E-02 0.220E-02 RMM: 9 -0.322277446328E+03 0.15310E-05 -0.94190E-06 2458 0.898E-03 4312 T= 6491. E= 0.67123205E+03 F= 0.61753011E+03 E0= 0.64566260E+03 EK= 0.53702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322320228821E+03 -0.42781E-01 -0.17656E-01 7476 0.238E+01 0.235E-01 RMM: 2 -0.322334340144E+03 -0.14111E-01 -0.92575E-02 4888 0.748E-01 0.962E-01 RMM: 3 -0.322327875627E+03 0.64645E-02 -0.11001E-02 5531 0.219E-01 0.184E-01 RMM: 4 -0.322327739880E+03 0.13575E-03 -0.91123E-04 4681 0.701E-02 0.163E-01 RMM: 5 -0.322327598503E+03 0.14138E-03 -0.17203E-04 3890 0.332E-02 0.111E-01 RMM: 6 -0.322327523269E+03 0.75234E-04 -0.68156E-05 3423 0.239E-02 0.522E-02 RMM: 7 -0.322327565544E+03 -0.42274E-04 -0.70745E-05 3579 0.232E-02 0.998E-02 RMM: 8 -0.322327497139E+03 0.68405E-04 -0.39793E-05 3033 0.196E-02 0.281E-02 RMM: 9 -0.322327493111E+03 0.40277E-05 -0.10662E-05 2468 0.962E-03 4313 T= 6308. E= 0.66958385E+03 F= 0.61740154E+03 E0= 0.64553546E+03 EK= 0.52182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322544856831E+03 -0.21736E+00 -0.17384E-01 7500 0.235E+01 0.200E-01 RMM: 2 -0.322555904741E+03 -0.11048E-01 -0.93161E-02 4885 0.743E-01 0.673E-01 RMM: 3 -0.322552767742E+03 0.31370E-02 -0.10901E-02 5824 0.197E-01 0.132E-01 RMM: 4 -0.322552706353E+03 0.61389E-04 -0.64856E-04 4672 0.626E-02 0.183E-01 RMM: 5 -0.322552488609E+03 0.21774E-03 -0.14740E-04 3873 0.327E-02 0.854E-02 RMM: 6 -0.322552450450E+03 0.38159E-04 -0.57441E-05 3312 0.220E-02 0.510E-02 RMM: 7 -0.322552474081E+03 -0.23631E-04 -0.50747E-05 3177 0.207E-02 0.862E-02 RMM: 8 -0.322552421926E+03 0.52155E-04 -0.29942E-05 2705 0.172E-02 0.170E-02 RMM: 9 -0.322552422817E+03 -0.89179E-06 -0.10097E-05 2456 0.927E-03 4314 T= 6195. E= 0.66835426E+03 F= 0.61710338E+03 E0= 0.64523839E+03 EK= 0.51251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322961775994E+03 -0.40935E+00 -0.17322E-01 7356 0.235E+01 0.198E-01 RMM: 2 -0.322973737562E+03 -0.11962E-01 -0.99045E-02 4868 0.763E-01 0.707E-01 RMM: 3 -0.322970237443E+03 0.35001E-02 -0.11479E-02 5848 0.198E-01 0.149E-01 RMM: 4 -0.322970067301E+03 0.17014E-03 -0.71137E-04 4676 0.662E-02 0.160E-01 RMM: 5 -0.322969903491E+03 0.16381E-03 -0.14778E-04 3871 0.323E-02 0.805E-02 RMM: 6 -0.322969873306E+03 0.30185E-04 -0.52566E-05 3241 0.214E-02 0.516E-02 RMM: 7 -0.322969894685E+03 -0.21380E-04 -0.46818E-05 3106 0.200E-02 0.830E-02 RMM: 8 -0.322969847492E+03 0.47194E-04 -0.30092E-05 2749 0.175E-02 0.206E-02 RMM: 9 -0.322969846702E+03 0.78917E-06 -0.91064E-06 2453 0.875E-03 4315 T= 6189. E= 0.66782184E+03 F= 0.61661857E+03 E0= 0.64475183E+03 EK= 0.51203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323556106527E+03 -0.58626E+00 -0.17891E-01 7572 0.237E+01 0.205E-01 RMM: 2 -0.323568261230E+03 -0.12155E-01 -0.91614E-02 4881 0.740E-01 0.808E-01 RMM: 3 -0.323563784228E+03 0.44770E-02 -0.10804E-02 5763 0.199E-01 0.139E-01 RMM: 4 -0.323563656931E+03 0.12730E-03 -0.67301E-04 4656 0.624E-02 0.155E-01 RMM: 5 -0.323563506541E+03 0.15039E-03 -0.13953E-04 3862 0.312E-02 0.874E-02 RMM: 6 -0.323563466345E+03 0.40196E-04 -0.61186E-05 3369 0.225E-02 0.526E-02 RMM: 7 -0.323563492963E+03 -0.26617E-04 -0.48600E-05 3137 0.206E-02 0.878E-02 RMM: 8 -0.323563438749E+03 0.54213E-04 -0.31694E-05 2820 0.179E-02 0.193E-02 RMM: 9 -0.323563439140E+03 -0.39116E-06 -0.10120E-05 2460 0.928E-03 4316 T= 6289. E= 0.66799300E+03 F= 0.61596399E+03 E0= 0.64409042E+03 EK= 0.52029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324275720707E+03 -0.71228E+00 -0.18745E-01 7680 0.240E+01 0.183E-01 RMM: 2 -0.324286800136E+03 -0.11079E-01 -0.93854E-02 4902 0.742E-01 0.661E-01 RMM: 3 -0.324283756372E+03 0.30438E-02 -0.10714E-02 5890 0.187E-01 0.134E-01 RMM: 4 -0.324283592175E+03 0.16420E-03 -0.62686E-04 4596 0.629E-02 0.148E-01 RMM: 5 -0.324283449300E+03 0.14288E-03 -0.13537E-04 3853 0.319E-02 0.764E-02 RMM: 6 -0.324283427320E+03 0.21979E-04 -0.55868E-05 3294 0.216E-02 0.570E-02 RMM: 7 -0.324283438039E+03 -0.10718E-04 -0.40389E-05 2953 0.194E-02 4317 T= 6457. E= 0.66860995E+03 F= 0.61518968E+03 E0= 0.64330275E+03 EK= 0.53420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325041738649E+03 -0.75831E+00 -0.19004E-01 7716 0.244E+01 0.201E-01 RMM: 2 -0.325054103046E+03 -0.12364E-01 -0.10215E-01 4896 0.787E-01 0.739E-01 RMM: 3 -0.325050523481E+03 0.35796E-02 -0.11919E-02 5818 0.202E-01 0.161E-01 RMM: 4 -0.325050284222E+03 0.23926E-03 -0.73985E-04 4722 0.660E-02 0.139E-01 RMM: 5 -0.325050152343E+03 0.13188E-03 -0.14981E-04 3883 0.332E-02 0.760E-02 RMM: 6 -0.325050141267E+03 0.11076E-04 -0.60086E-05 3341 0.222E-02 4318 T= 6629. E= 0.66921241E+03 F= 0.61437535E+03 E0= 0.64246862E+03 EK= 0.54837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325754807494E+03 -0.70466E+00 -0.20183E-01 7572 0.247E+01 0.296E-01 RMM: 2 -0.325778607965E+03 -0.23800E-01 -0.12833E-01 4814 0.869E-01 0.138E+00 RMM: 3 -0.325765309508E+03 0.13298E-01 -0.16718E-02 5408 0.285E-01 0.228E-01 RMM: 4 -0.325764972555E+03 0.33695E-03 -0.14894E-03 4887 0.763E-02 0.129E-01 RMM: 5 -0.325764915857E+03 0.56698E-04 -0.23214E-04 3919 0.396E-02 0.120E-01 RMM: 6 -0.325764823546E+03 0.92311E-04 -0.10100E-04 3769 0.283E-02 0.538E-02 RMM: 7 -0.325764854397E+03 -0.30851E-04 -0.55742E-05 3310 0.217E-02 0.902E-02 RMM: 8 -0.325764800164E+03 0.54233E-04 -0.31969E-05 2819 0.178E-02 0.376E-02 RMM: 9 -0.325764792570E+03 0.75949E-05 -0.15422E-05 2501 0.121E-02 4319 T= 6730. E= 0.66929271E+03 F= 0.61361949E+03 E0= 0.64168882E+03 EK= 0.55673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326322253511E+03 -0.55745E+00 -0.19039E-01 7776 0.248E+01 0.295E-01 RMM: 2 -0.326344753007E+03 -0.22499E-01 -0.93828E-02 4888 0.768E-01 0.149E+00 RMM: 3 -0.326329639275E+03 0.15114E-01 -0.12934E-02 5377 0.266E-01 0.283E-01 RMM: 4 -0.326329081666E+03 0.55761E-03 -0.14612E-03 4781 0.811E-02 0.112E-01 RMM: 5 -0.326329068425E+03 0.13241E-04 -0.21551E-04 3868 0.385E-02 0.120E-01 RMM: 6 -0.326328967722E+03 0.10070E-03 -0.66650E-05 3435 0.237E-02 0.380E-02 RMM: 7 -0.326328985357E+03 -0.17635E-04 -0.39038E-05 2970 0.180E-02 4320 T= 6711. E= 0.66853787E+03 F= 0.61302020E+03 E0= 0.64106299E+03 EK= 0.55518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326658882683E+03 -0.32991E+00 -0.19012E-01 7764 0.247E+01 0.207E-01 RMM: 2 -0.326670971337E+03 -0.12089E-01 -0.82526E-02 4897 0.704E-01 0.874E-01 RMM: 3 -0.326665814805E+03 0.51565E-02 -0.99088E-03 5565 0.204E-01 0.173E-01 RMM: 4 -0.326665636643E+03 0.17816E-03 -0.74146E-04 4646 0.609E-02 0.129E-01 RMM: 5 -0.326665551767E+03 0.84875E-04 -0.15273E-04 3872 0.326E-02 0.100E-01 RMM: 6 -0.326665496020E+03 0.55747E-04 -0.72836E-05 3490 0.241E-02 0.558E-02 RMM: 7 -0.326665534079E+03 -0.38059E-04 -0.57472E-05 3341 0.218E-02 0.985E-02 RMM: 8 -0.326665468572E+03 0.65508E-04 -0.34429E-05 2952 0.189E-02 0.256E-02 RMM: 9 -0.326665466526E+03 0.20456E-05 -0.10527E-05 2468 0.980E-03 4321 T= 6572. E= 0.66702238E+03 F= 0.61265451E+03 E0= 0.64067202E+03 EK= 0.54368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326724478105E+03 -0.59010E-01 -0.19009E-01 7764 0.244E+01 0.178E-01 RMM: 2 -0.326736172617E+03 -0.11695E-01 -0.90295E-02 4731 0.741E-01 0.751E-01 RMM: 3 -0.326732215930E+03 0.39567E-02 -0.10901E-02 5817 0.198E-01 0.112E-01 RMM: 4 -0.326732136194E+03 0.79736E-04 -0.62623E-04 4672 0.612E-02 0.154E-01 RMM: 5 -0.326731980508E+03 0.15569E-03 -0.12028E-04 3728 0.303E-02 0.677E-02 RMM: 6 -0.326731959135E+03 0.21372E-04 -0.39077E-05 3017 0.183E-02 0.462E-02 RMM: 7 -0.326731968572E+03 -0.94366E-05 -0.35550E-05 2762 0.184E-02 4322 T= 6362. E= 0.66519487E+03 F= 0.61256469E+03 E0= 0.64056044E+03 EK= 0.52630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326511338604E+03 0.22062E+00 -0.18348E-01 7692 0.240E+01 0.167E-01 RMM: 2 -0.326521327627E+03 -0.99890E-02 -0.93739E-02 4715 0.751E-01 0.493E-01 RMM: 3 -0.326519587926E+03 0.17397E-02 -0.11384E-02 5969 0.194E-01 0.121E-01 RMM: 4 -0.326519477116E+03 0.11081E-03 -0.59125E-04 4624 0.607E-02 0.151E-01 RMM: 5 -0.326519315013E+03 0.16210E-03 -0.11357E-04 3707 0.297E-02 0.619E-02 RMM: 6 -0.326519314767E+03 0.24599E-06 -0.51189E-05 3190 0.204E-02 4323 T= 6154. E= 0.66366779E+03 F= 0.61276007E+03 E0= 0.64073909E+03 EK= 0.50908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326028515910E+03 0.49080E+00 -0.18565E-01 7572 0.237E+01 0.275E-01 RMM: 2 -0.326053189389E+03 -0.24673E-01 -0.11276E-01 4672 0.819E-01 0.147E+00 RMM: 3 -0.326037763117E+03 0.15426E-01 -0.14844E-02 5413 0.271E-01 0.221E-01 RMM: 4 -0.326037450954E+03 0.31216E-03 -0.13583E-03 4844 0.737E-02 0.112E-01 RMM: 5 -0.326037432519E+03 0.18436E-04 -0.18485E-04 3944 0.332E-02 4324 T= 6014. E= 0.66298045E+03 F= 0.61323101E+03 E0= 0.64119881E+03 EK= 0.49749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325298157812E+03 0.73929E+00 -0.16886E-01 7836 0.236E+01 0.288E-01 RMM: 2 -0.325322009886E+03 -0.23852E-01 -0.75305E-02 4768 0.675E-01 0.161E+00 RMM: 3 -0.325304073487E+03 0.17936E-01 -0.11726E-02 5372 0.259E-01 0.278E-01 RMM: 4 -0.325303569472E+03 0.50402E-03 -0.12899E-03 4745 0.758E-02 0.121E-01 RMM: 5 -0.325303525706E+03 0.43766E-04 -0.23762E-04 3940 0.408E-02 0.124E-01 RMM: 6 -0.325303431753E+03 0.93952E-04 -0.11167E-04 3781 0.290E-02 0.629E-02 RMM: 7 -0.325303497721E+03 -0.65967E-04 -0.84212E-05 3650 0.238E-02 0.117E-01 RMM: 8 -0.325303402560E+03 0.95161E-04 -0.54229E-05 3291 0.231E-02 0.266E-02 RMM: 9 -0.325303399008E+03 0.35525E-05 -0.97183E-06 2473 0.972E-03 4325 T= 5984. E= 0.66346047E+03 F= 0.61396062E+03 E0= 0.64192240E+03 EK= 0.49500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324324810702E+03 0.97859E+00 -0.16922E-01 7848 0.236E+01 0.207E-01 RMM: 2 -0.324338375149E+03 -0.13564E-01 -0.76682E-02 4703 0.673E-01 0.101E+00 RMM: 3 -0.324331125363E+03 0.72498E-02 -0.95956E-03 5463 0.211E-01 0.189E-01 RMM: 4 -0.324330937333E+03 0.18803E-03 -0.84075E-04 4695 0.634E-02 0.118E-01 RMM: 5 -0.324330857009E+03 0.80325E-04 -0.12635E-04 3812 0.290E-02 0.714E-02 RMM: 6 -0.324330823255E+03 0.33753E-04 -0.36122E-05 2991 0.183E-02 0.231E-02 RMM: 7 -0.324330831661E+03 -0.84055E-05 -0.16432E-05 2509 0.129E-02 4326 T= 6074. E= 0.66518543E+03 F= 0.61493526E+03 E0= 0.64289546E+03 EK= 0.50250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323120626925E+03 0.12102E+01 -0.16734E-01 8088 0.239E+01 0.172E-01 RMM: 2 -0.323127551932E+03 -0.69250E-02 -0.55486E-02 5062 0.563E-01 0.598E-01 RMM: 3 -0.323125051317E+03 0.25006E-02 -0.58145E-03 5666 0.152E-01 0.149E-01 RMM: 4 -0.323124921973E+03 0.12934E-03 -0.42684E-04 4444 0.489E-02 0.118E-01 RMM: 5 -0.323124829645E+03 0.92328E-04 -0.10041E-04 3769 0.264E-02 0.746E-02 RMM: 6 -0.323124809242E+03 0.20403E-04 -0.54206E-05 3274 0.214E-02 0.586E-02 RMM: 7 -0.323124834538E+03 -0.25296E-04 -0.49757E-05 3191 0.200E-02 0.888E-02 RMM: 8 -0.323124782375E+03 0.52163E-04 -0.28893E-05 2744 0.174E-02 0.198E-02 RMM: 9 -0.323124780836E+03 0.15393E-05 -0.69631E-06 2452 0.765E-03 4327 T= 6264. E= 0.66797280E+03 F= 0.61614963E+03 E0= 0.64411175E+03 EK= 0.51823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321685660040E+03 0.14391E+01 -0.17734E-01 7752 0.242E+01 0.154E-01 RMM: 2 -0.321692807190E+03 -0.71471E-02 -0.61783E-02 4899 0.595E-01 0.544E-01 RMM: 3 -0.321690696811E+03 0.21104E-02 -0.67880E-03 5796 0.159E-01 0.974E-02 RMM: 4 -0.321690683483E+03 0.13328E-04 -0.38488E-04 4410 0.479E-02 0.150E-01 RMM: 5 -0.321690524626E+03 0.15886E-03 -0.90482E-05 3602 0.282E-02 0.528E-02 RMM: 6 -0.321690516391E+03 0.82350E-05 -0.32784E-05 2860 0.169E-02 4328 T= 6500. E= 0.67137325E+03 F= 0.61759804E+03 E0= 0.64556358E+03 EK= 0.53775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320040934097E+03 0.16496E+01 -0.17958E-01 7896 0.246E+01 0.253E-01 RMM: 2 -0.320057980972E+03 -0.17047E-01 -0.60508E-02 5179 0.595E-01 0.134E+00 RMM: 3 -0.320045321641E+03 0.12659E-01 -0.81318E-03 5387 0.211E-01 0.190E-01 RMM: 4 -0.320045127250E+03 0.19439E-03 -0.86132E-04 4629 0.615E-02 0.118E-01 RMM: 5 -0.320045098304E+03 0.28946E-04 -0.14129E-04 3864 0.308E-02 0.117E-01 RMM: 6 -0.320045009239E+03 0.89065E-04 -0.57742E-05 3322 0.222E-02 0.473E-02 RMM: 7 -0.320045037007E+03 -0.27768E-04 -0.52765E-05 3273 0.208E-02 0.821E-02 RMM: 8 -0.320044992390E+03 0.44617E-04 -0.32354E-05 2802 0.179E-02 0.275E-02 RMM: 9 -0.320044988793E+03 0.35968E-05 -0.94387E-06 2466 0.930E-03 4329 T= 6705. E= 0.67473446E+03 F= 0.61926315E+03 E0= 0.64723253E+03 EK= 0.55471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318224222727E+03 0.18208E+01 -0.18295E-01 7692 0.248E+01 0.226E-01 RMM: 2 -0.318239442030E+03 -0.15219E-01 -0.66189E-02 5097 0.624E-01 0.120E+00 RMM: 3 -0.318229234401E+03 0.10208E-01 -0.79089E-03 5398 0.205E-01 0.187E-01 RMM: 4 -0.318229069904E+03 0.16450E-03 -0.87999E-04 4623 0.656E-02 0.130E-01 RMM: 5 -0.318228997437E+03 0.72467E-04 -0.13356E-04 3845 0.298E-02 0.102E-01 RMM: 6 -0.318228924105E+03 0.73332E-04 -0.42295E-05 3108 0.200E-02 0.317E-02 RMM: 7 -0.318228934786E+03 -0.10681E-04 -0.28976E-05 2607 0.160E-02 4330 T= 6805. E= 0.67739947E+03 F= 0.62110397E+03 E0= 0.64907526E+03 EK= 0.56295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316309440150E+03 0.19195E+01 -0.18129E-01 7752 0.248E+01 0.216E-01 RMM: 2 -0.316321252862E+03 -0.11813E-01 -0.68655E-02 5249 0.641E-01 0.971E-01 RMM: 3 -0.316314747916E+03 0.65049E-02 -0.71766E-03 5540 0.182E-01 0.179E-01 RMM: 4 -0.316314555136E+03 0.19278E-03 -0.67463E-04 4621 0.579E-02 0.115E-01 RMM: 5 -0.316314495434E+03 0.59703E-04 -0.10904E-04 3766 0.258E-02 0.904E-02 RMM: 6 -0.316314447934E+03 0.47500E-04 -0.38559E-05 3058 0.190E-02 0.450E-02 RMM: 7 -0.316314481326E+03 -0.33393E-04 -0.51755E-05 3279 0.202E-02 0.864E-02 RMM: 8 -0.316314431901E+03 0.49425E-04 -0.30788E-05 2827 0.177E-02 0.225E-02 RMM: 9 -0.316314430133E+03 0.17681E-05 -0.82459E-06 2457 0.826E-03 4331 T= 6763. E= 0.67899853E+03 F= 0.62304840E+03 E0= 0.65101914E+03 EK= 0.55950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314392046413E+03 0.19224E+01 -0.17916E-01 7656 0.245E+01 0.190E-01 RMM: 2 -0.314401957186E+03 -0.99108E-02 -0.75977E-02 5166 0.663E-01 0.746E-01 RMM: 3 -0.314398180190E+03 0.37770E-02 -0.78721E-03 5748 0.174E-01 0.111E-01 RMM: 4 -0.314398160452E+03 0.19738E-04 -0.51209E-04 4629 0.525E-02 0.165E-01 RMM: 5 -0.314397966886E+03 0.19357E-03 -0.10984E-04 3771 0.277E-02 0.599E-02 RMM: 6 -0.314397952308E+03 0.14578E-04 -0.35790E-05 2973 0.180E-02 4332 T= 6604. E= 0.67963245E+03 F= 0.62500014E+03 E0= 0.65296692E+03 EK= 0.54632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312574113101E+03 0.18239E+01 -0.17254E-01 7596 0.241E+01 0.251E-01 RMM: 2 -0.312592250081E+03 -0.18137E-01 -0.80501E-02 5198 0.683E-01 0.129E+00 RMM: 3 -0.312580435520E+03 0.11815E-01 -0.96556E-03 5413 0.221E-01 0.197E-01 RMM: 4 -0.312580212716E+03 0.22280E-03 -0.96004E-04 4664 0.639E-02 0.115E-01 RMM: 5 -0.312580162556E+03 0.50161E-04 -0.15340E-04 3881 0.313E-02 0.109E-01 RMM: 6 -0.312580095064E+03 0.67491E-04 -0.69063E-05 3462 0.237E-02 0.585E-02 RMM: 7 -0.312580143254E+03 -0.48189E-04 -0.78702E-05 3651 0.247E-02 0.104E-01 RMM: 8 -0.312580071636E+03 0.71617E-04 -0.41478E-05 3095 0.197E-02 0.266E-02 RMM: 9 -0.312580070811E+03 0.82544E-06 -0.12630E-05 2484 0.106E-02 4333 T= 6398. E= 0.67978624E+03 F= 0.62685886E+03 E0= 0.65481868E+03 EK= 0.52927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310936101878E+03 0.16440E+01 -0.16657E-01 7656 0.237E+01 0.271E-01 RMM: 2 -0.310957504729E+03 -0.21403E-01 -0.89361E-02 5093 0.735E-01 0.144E+00 RMM: 3 -0.310942963071E+03 0.14542E-01 -0.11178E-02 5418 0.239E-01 0.231E-01 RMM: 4 -0.310942626270E+03 0.33680E-03 -0.12477E-03 4700 0.765E-02 0.129E-01 RMM: 5 -0.310942598154E+03 0.28116E-04 -0.19257E-04 3875 0.346E-02 0.127E-01 RMM: 6 -0.310942487007E+03 0.11115E-03 -0.61270E-05 3370 0.233E-02 0.315E-02 RMM: 7 -0.310942500082E+03 -0.13075E-04 -0.32570E-05 2732 0.171E-02 4334 T= 6227. E= 0.68005738E+03 F= 0.62854297E+03 E0= 0.65649405E+03 EK= 0.51514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309525291752E+03 0.14172E+01 -0.15735E-01 7752 0.234E+01 0.197E-01 RMM: 2 -0.309536240873E+03 -0.10949E-01 -0.74024E-02 5193 0.662E-01 0.852E-01 RMM: 3 -0.309531333181E+03 0.49077E-02 -0.78899E-03 5660 0.179E-01 0.158E-01 RMM: 4 -0.309531161397E+03 0.17178E-03 -0.59639E-04 4623 0.544E-02 0.114E-01 RMM: 5 -0.309531066828E+03 0.94568E-04 -0.11395E-04 3859 0.267E-02 0.726E-02 RMM: 6 -0.309531058757E+03 0.80718E-05 -0.47661E-05 3204 0.197E-02 4335 T= 6153. E= 0.68090831E+03 F= 0.63000652E+03 E0= 0.65794868E+03 EK= 0.50902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308345234445E+03 0.11858E+01 -0.15270E-01 7848 0.234E+01 0.311E-01 RMM: 2 -0.308368569665E+03 -0.23335E-01 -0.80246E-02 5125 0.689E-01 0.160E+00 RMM: 3 -0.308351056547E+03 0.17513E-01 -0.12504E-02 5372 0.268E-01 0.249E-01 RMM: 4 -0.308350678768E+03 0.37778E-03 -0.12718E-03 4708 0.697E-02 0.111E-01 RMM: 5 -0.308350647255E+03 0.31513E-04 -0.17381E-04 3879 0.341E-02 0.115E-01 RMM: 6 -0.308350561691E+03 0.85564E-04 -0.69891E-05 3450 0.243E-02 0.472E-02 RMM: 7 -0.308350585009E+03 -0.23317E-04 -0.39776E-05 2990 0.186E-02 0.784E-02 RMM: 8 -0.308350548825E+03 0.36183E-04 -0.33765E-05 2693 0.177E-02 0.342E-02 RMM: 9 -0.308350542926E+03 0.58993E-05 -0.12766E-05 2475 0.110E-02 4336 T= 6201. E= 0.68254106E+03 F= 0.63124433E+03 E0= 0.65917791E+03 EK= 0.51297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307362044009E+03 0.98850E+00 -0.15802E-01 7656 0.237E+01 0.282E-01 RMM: 2 -0.307383480917E+03 -0.21437E-01 -0.89229E-02 5018 0.735E-01 0.146E+00 RMM: 3 -0.307369151442E+03 0.14329E-01 -0.12115E-02 5396 0.253E-01 0.287E-01 RMM: 4 -0.307368593869E+03 0.55757E-03 -0.13561E-03 4705 0.783E-02 0.119E-01 RMM: 5 -0.307368568829E+03 0.25040E-04 -0.20289E-04 3879 0.374E-02 0.115E-01 RMM: 6 -0.307368471472E+03 0.97357E-04 -0.60453E-05 3351 0.226E-02 0.346E-02 RMM: 7 -0.307368481551E+03 -0.10078E-04 -0.27998E-05 2642 0.154E-02 4337 T= 6355. E= 0.68486248E+03 F= 0.63228831E+03 E0= 0.66021506E+03 EK= 0.52574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306516473973E+03 0.85200E+00 -0.16813E-01 7584 0.241E+01 0.221E-01 RMM: 2 -0.306530000519E+03 -0.13527E-01 -0.88254E-02 5011 0.726E-01 0.954E-01 RMM: 3 -0.306523732851E+03 0.62677E-02 -0.10331E-02 5570 0.208E-01 0.169E-01 RMM: 4 -0.306523594460E+03 0.13839E-03 -0.83011E-04 4672 0.639E-02 0.149E-01 RMM: 5 -0.306523461527E+03 0.13293E-03 -0.14234E-04 3862 0.292E-02 0.864E-02 RMM: 6 -0.306523417787E+03 0.43740E-04 -0.45550E-05 3146 0.198E-02 0.471E-02 RMM: 7 -0.306523449334E+03 -0.31547E-04 -0.50227E-05 3265 0.196E-02 0.894E-02 RMM: 8 -0.306523397810E+03 0.51524E-04 -0.35169E-05 2898 0.184E-02 0.252E-02 RMM: 9 -0.306523395972E+03 0.18389E-05 -0.95073E-06 2464 0.920E-03 4338 T= 6563. E= 0.68748949E+03 F= 0.63319944E+03 E0= 0.66112122E+03 EK= 0.54290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305735097269E+03 0.78830E+00 -0.17301E-01 7620 0.245E+01 0.194E-01 RMM: 2 -0.305745714795E+03 -0.10618E-01 -0.92380E-02 4936 0.745E-01 0.657E-01 RMM: 3 -0.305742859409E+03 0.28554E-02 -0.10604E-02 5884 0.191E-01 0.136E-01 RMM: 4 -0.305742792533E+03 0.66876E-04 -0.66609E-04 4644 0.647E-02 0.193E-01 RMM: 5 -0.305742538718E+03 0.25382E-03 -0.16404E-04 3879 0.342E-02 0.705E-02 RMM: 6 -0.305742511031E+03 0.27686E-04 -0.37551E-05 3011 0.183E-02 0.425E-02 RMM: 7 -0.305742520173E+03 -0.91421E-05 -0.38555E-05 2745 0.182E-02 4339 T= 6743. E= 0.68982965E+03 F= 0.63405028E+03 E0= 0.66196821E+03 EK= 0.55779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304954583760E+03 0.78793E+00 -0.17606E-01 7296 0.248E+01 0.207E-01 RMM: 2 -0.304965876462E+03 -0.11293E-01 -0.94987E-02 4926 0.763E-01 0.709E-01 RMM: 3 -0.304962565652E+03 0.33108E-02 -0.11510E-02 5869 0.204E-01 0.146E-01 RMM: 4 -0.304962461216E+03 0.10444E-03 -0.71621E-04 4647 0.632E-02 0.182E-01 RMM: 5 -0.304962242301E+03 0.21891E-03 -0.15247E-04 3872 0.324E-02 0.712E-02 RMM: 6 -0.304962219472E+03 0.22829E-04 -0.38817E-05 3042 0.183E-02 0.498E-02 RMM: 7 -0.304962236899E+03 -0.17426E-04 -0.48015E-05 3203 0.195E-02 4340 T= 6817. E= 0.69130309E+03 F= 0.63490464E+03 E0= 0.66281979E+03 EK= 0.56398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.304146301494E+03 0.81592E+00 -0.17892E-01 7536 0.249E+01 0.187E-01 RMM: 2 -0.304156618118E+03 -0.10317E-01 -0.93246E-02 4915 0.743E-01 0.598E-01 RMM: 3 -0.304154213858E+03 0.24043E-02 -0.10754E-02 5919 0.189E-01 0.134E-01 RMM: 4 -0.304154154655E+03 0.59203E-04 -0.63829E-04 4626 0.643E-02 0.192E-01 RMM: 5 -0.304153902038E+03 0.25262E-03 -0.15517E-04 3850 0.334E-02 0.656E-02 RMM: 6 -0.304153884613E+03 0.17426E-04 -0.41730E-05 3091 0.191E-02 4341 T= 6751. E= 0.69163960E+03 F= 0.63579171E+03 E0= 0.66370446E+03 EK= 0.55848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303325134795E+03 0.82877E+00 -0.17944E-01 7620 0.247E+01 0.253E-01 RMM: 2 -0.303344010222E+03 -0.18875E-01 -0.91927E-02 4966 0.731E-01 0.127E+00 RMM: 3 -0.303332460034E+03 0.11550E-01 -0.11285E-02 5400 0.237E-01 0.197E-01 RMM: 4 -0.303332307574E+03 0.15246E-03 -0.10736E-03 4647 0.686E-02 0.148E-01 RMM: 5 -0.303332194754E+03 0.11282E-03 -0.17435E-04 3894 0.328E-02 0.106E-01 RMM: 6 -0.303332130097E+03 0.64657E-04 -0.67512E-05 3399 0.235E-02 0.553E-02 RMM: 7 -0.303332168630E+03 -0.38534E-04 -0.67115E-05 3500 0.230E-02 0.953E-02 RMM: 8 -0.303332111268E+03 0.57362E-04 -0.38275E-05 3002 0.190E-02 0.346E-02 RMM: 9 -0.303332104889E+03 0.63793E-05 -0.11256E-05 2477 0.995E-03 4342 T= 6570. E= 0.69104639E+03 F= 0.63669760E+03 E0= 0.66460873E+03 EK= 0.54349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302540603385E+03 0.79151E+00 -0.18225E-01 7452 0.244E+01 0.283E-01 RMM: 2 -0.302565504993E+03 -0.24902E-01 -0.10871E-01 4794 0.817E-01 0.151E+00 RMM: 3 -0.302549246859E+03 0.16258E-01 -0.14080E-02 5398 0.266E-01 0.221E-01 RMM: 4 -0.302548989621E+03 0.25724E-03 -0.14277E-03 4841 0.808E-02 0.150E-01 RMM: 5 -0.302548947386E+03 0.42236E-04 -0.22732E-04 3883 0.379E-02 0.137E-01 RMM: 6 -0.302548818209E+03 0.12918E-03 -0.81681E-05 3555 0.258E-02 0.363E-02 RMM: 7 -0.302548838977E+03 -0.20769E-04 -0.34945E-05 2893 0.174E-02 0.700E-02 RMM: 8 -0.302548808159E+03 0.30818E-04 -0.29474E-05 2587 0.174E-02 0.243E-02 RMM: 9 -0.302548805757E+03 0.24023E-05 -0.82088E-06 2455 0.846E-03 4343 T= 6348. E= 0.69008909E+03 F= 0.63757098E+03 E0= 0.66548283E+03 EK= 0.52518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301865251025E+03 0.68356E+00 -0.17866E-01 7452 0.240E+01 0.209E-01 RMM: 2 -0.301878865620E+03 -0.13615E-01 -0.98514E-02 4901 0.762E-01 0.872E-01 RMM: 3 -0.301873490423E+03 0.53752E-02 -0.11335E-02 5625 0.212E-01 0.167E-01 RMM: 4 -0.301873309087E+03 0.18134E-03 -0.76286E-04 4663 0.627E-02 0.137E-01 RMM: 5 -0.301873199138E+03 0.10995E-03 -0.15127E-04 3876 0.331E-02 0.883E-02 RMM: 6 -0.301873163500E+03 0.35638E-04 -0.59011E-05 3315 0.219E-02 0.570E-02 RMM: 7 -0.301873190293E+03 -0.26793E-04 -0.50696E-05 3227 0.205E-02 0.871E-02 RMM: 8 -0.301873141329E+03 0.48965E-04 -0.32959E-05 2926 0.185E-02 0.222E-02 RMM: 9 -0.301873141633E+03 -0.30438E-06 -0.87831E-06 2464 0.862E-03 4344 T= 6172. E= 0.68940175E+03 F= 0.63834289E+03 E0= 0.66625929E+03 EK= 0.51059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301363623550E+03 0.50952E+00 -0.17144E-01 7644 0.238E+01 0.199E-01 RMM: 2 -0.301374595872E+03 -0.10972E-01 -0.82912E-02 4927 0.710E-01 0.779E-01 RMM: 3 -0.301370499087E+03 0.40968E-02 -0.95483E-03 5761 0.190E-01 0.157E-01 RMM: 4 -0.301370341944E+03 0.15714E-03 -0.64825E-04 4604 0.609E-02 0.148E-01 RMM: 5 -0.301370228355E+03 0.11359E-03 -0.15266E-04 3869 0.339E-02 0.915E-02 RMM: 6 -0.301370183091E+03 0.45264E-04 -0.56447E-05 3305 0.220E-02 0.493E-02 RMM: 7 -0.301370213951E+03 -0.30860E-04 -0.43174E-05 3061 0.192E-02 0.850E-02 RMM: 8 -0.301370167346E+03 0.46605E-04 -0.29109E-05 2747 0.176E-02 0.197E-02 RMM: 9 -0.301370167901E+03 -0.55476E-06 -0.79106E-06 2461 0.808E-03 4345 T= 6104. E= 0.68944140E+03 F= 0.63894792E+03 E0= 0.66687444E+03 EK= 0.50493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301078725461E+03 0.29144E+00 -0.16928E-01 7464 0.239E+01 0.184E-01 RMM: 2 -0.301088575937E+03 -0.98505E-02 -0.87095E-02 4906 0.715E-01 0.596E-01 RMM: 3 -0.301086119337E+03 0.24566E-02 -0.10101E-02 5894 0.186E-01 0.140E-01 RMM: 4 -0.301086020984E+03 0.98352E-04 -0.61368E-04 4593 0.607E-02 0.168E-01 RMM: 5 -0.301085838085E+03 0.18290E-03 -0.14723E-04 3863 0.320E-02 0.788E-02 RMM: 6 -0.301085812016E+03 0.26069E-04 -0.53939E-05 3260 0.213E-02 0.526E-02 RMM: 7 -0.301085834100E+03 -0.22084E-04 -0.37772E-05 2927 0.183E-02 0.801E-02 RMM: 8 -0.301085792212E+03 0.41888E-04 -0.27701E-05 2691 0.169E-02 0.190E-02 RMM: 9 -0.301085792999E+03 -0.78673E-06 -0.75015E-06 2455 0.789E-03 4346 T= 6170. E= 0.69037934E+03 F= 0.63933935E+03 E0= 0.66728285E+03 EK= 0.51040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301034560338E+03 0.51232E-01 -0.17611E-01 7692 0.241E+01 0.211E-01 RMM: 2 -0.301046052044E+03 -0.11492E-01 -0.88170E-02 4944 0.729E-01 0.789E-01 RMM: 3 -0.301041901744E+03 0.41503E-02 -0.10203E-02 5770 0.194E-01 0.163E-01 RMM: 4 -0.301041777626E+03 0.12412E-03 -0.75762E-04 4638 0.662E-02 0.176E-01 RMM: 5 -0.301041611919E+03 0.16571E-03 -0.17334E-04 3878 0.347E-02 0.100E-01 RMM: 6 -0.301041548570E+03 0.63349E-04 -0.55825E-05 3285 0.220E-02 0.430E-02 RMM: 7 -0.301041573950E+03 -0.25380E-04 -0.44088E-05 3096 0.191E-02 0.781E-02 RMM: 8 -0.301041535308E+03 0.38642E-04 -0.29342E-05 2718 0.173E-02 0.235E-02 RMM: 9 -0.301041534138E+03 0.11692E-05 -0.88198E-06 2460 0.863E-03 4347 T= 6355. E= 0.69206886E+03 F= 0.63949468E+03 E0= 0.66746252E+03 EK= 0.52574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301228944199E+03 -0.18741E+00 -0.18742E-01 7584 0.246E+01 0.213E-01 RMM: 2 -0.301240178938E+03 -0.11235E-01 -0.95629E-02 4948 0.752E-01 0.687E-01 RMM: 3 -0.301236943466E+03 0.32355E-02 -0.10999E-02 5839 0.196E-01 0.152E-01 RMM: 4 -0.301236872954E+03 0.70512E-04 -0.78529E-04 4662 0.685E-02 0.198E-01 RMM: 5 -0.301236623055E+03 0.24990E-03 -0.19320E-04 3877 0.359E-02 0.893E-02 RMM: 6 -0.301236576990E+03 0.46065E-04 -0.51082E-05 3239 0.210E-02 0.441E-02 RMM: 7 -0.301236599924E+03 -0.22934E-04 -0.40932E-05 3010 0.185E-02 0.782E-02 RMM: 8 -0.301236560776E+03 0.39148E-04 -0.30011E-05 2665 0.171E-02 0.234E-02 RMM: 9 -0.301236560783E+03 -0.69977E-08 -0.10001E-05 2465 0.922E-03 4348 T= 6603. E= 0.69404168E+03 F= 0.63941402E+03 E0= 0.66741303E+03 EK= 0.54628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.301643531986E+03 -0.40697E+00 -0.20031E-01 7680 0.250E+01 0.232E-01 RMM: 2 -0.301656871265E+03 -0.13339E-01 -0.10903E-01 4964 0.806E-01 0.795E-01 RMM: 3 -0.301652608512E+03 0.42628E-02 -0.12412E-02 5829 0.209E-01 0.166E-01 RMM: 4 -0.301652519192E+03 0.89321E-04 -0.92388E-04 4718 0.736E-02 0.215E-01 RMM: 5 -0.301652252848E+03 0.26634E-03 -0.22314E-04 3888 0.391E-02 0.105E-01 RMM: 6 -0.301652179547E+03 0.73300E-04 -0.57955E-05 3301 0.223E-02 0.430E-02 RMM: 7 -0.301652198062E+03 -0.18515E-04 -0.42696E-05 3043 0.188E-02 4349 T= 6826. E= 0.69558280E+03 F= 0.63911597E+03 E0= 0.66715182E+03 EK= 0.56467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.302250468531E+03 -0.59829E+00 -0.20255E-01 7572 0.253E+01 0.250E-01 RMM: 2 -0.302265588321E+03 -0.15120E-01 -0.11974E-01 4919 0.843E-01 0.876E-01 RMM: 3 -0.302260412816E+03 0.51755E-02 -0.14086E-02 5788 0.228E-01 0.184E-01 RMM: 4 -0.302260274413E+03 0.13840E-03 -0.10549E-03 4769 0.763E-02 0.212E-01 RMM: 5 -0.302259982983E+03 0.29143E-03 -0.22824E-04 3889 0.388E-02 0.873E-02 RMM: 6 -0.302259944513E+03 0.38470E-04 -0.55088E-05 3283 0.211E-02 0.523E-02 RMM: 7 -0.302259967484E+03 -0.22971E-04 -0.52711E-05 3272 0.202E-02 0.828E-02 RMM: 8 -0.302259923595E+03 0.43889E-04 -0.37295E-05 2951 0.191E-02 0.243E-02 RMM: 9 -0.302259924734E+03 -0.11397E-05 -0.10531E-05 2470 0.951E-03 4350 T= 6932. E= 0.69597306E+03 F= 0.63862976E+03 E0= 0.66670540E+03 EK= 0.57343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303026518870E+03 -0.76660E+00 -0.21160E-01 7764 0.253E+01 0.247E-01 RMM: 2 -0.303042044387E+03 -0.15526E-01 -0.12485E-01 4873 0.862E-01 0.869E-01 RMM: 3 -0.303036905755E+03 0.51386E-02 -0.14478E-02 5805 0.230E-01 0.175E-01 RMM: 4 -0.303036818406E+03 0.87349E-04 -0.10420E-03 4811 0.773E-02 0.233E-01 RMM: 5 -0.303036510644E+03 0.30776E-03 -0.25499E-04 3924 0.418E-02 0.113E-01 RMM: 6 -0.303036424698E+03 0.85946E-04 -0.84951E-05 3558 0.266E-02 0.430E-02 RMM: 7 -0.303036450190E+03 -0.25492E-04 -0.43889E-05 3061 0.189E-02 0.800E-02 RMM: 8 -0.303036408567E+03 0.41623E-04 -0.32168E-05 2700 0.176E-02 0.264E-02 RMM: 9 -0.303036406911E+03 0.16562E-05 -0.10783E-05 2465 0.949E-03 4351 T= 6874. E= 0.69485011E+03 F= 0.63798011E+03 E0= 0.66609622E+03 EK= 0.56870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.303956516336E+03 -0.92011E+00 -0.20357E-01 7500 0.250E+01 0.228E-01 RMM: 2 -0.303970455890E+03 -0.13940E-01 -0.11236E-01 4946 0.812E-01 0.806E-01 RMM: 3 -0.303965960052E+03 0.44958E-02 -0.12910E-02 5887 0.210E-01 0.166E-01 RMM: 4 -0.303965872200E+03 0.87852E-04 -0.94291E-04 4775 0.760E-02 0.219E-01 RMM: 5 -0.303965587297E+03 0.28490E-03 -0.23061E-04 3889 0.389E-02 0.107E-01 RMM: 6 -0.303965524435E+03 0.62862E-04 -0.77544E-05 3510 0.253E-02 0.532E-02 RMM: 7 -0.303965557498E+03 -0.33063E-04 -0.56680E-05 3312 0.211E-02 0.902E-02 RMM: 8 -0.303965503862E+03 0.53636E-04 -0.33018E-05 2903 0.186E-02 0.260E-02 RMM: 9 -0.303965502417E+03 0.14450E-05 -0.10037E-05 2467 0.909E-03 4352 T= 6678. E= 0.69243219E+03 F= 0.63718483E+03 E0= 0.66533896E+03 EK= 0.55247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305025632556E+03 -0.10601E+01 -0.19956E-01 7656 0.246E+01 0.245E-01 RMM: 2 -0.305040758834E+03 -0.15126E-01 -0.11204E-01 4941 0.818E-01 0.927E-01 RMM: 3 -0.305034784563E+03 0.59743E-02 -0.12716E-02 5744 0.220E-01 0.199E-01 RMM: 4 -0.305034548594E+03 0.23597E-03 -0.99647E-04 4775 0.757E-02 0.181E-01 RMM: 5 -0.305034416125E+03 0.13247E-03 -0.23740E-04 3895 0.395E-02 0.136E-01 RMM: 6 -0.305034300146E+03 0.11598E-03 -0.10246E-04 3721 0.294E-02 0.544E-02 RMM: 7 -0.305034337517E+03 -0.37371E-04 -0.63742E-05 3418 0.222E-02 0.918E-02 RMM: 8 -0.305034285132E+03 0.52385E-04 -0.33069E-05 2911 0.188E-02 0.344E-02 RMM: 9 -0.305034279409E+03 0.57226E-05 -0.10052E-05 2474 0.935E-03 4353 T= 6423. E= 0.68938999E+03 F= 0.63625837E+03 E0= 0.66444670E+03 EK= 0.53132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306217190555E+03 -0.11829E+01 -0.18953E-01 7704 0.241E+01 0.224E-01 RMM: 2 -0.306229577317E+03 -0.12387E-01 -0.95234E-02 4961 0.743E-01 0.806E-01 RMM: 3 -0.306224996755E+03 0.45806E-02 -0.10622E-02 5743 0.199E-01 0.170E-01 RMM: 4 -0.306224924224E+03 0.72530E-04 -0.87394E-04 4712 0.721E-02 0.201E-01 RMM: 5 -0.306224732723E+03 0.19150E-03 -0.24363E-04 3895 0.411E-02 0.135E-01 RMM: 6 -0.306224621499E+03 0.11122E-03 -0.10800E-04 3802 0.297E-02 0.557E-02 RMM: 7 -0.306224667777E+03 -0.46278E-04 -0.70291E-05 3502 0.233E-02 0.992E-02 RMM: 8 -0.306224602377E+03 0.65400E-04 -0.35469E-05 3025 0.196E-02 0.269E-02 RMM: 9 -0.306224600632E+03 0.17453E-05 -0.85748E-06 2473 0.830E-03 4354 T= 6198. E= 0.68649445E+03 F= 0.63521968E+03 E0= 0.66343717E+03 EK= 0.51275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307498360827E+03 -0.12738E+01 -0.18014E-01 7704 0.238E+01 0.227E-01 RMM: 2 -0.307509498900E+03 -0.11138E-01 -0.89747E-02 4930 0.724E-01 0.745E-01 RMM: 3 -0.307505588932E+03 0.39100E-02 -0.10182E-02 5796 0.195E-01 0.176E-01 RMM: 4 -0.307505514185E+03 0.74747E-04 -0.86456E-04 4688 0.721E-02 0.205E-01 RMM: 5 -0.307505295385E+03 0.21880E-03 -0.24456E-04 3912 0.415E-02 0.123E-01 RMM: 6 -0.307505204459E+03 0.90926E-04 -0.92348E-05 3639 0.278E-02 0.565E-02 RMM: 7 -0.307505244909E+03 -0.40450E-04 -0.63966E-05 3407 0.223E-02 0.958E-02 RMM: 8 -0.307505186976E+03 0.57934E-04 -0.32971E-05 2969 0.191E-02 0.301E-02 RMM: 9 -0.307505183246E+03 0.37296E-05 -0.85735E-06 2468 0.847E-03 4355 T= 6071. E= 0.68432598E+03 F= 0.63409993E+03 E0= 0.66234189E+03 EK= 0.50226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308820860615E+03 -0.13157E+01 -0.17813E-01 7896 0.237E+01 0.244E-01 RMM: 2 -0.308831632691E+03 -0.10772E-01 -0.83193E-02 4955 0.698E-01 0.785E-01 RMM: 3 -0.308827369444E+03 0.42632E-02 -0.94623E-03 5663 0.196E-01 0.195E-01 RMM: 4 -0.308827312776E+03 0.56668E-04 -0.94362E-04 4675 0.739E-02 0.215E-01 RMM: 5 -0.308827082866E+03 0.22991E-03 -0.26696E-04 3907 0.425E-02 0.139E-01 RMM: 6 -0.308826965283E+03 0.11758E-03 -0.10288E-04 3731 0.294E-02 0.539E-02 RMM: 7 -0.308827006675E+03 -0.41391E-04 -0.65007E-05 3426 0.222E-02 0.953E-02 RMM: 8 -0.308826948792E+03 0.57883E-04 -0.34218E-05 2990 0.194E-02 0.300E-02 RMM: 9 -0.308826945263E+03 0.35288E-05 -0.87178E-06 2470 0.855E-03 4356 T= 6070. E= 0.68316478E+03 F= 0.63294718E+03 E0= 0.66120924E+03 EK= 0.50218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310114186148E+03 -0.12872E+01 -0.18305E-01 7836 0.239E+01 0.250E-01 RMM: 2 -0.310125377544E+03 -0.11191E-01 -0.88262E-02 4906 0.716E-01 0.776E-01 RMM: 3 -0.310121105223E+03 0.42723E-02 -0.10117E-02 5663 0.199E-01 0.193E-01 RMM: 4 -0.310121144368E+03 -0.39145E-04 -0.10464E-03 4747 0.788E-02 0.245E-01 RMM: 5 -0.310120798910E+03 0.34546E-03 -0.28246E-04 3915 0.432E-02 0.126E-01 RMM: 6 -0.310120700169E+03 0.98741E-04 -0.89004E-05 3603 0.273E-02 0.518E-02 RMM: 7 -0.310120737077E+03 -0.36908E-04 -0.59830E-05 3359 0.213E-02 0.918E-02 RMM: 8 -0.310120685031E+03 0.52046E-04 -0.32992E-05 2956 0.189E-02 0.297E-02 RMM: 9 -0.310120681590E+03 0.34403E-05 -0.85937E-06 2465 0.847E-03 4357 T= 6185. E= 0.68299299E+03 F= 0.63182908E+03 E0= 0.66010820E+03 EK= 0.51164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311294611732E+03 -0.11739E+01 -0.18558E-01 7776 0.242E+01 0.264E-01 RMM: 2 -0.311306232528E+03 -0.11621E-01 -0.92510E-02 4901 0.737E-01 0.795E-01 RMM: 3 -0.311301911067E+03 0.43215E-02 -0.10845E-02 5659 0.206E-01 0.205E-01 RMM: 4 -0.311301976454E+03 -0.65387E-04 -0.11453E-03 4778 0.816E-02 0.266E-01 RMM: 5 -0.311301561281E+03 0.41517E-03 -0.31448E-04 3968 0.456E-02 0.129E-01 RMM: 6 -0.311301456062E+03 0.10522E-03 -0.89778E-05 3605 0.272E-02 0.485E-02 RMM: 7 -0.311301491358E+03 -0.35296E-04 -0.57467E-05 3315 0.209E-02 0.894E-02 RMM: 8 -0.311301441212E+03 0.50146E-04 -0.33092E-05 2922 0.187E-02 0.295E-02 RMM: 9 -0.311301438162E+03 0.30501E-05 -0.94705E-06 2469 0.885E-03 4358 T= 6370. E= 0.68352637E+03 F= 0.63082908E+03 E0= 0.65912304E+03 EK= 0.52697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312274511708E+03 -0.97307E+00 -0.18486E-01 7608 0.245E+01 0.269E-01 RMM: 2 -0.312286664604E+03 -0.12153E-01 -0.95017E-02 4907 0.742E-01 0.824E-01 RMM: 3 -0.312281874787E+03 0.47898E-02 -0.10926E-02 5676 0.207E-01 0.199E-01 RMM: 4 -0.312282036603E+03 -0.16182E-03 -0.12187E-03 4830 0.850E-02 0.286E-01 RMM: 5 -0.312281528115E+03 0.50849E-03 -0.33765E-04 3986 0.471E-02 0.120E-01 RMM: 6 -0.312281438395E+03 0.89720E-04 -0.84590E-05 3571 0.261E-02 0.498E-02 RMM: 7 -0.312281472858E+03 -0.34463E-04 -0.58274E-05 3336 0.209E-02 0.906E-02 RMM: 8 -0.312281421400E+03 0.51459E-04 -0.34104E-05 2963 0.188E-02 0.276E-02 RMM: 9 -0.312281419874E+03 0.15253E-05 -0.95294E-06 2468 0.882E-03 4359 T= 6557. E= 0.68427709E+03 F= 0.63003404E+03 E0= 0.65834215E+03 EK= 0.54243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312978478438E+03 -0.69706E+00 -0.19392E-01 7668 0.248E+01 0.269E-01 RMM: 2 -0.312990887689E+03 -0.12409E-01 -0.10265E-01 4876 0.763E-01 0.785E-01 RMM: 3 -0.312986579653E+03 0.43080E-02 -0.11876E-02 5768 0.211E-01 0.199E-01 RMM: 4 -0.312986729713E+03 -0.15006E-03 -0.11909E-03 4825 0.845E-02 0.296E-01 RMM: 5 -0.312986185444E+03 0.54427E-03 -0.35130E-04 4114 0.486E-02 0.119E-01 RMM: 6 -0.312986097705E+03 0.87739E-04 -0.88188E-05 3591 0.264E-02 0.504E-02 RMM: 7 -0.312986134922E+03 -0.37218E-04 -0.58131E-05 3331 0.210E-02 0.930E-02 RMM: 8 -0.312986080171E+03 0.54751E-04 -0.33499E-05 2952 0.186E-02 0.268E-02 RMM: 9 -0.312986079337E+03 0.83355E-06 -0.10049E-05 2473 0.901E-03 4360 T= 6671. E= 0.68470662E+03 F= 0.62951848E+03 E0= 0.65784039E+03 EK= 0.55188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313368255350E+03 -0.38218E+00 -0.19614E-01 8028 0.248E+01 0.265E-01 RMM: 2 -0.313380698913E+03 -0.12444E-01 -0.96845E-02 4925 0.740E-01 0.831E-01 RMM: 3 -0.313375807184E+03 0.48917E-02 -0.11094E-02 5738 0.207E-01 0.185E-01 RMM: 4 -0.313376012835E+03 -0.20565E-03 -0.11791E-03 4841 0.841E-02 0.295E-01 RMM: 5 -0.313375472884E+03 0.53995E-03 -0.34898E-04 4056 0.483E-02 0.117E-01 RMM: 6 -0.313375392593E+03 0.80291E-04 -0.90308E-05 3630 0.264E-02 0.550E-02 RMM: 7 -0.313375429392E+03 -0.36799E-04 -0.62548E-05 3415 0.217E-02 0.946E-02 RMM: 8 -0.313375372304E+03 0.57088E-04 -0.33779E-05 2984 0.188E-02 0.236E-02 RMM: 9 -0.313375373167E+03 -0.86342E-06 -0.91781E-06 2469 0.853E-03 4361 T= 6665. E= 0.68446282E+03 F= 0.62932321E+03 E0= 0.65765914E+03 EK= 0.55140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313449552618E+03 -0.74180E-01 -0.20073E-01 8004 0.247E+01 0.252E-01 RMM: 2 -0.313462311222E+03 -0.12759E-01 -0.10809E-01 4858 0.777E-01 0.751E-01 RMM: 3 -0.313458299641E+03 0.40116E-02 -0.12464E-02 5864 0.211E-01 0.177E-01 RMM: 4 -0.313458416108E+03 -0.11647E-03 -0.10847E-03 4840 0.818E-02 0.285E-01 RMM: 5 -0.313457922139E+03 0.49397E-03 -0.34297E-04 4128 0.489E-02 0.117E-01 RMM: 6 -0.313457848397E+03 0.73742E-04 -0.10578E-04 3748 0.284E-02 0.615E-02 RMM: 7 -0.313457886781E+03 -0.38385E-04 -0.59488E-05 3364 0.215E-02 0.992E-02 RMM: 8 -0.313457824102E+03 0.62679E-04 -0.33287E-05 2985 0.188E-02 0.239E-02 RMM: 9 -0.313457825332E+03 -0.12296E-05 -0.93776E-06 2472 0.863E-03 4362 T= 6543. E= 0.68356749E+03 F= 0.62944088E+03 E0= 0.65779005E+03 EK= 0.54127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313275756291E+03 0.18207E+00 -0.19792E-01 7848 0.243E+01 0.243E-01 RMM: 2 -0.313289712604E+03 -0.13956E-01 -0.11685E-01 4889 0.792E-01 0.770E-01 RMM: 3 -0.313285213289E+03 0.44993E-02 -0.12918E-02 5860 0.215E-01 0.172E-01 RMM: 4 -0.313285254907E+03 -0.41618E-04 -0.10800E-03 4883 0.817E-02 0.264E-01 RMM: 5 -0.313284836747E+03 0.41816E-03 -0.34418E-04 4128 0.492E-02 0.116E-01 RMM: 6 -0.313284776400E+03 0.60348E-04 -0.11082E-04 3787 0.286E-02 0.732E-02 RMM: 7 -0.313284799977E+03 -0.23577E-04 -0.62273E-05 3424 0.225E-02 0.945E-02 RMM: 8 -0.313284743125E+03 0.56852E-04 -0.31290E-05 2971 0.183E-02 0.236E-02 RMM: 9 -0.313284745647E+03 -0.25227E-05 -0.93009E-06 2471 0.857E-03 4363 T= 6356. E= 0.68240292E+03 F= 0.62982112E+03 E0= 0.65818220E+03 EK= 0.52582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312923016948E+03 0.36173E+00 -0.20198E-01 8052 0.239E+01 0.238E-01 RMM: 2 -0.312937656537E+03 -0.14640E-01 -0.12930E-01 4864 0.833E-01 0.714E-01 RMM: 3 -0.312933721371E+03 0.39352E-02 -0.14171E-02 5985 0.220E-01 0.166E-01 RMM: 4 -0.312933699583E+03 0.21789E-04 -0.10327E-03 4842 0.808E-02 0.259E-01 RMM: 5 -0.312933313041E+03 0.38654E-03 -0.34902E-04 4228 0.506E-02 0.121E-01 RMM: 6 -0.312933253427E+03 0.59614E-04 -0.13300E-04 3868 0.312E-02 0.803E-02 RMM: 7 -0.312933281793E+03 -0.28367E-04 -0.66274E-05 3468 0.233E-02 0.103E-01 RMM: 8 -0.312933213987E+03 0.67807E-04 -0.35066E-05 3061 0.190E-02 0.262E-02 RMM: 9 -0.312933215838E+03 -0.18515E-05 -0.99018E-06 2476 0.898E-03 4364 T= 6179. E= 0.68150558E+03 F= 0.63038702E+03 E0= 0.65875738E+03 EK= 0.51119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312474529206E+03 0.45868E+00 -0.19443E-01 8316 0.236E+01 0.237E-01 RMM: 2 -0.312488071561E+03 -0.13542E-01 -0.11759E-01 4967 0.783E-01 0.719E-01 RMM: 3 -0.312484047441E+03 0.40241E-02 -0.12209E-02 5923 0.211E-01 0.167E-01 RMM: 4 -0.312484073650E+03 -0.26210E-04 -0.10197E-03 4833 0.798E-02 0.257E-01 RMM: 5 -0.312483673932E+03 0.39972E-03 -0.37308E-04 4301 0.522E-02 0.110E-01 RMM: 6 -0.312483643334E+03 0.30599E-04 -0.12269E-04 3850 0.295E-02 0.899E-02 RMM: 7 -0.312483652417E+03 -0.90830E-05 -0.63886E-05 3459 0.232E-02 4365 T= 6078. E= 0.68133644E+03 F= 0.63105727E+03 E0= 0.65943377E+03 EK= 0.50279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311993277799E+03 0.49037E+00 -0.19708E-01 8400 0.235E+01 0.260E-01 RMM: 2 -0.312006583818E+03 -0.13306E-01 -0.12282E-01 5035 0.796E-01 0.656E-01 RMM: 3 -0.312003187606E+03 0.33962E-02 -0.12522E-02 6018 0.211E-01 0.186E-01 RMM: 4 -0.312003276059E+03 -0.88453E-04 -0.10655E-03 4811 0.818E-02 0.295E-01 RMM: 5 -0.312002717020E+03 0.55904E-03 -0.43029E-04 4388 0.557E-02 0.109E-01 RMM: 6 -0.312002731170E+03 -0.14150E-04 -0.14674E-04 3878 0.317E-02 4366 T= 6090. E= 0.68214473E+03 F= 0.63176338E+03 E0= 0.66014225E+03 EK= 0.50381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311529109552E+03 0.47361E+00 -0.20968E-01 8628 0.236E+01 0.359E-01 RMM: 2 -0.311554337044E+03 -0.25227E-01 -0.13442E-01 5031 0.836E-01 0.145E+00 RMM: 3 -0.311539170630E+03 0.15166E-01 -0.16653E-02 5409 0.296E-01 0.287E-01 RMM: 4 -0.311538762218E+03 0.40841E-03 -0.18141E-03 4903 0.891E-02 0.199E-01 RMM: 5 -0.311538736229E+03 0.25989E-04 -0.47455E-04 4480 0.562E-02 0.205E-01 RMM: 6 -0.311538474731E+03 0.26150E-03 -0.22217E-04 3892 0.397E-02 0.749E-02 RMM: 7 -0.311538544850E+03 -0.70118E-04 -0.10761E-04 3788 0.279E-02 0.124E-01 RMM: 8 -0.311538457751E+03 0.87099E-04 -0.48926E-05 3264 0.218E-02 0.492E-02 RMM: 9 -0.311538445944E+03 0.11807E-04 -0.14075E-05 2522 0.113E-02 4367 T= 6220. E= 0.68391502E+03 F= 0.63245510E+03 E0= 0.66083547E+03 EK= 0.51460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311114114263E+03 0.42434E+00 -0.22939E-01 8868 0.239E+01 0.375E-01 RMM: 2 -0.311143852735E+03 -0.29738E-01 -0.14540E-01 4985 0.867E-01 0.163E+00 RMM: 3 -0.311125136584E+03 0.18716E-01 -0.17762E-02 5405 0.308E-01 0.347E-01 RMM: 4 -0.311124482715E+03 0.65387E-03 -0.23484E-03 5126 0.105E-01 0.217E-01 RMM: 5 -0.311124422923E+03 0.59792E-04 -0.44142E-04 4182 0.514E-02 0.207E-01 RMM: 6 -0.311124135752E+03 0.28717E-03 -0.16255E-04 3872 0.351E-02 0.492E-02 RMM: 7 -0.311124167116E+03 -0.31364E-04 -0.64206E-05 3401 0.212E-02 0.879E-02 RMM: 8 -0.311124121386E+03 0.45730E-04 -0.35550E-05 2951 0.194E-02 0.357E-02 RMM: 9 -0.311124115033E+03 0.63527E-05 -0.10100E-05 2476 0.937E-03 4368 T= 6437. E= 0.68634685E+03 F= 0.63309728E+03 E0= 0.66147548E+03 EK= 0.53250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310769936484E+03 0.35418E+00 -0.24804E-01 8856 0.243E+01 0.320E-01 RMM: 2 -0.310793404313E+03 -0.23468E-01 -0.15611E-01 5077 0.878E-01 0.124E+00 RMM: 3 -0.310782114843E+03 0.11289E-01 -0.15620E-02 5672 0.259E-01 0.247E-01 RMM: 4 -0.310782035415E+03 0.79427E-04 -0.16980E-03 4952 0.943E-02 0.283E-01 RMM: 5 -0.310781610741E+03 0.42467E-03 -0.45107E-04 4359 0.544E-02 0.159E-01 RMM: 6 -0.310781464717E+03 0.14602E-03 -0.14762E-04 3870 0.319E-02 0.712E-02 RMM: 7 -0.310781532658E+03 -0.67941E-04 -0.10263E-04 3788 0.269E-02 0.122E-01 RMM: 8 -0.310781436083E+03 0.96575E-04 -0.50406E-05 3275 0.219E-02 0.340E-02 RMM: 9 -0.310781434059E+03 0.20239E-05 -0.11808E-05 2501 0.976E-03 4369 T= 6673. E= 0.68887023E+03 F= 0.63366736E+03 E0= 0.66204230E+03 EK= 0.55203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310514558678E+03 0.26688E+00 -0.26289E-01 8808 0.246E+01 0.321E-01 RMM: 2 -0.310538165471E+03 -0.23607E-01 -0.17317E-01 5040 0.930E-01 0.115E+00 RMM: 3 -0.310528298573E+03 0.98669E-02 -0.17639E-02 5783 0.266E-01 0.246E-01 RMM: 4 -0.310528164411E+03 0.13416E-03 -0.17129E-03 4985 0.958E-02 0.285E-01 RMM: 5 -0.310527782357E+03 0.38205E-03 -0.42602E-04 4150 0.509E-02 0.175E-01 RMM: 6 -0.310527588243E+03 0.19411E-03 -0.17238E-04 3878 0.358E-02 0.618E-02 RMM: 7 -0.310527652573E+03 -0.64329E-04 -0.84527E-05 3607 0.245E-02 0.114E-01 RMM: 8 -0.310527571324E+03 0.81249E-04 -0.46108E-05 3194 0.211E-02 0.355E-02 RMM: 9 -0.310527567864E+03 0.34593E-05 -0.12331E-05 2505 0.102E-02 4370 T= 6844. E= 0.69077089E+03 F= 0.63414874E+03 E0= 0.66252023E+03 EK= 0.56622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310367949431E+03 0.15962E+00 -0.27439E-01 8880 0.248E+01 0.303E-01 RMM: 2 -0.310392457928E+03 -0.24508E-01 -0.18782E-01 5020 0.964E-01 0.109E+00 RMM: 3 -0.310383251695E+03 0.92062E-02 -0.18516E-02 5894 0.261E-01 0.206E-01 RMM: 4 -0.310383315618E+03 -0.63923E-04 -0.16852E-03 5066 0.989E-02 0.320E-01 RMM: 5 -0.310382693785E+03 0.62183E-03 -0.48593E-04 4438 0.569E-02 0.133E-01 RMM: 6 -0.310382607556E+03 0.86229E-04 -0.13844E-04 3864 0.304E-02 0.780E-02 RMM: 7 -0.310382656551E+03 -0.48995E-04 -0.90011E-05 3698 0.253E-02 0.115E-01 RMM: 8 -0.310382573002E+03 0.83549E-04 -0.46690E-05 3219 0.211E-02 0.342E-02 RMM: 9 -0.310382571500E+03 0.15016E-05 -0.12201E-05 2499 0.995E-03 4371 T= 6884. E= 0.69146859E+03 F= 0.63452317E+03 E0= 0.66289248E+03 EK= 0.56945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310355347682E+03 0.27225E-01 -0.27024E-01 8880 0.247E+01 0.314E-01 RMM: 2 -0.310380144714E+03 -0.24797E-01 -0.19415E-01 5021 0.985E-01 0.109E+00 RMM: 3 -0.310371124758E+03 0.90200E-02 -0.19410E-02 5833 0.273E-01 0.243E-01 RMM: 4 -0.310370972519E+03 0.15224E-03 -0.16878E-03 5060 0.961E-02 0.287E-01 RMM: 5 -0.310370540082E+03 0.43244E-03 -0.43110E-04 4192 0.512E-02 0.163E-01 RMM: 6 -0.310370386691E+03 0.15339E-03 -0.17172E-04 3879 0.352E-02 0.745E-02 RMM: 7 -0.310370456034E+03 -0.69344E-04 -0.10608E-04 3795 0.274E-02 0.124E-01 RMM: 8 -0.310370355926E+03 0.10011E-03 -0.55370E-05 3331 0.226E-02 0.323E-02 RMM: 9 -0.310370354739E+03 0.11870E-05 -0.11914E-05 2504 0.995E-03 4372 T= 6775. E= 0.69081727E+03 F= 0.63476930E+03 E0= 0.66313840E+03 EK= 0.56048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310498678408E+03 -0.12832E+00 -0.26153E-01 8640 0.244E+01 0.306E-01 RMM: 2 -0.310524101149E+03 -0.25423E-01 -0.18977E-01 4989 0.983E-01 0.114E+00 RMM: 3 -0.310514270667E+03 0.98305E-02 -0.19215E-02 5877 0.268E-01 0.225E-01 RMM: 4 -0.310514161647E+03 0.10902E-03 -0.17199E-03 5131 0.100E-01 0.293E-01 RMM: 5 -0.310513667337E+03 0.49431E-03 -0.49307E-04 4490 0.575E-02 0.148E-01 RMM: 6 -0.310513560417E+03 0.10692E-03 -0.15900E-04 3874 0.329E-02 0.841E-02 RMM: 7 -0.310513619124E+03 -0.58707E-04 -0.10466E-04 3790 0.272E-02 0.125E-01 RMM: 8 -0.310513520123E+03 0.99001E-04 -0.52920E-05 3304 0.221E-02 0.344E-02 RMM: 9 -0.310513518351E+03 0.17720E-05 -0.11488E-05 2496 0.961E-03 4373 T= 6566. E= 0.68918487E+03 F= 0.63486703E+03 E0= 0.66323833E+03 EK= 0.54318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310817672590E+03 -0.30415E+00 -0.23298E-01 8808 0.241E+01 0.297E-01 RMM: 2 -0.310837619109E+03 -0.19947E-01 -0.16439E-01 4984 0.905E-01 0.940E-01 RMM: 3 -0.310830885529E+03 0.67336E-02 -0.16769E-02 5857 0.254E-01 0.230E-01 RMM: 4 -0.310830850756E+03 0.34773E-04 -0.14561E-03 5029 0.910E-02 0.297E-01 RMM: 5 -0.310830330063E+03 0.52069E-03 -0.44548E-04 4409 0.540E-02 0.147E-01 RMM: 6 -0.310830232313E+03 0.97750E-04 -0.17983E-04 3885 0.352E-02 0.915E-02 RMM: 7 -0.310830282816E+03 -0.50503E-04 -0.10416E-04 3786 0.278E-02 0.125E-01 RMM: 8 -0.310830181702E+03 0.10111E-03 -0.54023E-05 3318 0.221E-02 0.308E-02 RMM: 9 -0.310830182003E+03 -0.30132E-06 -0.11752E-05 2495 0.974E-03 4374 T= 6338. E= 0.68723573E+03 F= 0.63479990E+03 E0= 0.66317543E+03 EK= 0.52436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311311641960E+03 -0.48146E+00 -0.22117E-01 8472 0.238E+01 0.297E-01 RMM: 2 -0.311331843927E+03 -0.20202E-01 -0.15926E-01 5008 0.896E-01 0.980E-01 RMM: 3 -0.311324368898E+03 0.74750E-02 -0.16225E-02 5841 0.245E-01 0.224E-01 RMM: 4 -0.311324379762E+03 -0.10864E-04 -0.15711E-03 5027 0.968E-02 0.308E-01 RMM: 5 -0.311323804671E+03 0.57509E-03 -0.51791E-04 4543 0.598E-02 0.144E-01 RMM: 6 -0.311323719155E+03 0.85516E-04 -0.16488E-04 3881 0.334E-02 0.931E-02 RMM: 7 -0.311323765962E+03 -0.46807E-04 -0.95998E-05 3737 0.265E-02 0.125E-01 RMM: 8 -0.311323665296E+03 0.10067E-03 -0.49506E-05 3263 0.214E-02 0.320E-02 RMM: 9 -0.311323664988E+03 0.30856E-06 -0.11728E-05 2493 0.968E-03 4375 T= 6171. E= 0.68561667E+03 F= 0.63456491E+03 E0= 0.66294654E+03 EK= 0.51052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311970168143E+03 -0.64650E+00 -0.19448E-01 8292 0.237E+01 0.308E-01 RMM: 2 -0.311986680957E+03 -0.16513E-01 -0.13343E-01 4980 0.824E-01 0.919E-01 RMM: 3 -0.311980360742E+03 0.63202E-02 -0.14012E-02 5791 0.238E-01 0.218E-01 RMM: 4 -0.311980606851E+03 -0.24611E-03 -0.14923E-03 4964 0.933E-02 0.343E-01 RMM: 5 -0.311979907420E+03 0.69943E-03 -0.48580E-04 4469 0.569E-02 0.153E-01 RMM: 6 -0.311979789100E+03 0.11832E-03 -0.17372E-04 3884 0.344E-02 0.870E-02 RMM: 7 -0.311979846109E+03 -0.57009E-04 -0.10041E-04 3761 0.274E-02 0.127E-01 RMM: 8 -0.311979741815E+03 0.10429E-03 -0.50718E-05 3280 0.216E-02 0.299E-02 RMM: 9 -0.311979743090E+03 -0.12757E-05 -0.12324E-05 2497 0.994E-03 4376 T= 6113. E= 0.68474926E+03 F= 0.63417520E+03 E0= 0.66256399E+03 EK= 0.50574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312760296706E+03 -0.78055E+00 -0.18597E-01 7968 0.238E+01 0.314E-01 RMM: 2 -0.312777632885E+03 -0.17336E-01 -0.13488E-01 4901 0.838E-01 0.966E-01 RMM: 3 -0.312770754963E+03 0.68779E-02 -0.14988E-02 5814 0.238E-01 0.218E-01 RMM: 4 -0.312771051628E+03 -0.29667E-03 -0.16823E-03 5078 0.100E-01 0.361E-01 RMM: 5 -0.312770234409E+03 0.81722E-03 -0.57891E-04 4571 0.636E-02 0.140E-01 RMM: 6 -0.312770144767E+03 0.89641E-04 -0.14986E-04 3880 0.313E-02 0.856E-02 RMM: 7 -0.312770185662E+03 -0.40895E-04 -0.87829E-05 3700 0.253E-02 0.117E-01 RMM: 8 -0.312770097052E+03 0.88610E-04 -0.41371E-05 3156 0.197E-02 0.313E-02 RMM: 9 -0.312770097313E+03 -0.26129E-06 -0.11982E-05 2492 0.964E-03 4377 T= 6178. E= 0.68476337E+03 F= 0.63365703E+03 E0= 0.66205369E+03 EK= 0.51106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313645104538E+03 -0.87501E+00 -0.18813E-01 7872 0.241E+01 0.329E-01 RMM: 2 -0.313662363636E+03 -0.17259E-01 -0.14226E-01 4854 0.880E-01 0.939E-01 RMM: 3 -0.313656088663E+03 0.62750E-02 -0.16249E-02 5775 0.250E-01 0.224E-01 RMM: 4 -0.313656483526E+03 -0.39486E-03 -0.16911E-03 5095 0.995E-02 0.385E-01 RMM: 5 -0.313655530923E+03 0.95260E-03 -0.54396E-04 4551 0.607E-02 0.139E-01 RMM: 6 -0.313655437363E+03 0.93560E-04 -0.15763E-04 3881 0.320E-02 0.836E-02 RMM: 7 -0.313655485144E+03 -0.47782E-04 -0.89109E-05 3716 0.255E-02 0.121E-01 RMM: 8 -0.313655389652E+03 0.95492E-04 -0.45599E-05 3215 0.204E-02 0.291E-02 RMM: 9 -0.313655391959E+03 -0.23074E-05 -0.12359E-05 2498 0.982E-03 4378 T= 6340. E= 0.68549887E+03 F= 0.63304755E+03 E0= 0.66145146E+03 EK= 0.52451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314581153531E+03 -0.92576E+00 -0.18808E-01 7656 0.245E+01 0.333E-01 RMM: 2 -0.314597773679E+03 -0.16620E-01 -0.13103E-01 4943 0.843E-01 0.977E-01 RMM: 3 -0.314591067165E+03 0.67065E-02 -0.14630E-02 5771 0.237E-01 0.224E-01 RMM: 4 -0.314591547335E+03 -0.48017E-03 -0.17130E-03 5036 0.999E-02 0.397E-01 RMM: 5 -0.314590532133E+03 0.10152E-02 -0.60951E-04 4592 0.655E-02 0.137E-01 RMM: 6 -0.314590435875E+03 0.96258E-04 -0.14561E-04 3881 0.305E-02 0.797E-02 RMM: 7 -0.314590472074E+03 -0.36200E-04 -0.87096E-05 3753 0.252E-02 0.112E-01 RMM: 8 -0.314590390944E+03 0.81131E-04 -0.38762E-05 3112 0.190E-02 0.291E-02 RMM: 9 -0.314590393889E+03 -0.29452E-05 -0.12503E-05 2494 0.987E-03 4379 T= 6545. E= 0.68653584E+03 F= 0.63239053E+03 E0= 0.66080029E+03 EK= 0.54145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315527284190E+03 -0.93689E+00 -0.18701E-01 7836 0.249E+01 0.342E-01 RMM: 2 -0.315542880680E+03 -0.15596E-01 -0.12508E-01 5005 0.833E-01 0.969E-01 RMM: 3 -0.315536533023E+03 0.63477E-02 -0.14041E-02 5700 0.235E-01 0.234E-01 RMM: 4 -0.315537090379E+03 -0.55736E-03 -0.17298E-03 4987 0.101E-01 0.413E-01 RMM: 5 -0.315535972671E+03 0.11177E-02 -0.59517E-04 4584 0.638E-02 0.130E-01 RMM: 6 -0.315535897786E+03 0.74884E-04 -0.15188E-04 3880 0.313E-02 0.855E-02 RMM: 7 -0.315535935313E+03 -0.37527E-04 -0.85775E-05 3743 0.250E-02 0.116E-01 RMM: 8 -0.315535845752E+03 0.89561E-04 -0.43020E-05 3170 0.198E-02 0.281E-02 RMM: 9 -0.315535848997E+03 -0.32450E-05 -0.12841E-05 2496 0.100E-02 4380 T= 6717. E= 0.68729174E+03 F= 0.63172511E+03 E0= 0.66013697E+03 EK= 0.55567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316462514361E+03 -0.92667E+00 -0.19393E-01 7740 0.251E+01 0.345E-01 RMM: 2 -0.316479847134E+03 -0.17333E-01 -0.13062E-01 4949 0.856E-01 0.105E+00 RMM: 3 -0.316472252619E+03 0.75945E-02 -0.14892E-02 5712 0.240E-01 0.220E-01 RMM: 4 -0.316472835620E+03 -0.58300E-03 -0.17991E-03 5037 0.102E-01 0.414E-01 RMM: 5 -0.316471741583E+03 0.10940E-02 -0.64105E-04 4603 0.675E-02 0.143E-01 RMM: 6 -0.316471632592E+03 0.10899E-03 -0.15470E-04 3884 0.312E-02 0.790E-02 RMM: 7 -0.316471668534E+03 -0.35942E-04 -0.91899E-05 3812 0.262E-02 0.110E-01 RMM: 8 -0.316471589464E+03 0.79070E-04 -0.39843E-05 3129 0.191E-02 0.288E-02 RMM: 9 -0.316471592046E+03 -0.25821E-05 -0.11479E-05 2494 0.947E-03 4381 T= 6789. E= 0.68723239E+03 F= 0.63107278E+03 E0= 0.65948224E+03 EK= 0.56160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317394487685E+03 -0.92290E+00 -0.19074E-01 7800 0.251E+01 0.336E-01 RMM: 2 -0.317407061087E+03 -0.12573E-01 -0.10082E-01 5076 0.763E-01 0.913E-01 RMM: 3 -0.317401552830E+03 0.55083E-02 -0.11029E-02 5621 0.214E-01 0.230E-01 RMM: 4 -0.317402201564E+03 -0.64873E-03 -0.15966E-03 4906 0.979E-02 0.418E-01 RMM: 5 -0.317401059751E+03 0.11418E-02 -0.62025E-04 4597 0.663E-02 0.127E-01 RMM: 6 -0.317400999963E+03 0.59788E-04 -0.16288E-04 3891 0.324E-02 0.932E-02 RMM: 7 -0.317401024307E+03 -0.24344E-04 -0.83714E-05 3701 0.255E-02 0.113E-01 RMM: 8 -0.317400940611E+03 0.83696E-04 -0.39661E-05 3111 0.192E-02 0.284E-02 RMM: 9 -0.317400943234E+03 -0.26226E-05 -0.12150E-05 2488 0.979E-03 4382 T= 6733. E= 0.68612929E+03 F= 0.63043254E+03 E0= 0.65883386E+03 EK= 0.55697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318339382835E+03 -0.93844E+00 -0.19170E-01 7632 0.248E+01 0.334E-01 RMM: 2 -0.318354207510E+03 -0.14825E-01 -0.11077E-01 4921 0.804E-01 0.100E+00 RMM: 3 -0.318347363541E+03 0.68440E-02 -0.12678E-02 5637 0.228E-01 0.215E-01 RMM: 4 -0.318347980504E+03 -0.61696E-03 -0.17007E-03 5043 0.101E-01 0.405E-01 RMM: 5 -0.318346956089E+03 0.10244E-02 -0.65181E-04 4600 0.689E-02 0.151E-01 RMM: 6 -0.318346836134E+03 0.11995E-03 -0.17240E-04 3885 0.332E-02 0.836E-02 RMM: 7 -0.318346865496E+03 -0.29362E-04 -0.88833E-05 3707 0.266E-02 0.108E-01 RMM: 8 -0.318346790844E+03 0.74652E-04 -0.38960E-05 3111 0.192E-02 0.284E-02 RMM: 9 -0.318346793903E+03 -0.30594E-05 -0.10576E-05 2488 0.906E-03 4383 T= 6575. E= 0.68418079E+03 F= 0.62978405E+03 E0= 0.65817239E+03 EK= 0.54397E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319339083359E+03 -0.99229E+00 -0.17595E-01 7656 0.245E+01 0.326E-01 RMM: 2 -0.319349443519E+03 -0.10360E-01 -0.85765E-02 5088 0.704E-01 0.833E-01 RMM: 3 -0.319344786342E+03 0.46572E-02 -0.90632E-03 5508 0.199E-01 0.230E-01 RMM: 4 -0.319345440479E+03 -0.65414E-03 -0.15015E-03 4833 0.955E-02 0.414E-01 RMM: 5 -0.319344379605E+03 0.10609E-02 -0.66820E-04 4602 0.700E-02 0.146E-01 RMM: 6 -0.319344286057E+03 0.93548E-04 -0.19028E-04 3899 0.354E-02 0.935E-02 RMM: 7 -0.319344313234E+03 -0.27178E-04 -0.87581E-05 3682 0.270E-02 0.115E-01 RMM: 8 -0.319344227801E+03 0.85433E-04 -0.40200E-05 3142 0.194E-02 0.282E-02 RMM: 9 -0.319344231866E+03 -0.40645E-05 -0.12385E-05 2494 0.995E-03 4384 T= 6382. E= 0.68189305E+03 F= 0.62909412E+03 E0= 0.65746557E+03 EK= 0.52799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320422947586E+03 -0.10787E+01 -0.16468E-01 7668 0.241E+01 0.329E-01 RMM: 2 -0.320433750939E+03 -0.10803E-01 -0.79316E-02 5087 0.678E-01 0.929E-01 RMM: 3 -0.320427961044E+03 0.57899E-02 -0.85717E-03 5504 0.194E-01 0.218E-01 RMM: 4 -0.320428668390E+03 -0.70735E-03 -0.16311E-03 4903 0.101E-01 0.410E-01 RMM: 5 -0.320427604861E+03 0.10635E-02 -0.69968E-04 4609 0.719E-02 0.148E-01 RMM: 6 -0.320427501969E+03 0.10289E-03 -0.17389E-04 3877 0.336E-02 0.898E-02 RMM: 7 -0.320427515379E+03 -0.13411E-04 -0.83137E-05 3677 0.266E-02 4385 T= 6225. E= 0.67982585E+03 F= 0.62832905E+03 E0= 0.65668143E+03 EK= 0.51497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321611142392E+03 -0.11836E+01 -0.16196E-01 7632 0.239E+01 0.354E-01 RMM: 2 -0.321618770961E+03 -0.76286E-02 -0.73068E-02 5133 0.653E-01 0.718E-01 RMM: 3 -0.321615570951E+03 0.32000E-02 -0.76773E-03 5483 0.185E-01 0.285E-01 RMM: 4 -0.321616483047E+03 -0.91210E-03 -0.17881E-03 4876 0.108E-01 0.479E-01 RMM: 5 -0.321614959413E+03 0.15236E-02 -0.83326E-04 4598 0.766E-02 0.123E-01 RMM: 6 -0.321614959417E+03 -0.37344E-08 -0.19412E-04 3888 0.354E-02 4386 T= 6155. E= 0.67838597E+03 F= 0.62746959E+03 E0= 0.65580040E+03 EK= 0.50916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322901491706E+03 -0.12865E+01 -0.16850E-01 7740 0.238E+01 0.431E-01 RMM: 2 -0.322923996458E+03 -0.22505E-01 -0.83027E-02 5092 0.708E-01 0.164E+00 RMM: 3 -0.322905961395E+03 0.18035E-01 -0.14038E-02 5344 0.288E-01 0.311E-01 RMM: 4 -0.322906143800E+03 -0.18241E-03 -0.21398E-03 5077 0.104E-01 0.366E-01 RMM: 5 -0.322905538725E+03 0.60507E-03 -0.81142E-04 4602 0.758E-02 0.239E-01 RMM: 6 -0.322905189478E+03 0.34925E-03 -0.32350E-04 3913 0.478E-02 0.862E-02 RMM: 7 -0.322905262974E+03 -0.73497E-04 -0.12819E-04 3842 0.312E-02 0.135E-01 RMM: 8 -0.322905153531E+03 0.10944E-03 -0.63710E-05 3476 0.245E-02 0.476E-02 RMM: 9 -0.322905146354E+03 0.71766E-05 -0.15143E-05 2531 0.116E-02 4387 T= 6191. E= 0.67773218E+03 F= 0.62651501E+03 E0= 0.65482668E+03 EK= 0.51217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324271667579E+03 -0.13665E+01 -0.17241E-01 7692 0.239E+01 0.437E-01 RMM: 2 -0.324295683108E+03 -0.24016E-01 -0.86812E-02 5002 0.728E-01 0.169E+00 RMM: 3 -0.324276646403E+03 0.19037E-01 -0.14379E-02 5346 0.291E-01 0.392E-01 RMM: 4 -0.324276352506E+03 0.29390E-03 -0.27397E-03 5263 0.120E-01 0.353E-01 RMM: 5 -0.324275820537E+03 0.53197E-03 -0.67065E-04 4596 0.696E-02 0.233E-01 RMM: 6 -0.324275450517E+03 0.37002E-03 -0.19396E-04 3878 0.370E-02 0.520E-02 RMM: 7 -0.324275492511E+03 -0.41994E-04 -0.77642E-05 3555 0.231E-02 0.987E-02 RMM: 8 -0.324275430430E+03 0.62081E-04 -0.37779E-05 3054 0.198E-02 0.329E-02 RMM: 9 -0.324275425670E+03 0.47595E-05 -0.89546E-06 2476 0.846E-03 4388 T= 6319. E= 0.67776335E+03 F= 0.62548558E+03 E0= 0.65377619E+03 EK= 0.52278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325678984780E+03 -0.14036E+01 -0.18130E-01 7608 0.242E+01 0.401E-01 RMM: 2 -0.325695048383E+03 -0.16064E-01 -0.90649E-02 5050 0.731E-01 0.126E+00 RMM: 3 -0.325684324740E+03 0.10724E-01 -0.11301E-02 5383 0.241E-01 0.280E-01 RMM: 4 -0.325685237657E+03 -0.91292E-03 -0.23778E-03 5163 0.116E-01 0.473E-01 RMM: 5 -0.325683851652E+03 0.13860E-02 -0.86518E-04 4605 0.783E-02 0.181E-01 RMM: 6 -0.325683662158E+03 0.18949E-03 -0.19962E-04 3879 0.366E-02 0.783E-02 RMM: 7 -0.325683712807E+03 -0.50649E-04 -0.10211E-04 3785 0.280E-02 0.119E-01 RMM: 8 -0.325683622739E+03 0.90069E-04 -0.47136E-05 3264 0.211E-02 0.356E-02 RMM: 9 -0.325683623771E+03 -0.10319E-05 -0.13179E-05 2510 0.103E-02 4389 T= 6494. E= 0.67814556E+03 F= 0.62442165E+03 E0= 0.65269163E+03 EK= 0.53724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327073216771E+03 -0.13896E+01 -0.18825E-01 7752 0.245E+01 0.386E-01 RMM: 2 -0.327086802739E+03 -0.13586E-01 -0.98365E-02 4970 0.764E-01 0.106E+00 RMM: 3 -0.327079394706E+03 0.74080E-02 -0.11596E-02 5430 0.237E-01 0.268E-01 RMM: 4 -0.327080505582E+03 -0.11109E-02 -0.21302E-03 5092 0.110E-01 0.496E-01 RMM: 5 -0.327078946533E+03 0.15590E-02 -0.79259E-04 4593 0.745E-02 0.162E-01 RMM: 6 -0.327078788594E+03 0.15794E-03 -0.18732E-04 3874 0.351E-02 0.695E-02 RMM: 7 -0.327078842654E+03 -0.54060E-04 -0.81844E-05 3588 0.252E-02 0.115E-01 RMM: 8 -0.327078759496E+03 0.83158E-04 -0.41509E-05 3164 0.199E-02 0.281E-02 RMM: 9 -0.327078765873E+03 -0.63763E-05 -0.13555E-05 2507 0.104E-02 4390 T= 6650. E= 0.67839085E+03 F= 0.62337372E+03 E0= 0.65162352E+03 EK= 0.55017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328406284100E+03 -0.13275E+01 -0.18937E-01 7788 0.246E+01 0.371E-01 RMM: 2 -0.328417829971E+03 -0.11546E-01 -0.96132E-02 4989 0.748E-01 0.897E-01 RMM: 3 -0.328412517836E+03 0.53121E-02 -0.10827E-02 5545 0.214E-01 0.259E-01 RMM: 4 -0.328413536366E+03 -0.10185E-02 -0.21276E-03 5093 0.114E-01 0.485E-01 RMM: 5 -0.328411991027E+03 0.15453E-02 -0.88548E-04 4605 0.802E-02 0.138E-01 RMM: 6 -0.328411894434E+03 0.96592E-04 -0.16434E-04 3877 0.325E-02 0.801E-02 RMM: 7 -0.328411909183E+03 -0.14749E-04 -0.76732E-05 3589 0.251E-02 4391 T= 6726. E= 0.67803159E+03 F= 0.62239179E+03 E0= 0.65062362E+03 EK= 0.55640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329642476611E+03 -0.12306E+01 -0.18912E-01 7728 0.246E+01 0.389E-01 RMM: 2 -0.329653666929E+03 -0.11190E-01 -0.10484E-01 4913 0.778E-01 0.814E-01 RMM: 3 -0.329649647773E+03 0.40192E-02 -0.12313E-02 5631 0.221E-01 0.301E-01 RMM: 4 -0.329650726985E+03 -0.10792E-02 -0.23095E-03 5207 0.120E-01 0.527E-01 RMM: 5 -0.329648883540E+03 0.18434E-02 -0.10478E-03 4604 0.871E-02 0.129E-01 RMM: 6 -0.329648846759E+03 0.36781E-04 -0.20239E-04 3876 0.360E-02 0.115E-01 RMM: 7 -0.329648834459E+03 0.12300E-04 -0.97018E-05 3743 0.289E-02 4392 T= 6688. E= 0.67683969E+03 F= 0.62151226E+03 E0= 0.64973094E+03 EK= 0.55327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330768824141E+03 -0.11200E+01 -0.20174E-01 8004 0.244E+01 0.376E-01 RMM: 2 -0.330782458261E+03 -0.13634E-01 -0.12115E-01 4816 0.840E-01 0.867E-01 RMM: 3 -0.330777366766E+03 0.50915E-02 -0.14157E-02 5704 0.234E-01 0.270E-01 RMM: 4 -0.330778371756E+03 -0.10050E-02 -0.23294E-03 5258 0.121E-01 0.504E-01 RMM: 5 -0.330776711212E+03 0.16605E-02 -0.99946E-04 4605 0.854E-02 0.138E-01 RMM: 6 -0.330776636520E+03 0.74692E-04 -0.20679E-04 3878 0.371E-02 0.983E-02 RMM: 7 -0.330776656198E+03 -0.19678E-04 -0.91535E-05 3723 0.280E-02 4393 T= 6552. E= 0.67495405E+03 F= 0.62075052E+03 E0= 0.64896098E+03 EK= 0.54204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331797611928E+03 -0.10210E+01 -0.18141E-01 7764 0.240E+01 0.373E-01 RMM: 2 -0.331807638365E+03 -0.10026E-01 -0.91225E-02 4962 0.725E-01 0.812E-01 RMM: 3 -0.331803431792E+03 0.42066E-02 -0.10404E-02 5604 0.208E-01 0.277E-01 RMM: 4 -0.331804508556E+03 -0.10768E-02 -0.21915E-03 5179 0.119E-01 0.512E-01 RMM: 5 -0.331802771926E+03 0.17366E-02 -0.10536E-03 4608 0.886E-02 0.129E-01 RMM: 6 -0.331802749805E+03 0.22121E-04 -0.24877E-04 3887 0.408E-02 0.123E-01 RMM: 7 -0.331802711844E+03 0.37961E-04 -0.95559E-05 3758 0.303E-02 0.987E-02 RMM: 8 -0.331802650607E+03 0.61237E-04 -0.29647E-05 2944 0.168E-02 0.310E-02 RMM: 9 -0.331802663402E+03 -0.12795E-04 -0.16215E-05 2525 0.113E-02 4394 T= 6371. E= 0.67280961E+03 F= 0.62010108E+03 E0= 0.64831141E+03 EK= 0.52709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332738408187E+03 -0.93576E+00 -0.17134E-01 7644 0.237E+01 0.340E-01 RMM: 2 -0.332748772471E+03 -0.10364E-01 -0.91271E-02 4874 0.713E-01 0.798E-01 RMM: 3 -0.332744398227E+03 0.43742E-02 -0.10305E-02 5613 0.205E-01 0.231E-01 RMM: 4 -0.332745311308E+03 -0.91308E-03 -0.18150E-03 5130 0.110E-01 0.462E-01 RMM: 5 -0.332743899764E+03 0.14115E-02 -0.73477E-04 4605 0.733E-02 0.112E-01 RMM: 6 -0.332743888950E+03 0.10814E-04 -0.19409E-04 3885 0.357E-02 4395 T= 6211. E= 0.67093037E+03 F= 0.61954721E+03 E0= 0.64776358E+03 EK= 0.51383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333612902953E+03 -0.86900E+00 -0.16809E-01 7800 0.234E+01 0.465E-01 RMM: 2 -0.333632169949E+03 -0.19267E-01 -0.86874E-02 5011 0.714E-01 0.148E+00 RMM: 3 -0.333617324535E+03 0.14845E-01 -0.13409E-02 5382 0.273E-01 0.321E-01 RMM: 4 -0.333618451160E+03 -0.11266E-02 -0.30275E-03 5325 0.133E-01 0.535E-01 RMM: 5 -0.333616869035E+03 0.15821E-02 -0.13064E-03 4608 0.970E-02 0.265E-01 RMM: 6 -0.333616471345E+03 0.39769E-03 -0.46005E-04 4378 0.566E-02 0.119E-01 RMM: 7 -0.333616553694E+03 -0.82349E-04 -0.18279E-04 3880 0.381E-02 0.166E-01 RMM: 8 -0.333616375183E+03 0.17851E-03 -0.10236E-04 3820 0.307E-02 0.438E-02 RMM: 9 -0.333616392395E+03 -0.17212E-04 -0.28033E-05 2886 0.153E-02 4396 T= 6124. E= 0.66973106E+03 F= 0.61907131E+03 E0= 0.64730117E+03 EK= 0.50660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334419837101E+03 -0.80346E+00 -0.17054E-01 7968 0.234E+01 0.422E-01 RMM: 2 -0.334442360972E+03 -0.22524E-01 -0.91220E-02 4789 0.739E-01 0.158E+00 RMM: 3 -0.334425022585E+03 0.17338E-01 -0.14099E-02 5375 0.284E-01 0.332E-01 RMM: 4 -0.334425398238E+03 -0.37565E-03 -0.28742E-03 5317 0.126E-01 0.424E-01 RMM: 5 -0.334424641123E+03 0.75712E-03 -0.90556E-04 4608 0.826E-02 0.276E-01 RMM: 6 -0.334424122582E+03 0.51854E-03 -0.28259E-04 3911 0.448E-02 0.547E-02 RMM: 7 -0.334424198289E+03 -0.75707E-04 -0.99007E-05 3702 0.265E-02 0.120E-01 RMM: 8 -0.334424104325E+03 0.93964E-04 -0.44746E-05 3223 0.212E-02 0.253E-02 RMM: 9 -0.334424106326E+03 -0.20012E-05 -0.94550E-06 2489 0.882E-03 4397 T= 6135. E= 0.66941748E+03 F= 0.61866653E+03 E0= 0.64691311E+03 EK= 0.50751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335152277365E+03 -0.72817E+00 -0.16909E-01 8004 0.235E+01 0.423E-01 RMM: 2 -0.335166029143E+03 -0.13752E-01 -0.85688E-02 4928 0.714E-01 0.116E+00 RMM: 3 -0.335156926621E+03 0.91025E-02 -0.11019E-02 5426 0.236E-01 0.311E-01 RMM: 4 -0.335158004891E+03 -0.10783E-02 -0.28078E-03 5276 0.130E-01 0.527E-01 RMM: 5 -0.335156279987E+03 0.17249E-02 -0.11647E-03 4608 0.936E-02 0.191E-01 RMM: 6 -0.335156089400E+03 0.19059E-03 -0.26025E-04 3891 0.418E-02 0.101E-01 RMM: 7 -0.335156119107E+03 -0.29707E-04 -0.12571E-04 3856 0.320E-02 0.126E-01 RMM: 8 -0.335156016637E+03 0.10247E-03 -0.62705E-05 3405 0.236E-02 0.343E-02 RMM: 9 -0.335156025905E+03 -0.92682E-05 -0.15953E-05 2533 0.115E-02 4398 T= 6240. E= 0.66995931E+03 F= 0.61834036E+03 E0= 0.64660446E+03 EK= 0.51619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335785241084E+03 -0.62922E+00 -0.17166E-01 7968 0.238E+01 0.395E-01 RMM: 2 -0.335796288802E+03 -0.11048E-01 -0.88369E-02 4894 0.713E-01 0.936E-01 RMM: 3 -0.335790450476E+03 0.58383E-02 -0.10845E-02 5465 0.226E-01 0.295E-01 RMM: 4 -0.335791630706E+03 -0.11802E-02 -0.23492E-03 5206 0.119E-01 0.530E-01 RMM: 5 -0.335789849000E+03 0.17817E-02 -0.98598E-04 4605 0.849E-02 0.160E-01 RMM: 6 -0.335789719199E+03 0.12980E-03 -0.21633E-04 3886 0.381E-02 0.919E-02 RMM: 7 -0.335789760511E+03 -0.41312E-04 -0.89008E-05 3642 0.266E-02 0.123E-01 RMM: 8 -0.335789664635E+03 0.95876E-04 -0.45483E-05 3243 0.207E-02 0.298E-02 RMM: 9 -0.335789672727E+03 -0.80917E-05 -0.15452E-05 2517 0.113E-02 4399 T= 6405. E= 0.67109637E+03 F= 0.61811234E+03 E0= 0.64639232E+03 EK= 0.52984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336289676204E+03 -0.50001E+00 -0.17971E-01 7728 0.241E+01 0.397E-01 RMM: 2 -0.336301454697E+03 -0.11778E-01 -0.10682E-01 4833 0.782E-01 0.847E-01 RMM: 3 -0.336296624821E+03 0.48299E-02 -0.12434E-02 5531 0.232E-01 0.316E-01 RMM: 4 -0.336297661385E+03 -0.10366E-02 -0.24650E-03 5243 0.124E-01 0.527E-01 RMM: 5 -0.336295830173E+03 0.18312E-02 -0.10698E-03 4600 0.883E-02 0.145E-01 RMM: 6 -0.336295748458E+03 0.81716E-04 -0.20318E-04 3890 0.363E-02 0.104E-01 RMM: 7 -0.336295747181E+03 0.12767E-05 -0.90949E-05 3706 0.274E-02 4400 T= 6573. E= 0.67239000E+03 F= 0.61801026E+03 E0= 0.64630350E+03 EK= 0.54380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336648158708E+03 -0.35241E+00 -0.17401E-01 7944 0.243E+01 0.411E-01 RMM: 2 -0.336656479297E+03 -0.83206E-02 -0.82808E-02 4934 0.687E-01 0.754E-01 RMM: 3 -0.336652935838E+03 0.35435E-02 -0.94562E-03 5462 0.211E-01 0.345E-01 RMM: 4 -0.336653935601E+03 -0.99976E-03 -0.21668E-03 5183 0.116E-01 0.538E-01 RMM: 5 -0.336652030219E+03 0.19054E-02 -0.10463E-03 4608 0.878E-02 0.133E-01 RMM: 6 -0.336652028903E+03 0.13158E-05 -0.24132E-04 3882 0.394E-02 0.139E-01 RMM: 7 -0.336651974151E+03 0.54752E-04 -0.10380E-04 3848 0.300E-02 0.109E-01 RMM: 8 -0.336651899868E+03 0.74283E-04 -0.44770E-05 3235 0.198E-02 0.334E-02 RMM: 9 -0.336651923874E+03 -0.24006E-04 -0.22184E-05 2613 0.135E-02 0.620E-02 RMM: 10 -0.336651907527E+03 0.16347E-04 -0.14786E-05 2512 0.127E-02 4401 T= 6683. E= 0.67334682E+03 F= 0.61805680E+03 E0= 0.64635981E+03 EK= 0.55290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336845918781E+03 -0.19399E+00 -0.18167E-01 7620 0.244E+01 0.356E-01 RMM: 2 -0.336855633327E+03 -0.97145E-02 -0.98598E-02 4789 0.762E-01 0.703E-01 RMM: 3 -0.336852508671E+03 0.31247E-02 -0.11753E-02 5541 0.226E-01 0.286E-01 RMM: 4 -0.336853350550E+03 -0.84188E-03 -0.18760E-03 5186 0.108E-01 0.477E-01 RMM: 5 -0.336851884645E+03 0.14659E-02 -0.75758E-04 4607 0.735E-02 0.150E-01 RMM: 6 -0.336851765657E+03 0.11899E-03 -0.22716E-04 3904 0.389E-02 0.820E-02 RMM: 7 -0.336851750920E+03 0.14737E-04 -0.58200E-05 3389 0.239E-02 4402 T= 6692. E= 0.67361990E+03 F= 0.61826021E+03 E0= 0.64657092E+03 EK= 0.55360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336905820995E+03 -0.54055E-01 -0.17482E-01 7884 0.243E+01 0.413E-01 RMM: 2 -0.336911197448E+03 -0.53765E-02 -0.70962E-02 5034 0.657E-01 0.576E-01 RMM: 3 -0.336909731340E+03 0.14661E-02 -0.79779E-03 5458 0.195E-01 0.394E-01 RMM: 4 -0.336910444122E+03 -0.71278E-03 -0.20404E-03 5126 0.116E-01 0.538E-01 RMM: 5 -0.336908492553E+03 0.19516E-02 -0.11019E-03 4611 0.892E-02 0.113E-01 RMM: 6 -0.336908575355E+03 -0.82802E-04 -0.25440E-04 3894 0.408E-02 0.165E-01 RMM: 7 -0.336908447954E+03 0.12740E-03 -0.11271E-04 3854 0.324E-02 0.975E-02 RMM: 8 -0.336908391720E+03 0.56234E-04 -0.40336E-05 3163 0.186E-02 0.371E-02 RMM: 9 -0.336908414959E+03 -0.23238E-04 -0.25739E-05 2715 0.146E-02 0.623E-02 RMM: 10 -0.336908395451E+03 0.19507E-04 -0.17687E-05 2530 0.137E-02 4403 T= 6596. E= 0.67317875E+03 F= 0.61860987E+03 E0= 0.64692669E+03 EK= 0.54569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336847823222E+03 0.60592E-01 -0.17614E-01 7620 0.241E+01 0.328E-01 RMM: 2 -0.336856816672E+03 -0.89935E-02 -0.99821E-02 4711 0.771E-01 0.545E-01 RMM: 3 -0.336855065546E+03 0.17511E-02 -0.11663E-02 5776 0.208E-01 0.280E-01 RMM: 4 -0.336855557115E+03 -0.49157E-03 -0.18488E-03 5242 0.115E-01 0.436E-01 RMM: 5 -0.336854297540E+03 0.12596E-02 -0.83385E-04 4605 0.778E-02 0.981E-02 RMM: 6 -0.336854363289E+03 -0.65748E-04 -0.21401E-04 3894 0.383E-02 0.142E-01 RMM: 7 -0.336854257051E+03 0.10624E-03 -0.81981E-05 3674 0.287E-02 0.727E-02 RMM: 8 -0.336854224380E+03 0.32671E-04 -0.18518E-05 2571 0.132E-02 0.251E-02 RMM: 9 -0.336854233451E+03 -0.90712E-05 -0.12044E-05 2473 0.103E-02 4404 T= 6436. E= 0.67232115E+03 F= 0.61907548E+03 E0= 0.64740050E+03 EK= 0.53246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336728354683E+03 0.12587E+00 -0.15887E-01 7980 0.238E+01 0.379E-01 RMM: 2 -0.336733678355E+03 -0.53237E-02 -0.62402E-02 5033 0.619E-01 0.620E-01 RMM: 3 -0.336731600113E+03 0.20782E-02 -0.68765E-03 5444 0.178E-01 0.318E-01 RMM: 4 -0.336732505483E+03 -0.90537E-03 -0.20351E-03 5090 0.118E-01 0.508E-01 RMM: 5 -0.336730791989E+03 0.17135E-02 -0.10238E-03 4609 0.870E-02 0.122E-01 RMM: 6 -0.336730798012E+03 -0.60223E-05 -0.25599E-04 3908 0.416E-02 0.135E-01 RMM: 7 -0.336730721053E+03 0.76959E-04 -0.10288E-04 3814 0.322E-02 0.896E-02 RMM: 8 -0.336730672114E+03 0.48939E-04 -0.27826E-05 2859 0.162E-02 0.331E-02 RMM: 9 -0.336730691696E+03 -0.19582E-04 -0.19498E-05 2547 0.128E-02 4405 T= 6274. E= 0.67151905E+03 F= 0.61961636E+03 E0= 0.64795166E+03 EK= 0.51903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336571052080E+03 0.15962E+00 -0.16387E-01 7644 0.235E+01 0.361E-01 RMM: 2 -0.336579091021E+03 -0.80389E-02 -0.81399E-02 4856 0.695E-01 0.678E-01 RMM: 3 -0.336576109295E+03 0.29817E-02 -0.93877E-03 5578 0.197E-01 0.271E-01 RMM: 4 -0.336576804985E+03 -0.69569E-03 -0.21991E-03 5250 0.126E-01 0.455E-01 RMM: 5 -0.336575470442E+03 0.13345E-02 -0.91699E-04 4606 0.818E-02 0.121E-01 RMM: 6 -0.336575487784E+03 -0.17343E-04 -0.21090E-04 3881 0.378E-02 0.137E-01 RMM: 7 -0.336575393804E+03 0.93981E-04 -0.10533E-04 3838 0.322E-02 0.800E-02 RMM: 8 -0.336575357362E+03 0.36442E-04 -0.27573E-05 2900 0.164E-02 0.321E-02 RMM: 9 -0.336575374952E+03 -0.17589E-04 -0.16782E-05 2523 0.121E-02 4406 T= 6167. E= 0.67121408E+03 F= 0.62019386E+03 E0= 0.64854299E+03 EK= 0.51020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336413073471E+03 0.16228E+00 -0.15623E-01 7944 0.234E+01 0.371E-01 RMM: 2 -0.336419223597E+03 -0.61501E-02 -0.63513E-02 4992 0.612E-01 0.689E-01 RMM: 3 -0.336416419330E+03 0.28043E-02 -0.72504E-03 5457 0.181E-01 0.293E-01 RMM: 4 -0.336417443086E+03 -0.10238E-02 -0.20867E-03 5138 0.119E-01 0.510E-01 RMM: 5 -0.336415761496E+03 0.16816E-02 -0.10168E-03 4607 0.872E-02 0.134E-01 RMM: 6 -0.336415714219E+03 0.47277E-04 -0.21906E-04 3889 0.382E-02 0.115E-01 RMM: 7 -0.336415682927E+03 0.31292E-04 -0.94886E-05 3819 0.304E-02 0.981E-02 RMM: 8 -0.336415622563E+03 0.60363E-04 -0.33179E-05 3024 0.177E-02 0.315E-02 RMM: 9 -0.336415637629E+03 -0.15066E-04 -0.16981E-05 2525 0.119E-02 4407 T= 6153. E= 0.67167858E+03 F= 0.62077804E+03 E0= 0.64914322E+03 EK= 0.50901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336266743475E+03 0.14888E+00 -0.15387E-01 8004 0.235E+01 0.373E-01 RMM: 2 -0.336272562102E+03 -0.58186E-02 -0.61426E-02 5101 0.590E-01 0.673E-01 RMM: 3 -0.336269782582E+03 0.27795E-02 -0.65748E-03 5456 0.170E-01 0.295E-01 RMM: 4 -0.336270482529E+03 -0.69995E-03 -0.18904E-03 5010 0.115E-01 0.463E-01 RMM: 5 -0.336269107519E+03 0.13750E-02 -0.82080E-04 4610 0.774E-02 0.124E-01 RMM: 6 -0.336269073781E+03 0.33737E-04 -0.17455E-04 3878 0.338E-02 0.109E-01 RMM: 7 -0.336269031074E+03 0.42707E-04 -0.83240E-05 3753 0.283E-02 0.820E-02 RMM: 8 -0.336268991494E+03 0.39580E-04 -0.28000E-05 2933 0.165E-02 0.302E-02 RMM: 9 -0.336269008625E+03 -0.17131E-04 -0.15569E-05 2522 0.113E-02 4408 T= 6238. E= 0.67295601E+03 F= 0.62134805E+03 E0= 0.64973148E+03 EK= 0.51608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336142427507E+03 0.12656E+00 -0.15569E-01 8232 0.237E+01 0.374E-01 RMM: 2 -0.336148244600E+03 -0.58171E-02 -0.63844E-02 5029 0.600E-01 0.656E-01 RMM: 3 -0.336145737638E+03 0.25070E-02 -0.69182E-03 5438 0.180E-01 0.317E-01 RMM: 4 -0.336146578696E+03 -0.84106E-03 -0.18812E-03 5029 0.111E-01 0.493E-01 RMM: 5 -0.336144986745E+03 0.15920E-02 -0.88604E-04 4607 0.804E-02 0.118E-01 RMM: 6 -0.336144955349E+03 0.31396E-04 -0.17541E-04 3875 0.335E-02 0.105E-01 RMM: 7 -0.336144932246E+03 0.23103E-04 -0.73081E-05 3624 0.264E-02 0.924E-02 RMM: 8 -0.336144878992E+03 0.53254E-04 -0.31193E-05 2984 0.171E-02 0.294E-02 RMM: 9 -0.336144894914E+03 -0.15922E-04 -0.16393E-05 2527 0.114E-02 4409 T= 6401. E= 0.67484560E+03 F= 0.62189159E+03 E0= 0.65029355E+03 EK= 0.52954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336045945279E+03 0.98934E-01 -0.16031E-01 8268 0.240E+01 0.377E-01 RMM: 2 -0.336053306014E+03 -0.73607E-02 -0.79835E-02 4996 0.654E-01 0.657E-01 RMM: 3 -0.336050722452E+03 0.25836E-02 -0.87709E-03 5564 0.187E-01 0.316E-01 RMM: 4 -0.336051422308E+03 -0.69986E-03 -0.18933E-03 5037 0.112E-01 0.477E-01 RMM: 5 -0.336049929023E+03 0.14933E-02 -0.86056E-04 4612 0.788E-02 0.120E-01 RMM: 6 -0.336049888480E+03 0.40543E-04 -0.16497E-04 3876 0.324E-02 0.101E-01 RMM: 7 -0.336049866429E+03 0.22051E-04 -0.74053E-05 3592 0.260E-02 0.895E-02 RMM: 8 -0.336049818321E+03 0.48108E-04 -0.31341E-05 2990 0.173E-02 0.297E-02 RMM: 9 -0.336049834141E+03 -0.15820E-04 -0.16416E-05 2520 0.114E-02 4410 T= 6591. E= 0.67692237E+03 F= 0.62240068E+03 E0= 0.65082126E+03 EK= 0.54522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335987331103E+03 0.62487E-01 -0.17128E-01 8040 0.243E+01 0.376E-01 RMM: 2 -0.335996714124E+03 -0.93830E-02 -0.97539E-02 4909 0.726E-01 0.690E-01 RMM: 3 -0.335993680491E+03 0.30336E-02 -0.10741E-02 5600 0.206E-01 0.304E-01 RMM: 4 -0.335994559255E+03 -0.87876E-03 -0.19524E-03 5109 0.112E-01 0.501E-01 RMM: 5 -0.335992899333E+03 0.16599E-02 -0.89874E-04 4608 0.806E-02 0.120E-01 RMM: 6 -0.335992862304E+03 0.37029E-04 -0.18756E-04 3890 0.345E-02 0.104E-01 RMM: 7 -0.335992849127E+03 0.13177E-04 -0.76696E-05 3650 0.266E-02 4411 T= 6741. E= 0.67863324E+03 F= 0.62286683E+03 E0= 0.65130483E+03 EK= 0.55766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335985495695E+03 0.73666E-02 -0.16993E-01 7776 0.245E+01 0.409E-01 RMM: 2 -0.335993315914E+03 -0.78202E-02 -0.87585E-02 5080 0.687E-01 0.674E-01 RMM: 3 -0.335990710517E+03 0.26054E-02 -0.95368E-03 5509 0.204E-01 0.354E-01 RMM: 4 -0.335991777287E+03 -0.10668E-02 -0.21214E-03 5089 0.116E-01 0.556E-01 RMM: 5 -0.335989677028E+03 0.21003E-02 -0.11415E-03 4605 0.907E-02 0.930E-02 RMM: 6 -0.335989807683E+03 -0.13065E-03 -0.23078E-04 3891 0.388E-02 0.171E-01 RMM: 7 -0.335989648507E+03 0.15918E-03 -0.10480E-04 3869 0.312E-02 0.825E-02 RMM: 8 -0.335989613029E+03 0.35478E-04 -0.39101E-05 3096 0.183E-02 0.403E-02 RMM: 9 -0.335989638534E+03 -0.25504E-04 -0.22739E-05 2576 0.139E-02 0.647E-02 RMM: 10 -0.335989616833E+03 0.21700E-04 -0.14279E-05 2512 0.121E-02 0.144E-02 RMM: 11 -0.335989617270E+03 -0.43704E-06 -0.30781E-06 2431 0.503E-03 4412 T= 6796. E= 0.67949385E+03 F= 0.62327672E+03 E0= 0.65172978E+03 EK= 0.56217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336056706934E+03 -0.67090E-01 -0.17319E-01 7836 0.244E+01 0.343E-01 RMM: 2 -0.336066097169E+03 -0.93902E-02 -0.93437E-02 5077 0.718E-01 0.720E-01 RMM: 3 -0.336062732023E+03 0.33651E-02 -0.95440E-03 5700 0.193E-01 0.268E-01 RMM: 4 -0.336063580118E+03 -0.84809E-03 -0.19036E-03 4997 0.112E-01 0.472E-01 RMM: 5 -0.336062119731E+03 0.14604E-02 -0.89776E-04 4609 0.813E-02 0.134E-01 RMM: 6 -0.336062045993E+03 0.73738E-04 -0.21394E-04 3893 0.376E-02 0.939E-02 RMM: 7 -0.336062020483E+03 0.25510E-04 -0.68808E-05 3560 0.265E-02 0.759E-02 RMM: 8 -0.336061983493E+03 0.36990E-04 -0.16637E-05 2557 0.127E-02 0.238E-02 RMM: 9 -0.336061986494E+03 -0.30011E-05 -0.92023E-06 2463 0.862E-03 4413 T= 6733. E= 0.67931548E+03 F= 0.62361194E+03 E0= 0.65207985E+03 EK= 0.55704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336229523612E+03 -0.16754E+00 -0.16905E-01 7812 0.242E+01 0.387E-01 RMM: 2 -0.336237748042E+03 -0.82244E-02 -0.83559E-02 5202 0.682E-01 0.742E-01 RMM: 3 -0.336234259006E+03 0.34890E-02 -0.83591E-03 5598 0.191E-01 0.300E-01 RMM: 4 -0.336235396432E+03 -0.11374E-02 -0.21548E-03 5026 0.119E-01 0.535E-01 RMM: 5 -0.336233524448E+03 0.18720E-02 -0.11697E-03 4611 0.933E-02 0.133E-01 RMM: 6 -0.336233503095E+03 0.21352E-04 -0.23894E-04 3905 0.398E-02 0.129E-01 RMM: 7 -0.336233474766E+03 0.28329E-04 -0.11962E-04 3851 0.335E-02 0.115E-01 RMM: 8 -0.336233390534E+03 0.84232E-04 -0.49555E-05 3274 0.211E-02 0.340E-02 RMM: 9 -0.336233408027E+03 -0.17493E-04 -0.20865E-05 2575 0.134E-02 4414 T= 6582. E= 0.67829923E+03 F= 0.62385244E+03 E0= 0.65233459E+03 EK= 0.54447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336515029651E+03 -0.28164E+00 -0.16647E-01 7968 0.239E+01 0.369E-01 RMM: 2 -0.336523946041E+03 -0.89164E-02 -0.86179E-02 5196 0.699E-01 0.763E-01 RMM: 3 -0.336520160950E+03 0.37851E-02 -0.85821E-03 5682 0.188E-01 0.270E-01 RMM: 4 -0.336521121775E+03 -0.96083E-03 -0.22185E-03 5069 0.123E-01 0.495E-01 RMM: 5 -0.336519517922E+03 0.16039E-02 -0.11447E-03 4609 0.923E-02 0.128E-01 RMM: 6 -0.336519523697E+03 -0.57757E-05 -0.25440E-04 3912 0.413E-02 0.138E-01 RMM: 7 -0.336519461679E+03 0.62018E-04 -0.11570E-04 3853 0.335E-02 0.104E-01 RMM: 8 -0.336519394369E+03 0.67310E-04 -0.35658E-05 3040 0.182E-02 0.331E-02 RMM: 9 -0.336519406946E+03 -0.12577E-04 -0.17260E-05 2525 0.123E-02 4415 T= 6399. E= 0.67692296E+03 F= 0.62398499E+03 E0= 0.65248210E+03 EK= 0.52938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336915429601E+03 -0.39604E+00 -0.16757E-01 8136 0.236E+01 0.385E-01 RMM: 2 -0.336923201156E+03 -0.77716E-02 -0.79939E-02 5255 0.669E-01 0.738E-01 RMM: 3 -0.336919753627E+03 0.34475E-02 -0.77886E-03 5599 0.187E-01 0.290E-01 RMM: 4 -0.336920888268E+03 -0.11346E-02 -0.22205E-03 5058 0.122E-01 0.526E-01 RMM: 5 -0.336919062354E+03 0.18259E-02 -0.11478E-03 4601 0.921E-02 0.133E-01 RMM: 6 -0.336919040660E+03 0.21694E-04 -0.24218E-04 3906 0.399E-02 0.130E-01 RMM: 7 -0.336919003002E+03 0.37658E-04 -0.11566E-04 3842 0.332E-02 0.109E-01 RMM: 8 -0.336918926831E+03 0.76171E-04 -0.39813E-05 3114 0.193E-02 0.331E-02 RMM: 9 -0.336918939585E+03 -0.12754E-04 -0.17499E-05 2530 0.122E-02 4416 T= 6250. E= 0.67571613E+03 F= 0.62401112E+03 E0= 0.65252480E+03 EK= 0.51705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337407031134E+03 -0.48810E+00 -0.16811E-01 8160 0.234E+01 0.396E-01 RMM: 2 -0.337416712910E+03 -0.96818E-02 -0.83457E-02 5241 0.682E-01 0.885E-01 RMM: 3 -0.337411519254E+03 0.51937E-02 -0.83919E-03 5568 0.193E-01 0.288E-01 RMM: 4 -0.337412745555E+03 -0.12263E-02 -0.25073E-03 5147 0.130E-01 0.536E-01 RMM: 5 -0.337410917148E+03 0.18284E-02 -0.11649E-03 4607 0.930E-02 0.162E-01 RMM: 6 -0.337410799360E+03 0.11779E-03 -0.23414E-04 3897 0.391E-02 0.106E-01 RMM: 7 -0.337410811735E+03 -0.12375E-04 -0.12082E-04 3858 0.330E-02 4417 T= 6180. E= 0.67507279E+03 F= 0.62395059E+03 E0= 0.65248434E+03 EK= 0.51122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337950775213E+03 -0.53998E+00 -0.16602E-01 8412 0.234E+01 0.454E-01 RMM: 2 -0.337959138861E+03 -0.83636E-02 -0.80196E-02 5288 0.670E-01 0.872E-01 RMM: 3 -0.337954495505E+03 0.46434E-02 -0.81907E-03 5440 0.200E-01 0.356E-01 RMM: 4 -0.337956194173E+03 -0.16987E-02 -0.28706E-03 5180 0.136E-01 0.636E-01 RMM: 5 -0.337953539411E+03 0.26548E-02 -0.15143E-03 4608 0.106E-01 0.147E-01 RMM: 6 -0.337953521987E+03 0.17423E-04 -0.26707E-04 3898 0.411E-02 0.147E-01 RMM: 7 -0.337953443524E+03 0.78463E-04 -0.13518E-04 3866 0.356E-02 0.104E-01 RMM: 8 -0.337953381438E+03 0.62086E-04 -0.51799E-05 3324 0.213E-02 0.407E-02 RMM: 9 -0.337953413699E+03 -0.32262E-04 -0.23824E-05 2608 0.140E-02 0.732E-02 RMM: 10 -0.337953388360E+03 0.25340E-04 -0.18677E-05 2542 0.139E-02 0.208E-02 RMM: 11 -0.337953387272E+03 0.10877E-05 -0.41094E-06 2432 0.616E-03 4418 T= 6204. E= 0.67516755E+03 F= 0.62384227E+03 E0= 0.65240113E+03 EK= 0.51325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338490658148E+03 -0.53727E+00 -0.16936E-01 8328 0.236E+01 0.372E-01 RMM: 2 -0.338499291808E+03 -0.86337E-02 -0.85158E-02 5264 0.684E-01 0.774E-01 RMM: 3 -0.338495478731E+03 0.38131E-02 -0.82199E-03 5595 0.189E-01 0.299E-01 RMM: 4 -0.338496565027E+03 -0.10863E-02 -0.20949E-03 4953 0.116E-01 0.523E-01 RMM: 5 -0.338494817640E+03 0.17474E-02 -0.96490E-04 4595 0.834E-02 0.139E-01 RMM: 6 -0.338494716384E+03 0.10126E-03 -0.18456E-04 3885 0.345E-02 0.797E-02 RMM: 7 -0.338494736418E+03 -0.20035E-04 -0.67874E-05 3519 0.242E-02 0.101E-01 RMM: 8 -0.338494668633E+03 0.67785E-04 -0.29567E-05 2966 0.172E-02 0.209E-02 RMM: 9 -0.338494672711E+03 -0.40778E-05 -0.90850E-06 2471 0.826E-03 4419 T= 6310. E= 0.67593961E+03 F= 0.62373509E+03 E0= 0.65232476E+03 EK= 0.52205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338975920347E+03 -0.48125E+00 -0.17470E-01 8484 0.238E+01 0.437E-01 RMM: 2 -0.338984214204E+03 -0.82939E-02 -0.82360E-02 5359 0.675E-01 0.844E-01 RMM: 3 -0.338979909015E+03 0.43052E-02 -0.78015E-03 5546 0.192E-01 0.345E-01 RMM: 4 -0.338981368915E+03 -0.14599E-02 -0.25322E-03 5182 0.127E-01 0.601E-01 RMM: 5 -0.338978989775E+03 0.23791E-02 -0.12932E-03 4607 0.972E-02 0.141E-01 RMM: 6 -0.338978931952E+03 0.57823E-04 -0.24680E-04 3917 0.403E-02 0.117E-01 RMM: 7 -0.338978946552E+03 -0.14600E-04 -0.90658E-05 3692 0.275E-02 4420 T= 6459. E= 0.67711686E+03 F= 0.62368243E+03 E0= 0.65230774E+03 EK= 0.53434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339352045679E+03 -0.37311E+00 -0.18037E-01 8484 0.241E+01 0.455E-01 RMM: 2 -0.339362633394E+03 -0.10588E-01 -0.91286E-02 5300 0.715E-01 0.972E-01 RMM: 3 -0.339356668617E+03 0.59648E-02 -0.94575E-03 5466 0.219E-01 0.367E-01 RMM: 4 -0.339358290377E+03 -0.16218E-02 -0.28170E-03 5288 0.133E-01 0.623E-01 RMM: 5 -0.339355689686E+03 0.26007E-02 -0.13107E-03 4603 0.973E-02 0.134E-01 RMM: 6 -0.339355700291E+03 -0.10605E-04 -0.25230E-04 3882 0.400E-02 0.146E-01 RMM: 7 -0.339355657884E+03 0.42407E-04 -0.11296E-04 3875 0.306E-02 0.124E-01 RMM: 8 -0.339355562099E+03 0.95785E-04 -0.57281E-05 3384 0.217E-02 0.378E-02 RMM: 9 -0.339355589824E+03 -0.27725E-04 -0.25557E-05 2724 0.145E-02 0.681E-02 RMM: 10 -0.339355570614E+03 0.19211E-04 -0.16080E-05 2525 0.132E-02 4421 T= 6595. E= 0.67829039E+03 F= 0.62373411E+03 E0= 0.65240013E+03 EK= 0.54556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339589606287E+03 -0.23402E+00 -0.18522E-01 8292 0.243E+01 0.381E-01 RMM: 2 -0.339598608774E+03 -0.90025E-02 -0.95817E-02 5227 0.718E-01 0.723E-01 RMM: 3 -0.339595291163E+03 0.33176E-02 -0.90209E-03 5551 0.203E-01 0.321E-01 RMM: 4 -0.339596337870E+03 -0.10467E-02 -0.18322E-03 4911 0.106E-01 0.533E-01 RMM: 5 -0.339594501260E+03 0.18366E-02 -0.87330E-04 4592 0.787E-02 0.129E-01 RMM: 6 -0.339594428184E+03 0.73076E-04 -0.20605E-04 3887 0.363E-02 0.884E-02 RMM: 7 -0.339594423886E+03 0.42978E-05 -0.62418E-05 3437 0.236E-02 4422 T= 6665. E= 0.67905521E+03 F= 0.62392109E+03 E0= 0.65262874E+03 EK= 0.55134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339692056881E+03 -0.97629E-01 -0.18975E-01 8124 0.243E+01 0.441E-01 RMM: 2 -0.339701192050E+03 -0.91352E-02 -0.97595E-02 5186 0.730E-01 0.765E-01 RMM: 3 -0.339697584506E+03 0.36075E-02 -0.97715E-03 5547 0.215E-01 0.381E-01 RMM: 4 -0.339698940945E+03 -0.13564E-02 -0.24504E-03 5275 0.124E-01 0.612E-01 RMM: 5 -0.339696416625E+03 0.25243E-02 -0.12723E-03 4606 0.954E-02 0.119E-01 RMM: 6 -0.339696503921E+03 -0.87296E-04 -0.28830E-04 3919 0.427E-02 0.171E-01 RMM: 7 -0.339696387993E+03 0.11593E-03 -0.11817E-04 3875 0.322E-02 0.115E-01 RMM: 8 -0.339696305615E+03 0.82378E-04 -0.50894E-05 3308 0.203E-02 0.379E-02 RMM: 9 -0.339696331198E+03 -0.25584E-04 -0.28450E-05 2844 0.152E-02 0.679E-02 RMM: 10 -0.339696309300E+03 0.21898E-04 -0.19357E-05 2556 0.144E-02 0.191E-02 RMM: 11 -0.339696308555E+03 0.74562E-06 -0.33484E-06 2429 0.531E-03 4423 T= 6642. E= 0.67918855E+03 F= 0.62424452E+03 E0= 0.65299197E+03 EK= 0.54944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339690023531E+03 0.62858E-02 -0.19391E-01 8112 0.242E+01 0.356E-01 RMM: 2 -0.339698739319E+03 -0.87158E-02 -0.99313E-02 5042 0.719E-01 0.580E-01 RMM: 3 -0.339696356639E+03 0.23827E-02 -0.91085E-03 5653 0.204E-01 0.325E-01 RMM: 4 -0.339696857535E+03 -0.50090E-03 -0.17928E-03 5110 0.110E-01 0.458E-01 RMM: 5 -0.339695479295E+03 0.13782E-02 -0.87888E-04 4589 0.793E-02 0.110E-01 RMM: 6 -0.339695536516E+03 -0.57221E-04 -0.23342E-04 3887 0.391E-02 0.148E-01 RMM: 7 -0.339695443523E+03 0.92993E-04 -0.85532E-05 3633 0.286E-02 0.895E-02 RMM: 8 -0.339695392234E+03 0.51289E-04 -0.23252E-05 2678 0.146E-02 0.260E-02 RMM: 9 -0.339695401407E+03 -0.91732E-05 -0.15241E-05 2479 0.112E-02 4424 T= 6538. E= 0.67875758E+03 F= 0.62467247E+03 E0= 0.65345483E+03 EK= 0.54085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339641467098E+03 0.53925E-01 -0.19368E-01 8076 0.239E+01 0.386E-01 RMM: 2 -0.339651876069E+03 -0.10409E-01 -0.10872E-01 5005 0.760E-01 0.686E-01 RMM: 3 -0.339648722882E+03 0.31532E-02 -0.11532E-02 5620 0.221E-01 0.337E-01 RMM: 4 -0.339649538346E+03 -0.81546E-03 -0.21986E-03 5264 0.120E-01 0.516E-01 RMM: 5 -0.339647774709E+03 0.17636E-02 -0.10620E-03 4609 0.874E-02 0.128E-01 RMM: 6 -0.339647829537E+03 -0.54829E-04 -0.28648E-04 3910 0.439E-02 0.160E-01 RMM: 7 -0.339647753721E+03 0.75817E-04 -0.11520E-04 3852 0.324E-02 0.123E-01 RMM: 8 -0.339647654556E+03 0.99165E-04 -0.53147E-05 3335 0.212E-02 0.333E-02 RMM: 9 -0.339647672463E+03 -0.17907E-04 -0.22258E-05 2614 0.135E-02 4425 T= 6398. E= 0.67807800E+03 F= 0.62515052E+03 E0= 0.65396133E+03 EK= 0.52927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339609255216E+03 0.38399E-01 -0.20201E-01 7848 0.237E+01 0.366E-01 RMM: 2 -0.339621970672E+03 -0.12715E-01 -0.13475E-01 4838 0.862E-01 0.621E-01 RMM: 3 -0.339619304827E+03 0.26658E-02 -0.14631E-02 5810 0.236E-01 0.309E-01 RMM: 4 -0.339619704348E+03 -0.39952E-03 -0.21176E-03 5269 0.121E-01 0.462E-01 RMM: 5 -0.339618356116E+03 0.13482E-02 -0.95249E-04 4604 0.824E-02 0.122E-01 RMM: 6 -0.339618490609E+03 -0.13449E-03 -0.30663E-04 3927 0.453E-02 0.189E-01 RMM: 7 -0.339618313578E+03 0.17703E-03 -0.12634E-04 3845 0.345E-02 0.975E-02 RMM: 8 -0.339618254900E+03 0.58678E-04 -0.34193E-05 3029 0.173E-02 0.332E-02 RMM: 9 -0.339618271587E+03 -0.16687E-04 -0.21547E-05 2547 0.133E-02 4426 T= 6278. E= 0.67755107E+03 F= 0.62561365E+03 E0= 0.65444748E+03 EK= 0.51937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339658526556E+03 -0.40272E-01 -0.19509E-01 7752 0.236E+01 0.373E-01 RMM: 2 -0.339671251326E+03 -0.12725E-01 -0.11906E-01 4884 0.810E-01 0.787E-01 RMM: 3 -0.339666811144E+03 0.44402E-02 -0.13016E-02 5646 0.233E-01 0.288E-01 RMM: 4 -0.339667594366E+03 -0.78322E-03 -0.23245E-03 5280 0.125E-01 0.491E-01 RMM: 5 -0.339666086432E+03 0.15079E-02 -0.10129E-03 4608 0.856E-02 0.159E-01 RMM: 6 -0.339666058097E+03 0.28335E-04 -0.29991E-04 3937 0.448E-02 0.150E-01 RMM: 7 -0.339665982416E+03 0.75680E-04 -0.13299E-04 3874 0.352E-02 0.111E-01 RMM: 8 -0.339665904825E+03 0.77592E-04 -0.45020E-05 3226 0.200E-02 0.330E-02 RMM: 9 -0.339665919426E+03 -0.14602E-04 -0.17451E-05 2537 0.118E-02 4427 T= 6225. E= 0.67749766E+03 F= 0.62600180E+03 E0= 0.65485509E+03 EK= 0.51496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339827055402E+03 -0.16115E+00 -0.19272E-01 7908 0.236E+01 0.376E-01 RMM: 2 -0.339836307502E+03 -0.92521E-02 -0.97375E-02 4943 0.732E-01 0.667E-01 RMM: 3 -0.339833346636E+03 0.29609E-02 -0.10228E-02 5581 0.214E-01 0.320E-01 RMM: 4 -0.339834014116E+03 -0.66748E-03 -0.20299E-03 5186 0.116E-01 0.491E-01 RMM: 5 -0.339832499434E+03 0.15147E-02 -0.10032E-03 4604 0.852E-02 0.137E-01 RMM: 6 -0.339832531271E+03 -0.31836E-04 -0.28936E-04 3910 0.439E-02 0.156E-01 RMM: 7 -0.339832449834E+03 0.81437E-04 -0.11754E-04 3813 0.327E-02 0.113E-01 RMM: 8 -0.339832369011E+03 0.80822E-04 -0.40574E-05 3151 0.190E-02 0.322E-02 RMM: 9 -0.339832383210E+03 -0.14199E-04 -0.17832E-05 2535 0.120E-02 4428 T= 6260. E= 0.67805685E+03 F= 0.62627083E+03 E0= 0.65514361E+03 EK= 0.51786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340132962948E+03 -0.30059E+00 -0.18950E-01 7992 0.238E+01 0.384E-01 RMM: 2 -0.340143258047E+03 -0.10295E-01 -0.89878E-02 4971 0.705E-01 0.844E-01 RMM: 3 -0.340138328117E+03 0.49299E-02 -0.96907E-03 5469 0.214E-01 0.278E-01 RMM: 4 -0.340139204085E+03 -0.87597E-03 -0.21259E-03 5194 0.119E-01 0.485E-01 RMM: 5 -0.340137736944E+03 0.14671E-02 -0.84878E-04 4605 0.783E-02 0.155E-01 RMM: 6 -0.340137675169E+03 0.61775E-04 -0.26109E-04 3901 0.414E-02 0.129E-01 RMM: 7 -0.340137614519E+03 0.60649E-04 -0.10216E-04 3767 0.310E-02 0.920E-02 RMM: 8 -0.340137563726E+03 0.50793E-04 -0.33959E-05 3055 0.176E-02 0.319E-02 RMM: 9 -0.340137577211E+03 -0.13485E-04 -0.16050E-05 2520 0.114E-02 4429 T= 6376. E= 0.67914296E+03 F= 0.62639837E+03 E0= 0.65529322E+03 EK= 0.52745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340571933134E+03 -0.43437E+00 -0.19247E-01 7860 0.241E+01 0.397E-01 RMM: 2 -0.340581412404E+03 -0.94793E-02 -0.87402E-02 4896 0.716E-01 0.824E-01 RMM: 3 -0.340577129159E+03 0.42832E-02 -0.10227E-02 5465 0.221E-01 0.322E-01 RMM: 4 -0.340578262148E+03 -0.11330E-02 -0.22954E-03 5214 0.120E-01 0.543E-01 RMM: 5 -0.340576382106E+03 0.18800E-02 -0.11042E-03 4613 0.902E-02 0.157E-01 RMM: 6 -0.340576292845E+03 0.89261E-04 -0.24986E-04 3900 0.405E-02 0.114E-01 RMM: 7 -0.340576311855E+03 -0.19010E-04 -0.10449E-04 3746 0.292E-02 4430 T= 6535. E= 0.68045322E+03 F= 0.62638807E+03 E0= 0.65531057E+03 EK= 0.54065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341118552454E+03 -0.54226E+00 -0.19703E-01 7932 0.244E+01 0.434E-01 RMM: 2 -0.341127893617E+03 -0.93412E-02 -0.90596E-02 5006 0.726E-01 0.816E-01 RMM: 3 -0.341123781718E+03 0.41119E-02 -0.10140E-02 5414 0.220E-01 0.366E-01 RMM: 4 -0.341125051312E+03 -0.12696E-02 -0.25888E-03 5237 0.127E-01 0.593E-01 RMM: 5 -0.341122807496E+03 0.22438E-02 -0.12772E-03 4614 0.968E-02 0.157E-01 RMM: 6 -0.341122758219E+03 0.49277E-04 -0.26642E-04 3908 0.417E-02 0.140E-01 RMM: 7 -0.341122717168E+03 0.41051E-04 -0.11815E-04 3871 0.318E-02 0.116E-01 RMM: 8 -0.341122631440E+03 0.85728E-04 -0.55179E-05 3353 0.219E-02 0.390E-02 RMM: 9 -0.341122648293E+03 -0.16853E-04 -0.23701E-05 2650 0.138E-02 4431 T= 6681. E= 0.68153304E+03 F= 0.62626592E+03 E0= 0.65522343E+03 EK= 0.55267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341734162771E+03 -0.61153E+00 -0.19478E-01 7824 0.246E+01 0.366E-01 RMM: 2 -0.341741830626E+03 -0.76679E-02 -0.81615E-02 5009 0.676E-01 0.678E-01 RMM: 3 -0.341739076016E+03 0.27546E-02 -0.85094E-03 5452 0.199E-01 0.338E-01 RMM: 4 -0.341739776816E+03 -0.70080E-03 -0.19273E-03 5039 0.111E-01 0.481E-01 RMM: 5 -0.341738278282E+03 0.14985E-02 -0.90161E-04 4608 0.806E-02 0.135E-01 RMM: 6 -0.341738192994E+03 0.85288E-04 -0.17343E-04 3885 0.338E-02 0.819E-02 RMM: 7 -0.341738214468E+03 -0.21474E-04 -0.62244E-05 3435 0.227E-02 0.103E-01 RMM: 8 -0.341738145642E+03 0.68826E-04 -0.31682E-05 2974 0.180E-02 0.247E-02 RMM: 9 -0.341738149344E+03 -0.37025E-05 -0.10215E-05 2468 0.897E-03 4432 T= 6753. E= 0.68193362E+03 F= 0.62607215E+03 E0= 0.65507206E+03 EK= 0.55861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342378945899E+03 -0.64080E+00 -0.19150E-01 8148 0.246E+01 0.454E-01 RMM: 2 -0.342392116062E+03 -0.13170E-01 -0.84937E-02 5133 0.719E-01 0.121E+00 RMM: 3 -0.342382730732E+03 0.93853E-02 -0.10528E-02 5354 0.240E-01 0.323E-01 RMM: 4 -0.342384107104E+03 -0.13764E-02 -0.29303E-03 5308 0.133E-01 0.570E-01 RMM: 5 -0.342382243881E+03 0.18632E-02 -0.11385E-03 4614 0.908E-02 0.247E-01 RMM: 6 -0.342381856420E+03 0.38746E-03 -0.34056E-04 3976 0.485E-02 0.929E-02 RMM: 7 -0.342381944628E+03 -0.88208E-04 -0.14723E-04 3876 0.331E-02 0.149E-01 RMM: 8 -0.342381803779E+03 0.14085E-03 -0.71489E-05 3499 0.250E-02 0.463E-02 RMM: 9 -0.342381798734E+03 0.50446E-05 -0.21335E-05 2646 0.135E-02 4433 T= 6718. E= 0.68142379E+03 F= 0.62585077E+03 E0= 0.65489884E+03 EK= 0.55573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343015573181E+03 -0.63377E+00 -0.19043E-01 8280 0.244E+01 0.409E-01 RMM: 2 -0.343027024551E+03 -0.11451E-01 -0.88283E-02 4984 0.705E-01 0.995E-01 RMM: 3 -0.343020510183E+03 0.65144E-02 -0.99088E-03 5452 0.216E-01 0.306E-01 RMM: 4 -0.343021877181E+03 -0.13670E-02 -0.26936E-03 5215 0.130E-01 0.565E-01 RMM: 5 -0.343019845536E+03 0.20316E-02 -0.12340E-03 4611 0.951E-02 0.148E-01 RMM: 6 -0.343019767759E+03 0.77777E-04 -0.21508E-04 3892 0.372E-02 0.108E-01 RMM: 7 -0.343019765559E+03 0.22001E-05 -0.95399E-05 3725 0.280E-02 4434 T= 6586. E= 0.68012259E+03 F= 0.62563880E+03 E0= 0.65473912E+03 EK= 0.54484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343625195106E+03 -0.60543E+00 -0.18432E-01 8268 0.241E+01 0.444E-01 RMM: 2 -0.343635789248E+03 -0.10594E-01 -0.80534E-02 5137 0.679E-01 0.102E+00 RMM: 3 -0.343629073703E+03 0.67155E-02 -0.87984E-03 5381 0.210E-01 0.341E-01 RMM: 4 -0.343630663683E+03 -0.15900E-02 -0.31245E-03 5167 0.141E-01 0.612E-01 RMM: 5 -0.343628287577E+03 0.23761E-02 -0.14019E-03 4620 0.101E-01 0.170E-01 RMM: 6 -0.343628196459E+03 0.91118E-04 -0.30155E-04 3923 0.441E-02 0.137E-01 RMM: 7 -0.343628164918E+03 0.31541E-04 -0.13048E-04 3867 0.341E-02 0.119E-01 RMM: 8 -0.343628079805E+03 0.85113E-04 -0.54894E-05 3340 0.219E-02 0.400E-02 RMM: 9 -0.343628102679E+03 -0.22874E-04 -0.25750E-05 2728 0.146E-02 0.662E-02 RMM: 10 -0.343628091189E+03 0.11490E-04 -0.16754E-05 2527 0.132E-02 4435 T= 6405. E= 0.67844924E+03 F= 0.62546248E+03 E0= 0.65461688E+03 EK= 0.52987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344180590111E+03 -0.55249E+00 -0.18300E-01 7992 0.238E+01 0.375E-01 RMM: 2 -0.344190526877E+03 -0.99368E-02 -0.10328E-01 4820 0.769E-01 0.727E-01 RMM: 3 -0.344187310512E+03 0.32164E-02 -0.12168E-02 5563 0.226E-01 0.307E-01 RMM: 4 -0.344188335970E+03 -0.10255E-02 -0.22256E-03 5161 0.119E-01 0.520E-01 RMM: 5 -0.344186663867E+03 0.16721E-02 -0.97272E-04 4615 0.830E-02 0.186E-01 RMM: 6 -0.344186457075E+03 0.20679E-03 -0.26812E-04 3925 0.422E-02 0.739E-02 RMM: 7 -0.344186481234E+03 -0.24159E-04 -0.76691E-05 3603 0.265E-02 0.992E-02 RMM: 8 -0.344186418847E+03 0.62387E-04 -0.26157E-05 2869 0.164E-02 0.271E-02 RMM: 9 -0.344186420538E+03 -0.16907E-05 -0.97754E-06 2465 0.883E-03 4436 T= 6236. E= 0.67693371E+03 F= 0.62534273E+03 E0= 0.65455084E+03 EK= 0.51591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344666102325E+03 -0.47968E+00 -0.17084E-01 8376 0.235E+01 0.416E-01 RMM: 2 -0.344671778143E+03 -0.56758E-02 -0.74481E-02 5073 0.645E-01 0.610E-01 RMM: 3 -0.344670242219E+03 0.15359E-02 -0.81660E-03 5432 0.195E-01 0.417E-01 RMM: 4 -0.344671103348E+03 -0.86113E-03 -0.21292E-03 5055 0.117E-01 0.571E-01 RMM: 5 -0.344668984959E+03 0.21184E-02 -0.11048E-03 4612 0.880E-02 0.136E-01 RMM: 6 -0.344668949483E+03 0.35476E-04 -0.27000E-04 3915 0.417E-02 0.126E-01 RMM: 7 -0.344668918800E+03 0.30683E-04 -0.10667E-04 3818 0.313E-02 0.109E-01 RMM: 8 -0.344668844838E+03 0.73962E-04 -0.42248E-05 3173 0.195E-02 0.355E-02 RMM: 9 -0.344668863669E+03 -0.18830E-04 -0.22337E-05 2622 0.135E-02 4437 T= 6131. E= 0.67602369E+03 F= 0.62530397E+03 E0= 0.65456328E+03 EK= 0.50720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345035799470E+03 -0.36695E+00 -0.16738E-01 8436 0.234E+01 0.402E-01 RMM: 2 -0.345042831858E+03 -0.70324E-02 -0.74060E-02 5059 0.644E-01 0.746E-01 RMM: 3 -0.345039664987E+03 0.31669E-02 -0.82484E-03 5473 0.194E-01 0.341E-01 RMM: 4 -0.345040768237E+03 -0.11033E-02 -0.23531E-03 5115 0.124E-01 0.546E-01 RMM: 5 -0.345038858873E+03 0.19094E-02 -0.11353E-03 4613 0.901E-02 0.161E-01 RMM: 6 -0.345038736979E+03 0.12189E-03 -0.23641E-04 3913 0.393E-02 0.971E-02 RMM: 7 -0.345038762960E+03 -0.25981E-04 -0.94030E-05 3785 0.282E-02 0.117E-01 RMM: 8 -0.345038676719E+03 0.86240E-04 -0.42153E-05 3166 0.200E-02 0.331E-02 RMM: 9 -0.345038687874E+03 -0.11154E-04 -0.16465E-05 2528 0.115E-02 4438 T= 6116. E= 0.67597487E+03 F= 0.62537979E+03 E0= 0.65468748E+03 EK= 0.50595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345241064020E+03 -0.20239E+00 -0.16629E-01 8604 0.235E+01 0.413E-01 RMM: 2 -0.345249460388E+03 -0.83964E-02 -0.76457E-02 5023 0.646E-01 0.862E-01 RMM: 3 -0.345244851106E+03 0.46093E-02 -0.85298E-03 5434 0.200E-01 0.319E-01 RMM: 4 -0.345246218852E+03 -0.13677E-02 -0.24435E-03 5139 0.124E-01 0.570E-01 RMM: 5 -0.345244192749E+03 0.20261E-02 -0.10407E-03 4611 0.860E-02 0.176E-01 RMM: 6 -0.345244020157E+03 0.17259E-03 -0.25475E-04 3911 0.405E-02 0.909E-02 RMM: 7 -0.345244057598E+03 -0.37441E-04 -0.10212E-04 3826 0.292E-02 0.121E-01 RMM: 8 -0.345243964272E+03 0.93325E-04 -0.48894E-05 3274 0.210E-02 0.315E-02 RMM: 9 -0.345243977920E+03 -0.13647E-04 -0.18399E-05 2551 0.122E-02 4439 T= 6190. E= 0.67682377E+03 F= 0.62561824E+03 E0= 0.65497006E+03 EK= 0.51206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345220401085E+03 0.23563E-01 -0.17987E-01 8184 0.237E+01 0.412E-01 RMM: 2 -0.345232049669E+03 -0.11649E-01 -0.97142E-02 4919 0.720E-01 0.946E-01 RMM: 3 -0.345226163411E+03 0.58863E-02 -0.11234E-02 5521 0.218E-01 0.312E-01 RMM: 4 -0.345227500783E+03 -0.13374E-02 -0.26784E-03 5236 0.129E-01 0.566E-01 RMM: 5 -0.345225516335E+03 0.19844E-02 -0.11526E-03 4607 0.915E-02 0.183E-01 RMM: 6 -0.345225317010E+03 0.19932E-03 -0.22976E-04 3912 0.384E-02 0.774E-02 RMM: 7 -0.345225349273E+03 -0.32263E-04 -0.94398E-05 3793 0.277E-02 0.108E-01 RMM: 8 -0.345225276866E+03 0.72408E-04 -0.43478E-05 3191 0.202E-02 0.317E-02 RMM: 9 -0.345225289233E+03 -0.12368E-04 -0.15549E-05 2520 0.112E-02 4440 T= 6324. E= 0.67839420E+03 F= 0.62607536E+03 E0= 0.65546681E+03 EK= 0.52319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344920558614E+03 0.30472E+00 -0.18576E-01 8088 0.240E+01 0.404E-01 RMM: 2 -0.344930408031E+03 -0.98494E-02 -0.90569E-02 4934 0.697E-01 0.848E-01 RMM: 3 -0.344925801580E+03 0.46065E-02 -0.10184E-02 5502 0.215E-01 0.339E-01 RMM: 4 -0.344927100404E+03 -0.12988E-02 -0.25347E-03 5202 0.124E-01 0.576E-01 RMM: 5 -0.344925027145E+03 0.20733E-02 -0.11691E-03 4613 0.916E-02 0.168E-01 RMM: 6 -0.344924875200E+03 0.15195E-03 -0.23742E-04 3907 0.395E-02 0.866E-02 RMM: 7 -0.344924911247E+03 -0.36047E-04 -0.87248E-05 3686 0.268E-02 0.116E-01 RMM: 8 -0.344924825860E+03 0.85387E-04 -0.44184E-05 3209 0.201E-02 0.320E-02 RMM: 9 -0.344924836952E+03 -0.11092E-04 -0.16951E-05 2529 0.117E-02 4441 T= 6471. E= 0.68034023E+03 F= 0.62680684E+03 E0= 0.65623265E+03 EK= 0.53533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344297794477E+03 0.62703E+00 -0.18785E-01 8376 0.242E+01 0.397E-01 RMM: 2 -0.344308585739E+03 -0.10791E-01 -0.90527E-02 4921 0.691E-01 0.908E-01 RMM: 3 -0.344303049835E+03 0.55359E-02 -0.10062E-02 5499 0.213E-01 0.311E-01 RMM: 4 -0.344304233794E+03 -0.11840E-02 -0.25282E-03 5236 0.124E-01 0.544E-01 RMM: 5 -0.344302415837E+03 0.18180E-02 -0.11278E-03 4608 0.914E-02 0.178E-01 RMM: 6 -0.344302232412E+03 0.18343E-03 -0.21279E-04 3884 0.374E-02 0.797E-02 RMM: 7 -0.344302250841E+03 -0.18429E-04 -0.82812E-05 3693 0.264E-02 4442 T= 6575. E= 0.68224593E+03 F= 0.62785274E+03 E0= 0.65730796E+03 EK= 0.54393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343350945066E+03 0.95129E+00 -0.18208E-01 8304 0.244E+01 0.403E-01 RMM: 2 -0.343359425729E+03 -0.84807E-02 -0.84543E-02 5038 0.656E-01 0.748E-01 RMM: 3 -0.343355766154E+03 0.36596E-02 -0.86656E-03 5471 0.199E-01 0.343E-01 RMM: 4 -0.343356849971E+03 -0.10838E-02 -0.24610E-03 5136 0.124E-01 0.556E-01 RMM: 5 -0.343354892295E+03 0.19577E-02 -0.12320E-03 4613 0.950E-02 0.145E-01 RMM: 6 -0.343354859141E+03 0.33154E-04 -0.22446E-04 3899 0.379E-02 0.134E-01 RMM: 7 -0.343354788371E+03 0.70770E-04 -0.10291E-04 3867 0.307E-02 0.930E-02 RMM: 8 -0.343354741558E+03 0.46813E-04 -0.39916E-05 3145 0.189E-02 0.400E-02 RMM: 9 -0.343354766120E+03 -0.24563E-04 -0.21348E-05 2569 0.130E-02 0.673E-02 RMM: 10 -0.343354746188E+03 0.19932E-04 -0.17761E-05 2517 0.137E-02 4443 T= 6596. E= 0.68378689E+03 F= 0.62921693E+03 E0= 0.65869614E+03 EK= 0.54570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342122604543E+03 0.12322E+01 -0.18055E-01 8040 0.243E+01 0.332E-01 RMM: 2 -0.342132863992E+03 -0.10259E-01 -0.95109E-02 4920 0.697E-01 0.754E-01 RMM: 3 -0.342128818062E+03 0.40459E-02 -0.99641E-03 5622 0.204E-01 0.263E-01 RMM: 4 -0.342129613931E+03 -0.79587E-03 -0.18366E-03 5078 0.108E-01 0.464E-01 RMM: 5 -0.342128251971E+03 0.13620E-02 -0.84684E-04 4603 0.794E-02 0.140E-01 RMM: 6 -0.342128189695E+03 0.62275E-04 -0.22229E-04 3898 0.383E-02 0.109E-01 RMM: 7 -0.342128187696E+03 0.19989E-05 -0.84742E-05 3651 0.276E-02 4444 T= 6530. E= 0.68487610E+03 F= 0.63085531E+03 E0= 0.66035529E+03 EK= 0.54021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340709780448E+03 0.14184E+01 -0.17332E-01 8028 0.242E+01 0.392E-01 RMM: 2 -0.340717215447E+03 -0.74350E-02 -0.82133E-02 5233 0.647E-01 0.660E-01 RMM: 3 -0.340714399474E+03 0.28160E-02 -0.77547E-03 5555 0.188E-01 0.338E-01 RMM: 4 -0.340715420339E+03 -0.10209E-02 -0.19743E-03 4958 0.112E-01 0.549E-01 RMM: 5 -0.340713475729E+03 0.19446E-02 -0.11984E-03 4615 0.940E-02 0.138E-01 RMM: 6 -0.340713564502E+03 -0.88772E-04 -0.33578E-04 3961 0.472E-02 0.185E-01 RMM: 7 -0.340713424456E+03 0.14005E-03 -0.14456E-04 3872 0.367E-02 0.120E-01 RMM: 8 -0.340713337892E+03 0.86565E-04 -0.58632E-05 3396 0.221E-02 0.408E-02 RMM: 9 -0.340713364163E+03 -0.26272E-04 -0.28514E-05 2825 0.152E-02 0.703E-02 RMM: 10 -0.340713343409E+03 0.20754E-04 -0.21539E-05 2561 0.147E-02 0.248E-02 RMM: 11 -0.340713341152E+03 0.22573E-05 -0.43890E-06 2433 0.624E-03 4445 T= 6409. E= 0.68569642E+03 F= 0.63267860E+03 E0= 0.66219678E+03 EK= 0.53018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339224416885E+03 0.14889E+01 -0.17996E-01 7776 0.239E+01 0.305E-01 RMM: 2 -0.339236119073E+03 -0.11702E-01 -0.11178E-01 4865 0.774E-01 0.709E-01 RMM: 3 -0.339232640349E+03 0.34787E-02 -0.12167E-02 5896 0.210E-01 0.236E-01 RMM: 4 -0.339233042458E+03 -0.40211E-03 -0.15697E-03 5045 0.102E-01 0.401E-01 RMM: 5 -0.339232044419E+03 0.99804E-03 -0.81871E-04 4608 0.789E-02 0.146E-01 RMM: 6 -0.339232038446E+03 0.59734E-05 -0.29453E-04 3907 0.444E-02 0.146E-01 RMM: 7 -0.339231949485E+03 0.88961E-04 -0.11090E-04 3858 0.332E-02 0.908E-02 RMM: 8 -0.339231897521E+03 0.51964E-04 -0.22898E-05 2744 0.147E-02 0.262E-02 RMM: 9 -0.339231903970E+03 -0.64484E-05 -0.11636E-05 2476 0.978E-03 4446 T= 6289. E= 0.68658954E+03 F= 0.63456552E+03 E0= 0.66410208E+03 EK= 0.52024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337806978540E+03 0.14249E+01 -0.16481E-01 7572 0.237E+01 0.354E-01 RMM: 2 -0.337815677210E+03 -0.86987E-02 -0.79167E-02 5268 0.652E-01 0.776E-01 RMM: 3 -0.337811675392E+03 0.40018E-02 -0.75599E-03 5629 0.181E-01 0.274E-01 RMM: 4 -0.337812443569E+03 -0.76818E-03 -0.17928E-03 4833 0.108E-01 0.467E-01 RMM: 5 -0.337811102275E+03 0.13413E-02 -0.95054E-04 4609 0.836E-02 0.170E-01 RMM: 6 -0.337811043057E+03 0.59218E-04 -0.30579E-04 3948 0.453E-02 0.145E-01 RMM: 7 -0.337811033584E+03 0.94727E-05 -0.13410E-04 3870 0.345E-02 4447 T= 6225. E= 0.68788533E+03 F= 0.63638807E+03 E0= 0.66594294E+03 EK= 0.51497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336559325074E+03 0.12517E+01 -0.16985E-01 7548 0.237E+01 0.392E-01 RMM: 2 -0.336571689376E+03 -0.12364E-01 -0.96465E-02 5131 0.729E-01 0.990E-01 RMM: 3 -0.336565325038E+03 0.63643E-02 -0.10394E-02 5540 0.214E-01 0.304E-01 RMM: 4 -0.336566050163E+03 -0.72512E-03 -0.22048E-03 5068 0.117E-01 0.482E-01 RMM: 5 -0.336564608550E+03 0.14416E-02 -0.12107E-03 4610 0.959E-02 0.169E-01 RMM: 6 -0.336564610647E+03 -0.20969E-05 -0.32128E-04 3914 0.458E-02 0.175E-01 RMM: 7 -0.336564520746E+03 0.89901E-04 -0.17713E-04 3884 0.402E-02 0.131E-01 RMM: 8 -0.336564416914E+03 0.10383E-03 -0.67289E-05 3478 0.240E-02 0.449E-02 RMM: 9 -0.336564434799E+03 -0.17885E-04 -0.25361E-05 2687 0.144E-02 4448 T= 6253. E= 0.68976338E+03 F= 0.63803072E+03 E0= 0.66760526E+03 EK= 0.51733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335573501879E+03 0.99092E+00 -0.16446E-01 7728 0.238E+01 0.333E-01 RMM: 2 -0.335585859419E+03 -0.12358E-01 -0.79052E-02 5160 0.681E-01 0.108E+00 RMM: 3 -0.335578320250E+03 0.75392E-02 -0.88830E-03 5455 0.211E-01 0.277E-01 RMM: 4 -0.335578505022E+03 -0.18477E-03 -0.17136E-03 4823 0.100E-01 0.341E-01 RMM: 5 -0.335578000415E+03 0.50461E-03 -0.63801E-04 4592 0.672E-02 0.226E-01 RMM: 6 -0.335577684146E+03 0.31627E-03 -0.24558E-04 3907 0.414E-02 0.637E-02 RMM: 7 -0.335577760976E+03 -0.76830E-04 -0.88341E-05 3631 0.261E-02 0.126E-01 RMM: 8 -0.335577659958E+03 0.10102E-03 -0.39407E-05 3158 0.197E-02 0.335E-02 RMM: 9 -0.335577654679E+03 0.52785E-05 -0.79681E-06 2475 0.805E-03 4449 T= 6379. E= 0.69217410E+03 F= 0.63940603E+03 E0= 0.66900089E+03 EK= 0.52768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334896477156E+03 0.68118E+00 -0.16905E-01 7632 0.241E+01 0.386E-01 RMM: 2 -0.334907144355E+03 -0.10667E-01 -0.78894E-02 5188 0.667E-01 0.100E+00 RMM: 3 -0.334900688418E+03 0.64559E-02 -0.83384E-03 5410 0.201E-01 0.280E-01 RMM: 4 -0.334901971342E+03 -0.12829E-02 -0.22063E-03 5062 0.118E-01 0.536E-01 RMM: 5 -0.334900190427E+03 0.17809E-02 -0.93963E-04 4610 0.824E-02 0.180E-01 RMM: 6 -0.334900031765E+03 0.15866E-03 -0.24322E-04 3883 0.394E-02 0.103E-01 RMM: 7 -0.334900066278E+03 -0.34513E-04 -0.11076E-04 3839 0.300E-02 0.131E-01 RMM: 8 -0.334899958918E+03 0.10736E-03 -0.49161E-05 3299 0.209E-02 0.304E-02 RMM: 9 -0.334899973539E+03 -0.14622E-04 -0.19412E-05 2541 0.125E-02 4450 T= 6569. E= 0.69480592E+03 F= 0.64046371E+03 E0= 0.67007950E+03 EK= 0.54342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334533950582E+03 0.36601E+00 -0.17172E-01 7656 0.244E+01 0.381E-01 RMM: 2 -0.334545720284E+03 -0.11770E-01 -0.78814E-02 5262 0.688E-01 0.110E+00 RMM: 3 -0.334538093334E+03 0.76270E-02 -0.88749E-03 5364 0.217E-01 0.291E-01 RMM: 4 -0.334538596332E+03 -0.50300E-03 -0.20549E-03 4880 0.110E-01 0.417E-01 RMM: 5 -0.334537644416E+03 0.95192E-03 -0.73784E-04 4605 0.720E-02 0.197E-01 RMM: 6 -0.334537407448E+03 0.23697E-03 -0.17450E-04 3883 0.342E-02 0.685E-02 RMM: 7 -0.334537482129E+03 -0.74682E-04 -0.99181E-05 3729 0.269E-02 0.127E-01 RMM: 8 -0.334537383266E+03 0.98864E-04 -0.47418E-05 3245 0.212E-02 0.336E-02 RMM: 9 -0.334537383208E+03 0.57164E-07 -0.11069E-05 2487 0.932E-03 4451 T= 6760. E= 0.69712012E+03 F= 0.64119836E+03 E0= 0.67083442E+03 EK= 0.55922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334455289193E+03 0.82094E-01 -0.17668E-01 7764 0.247E+01 0.389E-01 RMM: 2 -0.334467154335E+03 -0.11865E-01 -0.78618E-02 5286 0.673E-01 0.110E+00 RMM: 3 -0.334459350574E+03 0.78038E-02 -0.79315E-03 5372 0.199E-01 0.263E-01 RMM: 4 -0.334460735744E+03 -0.13852E-02 -0.22151E-03 4951 0.116E-01 0.543E-01 RMM: 5 -0.334458942522E+03 0.17932E-02 -0.90385E-04 4583 0.794E-02 0.176E-01 RMM: 6 -0.334458767569E+03 0.17495E-03 -0.21448E-04 3894 0.369E-02 0.833E-02 RMM: 7 -0.334458835103E+03 -0.67534E-04 -0.10785E-04 3796 0.277E-02 0.132E-01 RMM: 8 -0.334458724785E+03 0.11032E-03 -0.53958E-05 3324 0.223E-02 0.372E-02 RMM: 9 -0.334458724222E+03 0.56286E-06 -0.14070E-05 2510 0.106E-02 4452 T= 6874. E= 0.69850925E+03 F= 0.64164356E+03 E0= 0.67129891E+03 EK= 0.56866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334604088606E+03 -0.14536E+00 -0.18368E-01 7800 0.248E+01 0.393E-01 RMM: 2 -0.334617055973E+03 -0.12967E-01 -0.90418E-02 5235 0.729E-01 0.111E+00 RMM: 3 -0.334609248440E+03 0.78075E-02 -0.98838E-03 5400 0.222E-01 0.305E-01 RMM: 4 -0.334610090977E+03 -0.84254E-03 -0.23719E-03 5051 0.119E-01 0.479E-01 RMM: 5 -0.334608765127E+03 0.13258E-02 -0.81265E-04 4600 0.754E-02 0.202E-01 RMM: 6 -0.334608509728E+03 0.25540E-03 -0.20592E-04 3883 0.367E-02 0.739E-02 RMM: 7 -0.334608587702E+03 -0.77974E-04 -0.10613E-04 3780 0.275E-02 0.133E-01 RMM: 8 -0.334608477876E+03 0.10983E-03 -0.51140E-05 3300 0.216E-02 0.360E-02 RMM: 9 -0.334608478132E+03 -0.25652E-06 -0.14046E-05 2506 0.106E-02 4453 T= 6856. E= 0.69857900E+03 F= 0.64185860E+03 E0= 0.67153164E+03 EK= 0.56720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334919728459E+03 -0.31125E+00 -0.18440E-01 7932 0.246E+01 0.402E-01 RMM: 2 -0.334933969445E+03 -0.14241E-01 -0.84149E-02 5352 0.702E-01 0.124E+00 RMM: 3 -0.334924029961E+03 0.99395E-02 -0.89101E-03 5405 0.216E-01 0.299E-01 RMM: 4 -0.334924932932E+03 -0.90297E-03 -0.24219E-03 5076 0.121E-01 0.489E-01 RMM: 5 -0.334923643077E+03 0.12899E-02 -0.90712E-04 4607 0.803E-02 0.236E-01 RMM: 6 -0.334923294905E+03 0.34817E-03 -0.24350E-04 3891 0.403E-02 0.707E-02 RMM: 7 -0.334923386394E+03 -0.91489E-04 -0.12768E-04 3854 0.298E-02 0.138E-01 RMM: 8 -0.334923265782E+03 0.12061E-03 -0.60131E-05 3381 0.235E-02 0.360E-02 RMM: 9 -0.334923266503E+03 -0.72159E-06 -0.14259E-05 2512 0.107E-02 4454 T= 6706. E= 0.69738830E+03 F= 0.64191104E+03 E0= 0.67160067E+03 EK= 0.55477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335342512758E+03 -0.41925E+00 -0.17917E-01 8088 0.243E+01 0.384E-01 RMM: 2 -0.335353374979E+03 -0.10862E-01 -0.80331E-02 5337 0.677E-01 0.101E+00 RMM: 3 -0.335346897272E+03 0.64777E-02 -0.83626E-03 5391 0.204E-01 0.293E-01 RMM: 4 -0.335347861612E+03 -0.96434E-03 -0.22580E-03 4963 0.118E-01 0.489E-01 RMM: 5 -0.335346368687E+03 0.14929E-02 -0.88306E-04 4599 0.792E-02 0.169E-01 RMM: 6 -0.335346222644E+03 0.14604E-03 -0.20943E-04 3888 0.369E-02 0.962E-02 RMM: 7 -0.335346278110E+03 -0.55467E-04 -0.10996E-04 3821 0.288E-02 0.134E-01 RMM: 8 -0.335346166826E+03 0.11128E-03 -0.54889E-05 3339 0.222E-02 0.376E-02 RMM: 9 -0.335346166996E+03 -0.16953E-06 -0.14089E-05 2507 0.107E-02 4455 T= 6477. E= 0.69544387E+03 F= 0.64186119E+03 E0= 0.67156688E+03 EK= 0.53583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335828299391E+03 -0.48213E+00 -0.17669E-01 8244 0.239E+01 0.392E-01 RMM: 2 -0.335841574511E+03 -0.13275E-01 -0.80574E-02 5279 0.677E-01 0.117E+00 RMM: 3 -0.335832569593E+03 0.90049E-02 -0.88583E-03 5424 0.211E-01 0.294E-01 RMM: 4 -0.335833552876E+03 -0.98328E-03 -0.24012E-03 5103 0.121E-01 0.500E-01 RMM: 5 -0.335832187485E+03 0.13654E-02 -0.97357E-04 4594 0.843E-02 0.232E-01 RMM: 6 -0.335831856334E+03 0.33115E-03 -0.26230E-04 3901 0.419E-02 0.773E-02 RMM: 7 -0.335831942384E+03 -0.86051E-04 -0.13226E-04 3885 0.310E-02 0.138E-01 RMM: 8 -0.335831821478E+03 0.12091E-03 -0.63842E-05 3422 0.240E-02 0.364E-02 RMM: 9 -0.335831822839E+03 -0.13602E-05 -0.15783E-05 2523 0.114E-02 4456 T= 6249. E= 0.69345124E+03 F= 0.64175597E+03 E0= 0.67147814E+03 EK= 0.51695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336340177997E+03 -0.50836E+00 -0.17012E-01 8244 0.236E+01 0.380E-01 RMM: 2 -0.336352238431E+03 -0.12060E-01 -0.81307E-02 5187 0.670E-01 0.106E+00 RMM: 3 -0.336344630413E+03 0.76080E-02 -0.82781E-03 5385 0.203E-01 0.277E-01 RMM: 4 -0.336345720236E+03 -0.10898E-02 -0.24194E-03 5145 0.123E-01 0.496E-01 RMM: 5 -0.336344154112E+03 0.15661E-02 -0.91461E-04 4606 0.809E-02 0.170E-01 RMM: 6 -0.336344020716E+03 0.13340E-03 -0.23236E-04 3892 0.390E-02 0.104E-01 RMM: 7 -0.336344060365E+03 -0.39648E-04 -0.10811E-04 3833 0.294E-02 0.131E-01 RMM: 8 -0.336343953958E+03 0.10641E-03 -0.51355E-05 3315 0.213E-02 0.338E-02 RMM: 9 -0.336343958319E+03 -0.43617E-05 -0.13697E-05 2511 0.105E-02 4457 T= 6092. E= 0.69203150E+03 F= 0.64163096E+03 E0= 0.67137039E+03 EK= 0.50401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336846883519E+03 -0.50293E+00 -0.16709E-01 8280 0.235E+01 0.392E-01 RMM: 2 -0.336859884830E+03 -0.13001E-01 -0.84143E-02 5179 0.682E-01 0.113E+00 RMM: 3 -0.336851480701E+03 0.84041E-02 -0.91189E-03 5435 0.213E-01 0.298E-01 RMM: 4 -0.336852451191E+03 -0.97049E-03 -0.23375E-03 5070 0.118E-01 0.503E-01 RMM: 5 -0.336851050504E+03 0.14007E-02 -0.97116E-04 4598 0.843E-02 0.226E-01 RMM: 6 -0.336850736392E+03 0.31411E-03 -0.25430E-04 3898 0.413E-02 0.741E-02 RMM: 7 -0.336850829346E+03 -0.92955E-04 -0.12072E-04 3867 0.295E-02 0.142E-01 RMM: 8 -0.336850701836E+03 0.12751E-03 -0.59764E-05 3401 0.232E-02 0.314E-02 RMM: 9 -0.336850708029E+03 -0.61932E-05 -0.15925E-05 2524 0.114E-02 4458 T= 6050. E= 0.69156204E+03 F= 0.64151525E+03 E0= 0.67127230E+03 EK= 0.50047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337316122067E+03 -0.46542E+00 -0.17040E-01 8100 0.236E+01 0.377E-01 RMM: 2 -0.337326633235E+03 -0.10511E-01 -0.87984E-02 5154 0.689E-01 0.892E-01 RMM: 3 -0.337321331266E+03 0.53020E-02 -0.87755E-03 5477 0.201E-01 0.301E-01 RMM: 4 -0.337322368764E+03 -0.10375E-02 -0.21967E-03 4972 0.117E-01 0.508E-01 RMM: 5 -0.337320709216E+03 0.16595E-02 -0.89331E-04 4600 0.793E-02 0.160E-01 RMM: 6 -0.337320594025E+03 0.11519E-03 -0.21237E-04 3884 0.371E-02 0.101E-01 RMM: 7 -0.337320620599E+03 -0.26574E-04 -0.99649E-05 3819 0.280E-02 0.121E-01 RMM: 8 -0.337320527490E+03 0.93109E-04 -0.48726E-05 3274 0.207E-02 0.301E-02 RMM: 9 -0.337320536221E+03 -0.87310E-05 -0.15611E-05 2513 0.111E-02 4459 T= 6129. E= 0.69213815E+03 F= 0.64143649E+03 E0= 0.67121045E+03 EK= 0.50702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337719759923E+03 -0.39923E+00 -0.17870E-01 8268 0.238E+01 0.398E-01 RMM: 2 -0.337735758575E+03 -0.15999E-01 -0.94325E-02 5123 0.725E-01 0.125E+00 RMM: 3 -0.337725256589E+03 0.10502E-01 -0.10636E-02 5450 0.229E-01 0.298E-01 RMM: 4 -0.337726259825E+03 -0.10032E-02 -0.25302E-03 5181 0.122E-01 0.504E-01 RMM: 5 -0.337724783890E+03 0.14759E-02 -0.90705E-04 4603 0.805E-02 0.208E-01 RMM: 6 -0.337724520218E+03 0.26367E-03 -0.23390E-04 3886 0.396E-02 0.775E-02 RMM: 7 -0.337724610500E+03 -0.90281E-04 -0.12527E-04 3874 0.297E-02 0.142E-01 RMM: 8 -0.337724483697E+03 0.12680E-03 -0.61028E-05 3406 0.232E-02 0.369E-02 RMM: 9 -0.337724483217E+03 0.47937E-06 -0.14629E-05 2515 0.109E-02 4460 T= 6305. E= 0.69357728E+03 F= 0.64141996E+03 E0= 0.67120755E+03 EK= 0.52157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338036139111E+03 -0.31166E+00 -0.19116E-01 7944 0.242E+01 0.391E-01 RMM: 2 -0.338051880049E+03 -0.15741E-01 -0.10498E-01 5068 0.755E-01 0.115E+00 RMM: 3 -0.338042676843E+03 0.92032E-02 -0.11098E-02 5439 0.232E-01 0.283E-01 RMM: 4 -0.338043761843E+03 -0.10850E-02 -0.24919E-03 5229 0.122E-01 0.503E-01 RMM: 5 -0.338042184969E+03 0.15769E-02 -0.91306E-04 4609 0.801E-02 0.184E-01 RMM: 6 -0.338042008084E+03 0.17688E-03 -0.24876E-04 3899 0.408E-02 0.961E-02 RMM: 7 -0.338042085494E+03 -0.77410E-04 -0.13026E-04 3878 0.311E-02 0.145E-01 RMM: 8 -0.338041953654E+03 0.13184E-03 -0.64978E-05 3449 0.235E-02 0.423E-02 RMM: 9 -0.338041949434E+03 0.42204E-05 -0.15114E-05 2525 0.111E-02 4461 T= 6522. E= 0.69543903E+03 F= 0.64148399E+03 E0= 0.67127977E+03 EK= 0.53955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338263388054E+03 -0.22143E+00 -0.19360E-01 7908 0.245E+01 0.387E-01 RMM: 2 -0.338279430765E+03 -0.16043E-01 -0.97314E-02 5173 0.731E-01 0.121E+00 RMM: 3 -0.338269198119E+03 0.10233E-01 -0.10520E-02 5401 0.232E-01 0.284E-01 RMM: 4 -0.338270238982E+03 -0.10409E-02 -0.22995E-03 5175 0.116E-01 0.502E-01 RMM: 5 -0.338268748504E+03 0.14905E-02 -0.83576E-04 4604 0.776E-02 0.194E-01 RMM: 6 -0.338268532143E+03 0.21636E-03 -0.22285E-04 3884 0.384E-02 0.869E-02 RMM: 7 -0.338268600185E+03 -0.68042E-04 -0.12489E-04 3880 0.304E-02 0.136E-01 RMM: 8 -0.338268482297E+03 0.11789E-03 -0.61009E-05 3401 0.230E-02 0.287E-02 RMM: 9 -0.338268490608E+03 -0.83112E-05 -0.17307E-05 2532 0.118E-02 4462 T= 6706. E= 0.69711229E+03 F= 0.64163286E+03 E0= 0.67142924E+03 EK= 0.55479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338420240045E+03 -0.15176E+00 -0.19588E-01 8004 0.247E+01 0.372E-01 RMM: 2 -0.338436269208E+03 -0.16029E-01 -0.10501E-01 5065 0.764E-01 0.117E+00 RMM: 3 -0.338427001788E+03 0.92674E-02 -0.11293E-02 5457 0.236E-01 0.282E-01 RMM: 4 -0.338427662334E+03 -0.66055E-03 -0.22689E-03 5215 0.116E-01 0.440E-01 RMM: 5 -0.338426494135E+03 0.11682E-02 -0.81378E-04 4604 0.767E-02 0.184E-01 RMM: 6 -0.338426320044E+03 0.17409E-03 -0.21364E-04 3880 0.381E-02 0.950E-02 RMM: 7 -0.338426375933E+03 -0.55889E-04 -0.12161E-04 3878 0.304E-02 0.133E-01 RMM: 8 -0.338426261745E+03 0.11419E-03 -0.57312E-05 3360 0.225E-02 0.350E-02 RMM: 9 -0.338426261643E+03 0.10261E-06 -0.12912E-05 2501 0.998E-03 4463 T= 6790. E= 0.69801862E+03 F= 0.64184621E+03 E0= 0.67163472E+03 EK= 0.56172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338556794806E+03 -0.13053E+00 -0.19459E-01 8016 0.246E+01 0.364E-01 RMM: 2 -0.338571725200E+03 -0.14930E-01 -0.10837E-01 4945 0.789E-01 0.106E+00 RMM: 3 -0.338564171382E+03 0.75538E-02 -0.12465E-02 5410 0.249E-01 0.278E-01 RMM: 4 -0.338564977730E+03 -0.80635E-03 -0.20038E-03 5203 0.109E-01 0.458E-01 RMM: 5 -0.338563679180E+03 0.12985E-02 -0.79845E-04 4604 0.757E-02 0.179E-01 RMM: 6 -0.338563529271E+03 0.14991E-03 -0.25832E-04 3888 0.416E-02 0.108E-01 RMM: 7 -0.338563596301E+03 -0.67030E-04 -0.13578E-04 3886 0.327E-02 0.148E-01 RMM: 8 -0.338563455072E+03 0.14123E-03 -0.66919E-05 3460 0.240E-02 0.348E-02 RMM: 9 -0.338563458400E+03 -0.33283E-05 -0.16791E-05 2524 0.117E-02 4464 T= 6745. E= 0.69787420E+03 F= 0.64207894E+03 E0= 0.67185157E+03 EK= 0.55795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338734366082E+03 -0.17091E+00 -0.18799E-01 7980 0.244E+01 0.351E-01 RMM: 2 -0.338748385202E+03 -0.14019E-01 -0.99155E-02 4985 0.757E-01 0.104E+00 RMM: 3 -0.338741005790E+03 0.73794E-02 -0.10903E-02 5418 0.232E-01 0.261E-01 RMM: 4 -0.338741638716E+03 -0.63293E-03 -0.20720E-03 5182 0.113E-01 0.425E-01 RMM: 5 -0.338740563255E+03 0.10755E-02 -0.86097E-04 4601 0.802E-02 0.179E-01 RMM: 6 -0.338740423054E+03 0.14020E-03 -0.23040E-04 3892 0.395E-02 0.111E-01 RMM: 7 -0.338740441208E+03 -0.18154E-04 -0.12666E-04 3885 0.326E-02 4465 T= 6594. E= 0.69682774E+03 F= 0.64227391E+03 E0= 0.67202448E+03 EK= 0.54554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339005120963E+03 -0.26470E+00 -0.18320E-01 7776 0.240E+01 0.385E-01 RMM: 2 -0.339018098206E+03 -0.12977E-01 -0.99580E-02 4949 0.763E-01 0.983E-01 RMM: 3 -0.339011588862E+03 0.65093E-02 -0.11384E-02 5393 0.237E-01 0.304E-01 RMM: 4 -0.339012579876E+03 -0.99101E-03 -0.23710E-03 5262 0.122E-01 0.507E-01 RMM: 5 -0.339011026875E+03 0.15530E-02 -0.10864E-03 4609 0.896E-02 0.194E-01 RMM: 6 -0.339010880155E+03 0.14672E-03 -0.30375E-04 3934 0.448E-02 0.133E-01 RMM: 7 -0.339010895617E+03 -0.15461E-04 -0.17154E-04 3886 0.385E-02 4466 T= 6404. E= 0.69535675E+03 F= 0.64237970E+03 E0= 0.67210495E+03 EK= 0.52977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339398505832E+03 -0.38763E+00 -0.17163E-01 7908 0.237E+01 0.375E-01 RMM: 2 -0.339411747444E+03 -0.13242E-01 -0.86703E-02 4857 0.734E-01 0.109E+00 RMM: 3 -0.339403969863E+03 0.77776E-02 -0.10936E-02 5380 0.239E-01 0.306E-01 RMM: 4 -0.339404425077E+03 -0.45521E-03 -0.22204E-03 5210 0.115E-01 0.420E-01 RMM: 5 -0.339403502367E+03 0.92271E-03 -0.98899E-04 4608 0.859E-02 0.223E-01 RMM: 6 -0.339403224255E+03 0.27811E-03 -0.29550E-04 3905 0.451E-02 0.945E-02 RMM: 7 -0.339403329436E+03 -0.10518E-03 -0.13904E-04 3864 0.332E-02 0.156E-01 RMM: 8 -0.339403176174E+03 0.15326E-03 -0.66055E-05 3459 0.244E-02 0.412E-02 RMM: 9 -0.339403176586E+03 -0.41253E-06 -0.16576E-05 2532 0.117E-02 4467 T= 6244. E= 0.69401910E+03 F= 0.64236854E+03 E0= 0.67206716E+03 EK= 0.51651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339909498075E+03 -0.50632E+00 -0.16323E-01 7980 0.234E+01 0.333E-01 RMM: 2 -0.339920160995E+03 -0.10663E-01 -0.72879E-02 5015 0.638E-01 0.963E-01 RMM: 3 -0.339913783541E+03 0.63775E-02 -0.83094E-03 5344 0.207E-01 0.238E-01 RMM: 4 -0.339914899556E+03 -0.11160E-02 -0.17489E-03 5078 0.103E-01 0.488E-01 RMM: 5 -0.339913417313E+03 0.14822E-02 -0.75301E-04 4592 0.753E-02 0.134E-01 RMM: 6 -0.339913335052E+03 0.82262E-04 -0.16411E-04 3877 0.330E-02 0.847E-02 RMM: 7 -0.339913348242E+03 -0.13191E-04 -0.68394E-05 3535 0.244E-02 4468 T= 6164. E= 0.69323963E+03 F= 0.64224317E+03 E0= 0.67191680E+03 EK= 0.50996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340504607722E+03 -0.59127E+00 -0.16262E-01 7980 0.234E+01 0.409E-01 RMM: 2 -0.340513451206E+03 -0.88435E-02 -0.75407E-02 5030 0.662E-01 0.887E-01 RMM: 3 -0.340508559257E+03 0.48919E-02 -0.87439E-03 5375 0.210E-01 0.316E-01 RMM: 4 -0.340509911754E+03 -0.13525E-02 -0.24592E-03 5178 0.122E-01 0.571E-01 RMM: 5 -0.340507847402E+03 0.20644E-02 -0.11947E-03 4608 0.934E-02 0.144E-01 RMM: 6 -0.340507791915E+03 0.55487E-04 -0.20621E-04 3888 0.364E-02 0.122E-01 RMM: 7 -0.340507783137E+03 0.87778E-05 -0.10629E-04 3853 0.298E-02 4469 T= 6186. E= 0.69321242E+03 F= 0.64203472E+03 E0= 0.67168487E+03 EK= 0.51178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341128790696E+03 -0.62100E+00 -0.16199E-01 8196 0.236E+01 0.377E-01 RMM: 2 -0.341136677663E+03 -0.78870E-02 -0.72587E-02 5159 0.624E-01 0.775E-01 RMM: 3 -0.341132802474E+03 0.38752E-02 -0.74630E-03 5370 0.193E-01 0.321E-01 RMM: 4 -0.341133775159E+03 -0.97269E-03 -0.19273E-03 5004 0.109E-01 0.507E-01 RMM: 5 -0.341132143332E+03 0.16318E-02 -0.90126E-04 4604 0.808E-02 0.136E-01 RMM: 6 -0.341132067106E+03 0.76226E-04 -0.16784E-04 3880 0.327E-02 0.932E-02 RMM: 7 -0.341132101983E+03 -0.34877E-04 -0.82065E-05 3636 0.254E-02 0.117E-01 RMM: 8 -0.341132019009E+03 0.82974E-04 -0.47044E-05 3231 0.208E-02 0.317E-02 RMM: 9 -0.341132036230E+03 -0.17222E-04 -0.20187E-05 2556 0.127E-02 4470 T= 6296. E= 0.69388189E+03 F= 0.64179486E+03 E0= 0.67142424E+03 EK= 0.52087E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341717467008E+03 -0.58545E+00 -0.16939E-01 8328 0.238E+01 0.355E-01 RMM: 2 -0.341725983123E+03 -0.85161E-02 -0.86417E-02 5138 0.676E-01 0.700E-01 RMM: 3 -0.341722871726E+03 0.31114E-02 -0.87752E-03 5433 0.201E-01 0.320E-01 RMM: 4 -0.341723544519E+03 -0.67279E-03 -0.18044E-03 4970 0.103E-01 0.466E-01 RMM: 5 -0.341722148203E+03 0.13963E-02 -0.81632E-04 4604 0.757E-02 0.122E-01 RMM: 6 -0.341722068303E+03 0.79900E-04 -0.13345E-04 3875 0.294E-02 0.682E-02 RMM: 7 -0.341722088987E+03 -0.20684E-04 -0.46669E-05 3216 0.194E-02 0.949E-02 RMM: 8 -0.341722031644E+03 0.57343E-04 -0.31503E-05 2935 0.177E-02 0.229E-02 RMM: 9 -0.341722040094E+03 -0.84503E-05 -0.11701E-05 2478 0.952E-03 4471 T= 6453. E= 0.69496765E+03 F= 0.64158560E+03 E0= 0.67119640E+03 EK= 0.53382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342216367158E+03 -0.49434E+00 -0.16831E-01 8496 0.241E+01 0.390E-01 RMM: 2 -0.342225441652E+03 -0.90745E-02 -0.79100E-02 5337 0.630E-01 0.855E-01 RMM: 3 -0.342220595551E+03 0.48461E-02 -0.76306E-03 5378 0.194E-01 0.329E-01 RMM: 4 -0.342221619155E+03 -0.10236E-02 -0.20346E-03 4964 0.111E-01 0.521E-01 RMM: 5 -0.342219861985E+03 0.17572E-02 -0.91973E-04 4604 0.812E-02 0.130E-01 RMM: 6 -0.342219791047E+03 0.70938E-04 -0.14413E-04 3873 0.296E-02 0.896E-02 RMM: 7 -0.342219794377E+03 -0.33301E-05 -0.69288E-05 3537 0.229E-02 4472 T= 6597. E= 0.69603906E+03 F= 0.64146427E+03 E0= 0.67105956E+03 EK= 0.54575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342584926412E+03 -0.36514E+00 -0.17241E-01 8520 0.243E+01 0.385E-01 RMM: 2 -0.342594001050E+03 -0.90746E-02 -0.79696E-02 5372 0.622E-01 0.831E-01 RMM: 3 -0.342589277136E+03 0.47239E-02 -0.71871E-03 5401 0.186E-01 0.310E-01 RMM: 4 -0.342590381717E+03 -0.11046E-02 -0.20208E-03 4878 0.110E-01 0.525E-01 RMM: 5 -0.342588595156E+03 0.17866E-02 -0.95202E-04 4604 0.824E-02 0.120E-01 RMM: 6 -0.342588582613E+03 0.12543E-04 -0.17228E-04 3879 0.328E-02 4473 T= 6672. E= 0.69666561E+03 F= 0.64146844E+03 E0= 0.67104881E+03 EK= 0.55197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342817704455E+03 -0.22911E+00 -0.17358E-01 8472 0.243E+01 0.440E-01 RMM: 2 -0.342844971971E+03 -0.27268E-01 -0.83672E-02 5350 0.633E-01 0.182E+00 RMM: 3 -0.342821859681E+03 0.23112E-01 -0.12398E-02 5349 0.268E-01 0.338E-01 RMM: 4 -0.342822378944E+03 -0.51926E-03 -0.26987E-03 5181 0.119E-01 0.457E-01 RMM: 5 -0.342821328717E+03 0.10502E-02 -0.91154E-04 4612 0.813E-02 0.246E-01 RMM: 6 -0.342820970153E+03 0.35856E-03 -0.29888E-04 3895 0.458E-02 0.904E-02 RMM: 7 -0.342821075854E+03 -0.10570E-03 -0.13701E-04 3867 0.313E-02 0.154E-01 RMM: 8 -0.342820927404E+03 0.14845E-03 -0.71617E-05 3527 0.251E-02 0.392E-02 RMM: 9 -0.342820930658E+03 -0.32543E-05 -0.20156E-05 2610 0.128E-02 4474 T= 6649. E= 0.69660888E+03 F= 0.64160749E+03 E0= 0.67117548E+03 EK= 0.55001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342937753771E+03 -0.11683E+00 -0.17161E-01 8400 0.242E+01 0.472E-01 RMM: 2 -0.342973952003E+03 -0.36198E-01 -0.87284E-02 5321 0.687E-01 0.220E+00 RMM: 3 -0.342941730168E+03 0.32222E-01 -0.15880E-02 5332 0.313E-01 0.394E-01 RMM: 4 -0.342941332237E+03 0.39793E-03 -0.28700E-03 5217 0.121E-01 0.346E-01 RMM: 5 -0.342941063973E+03 0.26826E-03 -0.81884E-04 4608 0.757E-02 0.302E-01 RMM: 6 -0.342940476170E+03 0.58780E-03 -0.34758E-04 3920 0.501E-02 0.698E-02 RMM: 7 -0.342940535741E+03 -0.59572E-04 -0.98802E-05 3722 0.264E-02 0.120E-01 RMM: 8 -0.342940444579E+03 0.91162E-04 -0.42859E-05 3182 0.201E-02 0.382E-02 RMM: 9 -0.342940437331E+03 0.72482E-05 -0.12315E-05 2484 0.104E-02 4475 T= 6537. E= 0.69594223E+03 F= 0.64186001E+03 E0= 0.67141546E+03 EK= 0.54082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342989980780E+03 -0.49536E-01 -0.17257E-01 8496 0.239E+01 0.372E-01 RMM: 2 -0.343004275361E+03 -0.14295E-01 -0.78891E-02 5410 0.609E-01 0.120E+00 RMM: 3 -0.342994223320E+03 0.10052E-01 -0.77362E-03 5384 0.200E-01 0.278E-01 RMM: 4 -0.342995011201E+03 -0.78788E-03 -0.20926E-03 4895 0.111E-01 0.461E-01 RMM: 5 -0.342993838445E+03 0.11728E-02 -0.93874E-04 4612 0.836E-02 0.217E-01 RMM: 6 -0.342993572572E+03 0.26587E-03 -0.27619E-04 3914 0.431E-02 0.948E-02 RMM: 7 -0.342993645143E+03 -0.72571E-04 -0.13836E-04 3884 0.331E-02 0.144E-01 RMM: 8 -0.342993515070E+03 0.13007E-03 -0.64525E-05 3456 0.240E-02 0.365E-02 RMM: 9 -0.342993521341E+03 -0.62705E-05 -0.18602E-05 2540 0.124E-02 4476 T= 6386. E= 0.69500690E+03 F= 0.64218105E+03 E0= 0.67172436E+03 EK= 0.52826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343029862572E+03 -0.36348E-01 -0.17236E-01 8256 0.237E+01 0.338E-01 RMM: 2 -0.343042500770E+03 -0.12638E-01 -0.81183E-02 5265 0.626E-01 0.104E+00 RMM: 3 -0.343034716615E+03 0.77842E-02 -0.76618E-03 5425 0.189E-01 0.226E-01 RMM: 4 -0.343035482254E+03 -0.76564E-03 -0.18651E-03 4863 0.107E-01 0.431E-01 RMM: 5 -0.343034389785E+03 0.10925E-02 -0.80321E-04 4607 0.772E-02 0.176E-01 RMM: 6 -0.343034251289E+03 0.13850E-03 -0.23980E-04 3894 0.397E-02 0.106E-01 RMM: 7 -0.343034275047E+03 -0.23758E-04 -0.10850E-04 3851 0.309E-02 0.122E-01 RMM: 8 -0.343034181352E+03 0.93696E-04 -0.43563E-05 3222 0.197E-02 0.286E-02 RMM: 9 -0.343034191908E+03 -0.10556E-04 -0.14644E-05 2505 0.108E-02 4477 T= 6252. E= 0.69423973E+03 F= 0.64251678E+03 E0= 0.67204761E+03 EK= 0.51723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343107072882E+03 -0.72892E-01 -0.17307E-01 8208 0.235E+01 0.336E-01 RMM: 2 -0.343118227046E+03 -0.11154E-01 -0.87929E-02 5114 0.658E-01 0.883E-01 RMM: 3 -0.343112724719E+03 0.55023E-02 -0.86567E-03 5491 0.196E-01 0.262E-01 RMM: 4 -0.343113460172E+03 -0.73545E-03 -0.19428E-03 4998 0.110E-01 0.447E-01 RMM: 5 -0.343112248922E+03 0.12112E-02 -0.87469E-04 4606 0.798E-02 0.163E-01 RMM: 6 -0.343112145896E+03 0.10303E-03 -0.21327E-04 3890 0.372E-02 0.110E-01 RMM: 7 -0.343112132695E+03 0.13201E-04 -0.10427E-04 3840 0.302E-02 4478 T= 6187. E= 0.69399553E+03 F= 0.64281626E+03 E0= 0.67233508E+03 EK= 0.51179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343261348479E+03 -0.14920E+00 -0.17111E-01 8052 0.235E+01 0.369E-01 RMM: 2 -0.343269155966E+03 -0.78075E-02 -0.78108E-02 5149 0.624E-01 0.692E-01 RMM: 3 -0.343266121269E+03 0.30347E-02 -0.75910E-03 5465 0.183E-01 0.320E-01 RMM: 4 -0.343267104532E+03 -0.98326E-03 -0.19122E-03 4919 0.110E-01 0.524E-01 RMM: 5 -0.343265338474E+03 0.17661E-02 -0.10295E-03 4602 0.861E-02 0.130E-01 RMM: 6 -0.343265377850E+03 -0.39376E-04 -0.27996E-04 3901 0.421E-02 0.158E-01 RMM: 7 -0.343265278799E+03 0.99051E-04 -0.12639E-04 3875 0.341E-02 0.101E-01 RMM: 8 -0.343265219494E+03 0.59305E-04 -0.36854E-05 3099 0.178E-02 0.360E-02 RMM: 9 -0.343265240500E+03 -0.21006E-04 -0.22998E-05 2600 0.135E-02 0.609E-02 RMM: 10 -0.343265226771E+03 0.13729E-04 -0.17444E-05 2508 0.132E-02 4479 T= 6213. E= 0.69444121E+03 F= 0.64303937E+03 E0= 0.67254523E+03 EK= 0.51402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343513861766E+03 -0.24862E+00 -0.16922E-01 8268 0.237E+01 0.291E-01 RMM: 2 -0.343521942585E+03 -0.80808E-02 -0.72984E-02 5172 0.603E-01 0.690E-01 RMM: 3 -0.343518579735E+03 0.33628E-02 -0.67312E-03 5448 0.172E-01 0.222E-01 RMM: 4 -0.343519247886E+03 -0.66815E-03 -0.13300E-03 4714 0.910E-02 0.406E-01 RMM: 5 -0.343518222769E+03 0.10251E-02 -0.57393E-04 4556 0.639E-02 0.130E-01 RMM: 6 -0.343518147597E+03 0.75173E-04 -0.17145E-04 3891 0.338E-02 0.790E-02 RMM: 7 -0.343518159124E+03 -0.11528E-04 -0.51196E-05 3297 0.218E-02 4480 T= 6329. E= 0.69551318E+03 F= 0.64315903E+03 E0= 0.67265255E+03 EK= 0.52354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343881662361E+03 -0.36351E+00 -0.16851E-01 8088 0.239E+01 0.384E-01 RMM: 2 -0.343887219380E+03 -0.55570E-02 -0.64956E-02 5302 0.578E-01 0.630E-01 RMM: 3 -0.343885179360E+03 0.20400E-02 -0.62857E-03 5385 0.174E-01 0.372E-01 RMM: 4 -0.343885967358E+03 -0.78800E-03 -0.16406E-03 4764 0.101E-01 0.521E-01 RMM: 5 -0.343884139133E+03 0.18282E-02 -0.89349E-04 4596 0.788E-02 0.102E-01 RMM: 6 -0.343884219368E+03 -0.80235E-04 -0.21913E-04 3891 0.367E-02 0.157E-01 RMM: 7 -0.343884120882E+03 0.98485E-04 -0.95520E-05 3782 0.284E-02 0.101E-01 RMM: 8 -0.343884056577E+03 0.64305E-04 -0.38188E-05 3103 0.180E-02 0.311E-02 RMM: 9 -0.343884077052E+03 -0.20474E-04 -0.21045E-05 2557 0.129E-02 0.594E-02 RMM: 10 -0.343884061039E+03 0.16012E-04 -0.14475E-05 2497 0.124E-02 4481 T= 6498. E= 0.69691685E+03 F= 0.64316048E+03 E0= 0.67264076E+03 EK= 0.53756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344368896454E+03 -0.48482E+00 -0.17042E-01 7812 0.242E+01 0.296E-01 RMM: 2 -0.344375434657E+03 -0.65382E-02 -0.73068E-02 5177 0.605E-01 0.524E-01 RMM: 3 -0.344373756166E+03 0.16785E-02 -0.63542E-03 5495 0.161E-01 0.287E-01 RMM: 4 -0.344374196962E+03 -0.44080E-03 -0.11768E-03 4702 0.864E-02 0.406E-01 RMM: 5 -0.344373145522E+03 0.10514E-02 -0.55757E-04 4496 0.619E-02 0.105E-01 RMM: 6 -0.344373121837E+03 0.23685E-04 -0.15240E-04 3879 0.317E-02 0.906E-02 RMM: 7 -0.344373100924E+03 0.20913E-04 -0.48826E-05 3242 0.212E-02 0.743E-02 RMM: 8 -0.344373067047E+03 0.33877E-04 -0.18317E-05 2563 0.133E-02 0.211E-02 RMM: 9 -0.344373073464E+03 -0.64167E-05 -0.94860E-06 2454 0.838E-03 4482 T= 6666. E= 0.69817834E+03 F= 0.64303343E+03 E0= 0.67250222E+03 EK= 0.55145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344994366177E+03 -0.62130E+00 -0.17081E-01 7884 0.244E+01 0.339E-01 RMM: 2 -0.345000089996E+03 -0.57238E-02 -0.68727E-02 5265 0.592E-01 0.541E-01 RMM: 3 -0.344998569667E+03 0.15203E-02 -0.60289E-03 5451 0.163E-01 0.334E-01 RMM: 4 -0.344999024893E+03 -0.45523E-03 -0.12825E-03 4670 0.885E-02 0.448E-01 RMM: 5 -0.344997725697E+03 0.12992E-02 -0.66776E-04 4576 0.676E-02 0.103E-01 RMM: 6 -0.344997731895E+03 -0.61984E-05 -0.16693E-04 3879 0.325E-02 4483 T= 6772. E= 0.69878613E+03 F= 0.64276679E+03 E0= 0.67222620E+03 EK= 0.56019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345773732332E+03 -0.77601E+00 -0.17691E-01 7728 0.244E+01 0.474E-01 RMM: 2 -0.345811065632E+03 -0.37333E-01 -0.93430E-02 5131 0.727E-01 0.220E+00 RMM: 3 -0.345778680150E+03 0.32385E-01 -0.15673E-02 5351 0.306E-01 0.370E-01 RMM: 4 -0.345778728927E+03 -0.48777E-04 -0.29371E-03 5269 0.122E-01 0.406E-01 RMM: 5 -0.345778138712E+03 0.59021E-03 -0.10275E-03 4608 0.846E-02 0.298E-01 RMM: 6 -0.345777603561E+03 0.53515E-03 -0.38367E-04 3940 0.513E-02 0.105E-01 RMM: 7 -0.345777696040E+03 -0.92479E-04 -0.20739E-04 3893 0.385E-02 0.157E-01 RMM: 8 -0.345777545832E+03 0.15021E-03 -0.10170E-04 3822 0.302E-02 0.511E-02 RMM: 9 -0.345777539963E+03 0.58694E-05 -0.18336E-05 2575 0.125E-02 4484 T= 6776. E= 0.69839902E+03 F= 0.64234371E+03 E0= 0.67179997E+03 EK= 0.56055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346740127619E+03 -0.96258E+00 -0.17036E-01 7668 0.243E+01 0.417E-01 RMM: 2 -0.346771505985E+03 -0.31378E-01 -0.83804E-02 5186 0.679E-01 0.198E+00 RMM: 3 -0.346744701741E+03 0.26804E-01 -0.13535E-02 5356 0.284E-01 0.360E-01 RMM: 4 -0.346744492363E+03 0.20938E-03 -0.27031E-03 5271 0.120E-01 0.333E-01 RMM: 5 -0.346744192231E+03 0.30013E-03 -0.68598E-04 4586 0.688E-02 0.280E-01 RMM: 6 -0.346743698543E+03 0.49369E-03 -0.27929E-04 3892 0.450E-02 0.719E-02 RMM: 7 -0.346743751022E+03 -0.52479E-04 -0.11497E-04 3795 0.281E-02 0.116E-01 RMM: 8 -0.346743670081E+03 0.80941E-04 -0.48901E-05 3271 0.215E-02 0.374E-02 RMM: 9 -0.346743663145E+03 0.69360E-05 -0.92635E-06 2473 0.888E-03 4485 T= 6681. E= 0.69700827E+03 F= 0.64173623E+03 E0= 0.67119506E+03 EK= 0.55272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347924128431E+03 -0.11805E+01 -0.16833E-01 7872 0.239E+01 0.399E-01 RMM: 2 -0.347944932235E+03 -0.20804E-01 -0.87449E-02 5160 0.691E-01 0.153E+00 RMM: 3 -0.347929192508E+03 0.15740E-01 -0.11004E-02 5367 0.240E-01 0.297E-01 RMM: 4 -0.347929671675E+03 -0.47917E-03 -0.23810E-03 5086 0.115E-01 0.425E-01 RMM: 5 -0.347928869451E+03 0.80222E-03 -0.99571E-04 4608 0.860E-02 0.265E-01 RMM: 6 -0.347928442152E+03 0.42730E-03 -0.29326E-04 3896 0.446E-02 0.827E-02 RMM: 7 -0.347928519562E+03 -0.77410E-04 -0.17112E-04 3883 0.366E-02 0.138E-01 RMM: 8 -0.347928401072E+03 0.11849E-03 -0.75992E-05 3531 0.262E-02 0.433E-02 RMM: 9 -0.347928397775E+03 0.32970E-05 -0.14498E-05 2512 0.110E-02 4486 T= 6530. E= 0.69493208E+03 F= 0.64091476E+03 E0= 0.67038471E+03 EK= 0.54017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349350524582E+03 -0.14221E+01 -0.16347E-01 8076 0.236E+01 0.348E-01 RMM: 2 -0.349360920939E+03 -0.10396E-01 -0.77272E-02 5139 0.637E-01 0.935E-01 RMM: 3 -0.349355146235E+03 0.57747E-02 -0.87004E-03 5408 0.204E-01 0.246E-01 RMM: 4 -0.349356056838E+03 -0.91060E-03 -0.17628E-03 4827 0.101E-01 0.464E-01 RMM: 5 -0.349354754196E+03 0.13026E-02 -0.83012E-04 4600 0.777E-02 0.157E-01 RMM: 6 -0.349354655744E+03 0.98452E-04 -0.20911E-04 3890 0.369E-02 0.102E-01 RMM: 7 -0.349354688058E+03 -0.32314E-04 -0.98196E-05 3790 0.288E-02 0.122E-01 RMM: 8 -0.349354594108E+03 0.93949E-04 -0.44285E-05 3235 0.202E-02 0.340E-02 RMM: 9 -0.349354597998E+03 -0.38893E-05 -0.14405E-05 2498 0.109E-02 4487 T= 6380. E= 0.69264147E+03 F= 0.63985802E+03 E0= 0.66934714E+03 EK= 0.52783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351018405532E+03 -0.16638E+01 -0.16297E-01 8016 0.233E+01 0.352E-01 RMM: 2 -0.351029396201E+03 -0.10991E-01 -0.82176E-02 5038 0.656E-01 0.943E-01 RMM: 3 -0.351023436848E+03 0.59594E-02 -0.89032E-03 5453 0.200E-01 0.250E-01 RMM: 4 -0.351024346450E+03 -0.90960E-03 -0.20827E-03 5004 0.112E-01 0.468E-01 RMM: 5 -0.351022991601E+03 0.13548E-02 -0.98088E-04 4605 0.857E-02 0.148E-01 RMM: 6 -0.351022896191E+03 0.95410E-04 -0.16716E-04 3877 0.323E-02 0.934E-02 RMM: 7 -0.351022908907E+03 -0.12716E-04 -0.93697E-05 3808 0.282E-02 4488 T= 6285. E= 0.69055644E+03 F= 0.63856547E+03 E0= 0.66808177E+03 EK= 0.51991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352898795308E+03 -0.18759E+01 -0.15917E-01 8244 0.231E+01 0.388E-01 RMM: 2 -0.352905061858E+03 -0.62666E-02 -0.66437E-02 5234 0.580E-01 0.682E-01 RMM: 3 -0.352902394236E+03 0.26676E-02 -0.68693E-03 5385 0.180E-01 0.354E-01 RMM: 4 -0.352903374045E+03 -0.97981E-03 -0.19731E-03 4831 0.110E-01 0.538E-01 RMM: 5 -0.352901559456E+03 0.18146E-02 -0.10253E-03 4606 0.851E-02 0.155E-01 RMM: 6 -0.352901475151E+03 0.84305E-04 -0.23543E-04 3892 0.387E-02 0.114E-01 RMM: 7 -0.352901477570E+03 -0.24193E-05 -0.10380E-04 3862 0.303E-02 4489 T= 6268. E= 0.68891888E+03 F= 0.63706778E+03 E0= 0.66661769E+03 EK= 0.51851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354923045488E+03 -0.20216E+01 -0.16054E-01 8508 0.231E+01 0.378E-01 RMM: 2 -0.354931610202E+03 -0.85647E-02 -0.69059E-02 5215 0.608E-01 0.898E-01 RMM: 3 -0.354926702343E+03 0.49079E-02 -0.77091E-03 5425 0.195E-01 0.326E-01 RMM: 4 -0.354927603243E+03 -0.90090E-03 -0.20344E-03 4869 0.110E-01 0.493E-01 RMM: 5 -0.354926138679E+03 0.14646E-02 -0.92727E-04 4608 0.821E-02 0.192E-01 RMM: 6 -0.354925916651E+03 0.22203E-03 -0.21709E-04 3889 0.376E-02 0.707E-02 RMM: 7 -0.354925991978E+03 -0.75327E-04 -0.91859E-05 3718 0.263E-02 0.127E-01 RMM: 8 -0.354925896240E+03 0.95738E-04 -0.44499E-05 3250 0.205E-02 0.414E-02 RMM: 9 -0.354925893971E+03 0.22693E-05 -0.16024E-05 2520 0.114E-02 4490 T= 6325. E= 0.68775570E+03 F= 0.63542756E+03 E0= 0.66501556E+03 EK= 0.52328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357000245113E+03 -0.20743E+01 -0.16223E-01 8628 0.233E+01 0.362E-01 RMM: 2 -0.357008860013E+03 -0.86149E-02 -0.68963E-02 5270 0.584E-01 0.870E-01 RMM: 3 -0.357003785130E+03 0.50749E-02 -0.67104E-03 5394 0.180E-01 0.269E-01 RMM: 4 -0.357004916675E+03 -0.11315E-02 -0.16557E-03 4664 0.967E-02 0.506E-01 RMM: 5 -0.357003251243E+03 0.16654E-02 -0.77191E-04 4581 0.733E-02 0.993E-02 RMM: 6 -0.357003226339E+03 0.24904E-04 -0.13500E-04 3870 0.291E-02 0.868E-02 RMM: 7 -0.357003225606E+03 0.73341E-06 -0.46566E-05 3211 0.197E-02 4491 T= 6427. E= 0.68690467E+03 F= 0.63373610E+03 E0= 0.66336559E+03 EK= 0.53169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359022856667E+03 -0.20196E+01 -0.16395E-01 8580 0.235E+01 0.414E-01 RMM: 2 -0.359030202458E+03 -0.73458E-02 -0.74092E-02 5276 0.612E-01 0.782E-01 RMM: 3 -0.359026842383E+03 0.33601E-02 -0.77898E-03 5421 0.193E-01 0.401E-01 RMM: 4 -0.359027984040E+03 -0.11417E-02 -0.22462E-03 4870 0.116E-01 0.584E-01 RMM: 5 -0.359025796187E+03 0.21879E-02 -0.10932E-03 4604 0.871E-02 0.140E-01 RMM: 6 -0.359025724892E+03 0.71295E-04 -0.19645E-04 3880 0.346E-02 0.107E-01 RMM: 7 -0.359025739103E+03 -0.14212E-04 -0.86784E-05 3715 0.255E-02 4492 T= 6526. E= 0.68608384E+03 F= 0.63210027E+03 E0= 0.66177195E+03 EK= 0.53984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360883966419E+03 -0.18582E+01 -0.16625E-01 8580 0.237E+01 0.393E-01 RMM: 2 -0.360892315414E+03 -0.83490E-02 -0.77727E-02 5193 0.621E-01 0.805E-01 RMM: 3 -0.360888272030E+03 0.40434E-02 -0.78425E-03 5411 0.194E-01 0.351E-01 RMM: 4 -0.360889435548E+03 -0.11635E-02 -0.20926E-03 4891 0.111E-01 0.556E-01 RMM: 5 -0.360887480292E+03 0.19553E-02 -0.10002E-03 4600 0.838E-02 0.140E-01 RMM: 6 -0.360887395729E+03 0.84563E-04 -0.18988E-04 3895 0.343E-02 0.923E-02 RMM: 7 -0.360887427117E+03 -0.31388E-04 -0.74480E-05 3567 0.243E-02 0.115E-01 RMM: 8 -0.360887349103E+03 0.78015E-04 -0.40580E-05 3140 0.192E-02 0.354E-02 RMM: 9 -0.360887360457E+03 -0.11355E-04 -0.21242E-05 2586 0.130E-02 4493 T= 6575. E= 0.68501591E+03 F= 0.63062632E+03 E0= 0.66033942E+03 EK= 0.54390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362501870045E+03 -0.16145E+01 -0.16934E-01 8400 0.238E+01 0.376E-01 RMM: 2 -0.362511697131E+03 -0.98271E-02 -0.78575E-02 5136 0.620E-01 0.913E-01 RMM: 3 -0.362506076651E+03 0.56205E-02 -0.79219E-03 5416 0.195E-01 0.287E-01 RMM: 4 -0.362507216202E+03 -0.11396E-02 -0.19607E-03 4883 0.106E-01 0.521E-01 RMM: 5 -0.362505486578E+03 0.17296E-02 -0.88995E-04 4604 0.796E-02 0.126E-01 RMM: 6 -0.362505418458E+03 0.68120E-04 -0.17017E-04 3880 0.326E-02 0.870E-02 RMM: 7 -0.362505440435E+03 -0.21977E-04 -0.60698E-05 3422 0.219E-02 0.109E-01 RMM: 8 -0.362505364197E+03 0.76238E-04 -0.37129E-05 3068 0.187E-02 0.249E-02 RMM: 9 -0.362505373107E+03 -0.89095E-05 -0.14373E-05 2499 0.106E-02 4494 T= 6548. E= 0.68356867E+03 F= 0.62939790E+03 E0= 0.65914963E+03 EK= 0.54171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363830435313E+03 -0.13251E+01 -0.16708E-01 8280 0.236E+01 0.376E-01 RMM: 2 -0.363839369243E+03 -0.89339E-02 -0.77906E-02 5120 0.608E-01 0.836E-01 RMM: 3 -0.363834580828E+03 0.47884E-02 -0.71287E-03 5460 0.182E-01 0.292E-01 RMM: 4 -0.363835711335E+03 -0.11305E-02 -0.21709E-03 4940 0.115E-01 0.530E-01 RMM: 5 -0.363833963923E+03 0.17474E-02 -0.10103E-03 4604 0.845E-02 0.137E-01 RMM: 6 -0.363833916545E+03 0.47379E-04 -0.19677E-04 3883 0.352E-02 0.116E-01 RMM: 7 -0.363833879632E+03 0.36912E-04 -0.76817E-05 3624 0.261E-02 0.933E-02 RMM: 8 -0.363833826862E+03 0.52770E-04 -0.33458E-05 3034 0.174E-02 0.305E-02 RMM: 9 -0.363833844880E+03 -0.18018E-04 -0.18906E-05 2536 0.122E-02 4495 T= 6452. E= 0.68183929E+03 F= 0.62846197E+03 E0= 0.65824756E+03 EK= 0.53377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364863187140E+03 -0.10294E+01 -0.16954E-01 8256 0.234E+01 0.349E-01 RMM: 2 -0.364870389677E+03 -0.72025E-02 -0.75078E-02 5109 0.601E-01 0.650E-01 RMM: 3 -0.364867536500E+03 0.28532E-02 -0.71473E-03 5491 0.183E-01 0.320E-01 RMM: 4 -0.364868374713E+03 -0.83821E-03 -0.17445E-03 4873 0.106E-01 0.494E-01 RMM: 5 -0.364866800133E+03 0.15746E-02 -0.82682E-04 4608 0.761E-02 0.119E-01 RMM: 6 -0.364866820995E+03 -0.20862E-04 -0.21203E-04 3884 0.367E-02 0.137E-01 RMM: 7 -0.364866763737E+03 0.57259E-04 -0.88131E-05 3730 0.280E-02 0.102E-01 RMM: 8 -0.364866699098E+03 0.64639E-04 -0.36699E-05 3082 0.181E-02 0.290E-02 RMM: 9 -0.364866716268E+03 -0.17171E-04 -0.17456E-05 2525 0.117E-02 4496 T= 6322. E= 0.68012160E+03 F= 0.62782498E+03 E0= 0.65763902E+03 EK= 0.52297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365625072630E+03 -0.75837E+00 -0.16858E-01 8172 0.232E+01 0.350E-01 RMM: 2 -0.365635075006E+03 -0.10002E-01 -0.77490E-02 5108 0.618E-01 0.895E-01 RMM: 3 -0.365629508144E+03 0.55669E-02 -0.73811E-03 5502 0.181E-01 0.234E-01 RMM: 4 -0.365630502547E+03 -0.99440E-03 -0.19574E-03 4989 0.112E-01 0.489E-01 RMM: 5 -0.365629049281E+03 0.14533E-02 -0.87677E-04 4602 0.793E-02 0.134E-01 RMM: 6 -0.365629062149E+03 -0.12868E-04 -0.24100E-04 3888 0.393E-02 0.146E-01 RMM: 7 -0.365628971242E+03 0.90907E-04 -0.97774E-05 3804 0.306E-02 0.918E-02 RMM: 8 -0.365628921551E+03 0.49691E-04 -0.31137E-05 3006 0.167E-02 0.322E-02 RMM: 9 -0.365628936471E+03 -0.14921E-04 -0.15034E-05 2512 0.109E-02 4497 T= 6204. E= 0.67878201E+03 F= 0.62746117E+03 E0= 0.65729671E+03 EK= 0.51321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366158381850E+03 -0.52946E+00 -0.16498E-01 8136 0.230E+01 0.340E-01 RMM: 2 -0.366165951693E+03 -0.75698E-02 -0.76452E-02 5064 0.624E-01 0.658E-01 RMM: 3 -0.366163072451E+03 0.28792E-02 -0.78230E-03 5478 0.189E-01 0.299E-01 RMM: 4 -0.366163842719E+03 -0.77027E-03 -0.17530E-03 4951 0.107E-01 0.474E-01 RMM: 5 -0.366162387221E+03 0.14555E-02 -0.79274E-04 4607 0.744E-02 0.113E-01 RMM: 6 -0.366162468692E+03 -0.81471E-04 -0.23322E-04 3900 0.388E-02 0.161E-01 RMM: 7 -0.366162349803E+03 0.11889E-03 -0.93536E-05 3772 0.296E-02 0.923E-02 RMM: 8 -0.366162297842E+03 0.51961E-04 -0.27370E-05 2863 0.158E-02 0.300E-02 RMM: 9 -0.366162313802E+03 -0.15960E-04 -0.18566E-05 2516 0.121E-02 4498 T= 6140. E= 0.67812327E+03 F= 0.62732661E+03 E0= 0.65717738E+03 EK= 0.50797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366506209692E+03 -0.34391E+00 -0.16219E-01 7908 0.230E+01 0.342E-01 RMM: 2 -0.366514783366E+03 -0.85737E-02 -0.69469E-02 5040 0.607E-01 0.833E-01 RMM: 3 -0.366510099792E+03 0.46836E-02 -0.68946E-03 5492 0.177E-01 0.235E-01 RMM: 4 -0.366511097921E+03 -0.99813E-03 -0.18544E-03 4910 0.109E-01 0.485E-01 RMM: 5 -0.366509631794E+03 0.14661E-02 -0.88044E-04 4600 0.794E-02 0.125E-01 RMM: 6 -0.366509661492E+03 -0.29698E-04 -0.21630E-04 3884 0.372E-02 0.146E-01 RMM: 7 -0.366509572589E+03 0.88903E-04 -0.89190E-05 3759 0.290E-02 0.926E-02 RMM: 8 -0.366509520854E+03 0.51735E-04 -0.30622E-05 3006 0.166E-02 0.295E-02 RMM: 9 -0.366509535149E+03 -0.14295E-04 -0.14169E-05 2505 0.104E-02 4499 T= 6155. E= 0.67829745E+03 F= 0.62737556E+03 E0= 0.65723415E+03 EK= 0.50922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366700109744E+03 -0.19059E+00 -0.16625E-01 8076 0.231E+01 0.345E-01 RMM: 2 -0.366707127042E+03 -0.70173E-02 -0.66051E-02 4996 0.598E-01 0.713E-01 RMM: 3 -0.366703921361E+03 0.32057E-02 -0.71237E-03 5424 0.184E-01 0.296E-01 RMM: 4 -0.366704822656E+03 -0.90129E-03 -0.17087E-03 4885 0.105E-01 0.487E-01 RMM: 5 -0.366703279937E+03 0.15427E-02 -0.80877E-04 4604 0.753E-02 0.120E-01 RMM: 6 -0.366703289821E+03 -0.98836E-05 -0.21183E-04 3893 0.367E-02 0.131E-01 RMM: 7 -0.366703235785E+03 0.54035E-04 -0.76604E-05 3601 0.263E-02 0.974E-02 RMM: 8 -0.366703176834E+03 0.58951E-04 -0.30673E-05 2956 0.168E-02 0.279E-02 RMM: 9 -0.366703192789E+03 -0.15955E-04 -0.16717E-05 2506 0.115E-02 4500 T= 6249. E= 0.67926764E+03 F= 0.62757225E+03 E0= 0.65743235E+03 EK= 0.51695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366759351651E+03 -0.56175E-01 -0.16606E-01 7968 0.234E+01 0.350E-01 RMM: 2 -0.366767129487E+03 -0.77778E-02 -0.62300E-02 5030 0.596E-01 0.847E-01 RMM: 3 -0.366762596824E+03 0.45327E-02 -0.66887E-03 5438 0.179E-01 0.255E-01 RMM: 4 -0.366763686134E+03 -0.10893E-02 -0.18376E-03 4893 0.107E-01 0.502E-01 RMM: 5 -0.366762117116E+03 0.15690E-02 -0.84373E-04 4600 0.771E-02 0.130E-01 RMM: 6 -0.366762083112E+03 0.34004E-04 -0.18860E-04 3880 0.347E-02 0.115E-01 RMM: 7 -0.366762046537E+03 0.36575E-04 -0.68450E-05 3529 0.247E-02 0.918E-02 RMM: 8 -0.366761995471E+03 0.51067E-04 -0.31660E-05 3002 0.171E-02 0.284E-02 RMM: 9 -0.366762008570E+03 -0.13099E-04 -0.14594E-05 2496 0.107E-02 4501 T= 6395. E= 0.68080271E+03 F= 0.62789552E+03 E0= 0.65775054E+03 EK= 0.52907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366690959579E+03 0.71036E-01 -0.16832E-01 8076 0.237E+01 0.354E-01 RMM: 2 -0.366698987875E+03 -0.80283E-02 -0.58833E-02 5083 0.584E-01 0.895E-01 RMM: 3 -0.366693903203E+03 0.50847E-02 -0.67423E-03 5361 0.186E-01 0.270E-01 RMM: 4 -0.366695016334E+03 -0.11131E-02 -0.18353E-03 4900 0.106E-01 0.503E-01 RMM: 5 -0.366693408334E+03 0.16080E-02 -0.80395E-04 4594 0.752E-02 0.130E-01 RMM: 6 -0.366693354442E+03 0.53892E-04 -0.16943E-04 3880 0.326E-02 0.101E-01 RMM: 7 -0.366693353523E+03 0.91909E-06 -0.66956E-05 3509 0.236E-02 4502 T= 6549. E= 0.68251273E+03 F= 0.62833696E+03 E0= 0.65818234E+03 EK= 0.54176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366498502314E+03 0.19485E+00 -0.17558E-01 7764 0.240E+01 0.363E-01 RMM: 2 -0.366505396973E+03 -0.68947E-02 -0.60703E-02 5061 0.596E-01 0.785E-01 RMM: 3 -0.366501684806E+03 0.37122E-02 -0.65537E-03 5410 0.178E-01 0.282E-01 RMM: 4 -0.366502754105E+03 -0.10693E-02 -0.18232E-03 4869 0.105E-01 0.510E-01 RMM: 5 -0.366501108200E+03 0.16459E-02 -0.87870E-04 4601 0.784E-02 0.129E-01 RMM: 6 -0.366501086709E+03 0.21491E-04 -0.18067E-04 3888 0.338E-02 0.123E-01 RMM: 7 -0.366501050668E+03 0.36041E-04 -0.84847E-05 3675 0.264E-02 0.100E-01 RMM: 8 -0.366500990418E+03 0.60250E-04 -0.41032E-05 3150 0.193E-02 0.337E-02 RMM: 9 -0.366501005635E+03 -0.15217E-04 -0.18215E-05 2549 0.119E-02 4503 T= 6655. E= 0.68395045E+03 F= 0.62889330E+03 E0= 0.65872505E+03 EK= 0.55057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366190244655E+03 0.31075E+00 -0.18062E-01 7860 0.241E+01 0.321E-01 RMM: 2 -0.366197657665E+03 -0.74130E-02 -0.61733E-02 4980 0.596E-01 0.788E-01 RMM: 3 -0.366193665023E+03 0.39926E-02 -0.67744E-03 5367 0.184E-01 0.244E-01 RMM: 4 -0.366194591365E+03 -0.92634E-03 -0.14942E-03 4819 0.950E-02 0.455E-01 RMM: 5 -0.366193261630E+03 0.13297E-02 -0.65485E-04 4606 0.682E-02 0.119E-01 RMM: 6 -0.366193208467E+03 0.53163E-04 -0.15129E-04 3876 0.312E-02 0.862E-02 RMM: 7 -0.366193218434E+03 -0.99674E-05 -0.54413E-05 3338 0.215E-02 4504 T= 6675. E= 0.68477900E+03 F= 0.62955801E+03 E0= 0.65937402E+03 EK= 0.55221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365784395174E+03 0.40881E+00 -0.18213E-01 7704 0.241E+01 0.350E-01 RMM: 2 -0.365791154184E+03 -0.67590E-02 -0.63585E-02 5046 0.614E-01 0.726E-01 RMM: 3 -0.365787998313E+03 0.31559E-02 -0.70856E-03 5409 0.184E-01 0.283E-01 RMM: 4 -0.365788917820E+03 -0.91951E-03 -0.16873E-03 4867 0.102E-01 0.488E-01 RMM: 5 -0.365787412144E+03 0.15057E-02 -0.85745E-04 4605 0.775E-02 0.136E-01 RMM: 6 -0.365787382994E+03 0.29150E-04 -0.20209E-04 3894 0.363E-02 0.125E-01 RMM: 7 -0.365787362871E+03 0.20123E-04 -0.94496E-05 3739 0.280E-02 0.114E-01 RMM: 8 -0.365787282647E+03 0.80225E-04 -0.50415E-05 3297 0.209E-02 0.366E-02 RMM: 9 -0.365787293259E+03 -0.10613E-04 -0.19006E-05 2558 0.123E-02 4505 T= 6601. E= 0.68492554E+03 F= 0.63031598E+03 E0= 0.66011639E+03 EK= 0.54610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365308871616E+03 0.47841E+00 -0.17541E-01 7728 0.239E+01 0.310E-01 RMM: 2 -0.365317660657E+03 -0.87890E-02 -0.59631E-02 5024 0.579E-01 0.902E-01 RMM: 3 -0.365312184768E+03 0.54759E-02 -0.64441E-03 5361 0.180E-01 0.201E-01 RMM: 4 -0.365313172882E+03 -0.98811E-03 -0.14443E-03 4798 0.938E-02 0.450E-01 RMM: 5 -0.365311887277E+03 0.12856E-02 -0.64528E-04 4591 0.689E-02 0.108E-01 RMM: 6 -0.365311881162E+03 0.61143E-05 -0.15096E-04 3874 0.312E-02 4506 T= 6464. E= 0.68461458E+03 F= 0.63114039E+03 E0= 0.66092625E+03 EK= 0.53474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364798708138E+03 0.51318E+00 -0.16778E-01 7476 0.236E+01 0.394E-01 RMM: 2 -0.364816213457E+03 -0.17505E-01 -0.64145E-02 5164 0.620E-01 0.146E+00 RMM: 3 -0.364802007929E+03 0.14206E-01 -0.10025E-02 5336 0.243E-01 0.310E-01 RMM: 4 -0.364802122581E+03 -0.11465E-03 -0.19188E-03 4930 0.102E-01 0.356E-01 RMM: 5 -0.364801718577E+03 0.40400E-03 -0.88413E-04 4607 0.791E-02 0.283E-01 RMM: 6 -0.364801238528E+03 0.48005E-03 -0.40394E-04 4132 0.532E-02 0.979E-02 RMM: 7 -0.364801339384E+03 -0.10086E-03 -0.15175E-04 3872 0.342E-02 0.161E-01 RMM: 8 -0.364801180327E+03 0.15906E-03 -0.80871E-05 3636 0.272E-02 0.457E-02 RMM: 9 -0.364801184033E+03 -0.37064E-05 -0.22893E-05 2688 0.139E-02 4507 T= 6316. E= 0.68425158E+03 F= 0.63199778E+03 E0= 0.66177226E+03 EK= 0.52254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364286167948E+03 0.51501E+00 -0.16385E-01 7380 0.234E+01 0.375E-01 RMM: 2 -0.364305352952E+03 -0.19185E-01 -0.60461E-02 5204 0.595E-01 0.156E+00 RMM: 3 -0.364289280987E+03 0.16072E-01 -0.99701E-03 5335 0.245E-01 0.339E-01 RMM: 4 -0.364289088750E+03 0.19224E-03 -0.19673E-03 4927 0.103E-01 0.309E-01 RMM: 5 -0.364288852350E+03 0.23640E-03 -0.63034E-04 4601 0.675E-02 0.262E-01 RMM: 6 -0.364288408911E+03 0.44344E-03 -0.23487E-04 3888 0.412E-02 0.621E-02 RMM: 7 -0.364288464173E+03 -0.55262E-04 -0.10289E-04 3752 0.278E-02 0.110E-01 RMM: 8 -0.364288388152E+03 0.76021E-04 -0.42236E-05 3206 0.203E-02 0.304E-02 RMM: 9 -0.364288385947E+03 0.22050E-05 -0.83501E-06 2470 0.842E-03 4508 T= 6212. E= 0.68424448E+03 F= 0.63285446E+03 E0= 0.66261957E+03 EK= 0.51390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363795765995E+03 0.49262E+00 -0.16472E-01 7704 0.232E+01 0.362E-01 RMM: 2 -0.363813823108E+03 -0.18057E-01 -0.64229E-02 5261 0.610E-01 0.149E+00 RMM: 3 -0.363799208903E+03 0.14614E-01 -0.83756E-03 5353 0.218E-01 0.282E-01 RMM: 4 -0.363799376141E+03 -0.16724E-03 -0.18908E-03 4818 0.102E-01 0.347E-01 RMM: 5 -0.363798907787E+03 0.46835E-03 -0.75268E-04 4604 0.750E-02 0.241E-01 RMM: 6 -0.363798546255E+03 0.36153E-03 -0.24911E-04 3890 0.412E-02 0.749E-02 RMM: 7 -0.363798618135E+03 -0.71880E-04 -0.11929E-04 3859 0.307E-02 0.129E-01 RMM: 8 -0.363798513230E+03 0.10491E-03 -0.49600E-05 3307 0.215E-02 0.380E-02 RMM: 9 -0.363798512716E+03 0.51374E-06 -0.13631E-05 2505 0.105E-02 4509 T= 6187. E= 0.68486811E+03 F= 0.63368376E+03 E0= 0.66344208E+03 EK= 0.51184E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363344645859E+03 0.45387E+00 -0.16748E-01 7860 0.232E+01 0.335E-01 RMM: 2 -0.363357682022E+03 -0.13036E-01 -0.74627E-02 5108 0.643E-01 0.113E+00 RMM: 3 -0.363349201958E+03 0.84801E-02 -0.84455E-03 5386 0.207E-01 0.228E-01 RMM: 4 -0.363349895188E+03 -0.69323E-03 -0.17099E-03 4858 0.998E-02 0.405E-01 RMM: 5 -0.363348932490E+03 0.96270E-03 -0.61090E-04 4595 0.642E-02 0.168E-01 RMM: 6 -0.363348791750E+03 0.14074E-03 -0.19995E-04 3876 0.367E-02 0.875E-02 RMM: 7 -0.363348844934E+03 -0.53183E-04 -0.76642E-05 3579 0.248E-02 0.125E-01 RMM: 8 -0.363348745820E+03 0.99113E-04 -0.40578E-05 3155 0.197E-02 0.266E-02 RMM: 9 -0.363348755422E+03 -0.96014E-05 -0.13111E-05 2497 0.103E-02 4510 T= 6253. E= 0.68619280E+03 F= 0.63446636E+03 E0= 0.66422041E+03 EK= 0.51726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362943927623E+03 0.40482E+00 -0.17111E-01 7908 0.233E+01 0.313E-01 RMM: 2 -0.362955400466E+03 -0.11473E-01 -0.84050E-02 5054 0.675E-01 0.916E-01 RMM: 3 -0.362949609834E+03 0.57906E-02 -0.85492E-03 5432 0.200E-01 0.244E-01 RMM: 4 -0.362950117930E+03 -0.50810E-03 -0.16747E-03 4859 0.987E-02 0.386E-01 RMM: 5 -0.362949269825E+03 0.84810E-03 -0.62620E-04 4580 0.662E-02 0.164E-01 RMM: 6 -0.362949115902E+03 0.15392E-03 -0.15380E-04 3879 0.317E-02 0.723E-02 RMM: 7 -0.362949152638E+03 -0.36736E-04 -0.78929E-05 3587 0.246E-02 0.105E-01 RMM: 8 -0.362949085040E+03 0.67598E-04 -0.38775E-05 3103 0.195E-02 0.302E-02 RMM: 9 -0.362949088104E+03 -0.30639E-05 -0.11480E-05 2478 0.950E-03 4511 T= 6391. E= 0.68806389E+03 F= 0.63519051E+03 E0= 0.66494155E+03 EK= 0.52873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362599985644E+03 0.34910E+00 -0.17435E-01 7920 0.235E+01 0.326E-01 RMM: 2 -0.362613471256E+03 -0.13486E-01 -0.99125E-02 4978 0.733E-01 0.993E-01 RMM: 3 -0.362606835097E+03 0.66362E-02 -0.10653E-02 5499 0.219E-01 0.218E-01 RMM: 4 -0.362607587059E+03 -0.75196E-03 -0.16885E-03 4921 0.989E-02 0.419E-01 RMM: 5 -0.362606491548E+03 0.10955E-02 -0.59213E-04 4564 0.619E-02 0.134E-01 RMM: 6 -0.362606415205E+03 0.76342E-04 -0.15271E-04 3873 0.313E-02 0.856E-02 RMM: 7 -0.362606444582E+03 -0.29377E-04 -0.64457E-05 3461 0.221E-02 0.111E-01 RMM: 8 -0.362606368151E+03 0.76431E-04 -0.37295E-05 3077 0.190E-02 0.253E-02 RMM: 9 -0.362606377383E+03 -0.92317E-05 -0.14265E-05 2486 0.106E-02 4512 T= 6560. E= 0.69011838E+03 F= 0.63584861E+03 E0= 0.66559813E+03 EK= 0.54270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362324456681E+03 0.28191E+00 -0.17463E-01 8040 0.236E+01 0.316E-01 RMM: 2 -0.362336879920E+03 -0.12423E-01 -0.87857E-02 5119 0.685E-01 0.967E-01 RMM: 3 -0.362330405031E+03 0.64749E-02 -0.84965E-03 5521 0.195E-01 0.230E-01 RMM: 4 -0.362330908699E+03 -0.50367E-03 -0.16325E-03 4813 0.982E-02 0.378E-01 RMM: 5 -0.362330081887E+03 0.82681E-03 -0.58227E-04 4561 0.632E-02 0.162E-01 RMM: 6 -0.362329934119E+03 0.14777E-03 -0.16038E-04 3884 0.324E-02 0.734E-02 RMM: 7 -0.362329986122E+03 -0.52003E-04 -0.77950E-05 3576 0.241E-02 0.116E-01 RMM: 8 -0.362329902824E+03 0.83297E-04 -0.41188E-05 3163 0.200E-02 0.304E-02 RMM: 9 -0.362329905590E+03 -0.27659E-05 -0.12471E-05 2481 0.988E-03 4513 T= 6701. E= 0.69186690E+03 F= 0.63643199E+03 E0= 0.66618055E+03 EK= 0.55435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362127958931E+03 0.20194E+00 -0.17348E-01 7908 0.237E+01 0.304E-01 RMM: 2 -0.362139459270E+03 -0.11500E-01 -0.84987E-02 5176 0.665E-01 0.911E-01 RMM: 3 -0.362133639819E+03 0.58195E-02 -0.79405E-03 5511 0.191E-01 0.218E-01 RMM: 4 -0.362134293433E+03 -0.65361E-03 -0.14209E-03 4760 0.924E-02 0.396E-01 RMM: 5 -0.362133324870E+03 0.96856E-03 -0.53105E-04 4478 0.592E-02 0.139E-01 RMM: 6 -0.362133240087E+03 0.84784E-04 -0.15851E-04 3884 0.324E-02 0.879E-02 RMM: 7 -0.362133272046E+03 -0.31960E-04 -0.78829E-05 3570 0.241E-02 0.113E-01 RMM: 8 -0.362133192566E+03 0.79481E-04 -0.44502E-05 3194 0.206E-02 0.292E-02 RMM: 9 -0.362133196696E+03 -0.41300E-05 -0.12971E-05 2484 0.102E-02 4514 T= 6761. E= 0.69286290E+03 F= 0.63692890E+03 E0= 0.66667733E+03 EK= 0.55934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362032412513E+03 0.10078E+00 -0.17011E-01 7932 0.236E+01 0.300E-01 RMM: 2 -0.362044989962E+03 -0.12577E-01 -0.85910E-02 5138 0.674E-01 0.971E-01 RMM: 3 -0.362038276222E+03 0.67137E-02 -0.82603E-03 5542 0.193E-01 0.214E-01 RMM: 4 -0.362038687621E+03 -0.41140E-03 -0.14811E-03 4833 0.941E-02 0.354E-01 RMM: 5 -0.362037982448E+03 0.70517E-03 -0.54198E-04 4540 0.619E-02 0.157E-01 RMM: 6 -0.362037853447E+03 0.12900E-03 -0.15266E-04 3880 0.316E-02 0.809E-02 RMM: 7 -0.362037886690E+03 -0.33243E-04 -0.80858E-05 3611 0.248E-02 0.109E-01 RMM: 8 -0.362037814918E+03 0.71773E-04 -0.39881E-05 3131 0.196E-02 0.303E-02 RMM: 9 -0.362037817127E+03 -0.22091E-05 -0.10959E-05 2471 0.920E-03 4515 T= 6719. E= 0.69290050E+03 F= 0.63732025E+03 E0= 0.66706923E+03 EK= 0.55580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362065831874E+03 -0.28017E-01 -0.16459E-01 7776 0.233E+01 0.287E-01 RMM: 2 -0.362077638148E+03 -0.11806E-01 -0.85827E-02 5100 0.669E-01 0.913E-01 RMM: 3 -0.362071778453E+03 0.58597E-02 -0.82324E-03 5524 0.195E-01 0.223E-01 RMM: 4 -0.362072116295E+03 -0.33784E-03 -0.12802E-03 4768 0.876E-02 0.337E-01 RMM: 5 -0.362071453421E+03 0.66287E-03 -0.51913E-04 4509 0.603E-02 0.150E-01 RMM: 6 -0.362071358586E+03 0.94835E-04 -0.17884E-04 3876 0.347E-02 0.960E-02 RMM: 7 -0.362071390148E+03 -0.31562E-04 -0.91214E-05 3710 0.265E-02 0.119E-01 RMM: 8 -0.362071301865E+03 0.88283E-04 -0.46446E-05 3246 0.208E-02 0.310E-02 RMM: 9 -0.362071304140E+03 -0.22747E-05 -0.12319E-05 2480 0.100E-02 4516 T= 6592. E= 0.69211545E+03 F= 0.63758086E+03 E0= 0.66733216E+03 EK= 0.54535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362258599842E+03 -0.18730E+00 -0.15669E-01 7908 0.230E+01 0.285E-01 RMM: 2 -0.362271243298E+03 -0.12643E-01 -0.83139E-02 5127 0.657E-01 0.983E-01 RMM: 3 -0.362264378746E+03 0.68646E-02 -0.78504E-03 5530 0.190E-01 0.199E-01 RMM: 4 -0.362264736887E+03 -0.35814E-03 -0.12762E-03 4727 0.872E-02 0.332E-01 RMM: 5 -0.362264105256E+03 0.63163E-03 -0.52970E-04 4588 0.622E-02 0.149E-01 RMM: 6 -0.362264025186E+03 0.80069E-04 -0.19615E-04 3882 0.356E-02 0.106E-01 RMM: 7 -0.362264045001E+03 -0.19814E-04 -0.93077E-05 3721 0.280E-02 4517 T= 6434. E= 0.69090535E+03 F= 0.63768200E+03 E0= 0.66743855E+03 EK= 0.53223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362637962577E+03 -0.37394E+00 -0.14894E-01 7908 0.227E+01 0.307E-01 RMM: 2 -0.362649509471E+03 -0.11547E-01 -0.83734E-02 5112 0.663E-01 0.909E-01 RMM: 3 -0.362643807835E+03 0.57016E-02 -0.81060E-03 5461 0.194E-01 0.265E-01 RMM: 4 -0.362643979289E+03 -0.17145E-03 -0.14218E-03 4773 0.922E-02 0.329E-01 RMM: 5 -0.362643313217E+03 0.66607E-03 -0.67004E-04 4588 0.691E-02 0.141E-01 RMM: 6 -0.362643304052E+03 0.91651E-05 -0.23223E-04 3902 0.395E-02 0.138E-01 RMM: 7 -0.362643277912E+03 0.26140E-04 -0.12393E-04 3876 0.324E-02 0.123E-01 RMM: 8 -0.362643184724E+03 0.93188E-04 -0.57196E-05 3372 0.220E-02 0.362E-02 RMM: 9 -0.362643195452E+03 -0.10728E-04 -0.18467E-05 2543 0.123E-02 4518 T= 6303. E= 0.68973578E+03 F= 0.63759695E+03 E0= 0.66736124E+03 EK= 0.52139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363223226057E+03 -0.58004E+00 -0.14357E-01 7752 0.225E+01 0.277E-01 RMM: 2 -0.363236922751E+03 -0.13697E-01 -0.83650E-02 5063 0.662E-01 0.105E+00 RMM: 3 -0.363229202860E+03 0.77199E-02 -0.87710E-03 5435 0.204E-01 0.196E-01 RMM: 4 -0.363229449490E+03 -0.24663E-03 -0.11883E-03 4658 0.801E-02 0.292E-01 RMM: 5 -0.363228974231E+03 0.47526E-03 -0.43148E-04 4531 0.558E-02 0.148E-01 RMM: 6 -0.363228863607E+03 0.11062E-03 -0.17868E-04 3880 0.350E-02 0.769E-02 RMM: 7 -0.363228914947E+03 -0.51340E-04 -0.68250E-05 3510 0.235E-02 0.117E-01 RMM: 8 -0.363228826784E+03 0.88163E-04 -0.35551E-05 3066 0.187E-02 0.244E-02 RMM: 9 -0.363228826382E+03 0.40232E-06 -0.72226E-06 2457 0.749E-03 4519 T= 6244. E= 0.68895959E+03 F= 0.63730497E+03 E0= 0.66708152E+03 EK= 0.51655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364020361738E+03 -0.79153E+00 -0.14014E-01 7800 0.225E+01 0.308E-01 RMM: 2 -0.364031057873E+03 -0.10696E-01 -0.70572E-02 5248 0.607E-01 0.950E-01 RMM: 3 -0.364024877218E+03 0.61807E-02 -0.66158E-03 5428 0.178E-01 0.245E-01 RMM: 4 -0.364025227016E+03 -0.34980E-03 -0.14524E-03 4688 0.925E-02 0.350E-01 RMM: 5 -0.364024556310E+03 0.67071E-03 -0.57592E-04 4547 0.631E-02 0.178E-01 RMM: 6 -0.364024381673E+03 0.17464E-03 -0.18951E-04 3890 0.360E-02 0.820E-02 RMM: 7 -0.364024439014E+03 -0.57341E-04 -0.98063E-05 3788 0.276E-02 0.126E-01 RMM: 8 -0.364024339351E+03 0.99663E-04 -0.45288E-05 3242 0.203E-02 0.312E-02 RMM: 9 -0.364024342529E+03 -0.31779E-05 -0.14172E-05 2484 0.106E-02 4520 T= 6276. E= 0.68872347E+03 F= 0.63680124E+03 E0= 0.66659552E+03 EK= 0.51922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365009175974E+03 -0.98484E+00 -0.14516E-01 7800 0.227E+01 0.314E-01 RMM: 2 -0.365023303147E+03 -0.14127E-01 -0.76882E-02 5076 0.645E-01 0.114E+00 RMM: 3 -0.365014216761E+03 0.90864E-02 -0.84450E-03 5390 0.203E-01 0.218E-01 RMM: 4 -0.365014635090E+03 -0.41833E-03 -0.15067E-03 4713 0.906E-02 0.341E-01 RMM: 5 -0.365013984831E+03 0.65026E-03 -0.48550E-04 4507 0.573E-02 0.167E-01 RMM: 6 -0.365013826204E+03 0.15863E-03 -0.16909E-04 3880 0.340E-02 0.705E-02 RMM: 7 -0.365013885596E+03 -0.59392E-04 -0.78063E-05 3583 0.241E-02 0.118E-01 RMM: 8 -0.365013800708E+03 0.84888E-04 -0.39369E-05 3133 0.196E-02 0.322E-02 RMM: 9 -0.365013799829E+03 0.87898E-06 -0.10724E-05 2468 0.919E-03 4521 T= 6387. E= 0.68893772E+03 F= 0.63610023E+03 E0= 0.66591823E+03 EK= 0.52837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366151514837E+03 -0.11377E+01 -0.14950E-01 7872 0.229E+01 0.308E-01 RMM: 2 -0.366162516051E+03 -0.11001E-01 -0.70992E-02 5134 0.614E-01 0.975E-01 RMM: 3 -0.366156046442E+03 0.64696E-02 -0.73166E-03 5408 0.188E-01 0.233E-01 RMM: 4 -0.366156645598E+03 -0.59916E-03 -0.15306E-03 4745 0.943E-02 0.387E-01 RMM: 5 -0.366155779908E+03 0.86569E-03 -0.51819E-04 4454 0.583E-02 0.164E-01 RMM: 6 -0.366155619716E+03 0.16019E-03 -0.15024E-04 3876 0.322E-02 0.627E-02 RMM: 7 -0.366155678061E+03 -0.58345E-04 -0.77343E-05 3566 0.237E-02 0.115E-01 RMM: 8 -0.366155594645E+03 0.83416E-04 -0.40402E-05 3142 0.198E-02 0.256E-02 RMM: 9 -0.366155597856E+03 -0.32108E-05 -0.12248E-05 2472 0.977E-03 4522 T= 6535. E= 0.68930314E+03 F= 0.63524268E+03 E0= 0.66509105E+03 EK= 0.54060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367380806013E+03 -0.12252E+01 -0.15167E-01 7944 0.232E+01 0.304E-01 RMM: 2 -0.367390846245E+03 -0.10040E-01 -0.70941E-02 5188 0.606E-01 0.896E-01 RMM: 3 -0.367385299980E+03 0.55463E-02 -0.67511E-03 5418 0.176E-01 0.220E-01 RMM: 4 -0.367385952317E+03 -0.65234E-03 -0.14680E-03 4693 0.922E-02 0.391E-01 RMM: 5 -0.367384983067E+03 0.96925E-03 -0.51282E-04 4491 0.587E-02 0.123E-01 RMM: 6 -0.367384906480E+03 0.76587E-04 -0.11128E-04 3820 0.273E-02 0.690E-02 RMM: 7 -0.367384933655E+03 -0.27175E-04 -0.57276E-05 3358 0.209E-02 0.971E-02 RMM: 8 -0.367384875054E+03 0.58602E-04 -0.31992E-05 2977 0.180E-02 0.237E-02 RMM: 9 -0.367384880170E+03 -0.51165E-05 -0.10861E-05 2462 0.900E-03 4523 T= 6661. E= 0.68939697E+03 F= 0.63429358E+03 E0= 0.66417888E+03 EK= 0.55103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368622390383E+03 -0.12375E+01 -0.15356E-01 7920 0.234E+01 0.298E-01 RMM: 2 -0.368631374770E+03 -0.89844E-02 -0.76798E-02 5189 0.619E-01 0.758E-01 RMM: 3 -0.368627413943E+03 0.39608E-02 -0.69194E-03 5429 0.176E-01 0.228E-01 RMM: 4 -0.368628108117E+03 -0.69417E-03 -0.13395E-03 4679 0.883E-02 0.410E-01 RMM: 5 -0.368627071402E+03 0.10367E-02 -0.52113E-04 4430 0.583E-02 0.125E-01 RMM: 6 -0.368626995571E+03 0.75831E-04 -0.12633E-04 3869 0.291E-02 0.705E-02 RMM: 7 -0.368627031297E+03 -0.35726E-04 -0.60138E-05 3417 0.212E-02 0.105E-01 RMM: 8 -0.368626962756E+03 0.68541E-04 -0.33776E-05 2978 0.183E-02 0.246E-02 RMM: 9 -0.368626967422E+03 -0.46652E-05 -0.12397E-05 2470 0.971E-03 4524 T= 6710. E= 0.68883916E+03 F= 0.63332872E+03 E0= 0.66325712E+03 EK= 0.55510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369809812400E+03 -0.11828E+01 -0.15602E-01 7884 0.234E+01 0.291E-01 RMM: 2 -0.369819385024E+03 -0.95726E-02 -0.83471E-02 5189 0.633E-01 0.736E-01 RMM: 3 -0.369815522902E+03 0.38621E-02 -0.71400E-03 5490 0.171E-01 0.221E-01 RMM: 4 -0.369816050283E+03 -0.52738E-03 -0.13710E-03 4718 0.900E-02 0.376E-01 RMM: 5 -0.369815130863E+03 0.91942E-03 -0.54898E-04 4550 0.609E-02 0.104E-01 RMM: 6 -0.369815098606E+03 0.32257E-04 -0.10659E-04 3819 0.264E-02 0.840E-02 RMM: 7 -0.369815110428E+03 -0.11822E-04 -0.63676E-05 3453 0.219E-02 4525 T= 6657. E= 0.68748734E+03 F= 0.63241656E+03 E0= 0.66239294E+03 EK= 0.55071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370903179669E+03 -0.10881E+01 -0.15633E-01 8184 0.232E+01 0.300E-01 RMM: 2 -0.370912501251E+03 -0.93216E-02 -0.79877E-02 5251 0.613E-01 0.742E-01 RMM: 3 -0.370908573652E+03 0.39276E-02 -0.67378E-03 5447 0.172E-01 0.250E-01 RMM: 4 -0.370909143674E+03 -0.57002E-03 -0.14051E-03 4660 0.906E-02 0.396E-01 RMM: 5 -0.370908142513E+03 0.10012E-02 -0.56676E-04 4553 0.611E-02 0.118E-01 RMM: 6 -0.370908114017E+03 0.28496E-04 -0.13967E-04 3876 0.300E-02 0.103E-01 RMM: 7 -0.370908126742E+03 -0.12725E-04 -0.86126E-05 3676 0.250E-02 4526 T= 6519. E= 0.68552839E+03 F= 0.63159987E+03 E0= 0.66162781E+03 EK= 0.53929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371888186478E+03 -0.98007E+00 -0.15810E-01 8484 0.229E+01 0.294E-01 RMM: 2 -0.371898123491E+03 -0.99370E-02 -0.78487E-02 5262 0.607E-01 0.822E-01 RMM: 3 -0.371893382669E+03 0.47408E-02 -0.64804E-03 5423 0.173E-01 0.224E-01 RMM: 4 -0.371893904043E+03 -0.52137E-03 -0.12909E-03 4662 0.861E-02 0.367E-01 RMM: 5 -0.371893083117E+03 0.82093E-03 -0.50783E-04 4529 0.590E-02 0.144E-01 RMM: 6 -0.371892982676E+03 0.10044E-03 -0.16204E-04 3891 0.327E-02 0.818E-02 RMM: 7 -0.371893049147E+03 -0.66471E-04 -0.81900E-05 3632 0.248E-02 0.129E-01 RMM: 8 -0.371892944795E+03 0.10435E-03 -0.44970E-05 3209 0.204E-02 0.305E-02 RMM: 9 -0.371892945821E+03 -0.10261E-05 -0.12641E-05 2478 0.992E-03 4527 T= 6347. E= 0.68339774E+03 F= 0.63089255E+03 E0= 0.66097486E+03 EK= 0.52505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372772634265E+03 -0.87969E+00 -0.15861E-01 8508 0.225E+01 0.267E-01 RMM: 2 -0.372782637954E+03 -0.10004E-01 -0.78956E-02 5278 0.601E-01 0.787E-01 RMM: 3 -0.372778061098E+03 0.45769E-02 -0.61878E-03 5439 0.167E-01 0.219E-01 RMM: 4 -0.372778330053E+03 -0.26896E-03 -0.11829E-03 4626 0.816E-02 0.309E-01 RMM: 5 -0.372777791613E+03 0.53844E-03 -0.41754E-04 4310 0.536E-02 0.152E-01 RMM: 6 -0.372777660219E+03 0.13139E-03 -0.13973E-04 3880 0.315E-02 0.621E-02 RMM: 7 -0.372777716046E+03 -0.55827E-04 -0.66439E-05 3489 0.222E-02 0.114E-01 RMM: 8 -0.372777634686E+03 0.81360E-04 -0.33974E-05 3009 0.185E-02 0.243E-02 RMM: 9 -0.372777634563E+03 0.12243E-06 -0.81217E-06 2457 0.768E-03 4528 T= 6201. E= 0.68158481E+03 F= 0.63028622E+03 E0= 0.66042372E+03 EK= 0.51299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373567202039E+03 -0.78957E+00 -0.16109E-01 8580 0.223E+01 0.283E-01 RMM: 2 -0.373576599559E+03 -0.93975E-02 -0.81058E-02 5372 0.589E-01 0.726E-01 RMM: 3 -0.373572561909E+03 0.40376E-02 -0.55153E-03 5450 0.157E-01 0.209E-01 RMM: 4 -0.373573121180E+03 -0.55927E-03 -0.12953E-03 4630 0.874E-02 0.370E-01 RMM: 5 -0.373572255239E+03 0.86594E-03 -0.52105E-04 4492 0.592E-02 0.122E-01 RMM: 6 -0.373572204607E+03 0.50632E-04 -0.12811E-04 3878 0.288E-02 0.902E-02 RMM: 7 -0.373572231683E+03 -0.27076E-04 -0.78856E-05 3638 0.246E-02 0.112E-01 RMM: 8 -0.373572153613E+03 0.78070E-04 -0.41578E-05 3167 0.197E-02 0.269E-02 RMM: 9 -0.373572157723E+03 -0.41099E-05 -0.11408E-05 2474 0.929E-03 4529 T= 6128. E= 0.68046301E+03 F= 0.62976937E+03 E0= 0.65996241E+03 EK= 0.50694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374270131674E+03 -0.69798E+00 -0.16853E-01 8988 0.223E+01 0.283E-01 RMM: 2 -0.374282036409E+03 -0.11905E-01 -0.88589E-02 5333 0.612E-01 0.887E-01 RMM: 3 -0.374276135052E+03 0.59014E-02 -0.64284E-03 5429 0.170E-01 0.203E-01 RMM: 4 -0.374276655522E+03 -0.52047E-03 -0.13763E-03 4638 0.890E-02 0.357E-01 RMM: 5 -0.374275885433E+03 0.77009E-03 -0.46769E-04 4312 0.554E-02 0.130E-01 RMM: 6 -0.374275798618E+03 0.86814E-04 -0.11098E-04 3828 0.275E-02 0.676E-02 RMM: 7 -0.374275849351E+03 -0.50732E-04 -0.74574E-05 3547 0.230E-02 0.112E-01 RMM: 8 -0.374275772609E+03 0.76742E-04 -0.40774E-05 3123 0.200E-02 0.257E-02 RMM: 9 -0.374275774104E+03 -0.14952E-05 -0.91242E-06 2464 0.824E-03 4530 T= 6148. E= 0.68020159E+03 F= 0.62934047E+03 E0= 0.65958894E+03 EK= 0.50861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374862331884E+03 -0.58656E+00 -0.18509E-01 9024 0.224E+01 0.284E-01 RMM: 2 -0.374873807770E+03 -0.11476E-01 -0.99729E-02 5411 0.630E-01 0.759E-01 RMM: 3 -0.374869210002E+03 0.45978E-02 -0.62697E-03 5409 0.167E-01 0.198E-01 RMM: 4 -0.374869825733E+03 -0.61573E-03 -0.12799E-03 4635 0.847E-02 0.378E-01 RMM: 5 -0.374868937441E+03 0.88829E-03 -0.48020E-04 4290 0.558E-02 0.113E-01 RMM: 6 -0.374868881009E+03 0.56432E-04 -0.10628E-04 3833 0.264E-02 0.715E-02 RMM: 7 -0.374868921300E+03 -0.40290E-04 -0.65785E-05 3481 0.217E-02 0.109E-01 RMM: 8 -0.374868846971E+03 0.74329E-04 -0.36926E-05 3049 0.189E-02 0.226E-02 RMM: 9 -0.374868851155E+03 -0.41843E-05 -0.10428E-05 2463 0.882E-03 4531 T= 6253. E= 0.68074655E+03 F= 0.62901680E+03 E0= 0.65931926E+03 EK= 0.51730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375310357319E+03 -0.44151E+00 -0.20830E-01 9036 0.226E+01 0.290E-01 RMM: 2 -0.375323365932E+03 -0.13009E-01 -0.11234E-01 5538 0.659E-01 0.786E-01 RMM: 3 -0.375318335606E+03 0.50303E-02 -0.65824E-03 5436 0.169E-01 0.214E-01 RMM: 4 -0.375318901460E+03 -0.56585E-03 -0.13837E-03 4642 0.874E-02 0.379E-01 RMM: 5 -0.375318006718E+03 0.89474E-03 -0.51129E-04 4383 0.577E-02 0.108E-01 RMM: 6 -0.375317952066E+03 0.54652E-04 -0.86724E-05 3673 0.237E-02 0.679E-02 RMM: 7 -0.375317981200E+03 -0.29134E-04 -0.66754E-05 3499 0.212E-02 0.991E-02 RMM: 8 -0.375317921259E+03 0.59941E-04 -0.33343E-05 2975 0.181E-02 0.222E-02 RMM: 9 -0.375317926182E+03 -0.49233E-05 -0.10536E-05 2463 0.894E-03 4532 T= 6407. E= 0.68183361E+03 F= 0.62883010E+03 E0= 0.65918383E+03 EK= 0.53004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375576017184E+03 -0.25810E+00 -0.23862E-01 8952 0.229E+01 0.290E-01 RMM: 2 -0.375590179799E+03 -0.14163E-01 -0.12874E-01 5643 0.694E-01 0.754E-01 RMM: 3 -0.375585409273E+03 0.47705E-02 -0.68234E-03 5454 0.171E-01 0.212E-01 RMM: 4 -0.375585954240E+03 -0.54497E-03 -0.13003E-03 4634 0.841E-02 0.376E-01 RMM: 5 -0.375585067883E+03 0.88636E-03 -0.49167E-04 4320 0.557E-02 0.106E-01 RMM: 6 -0.375585021775E+03 0.46108E-04 -0.93529E-05 3723 0.246E-02 0.725E-02 RMM: 7 -0.375585058082E+03 -0.36307E-04 -0.71516E-05 3581 0.217E-02 0.108E-01 RMM: 8 -0.375584985673E+03 0.72410E-04 -0.37795E-05 3052 0.187E-02 0.220E-02 RMM: 9 -0.375584990954E+03 -0.52818E-05 -0.11322E-05 2468 0.933E-03 4533 T= 6556. E= 0.68304936E+03 F= 0.62881773E+03 E0= 0.65921744E+03 EK= 0.54232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375632949573E+03 -0.47964E-01 -0.27788E-01 8820 0.231E+01 0.283E-01 RMM: 2 -0.375648627532E+03 -0.15678E-01 -0.14308E-01 5710 0.720E-01 0.738E-01 RMM: 3 -0.375643592094E+03 0.50354E-02 -0.72064E-03 5503 0.173E-01 0.214E-01 RMM: 4 -0.375644082157E+03 -0.49006E-03 -0.13104E-03 4635 0.849E-02 0.368E-01 RMM: 5 -0.375643227487E+03 0.85467E-03 -0.49322E-04 4314 0.557E-02 0.957E-02 RMM: 6 -0.375643201264E+03 0.26223E-04 -0.86595E-05 3653 0.237E-02 0.784E-02 RMM: 7 -0.375643219594E+03 -0.18330E-04 -0.70649E-05 3604 0.214E-02 4534 T= 6642. E= 0.68395821E+03 F= 0.62900692E+03 E0= 0.65944467E+03 EK= 0.54951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375473470160E+03 0.16973E+00 -0.30795E-01 8616 0.232E+01 0.282E-01 RMM: 2 -0.375490037281E+03 -0.16567E-01 -0.15210E-01 5808 0.735E-01 0.739E-01 RMM: 3 -0.375484898684E+03 0.51386E-02 -0.72756E-03 5491 0.177E-01 0.210E-01 RMM: 4 -0.375485395712E+03 -0.49703E-03 -0.12414E-03 4644 0.811E-02 0.368E-01 RMM: 5 -0.375484543627E+03 0.85208E-03 -0.47427E-04 4358 0.548E-02 0.955E-02 RMM: 6 -0.375484540293E+03 0.33344E-05 -0.97009E-05 3756 0.250E-02 4535 T= 6634. E= 0.68428735E+03 F= 0.62940690E+03 E0= 0.65987307E+03 EK= 0.54880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375119057651E+03 0.36549E+00 -0.32786E-01 8472 0.232E+01 0.341E-01 RMM: 2 -0.375144763961E+03 -0.25706E-01 -0.16189E-01 5701 0.767E-01 0.135E+00 RMM: 3 -0.375131085253E+03 0.13679E-01 -0.12211E-02 5369 0.250E-01 0.273E-01 RMM: 4 -0.375131023641E+03 0.61611E-04 -0.16000E-03 4733 0.852E-02 0.272E-01 RMM: 5 -0.375130704713E+03 0.31893E-03 -0.41162E-04 4331 0.508E-02 0.183E-01 RMM: 6 -0.375130514879E+03 0.18983E-03 -0.18929E-04 3880 0.363E-02 0.751E-02 RMM: 7 -0.375130607801E+03 -0.92922E-04 -0.10543E-04 3765 0.267E-02 0.141E-01 RMM: 8 -0.375130495544E+03 0.11226E-03 -0.56642E-05 3373 0.224E-02 0.471E-02 RMM: 9 -0.375130485046E+03 0.10497E-04 -0.13937E-05 2503 0.108E-02 4536 T= 6535. E= 0.68405801E+03 F= 0.62999740E+03 E0= 0.66048223E+03 EK= 0.54061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374617296235E+03 0.51320E+00 -0.33517E-01 8424 0.230E+01 0.353E-01 RMM: 2 -0.374647762157E+03 -0.30466E-01 -0.16389E-01 5589 0.782E-01 0.160E+00 RMM: 3 -0.374629615139E+03 0.18147E-01 -0.13026E-02 5369 0.256E-01 0.332E-01 RMM: 4 -0.374629080219E+03 0.53492E-03 -0.18544E-03 4771 0.920E-02 0.212E-01 RMM: 5 -0.374628989468E+03 0.90751E-04 -0.38073E-04 4213 0.482E-02 0.199E-01 RMM: 6 -0.374628748683E+03 0.24079E-03 -0.15617E-04 3879 0.338E-02 0.577E-02 RMM: 7 -0.374628821072E+03 -0.72389E-04 -0.94262E-05 3686 0.252E-02 0.122E-01 RMM: 8 -0.374628731761E+03 0.89310E-04 -0.49007E-05 3242 0.212E-02 0.381E-02 RMM: 9 -0.374628724476E+03 0.72853E-05 -0.11478E-05 2475 0.980E-03 4537 T= 6387. E= 0.68356970E+03 F= 0.63073164E+03 E0= 0.66122386E+03 EK= 0.52838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374029606458E+03 0.59913E+00 -0.33400E-01 8700 0.227E+01 0.273E-01 RMM: 2 -0.374053055115E+03 -0.23449E-01 -0.16958E-01 5550 0.808E-01 0.111E+00 RMM: 3 -0.374043164908E+03 0.98902E-02 -0.10800E-02 5424 0.226E-01 0.233E-01 RMM: 4 -0.374043096900E+03 0.68008E-04 -0.13401E-03 4732 0.811E-02 0.244E-01 RMM: 5 -0.374042814482E+03 0.28242E-03 -0.43112E-04 4492 0.549E-02 0.153E-01 RMM: 6 -0.374042703355E+03 0.11113E-03 -0.15473E-04 3880 0.321E-02 0.851E-02 RMM: 7 -0.374042761562E+03 -0.58207E-04 -0.97081E-05 3767 0.268E-02 0.125E-01 RMM: 8 -0.374042662800E+03 0.98762E-04 -0.46687E-05 3225 0.208E-02 0.317E-02 RMM: 9 -0.374042664385E+03 -0.15850E-05 -0.12566E-05 2483 0.984E-03 4538 T= 6249. E= 0.68324602E+03 F= 0.63154623E+03 E0= 0.66203641E+03 EK= 0.51700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373428050149E+03 0.61461E+00 -0.30479E-01 8712 0.226E+01 0.265E-01 RMM: 2 -0.373450275430E+03 -0.22225E-01 -0.15964E-01 5437 0.798E-01 0.111E+00 RMM: 3 -0.373440618824E+03 0.96566E-02 -0.10323E-02 5471 0.217E-01 0.200E-01 RMM: 4 -0.373440621191E+03 -0.23673E-05 -0.11713E-03 4685 0.763E-02 0.237E-01 RMM: 5 -0.373440348961E+03 0.27223E-03 -0.33571E-04 4191 0.473E-02 0.147E-01 RMM: 6 -0.373440248416E+03 0.10054E-03 -0.15677E-04 3878 0.333E-02 0.811E-02 RMM: 7 -0.373440317533E+03 -0.69118E-04 -0.90034E-05 3713 0.254E-02 0.131E-01 RMM: 8 -0.373440210562E+03 0.10697E-03 -0.49251E-05 3260 0.213E-02 0.262E-02 RMM: 9 -0.373440214120E+03 -0.35578E-05 -0.12190E-05 2476 0.983E-03 4539 T= 6175. E= 0.68345544E+03 F= 0.63237248E+03 E0= 0.66285258E+03 EK= 0.51083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372871515471E+03 0.56870E+00 -0.27036E-01 8616 0.226E+01 0.232E-01 RMM: 2 -0.372889599747E+03 -0.18084E-01 -0.14578E-01 5604 0.759E-01 0.854E-01 RMM: 3 -0.372883353206E+03 0.62465E-02 -0.88750E-03 5425 0.204E-01 0.200E-01 RMM: 4 -0.372883358619E+03 -0.54138E-05 -0.10705E-03 4680 0.744E-02 0.230E-01 RMM: 5 -0.372883068983E+03 0.28964E-03 -0.33687E-04 4165 0.484E-02 0.124E-01 RMM: 6 -0.372883010598E+03 0.58386E-04 -0.11657E-04 3858 0.288E-02 0.853E-02 RMM: 7 -0.372883039954E+03 -0.29356E-04 -0.78649E-05 3590 0.239E-02 0.110E-01 RMM: 8 -0.372882966701E+03 0.73253E-04 -0.40069E-05 3123 0.198E-02 0.280E-02 RMM: 9 -0.372882968477E+03 -0.17758E-05 -0.10615E-05 2467 0.906E-03 4540 T= 6194. E= 0.68439135E+03 F= 0.63314747E+03 E0= 0.66361120E+03 EK= 0.51244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372408636361E+03 0.47433E+00 -0.23615E-01 8604 0.227E+01 0.240E-01 RMM: 2 -0.372424830559E+03 -0.16194E-01 -0.12995E-01 5549 0.731E-01 0.857E-01 RMM: 3 -0.372418886510E+03 0.59440E-02 -0.79944E-03 5466 0.191E-01 0.173E-01 RMM: 4 -0.372419053833E+03 -0.16732E-03 -0.94269E-04 4643 0.705E-02 0.261E-01 RMM: 5 -0.372418652443E+03 0.40139E-03 -0.28679E-04 4029 0.433E-02 0.113E-01 RMM: 6 -0.372418613542E+03 0.38900E-04 -0.11983E-04 3869 0.294E-02 0.864E-02 RMM: 7 -0.372418654234E+03 -0.40691E-04 -0.71308E-05 3528 0.226E-02 0.119E-01 RMM: 8 -0.372418566334E+03 0.87899E-04 -0.40932E-05 3124 0.198E-02 0.232E-02 RMM: 9 -0.372418570978E+03 -0.46442E-05 -0.11361E-05 2469 0.940E-03 4541 T= 6309. E= 0.68601517E+03 F= 0.63382224E+03 E0= 0.66426451E+03 EK= 0.52193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372061571084E+03 0.35700E+00 -0.21003E-01 8616 0.231E+01 0.244E-01 RMM: 2 -0.372076737355E+03 -0.15166E-01 -0.11626E-01 5441 0.706E-01 0.872E-01 RMM: 3 -0.372070707908E+03 0.60294E-02 -0.82332E-03 5401 0.198E-01 0.213E-01 RMM: 4 -0.372070708345E+03 -0.43663E-06 -0.10801E-03 4690 0.755E-02 0.234E-01 RMM: 5 -0.372070396436E+03 0.31191E-03 -0.28603E-04 3957 0.433E-02 0.120E-01 RMM: 6 -0.372070325227E+03 0.71210E-04 -0.83676E-05 3611 0.257E-02 0.660E-02 RMM: 7 -0.372070371293E+03 -0.46067E-04 -0.72935E-05 3572 0.224E-02 0.108E-01 RMM: 8 -0.372070298329E+03 0.72964E-04 -0.37350E-05 3041 0.193E-02 0.264E-02 RMM: 9 -0.372070299886E+03 -0.15571E-05 -0.11756E-05 2470 0.964E-03 4542 T= 6488. E= 0.68804282E+03 F= 0.63437275E+03 E0= 0.66479000E+03 EK= 0.53670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371820309125E+03 0.24999E+00 -0.19442E-01 8688 0.235E+01 0.246E-01 RMM: 2 -0.371834167164E+03 -0.13858E-01 -0.10733E-01 5300 0.696E-01 0.864E-01 RMM: 3 -0.371828502457E+03 0.56647E-02 -0.78088E-03 5439 0.190E-01 0.177E-01 RMM: 4 -0.371828744543E+03 -0.24209E-03 -0.10040E-03 4667 0.742E-02 0.281E-01 RMM: 5 -0.371828265412E+03 0.47913E-03 -0.28923E-04 3980 0.430E-02 0.111E-01 RMM: 6 -0.371828207925E+03 0.57487E-04 -0.88599E-05 3666 0.259E-02 0.676E-02 RMM: 7 -0.371828248752E+03 -0.40828E-04 -0.74499E-05 3603 0.226E-02 0.108E-01 RMM: 8 -0.371828176697E+03 0.72055E-04 -0.42832E-05 3139 0.199E-02 0.281E-02 RMM: 9 -0.371828178808E+03 -0.21110E-05 -0.13228E-05 2478 0.104E-02 4543 T= 6669. E= 0.68998273E+03 F= 0.63480912E+03 E0= 0.66519903E+03 EK= 0.55174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371639608244E+03 0.18857E+00 -0.18349E-01 8484 0.239E+01 0.247E-01 RMM: 2 -0.371653048253E+03 -0.13440E-01 -0.98483E-02 5181 0.679E-01 0.891E-01 RMM: 3 -0.371647035502E+03 0.60128E-02 -0.78998E-03 5394 0.196E-01 0.192E-01 RMM: 4 -0.371647296453E+03 -0.26095E-03 -0.11047E-03 4706 0.774E-02 0.291E-01 RMM: 5 -0.371646782578E+03 0.51388E-03 -0.32043E-04 4065 0.459E-02 0.110E-01 RMM: 6 -0.371646716981E+03 0.65597E-04 -0.73029E-05 3519 0.236E-02 0.566E-02 RMM: 7 -0.371646743931E+03 -0.26950E-04 -0.64331E-05 3496 0.207E-02 0.922E-02 RMM: 8 -0.371646691246E+03 0.52685E-04 -0.34427E-05 2946 0.183E-02 0.223E-02 RMM: 9 -0.371646701389E+03 -0.10143E-04 -0.13269E-05 2483 0.103E-02 4544 T= 6781. E= 0.69127777E+03 F= 0.63517790E+03 E0= 0.66554019E+03 EK= 0.56100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371446035582E+03 0.20066E+00 -0.18392E-01 8280 0.241E+01 0.243E-01 RMM: 2 -0.371456844748E+03 -0.10809E-01 -0.93603E-02 4984 0.688E-01 0.704E-01 RMM: 3 -0.371453172224E+03 0.36725E-02 -0.82944E-03 5446 0.196E-01 0.206E-01 RMM: 4 -0.371453380541E+03 -0.20832E-03 -0.10153E-03 4687 0.757E-02 0.286E-01 RMM: 5 -0.371452858146E+03 0.52239E-03 -0.30281E-04 4041 0.444E-02 0.987E-02 RMM: 6 -0.371452810418E+03 0.47728E-04 -0.67855E-05 3457 0.232E-02 0.587E-02 RMM: 7 -0.371452832786E+03 -0.22367E-04 -0.54710E-05 3278 0.196E-02 0.905E-02 RMM: 8 -0.371452781893E+03 0.50892E-04 -0.36382E-05 2933 0.187E-02 0.237E-02 RMM: 9 -0.371452790575E+03 -0.86816E-05 -0.15559E-05 2480 0.112E-02 4545 T= 6769. E= 0.69155572E+03 F= 0.63555379E+03 E0= 0.66588990E+03 EK= 0.56002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371163420960E+03 0.28936E+00 -0.18376E-01 8100 0.241E+01 0.240E-01 RMM: 2 -0.371173867427E+03 -0.10446E-01 -0.86725E-02 4978 0.661E-01 0.736E-01 RMM: 3 -0.371169812436E+03 0.40550E-02 -0.78194E-03 5445 0.192E-01 0.189E-01 RMM: 4 -0.371170072019E+03 -0.25958E-03 -0.96193E-04 4671 0.730E-02 0.286E-01 RMM: 5 -0.371169536166E+03 0.53585E-03 -0.29544E-04 4056 0.445E-02 0.881E-02 RMM: 6 -0.371169503351E+03 0.32815E-04 -0.61251E-05 3380 0.220E-02 0.617E-02 RMM: 7 -0.371169518114E+03 -0.14763E-04 -0.50866E-05 3200 0.194E-02 4546 T= 6628. E= 0.69085077E+03 F= 0.63601545E+03 E0= 0.66632858E+03 EK= 0.54835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370732896644E+03 0.43661E+00 -0.17798E-01 7944 0.239E+01 0.228E-01 RMM: 2 -0.370741570010E+03 -0.86734E-02 -0.80750E-02 5027 0.639E-01 0.592E-01 RMM: 3 -0.370738876886E+03 0.26931E-02 -0.71026E-03 5505 0.180E-01 0.199E-01 RMM: 4 -0.370739094458E+03 -0.21757E-03 -0.80498E-04 4647 0.669E-02 0.282E-01 RMM: 5 -0.370738561829E+03 0.53263E-03 -0.27735E-04 4015 0.425E-02 0.684E-02 RMM: 6 -0.370738582371E+03 -0.20542E-04 -0.67852E-05 3450 0.228E-02 0.934E-02 RMM: 7 -0.370738555911E+03 0.26460E-04 -0.48553E-05 3115 0.191E-02 0.743E-02 RMM: 8 -0.370738524515E+03 0.31396E-04 -0.31007E-05 2821 0.171E-02 0.250E-02 RMM: 9 -0.370738535753E+03 -0.11238E-04 -0.13713E-05 2482 0.108E-02 4547 T= 6406. E= 0.68961720E+03 F= 0.63662239E+03 E0= 0.66691855E+03 EK= 0.52995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370124639046E+03 0.61389E+00 -0.17486E-01 7848 0.236E+01 0.219E-01 RMM: 2 -0.370133581405E+03 -0.89424E-02 -0.76164E-02 5024 0.620E-01 0.681E-01 RMM: 3 -0.370130168138E+03 0.34133E-02 -0.66100E-03 5540 0.171E-01 0.162E-01 RMM: 4 -0.370130375095E+03 -0.20696E-03 -0.74240E-04 4631 0.650E-02 0.258E-01 RMM: 5 -0.370129954730E+03 0.42036E-03 -0.23314E-04 3901 0.398E-02 0.952E-02 RMM: 6 -0.370129911264E+03 0.43466E-04 -0.72963E-05 3496 0.241E-02 0.590E-02 RMM: 7 -0.370129934080E+03 -0.22816E-04 -0.44332E-05 3100 0.187E-02 0.877E-02 RMM: 8 -0.370129885894E+03 0.48186E-04 -0.29448E-05 2725 0.172E-02 0.191E-02 RMM: 9 -0.370129891576E+03 -0.56819E-05 -0.10909E-05 2454 0.917E-03 4548 T= 6178. E= 0.68851660E+03 F= 0.63740487E+03 E0= 0.66768939E+03 EK= 0.51112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369338798129E+03 0.79109E+00 -0.17421E-01 7788 0.234E+01 0.200E-01 RMM: 2 -0.369346082331E+03 -0.72842E-02 -0.68221E-02 5238 0.582E-01 0.552E-01 RMM: 3 -0.369343738543E+03 0.23438E-02 -0.51334E-03 5675 0.144E-01 0.149E-01 RMM: 4 -0.369343885767E+03 -0.14722E-03 -0.59377E-04 4627 0.592E-02 0.236E-01 RMM: 5 -0.369343509635E+03 0.37613E-03 -0.20979E-04 3890 0.368E-02 0.721E-02 RMM: 6 -0.369343524394E+03 -0.14759E-04 -0.81422E-05 3600 0.246E-02 4549 T= 6018. E= 0.68815122E+03 F= 0.63836218E+03 E0= 0.66864113E+03 EK= 0.49789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368394593656E+03 0.94892E+00 -0.17273E-01 7632 0.232E+01 0.306E-01 RMM: 2 -0.368415886895E+03 -0.21293E-01 -0.73963E-02 5286 0.632E-01 0.158E+00 RMM: 3 -0.368399487188E+03 0.16400E-01 -0.90136E-03 5356 0.224E-01 0.276E-01 RMM: 4 -0.368399122196E+03 0.36499E-03 -0.12608E-03 4634 0.772E-02 0.164E-01 RMM: 5 -0.368399068473E+03 0.53723E-04 -0.25096E-04 3898 0.384E-02 0.165E-01 RMM: 6 -0.368398911982E+03 0.15649E-03 -0.13547E-04 3879 0.327E-02 0.685E-02 RMM: 7 -0.368398974999E+03 -0.63018E-04 -0.92660E-05 3735 0.257E-02 0.120E-01 RMM: 8 -0.368398892723E+03 0.82276E-04 -0.45430E-05 3188 0.208E-02 0.422E-02 RMM: 9 -0.368398885407E+03 0.73154E-05 -0.13991E-05 2497 0.110E-02 4550 T= 5975. E= 0.68890617E+03 F= 0.63947333E+03 E0= 0.66975349E+03 EK= 0.49433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367325397371E+03 0.10735E+01 -0.17184E-01 7416 0.233E+01 0.263E-01 RMM: 2 -0.367344120666E+03 -0.18723E-01 -0.68153E-02 5323 0.592E-01 0.143E+00 RMM: 3 -0.367330110504E+03 0.14010E-01 -0.75679E-03 5372 0.202E-01 0.239E-01 RMM: 4 -0.367329883356E+03 0.22715E-03 -0.11534E-03 4618 0.751E-02 0.177E-01 RMM: 5 -0.367329776670E+03 0.10669E-03 -0.22276E-04 3881 0.386E-02 0.144E-01 RMM: 6 -0.367329645080E+03 0.13159E-03 -0.80708E-05 3574 0.262E-02 0.431E-02 RMM: 7 -0.367329687573E+03 -0.42493E-04 -0.50786E-05 3218 0.197E-02 0.946E-02 RMM: 8 -0.367329631003E+03 0.56570E-04 -0.29633E-05 2770 0.177E-02 0.221E-02 RMM: 9 -0.367329631107E+03 -0.10371E-06 -0.88147E-06 2445 0.824E-03 4551 T= 6067. E= 0.69089479E+03 F= 0.64070292E+03 E0= 0.67098966E+03 EK= 0.50192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366174147263E+03 0.11555E+01 -0.17887E-01 7740 0.235E+01 0.270E-01 RMM: 2 -0.366191451237E+03 -0.17304E-01 -0.80468E-02 5177 0.662E-01 0.132E+00 RMM: 3 -0.366179865062E+03 0.11586E-01 -0.86307E-03 5387 0.210E-01 0.213E-01 RMM: 4 -0.366179732915E+03 0.13215E-03 -0.10606E-03 4637 0.713E-02 0.176E-01 RMM: 5 -0.366179606224E+03 0.12669E-03 -0.19128E-04 3883 0.333E-02 0.138E-01 RMM: 6 -0.366179491793E+03 0.11443E-03 -0.85379E-05 3602 0.260E-02 0.521E-02 RMM: 7 -0.366179532088E+03 -0.40295E-04 -0.66001E-05 3480 0.225E-02 0.974E-02 RMM: 8 -0.366179472033E+03 0.60054E-04 -0.33504E-05 2956 0.185E-02 0.254E-02 RMM: 9 -0.366179472700E+03 -0.66673E-06 -0.10763E-05 2457 0.931E-03 4552 T= 6278. E= 0.69393929E+03 F= 0.64200586E+03 E0= 0.67230467E+03 EK= 0.51933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364999682801E+03 0.11798E+01 -0.17917E-01 7788 0.239E+01 0.219E-01 RMM: 2 -0.365008750878E+03 -0.90681E-02 -0.70062E-02 5280 0.619E-01 0.771E-01 RMM: 3 -0.365004801343E+03 0.39495E-02 -0.63883E-03 5529 0.168E-01 0.138E-01 RMM: 4 -0.365004906494E+03 -0.10515E-03 -0.67902E-04 4610 0.595E-02 0.213E-01 RMM: 5 -0.365004629846E+03 0.27665E-03 -0.16834E-04 3884 0.327E-02 0.931E-02 RMM: 6 -0.365004586321E+03 0.43525E-04 -0.58806E-05 3367 0.219E-02 0.518E-02 RMM: 7 -0.365004607158E+03 -0.20837E-04 -0.41840E-05 3015 0.187E-02 0.818E-02 RMM: 8 -0.365004567075E+03 0.40083E-04 -0.24055E-05 2585 0.157E-02 0.228E-02 RMM: 9 -0.365004569222E+03 -0.21469E-05 -0.94363E-06 2443 0.842E-03 4553 T= 6554. E= 0.69754573E+03 F= 0.64332545E+03 E0= 0.67364019E+03 EK= 0.54220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363868326008E+03 0.11362E+01 -0.18953E-01 7812 0.242E+01 0.230E-01 RMM: 2 -0.363880423558E+03 -0.12098E-01 -0.78705E-02 5216 0.666E-01 0.972E-01 RMM: 3 -0.363874231565E+03 0.61920E-02 -0.73040E-03 5562 0.177E-01 0.168E-01 RMM: 4 -0.363874219894E+03 0.11671E-04 -0.81544E-04 4622 0.672E-02 0.195E-01 RMM: 5 -0.363874016873E+03 0.20302E-03 -0.17615E-04 3881 0.333E-02 0.112E-01 RMM: 6 -0.363873943246E+03 0.73627E-04 -0.59950E-05 3378 0.224E-02 0.470E-02 RMM: 7 -0.363873967824E+03 -0.24578E-04 -0.48339E-05 3192 0.196E-02 0.812E-02 RMM: 8 -0.363873927394E+03 0.40430E-04 -0.27702E-05 2748 0.165E-02 0.254E-02 RMM: 9 -0.363873927438E+03 -0.43845E-07 -0.93011E-06 2445 0.852E-03 4554 T= 6811. E= 0.70094195E+03 F= 0.64459320E+03 E0= 0.67492634E+03 EK= 0.56349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362859419513E+03 0.10145E+01 -0.18969E-01 7668 0.245E+01 0.223E-01 RMM: 2 -0.362869623923E+03 -0.10204E-01 -0.75555E-02 5242 0.656E-01 0.836E-01 RMM: 3 -0.362865036716E+03 0.45872E-02 -0.70072E-03 5539 0.175E-01 0.129E-01 RMM: 4 -0.362865145145E+03 -0.10843E-03 -0.68036E-04 4608 0.603E-02 0.214E-01 RMM: 5 -0.362864886531E+03 0.25861E-03 -0.16525E-04 3879 0.334E-02 0.101E-01 RMM: 6 -0.362864825747E+03 0.60784E-04 -0.61579E-05 3379 0.225E-02 0.439E-02 RMM: 7 -0.362864844353E+03 -0.18606E-04 -0.44545E-05 3069 0.191E-02 4555 T= 6957. E= 0.70328627E+03 F= 0.64573322E+03 E0= 0.67608522E+03 EK= 0.57553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362043940610E+03 0.82089E+00 -0.18690E-01 7704 0.244E+01 0.208E-01 RMM: 2 -0.362055009023E+03 -0.11068E-01 -0.80640E-02 5146 0.673E-01 0.827E-01 RMM: 3 -0.362050361017E+03 0.46480E-02 -0.75389E-03 5525 0.177E-01 0.177E-01 RMM: 4 -0.362050297309E+03 0.63707E-04 -0.72111E-04 4626 0.638E-02 0.177E-01 RMM: 5 -0.362050112002E+03 0.18531E-03 -0.15404E-04 3883 0.309E-02 0.930E-02 RMM: 6 -0.362050074883E+03 0.37119E-04 -0.52578E-05 3257 0.211E-02 0.586E-02 RMM: 7 -0.362050106193E+03 -0.31310E-04 -0.59374E-05 3435 0.207E-02 0.935E-02 RMM: 8 -0.362050053900E+03 0.52293E-04 -0.35596E-05 2977 0.184E-02 0.289E-02 RMM: 9 -0.362050052362E+03 0.15384E-05 -0.10088E-05 2447 0.895E-03 4556 T= 6934. E= 0.70404076E+03 F= 0.64667465E+03 E0= 0.67704332E+03 EK= 0.57366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361477324215E+03 0.57273E+00 -0.18341E-01 7848 0.241E+01 0.202E-01 RMM: 2 -0.361487973436E+03 -0.10649E-01 -0.82224E-02 5032 0.679E-01 0.790E-01 RMM: 3 -0.361483801306E+03 0.41721E-02 -0.78925E-03 5510 0.186E-01 0.153E-01 RMM: 4 -0.361483806302E+03 -0.49962E-05 -0.66564E-04 4629 0.602E-02 0.181E-01 RMM: 5 -0.361483630928E+03 0.17537E-03 -0.15571E-04 3873 0.323E-02 0.106E-01 RMM: 6 -0.361483565078E+03 0.65850E-04 -0.67737E-05 3427 0.239E-02 0.413E-02 RMM: 7 -0.361483594964E+03 -0.29886E-04 -0.34814E-05 2846 0.172E-02 0.823E-02 RMM: 8 -0.361483553988E+03 0.40976E-04 -0.25050E-05 2564 0.158E-02 0.248E-02 RMM: 9 -0.361483552187E+03 0.18006E-05 -0.81986E-06 2438 0.807E-03 4557 T= 6757. E= 0.70326346E+03 F= 0.64736533E+03 E0= 0.67774788E+03 EK= 0.55898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361181903034E+03 0.30165E+00 -0.17414E-01 7848 0.236E+01 0.181E-01 RMM: 2 -0.361191264372E+03 -0.93613E-02 -0.77869E-02 4993 0.654E-01 0.662E-01 RMM: 3 -0.361188205628E+03 0.30587E-02 -0.74117E-03 5697 0.173E-01 0.147E-01 RMM: 4 -0.361188168512E+03 0.37117E-04 -0.56634E-04 4617 0.585E-02 0.168E-01 RMM: 5 -0.361187988924E+03 0.17959E-03 -0.14209E-04 3883 0.323E-02 0.727E-02 RMM: 6 -0.361187982676E+03 0.62484E-05 -0.52822E-05 3266 0.210E-02 4558 T= 6500. E= 0.70155592E+03 F= 0.64778396E+03 E0= 0.67817663E+03 EK= 0.53772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361145925838E+03 0.42063E-01 -0.16671E-01 7644 0.231E+01 0.282E-01 RMM: 2 -0.361166384703E+03 -0.20459E-01 -0.85946E-02 4985 0.684E-01 0.145E+00 RMM: 3 -0.361152464456E+03 0.13920E-01 -0.11036E-02 5353 0.247E-01 0.280E-01 RMM: 4 -0.361152022877E+03 0.44158E-03 -0.11978E-03 4694 0.719E-02 0.128E-01 RMM: 5 -0.361152027214E+03 -0.43366E-05 -0.22658E-04 3906 0.386E-02 0.150E-01 RMM: 6 -0.361151900015E+03 0.12720E-03 -0.11630E-04 3858 0.306E-02 0.666E-02 RMM: 7 -0.361151947950E+03 -0.47935E-04 -0.73935E-05 3575 0.239E-02 0.107E-01 RMM: 8 -0.361151893272E+03 0.54678E-04 -0.41330E-05 3071 0.195E-02 0.562E-02 RMM: 9 -0.361151876458E+03 0.16814E-04 -0.18584E-05 2524 0.132E-02 4559 T= 6258. E= 0.69971678E+03 F= 0.64794253E+03 E0= 0.67834189E+03 EK= 0.51774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361329102392E+03 -0.17721E+00 -0.15874E-01 7788 0.228E+01 0.297E-01 RMM: 2 -0.361354482273E+03 -0.25380E-01 -0.81543E-02 4925 0.668E-01 0.170E+00 RMM: 3 -0.361335227421E+03 0.19255E-01 -0.11202E-02 5358 0.250E-01 0.291E-01 RMM: 4 -0.361334729676E+03 0.49774E-03 -0.14693E-03 4762 0.829E-02 0.142E-01 RMM: 5 -0.361334772588E+03 -0.42912E-04 -0.25132E-04 3913 0.406E-02 0.170E-01 RMM: 6 -0.361334583746E+03 0.18884E-03 -0.98522E-05 3713 0.289E-02 0.396E-02 RMM: 7 -0.361334591525E+03 -0.77794E-05 -0.26487E-05 2662 0.151E-02 4560 T= 6107. E= 0.69840533E+03 F= 0.64788137E+03 E0= 0.67828381E+03 EK= 0.50524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361665311699E+03 -0.33073E+00 -0.15708E-01 7896 0.226E+01 0.232E-01 RMM: 2 -0.361679834826E+03 -0.14523E-01 -0.87297E-02 5032 0.667E-01 0.106E+00 RMM: 3 -0.361672158551E+03 0.76763E-02 -0.90918E-03 5426 0.208E-01 0.204E-01 RMM: 4 -0.361672012541E+03 0.14601E-03 -0.92909E-04 4648 0.662E-02 0.158E-01 RMM: 5 -0.361671918012E+03 0.94530E-04 -0.17242E-04 3887 0.327E-02 0.119E-01 RMM: 6 -0.361671835356E+03 0.82656E-04 -0.65974E-05 3426 0.232E-02 0.527E-02 RMM: 7 -0.361671888909E+03 -0.53554E-04 -0.74161E-05 3621 0.233E-02 0.105E-01 RMM: 8 -0.361671825243E+03 0.63666E-04 -0.37336E-05 3018 0.188E-02 0.374E-02 RMM: 9 -0.361671818705E+03 0.65385E-05 -0.11262E-05 2463 0.963E-03 4561 T= 6083. E= 0.69798678E+03 F= 0.64766384E+03 E0= 0.67806549E+03 EK= 0.50323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362075475695E+03 -0.40365E+00 -0.15537E-01 8292 0.227E+01 0.222E-01 RMM: 2 -0.362089408926E+03 -0.13933E-01 -0.90431E-02 5029 0.675E-01 0.100E+00 RMM: 3 -0.362082640754E+03 0.67682E-02 -0.92440E-03 5563 0.197E-01 0.168E-01 RMM: 4 -0.362082674955E+03 -0.34200E-04 -0.89868E-04 4655 0.684E-02 0.215E-01 RMM: 5 -0.362082429468E+03 0.24549E-03 -0.19712E-04 3891 0.356E-02 0.108E-01 RMM: 6 -0.362082355066E+03 0.74402E-04 -0.52044E-05 3243 0.213E-02 0.354E-02 RMM: 7 -0.362082372327E+03 -0.17261E-04 -0.33888E-05 2800 0.167E-02 4562 T= 6182. E= 0.69851258E+03 F= 0.64736997E+03 E0= 0.67776833E+03 EK= 0.51143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362463109818E+03 -0.38075E+00 -0.16356E-01 8448 0.230E+01 0.218E-01 RMM: 2 -0.362476306873E+03 -0.13197E-01 -0.10394E-01 5064 0.716E-01 0.817E-01 RMM: 3 -0.362471479612E+03 0.48273E-02 -0.10191E-02 5647 0.203E-01 0.162E-01 RMM: 4 -0.362471489655E+03 -0.10043E-04 -0.82351E-04 4673 0.642E-02 0.206E-01 RMM: 5 -0.362471236326E+03 0.25333E-03 -0.17262E-04 3885 0.325E-02 0.890E-02 RMM: 6 -0.362471196076E+03 0.40251E-04 -0.45338E-05 3145 0.193E-02 0.488E-02 RMM: 7 -0.362471226094E+03 -0.30019E-04 -0.51946E-05 3278 0.196E-02 0.865E-02 RMM: 8 -0.362471182054E+03 0.44041E-04 -0.31715E-05 2761 0.170E-02 0.249E-02 RMM: 9 -0.362471184838E+03 -0.27839E-05 -0.11721E-05 2456 0.985E-03 4563 T= 6364. E= 0.69974455E+03 F= 0.64709392E+03 E0= 0.67748783E+03 EK= 0.52651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362728859119E+03 -0.25768E+00 -0.17043E-01 8652 0.234E+01 0.218E-01 RMM: 2 -0.362741887660E+03 -0.13029E-01 -0.10346E-01 5159 0.696E-01 0.818E-01 RMM: 3 -0.362736892748E+03 0.49949E-02 -0.86053E-03 5630 0.190E-01 0.177E-01 RMM: 4 -0.362736957457E+03 -0.64709E-04 -0.90368E-04 4660 0.692E-02 0.230E-01 RMM: 5 -0.362736645970E+03 0.31149E-03 -0.21854E-04 3898 0.374E-02 0.100E-01 RMM: 6 -0.362736583693E+03 0.62277E-04 -0.49438E-05 3213 0.207E-02 0.363E-02 RMM: 7 -0.362736593960E+03 -0.10267E-04 -0.30548E-05 2635 0.155E-02 4564 T= 6560. E= 0.70120633E+03 F= 0.64693697E+03 E0= 0.67732638E+03 EK= 0.54269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362776422835E+03 -0.39839E-01 -0.17985E-01 8964 0.238E+01 0.206E-01 RMM: 2 -0.362788016902E+03 -0.11594E-01 -0.10388E-01 5296 0.687E-01 0.652E-01 RMM: 3 -0.362784280906E+03 0.37360E-02 -0.76485E-03 5820 0.179E-01 0.129E-01 RMM: 4 -0.362784422561E+03 -0.14165E-03 -0.64805E-04 4672 0.556E-02 0.225E-01 RMM: 5 -0.362784085528E+03 0.33703E-03 -0.15778E-04 3882 0.315E-02 0.587E-02 RMM: 6 -0.362784087732E+03 -0.22039E-05 -0.47973E-05 3212 0.193E-02 4565 T= 6689. E= 0.70233003E+03 F= 0.64699382E+03 E0= 0.67738074E+03 EK= 0.55336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362540936318E+03 0.24315E+00 -0.19232E-01 8904 0.240E+01 0.292E-01 RMM: 2 -0.362569284431E+03 -0.28348E-01 -0.11880E-01 5151 0.741E-01 0.168E+00 RMM: 3 -0.362549793282E+03 0.19491E-01 -0.12042E-02 5379 0.248E-01 0.230E-01 RMM: 4 -0.362549576678E+03 0.21660E-03 -0.14304E-03 4744 0.785E-02 0.173E-01 RMM: 5 -0.362549442296E+03 0.13438E-03 -0.21286E-04 3891 0.353E-02 0.116E-01 RMM: 6 -0.362549362710E+03 0.79585E-04 -0.56473E-05 3292 0.219E-02 0.468E-02 RMM: 7 -0.362549391630E+03 -0.28920E-04 -0.44007E-05 3057 0.184E-02 0.844E-02 RMM: 8 -0.362549357867E+03 0.33763E-04 -0.46877E-05 3056 0.193E-02 0.409E-02 RMM: 9 -0.362549350952E+03 0.69155E-05 -0.16214E-05 2487 0.119E-02 4566 T= 6694. E= 0.70270562E+03 F= 0.64732942E+03 E0= 0.67771739E+03 EK= 0.55376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362010073333E+03 0.53928E+00 -0.19873E-01 8916 0.240E+01 0.271E-01 RMM: 2 -0.362037331330E+03 -0.27258E-01 -0.12114E-01 5187 0.738E-01 0.161E+00 RMM: 3 -0.362019126357E+03 0.18205E-01 -0.11741E-02 5373 0.248E-01 0.259E-01 RMM: 4 -0.362018764026E+03 0.36233E-03 -0.14198E-03 4780 0.785E-02 0.139E-01 RMM: 5 -0.362018700551E+03 0.63475E-04 -0.18825E-04 3919 0.323E-02 0.128E-01 RMM: 6 -0.362018601621E+03 0.98930E-04 -0.61489E-05 3346 0.227E-02 0.446E-02 RMM: 7 -0.362018633824E+03 -0.32203E-04 -0.47708E-05 3144 0.193E-02 0.878E-02 RMM: 8 -0.362018586558E+03 0.47266E-04 -0.42356E-05 2832 0.179E-02 0.311E-02 RMM: 9 -0.362018582527E+03 0.40308E-05 -0.12688E-05 2458 0.101E-02 4567 T= 6570. E= 0.70231111E+03 F= 0.64795830E+03 E0= 0.67835083E+03 EK= 0.54353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361229492075E+03 0.78909E+00 -0.20638E-01 8880 0.238E+01 0.221E-01 RMM: 2 -0.361250024622E+03 -0.20533E-01 -0.13778E-01 5067 0.809E-01 0.113E+00 RMM: 3 -0.361240619423E+03 0.94052E-02 -0.11837E-02 5521 0.229E-01 0.205E-01 RMM: 4 -0.361240341283E+03 0.27814E-03 -0.10023E-03 4739 0.679E-02 0.128E-01 RMM: 5 -0.361240262073E+03 0.79209E-04 -0.16758E-04 3890 0.341E-02 0.968E-02 RMM: 6 -0.361240217522E+03 0.44551E-04 -0.56830E-05 3281 0.215E-02 0.615E-02 RMM: 7 -0.361240262628E+03 -0.45106E-04 -0.75051E-05 3660 0.230E-02 0.106E-01 RMM: 8 -0.361240193742E+03 0.68885E-04 -0.44884E-05 3120 0.194E-02 0.349E-02 RMM: 9 -0.361240189939E+03 0.38035E-05 -0.14043E-05 2478 0.106E-02 4568 T= 6370. E= 0.70153067E+03 F= 0.64883254E+03 E0= 0.67923375E+03 EK= 0.52698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360306498188E+03 0.93370E+00 -0.19998E-01 8904 0.234E+01 0.229E-01 RMM: 2 -0.360325822365E+03 -0.19324E-01 -0.12665E-01 5290 0.773E-01 0.113E+00 RMM: 3 -0.360316463407E+03 0.93590E-02 -0.10323E-02 5573 0.211E-01 0.174E-01 RMM: 4 -0.360316306465E+03 0.15694E-03 -0.87914E-04 4718 0.640E-02 0.151E-01 RMM: 5 -0.360316179188E+03 0.12728E-03 -0.15840E-04 3893 0.333E-02 0.875E-02 RMM: 6 -0.360316155521E+03 0.23667E-04 -0.53638E-05 3255 0.207E-02 0.718E-02 RMM: 7 -0.360316169884E+03 -0.14363E-04 -0.70240E-05 3653 0.223E-02 4569 T= 6176. E= 0.70094409E+03 F= 0.64985020E+03 E0= 0.68026443E+03 EK= 0.51094E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359372769488E+03 0.94339E+00 -0.19474E-01 8796 0.232E+01 0.192E-01 RMM: 2 -0.359388618519E+03 -0.15849E-01 -0.12849E-01 5241 0.779E-01 0.816E-01 RMM: 3 -0.359383373749E+03 0.52448E-02 -0.10078E-02 5643 0.200E-01 0.185E-01 RMM: 4 -0.359383153428E+03 0.22032E-03 -0.71612E-04 4705 0.588E-02 0.138E-01 RMM: 5 -0.359383039170E+03 0.11426E-03 -0.14841E-04 3884 0.333E-02 0.842E-02 RMM: 6 -0.359383064732E+03 -0.25562E-04 -0.72102E-05 3514 0.226E-02 0.111E-01 RMM: 7 -0.359383056193E+03 0.85384E-05 -0.10279E-04 3881 0.264E-02 4570 T= 6067. E= 0.70106096E+03 F= 0.65087432E+03 E0= 0.68130592E+03 EK= 0.50187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358575653861E+03 0.80741E+00 -0.18443E-01 8892 0.231E+01 0.248E-01 RMM: 2 -0.358594044373E+03 -0.18391E-01 -0.10611E-01 5218 0.731E-01 0.121E+00 RMM: 3 -0.358583962040E+03 0.10082E-01 -0.10212E-02 5548 0.213E-01 0.213E-01 RMM: 4 -0.358583691048E+03 0.27099E-03 -0.93822E-04 4682 0.654E-02 0.139E-01 RMM: 5 -0.358583629137E+03 0.61911E-04 -0.16702E-04 3882 0.334E-02 0.114E-01 RMM: 6 -0.358583561564E+03 0.67572E-04 -0.67653E-05 3445 0.235E-02 0.577E-02 RMM: 7 -0.358583607202E+03 -0.45638E-04 -0.54410E-05 3276 0.201E-02 0.102E-01 RMM: 8 -0.358583548149E+03 0.59054E-04 -0.46651E-05 3128 0.207E-02 0.317E-02 RMM: 9 -0.358583550464E+03 -0.23152E-05 -0.16220E-05 2497 0.113E-02 4571 T= 6091. E= 0.70215253E+03 F= 0.65176149E+03 E0= 0.68221712E+03 EK= 0.50391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358025093808E+03 0.55845E+00 -0.17837E-01 8448 0.232E+01 0.200E-01 RMM: 2 -0.358039505187E+03 -0.14411E-01 -0.93241E-02 5187 0.666E-01 0.991E-01 RMM: 3 -0.358032459039E+03 0.70461E-02 -0.78527E-03 5494 0.184E-01 0.181E-01 RMM: 4 -0.358032323083E+03 0.13596E-03 -0.79986E-04 4655 0.625E-02 0.142E-01 RMM: 5 -0.358032226274E+03 0.96809E-04 -0.15189E-04 3874 0.311E-02 0.926E-02 RMM: 6 -0.358032176774E+03 0.49500E-04 -0.48361E-05 3181 0.206E-02 0.414E-02 RMM: 7 -0.358032200751E+03 -0.23977E-04 -0.30661E-05 2661 0.160E-02 0.764E-02 RMM: 8 -0.358032167089E+03 0.33662E-04 -0.25532E-05 2586 0.155E-02 0.267E-02 RMM: 9 -0.358032165282E+03 0.18067E-05 -0.92360E-06 2441 0.856E-03 4572 T= 6259. E= 0.70417927E+03 F= 0.65239648E+03 E0= 0.68288368E+03 EK= 0.51783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357778122500E+03 0.25404E+00 -0.18093E-01 8136 0.236E+01 0.209E-01 RMM: 2 -0.357791135362E+03 -0.13013E-01 -0.86302E-02 5145 0.653E-01 0.958E-01 RMM: 3 -0.357784734525E+03 0.64008E-02 -0.77480E-03 5540 0.182E-01 0.168E-01 RMM: 4 -0.357784653739E+03 0.80786E-04 -0.75162E-04 4643 0.612E-02 0.153E-01 RMM: 5 -0.357784540243E+03 0.11350E-03 -0.13306E-04 3850 0.273E-02 0.104E-01 RMM: 6 -0.357784476912E+03 0.63331E-04 -0.43521E-05 3124 0.195E-02 0.424E-02 RMM: 7 -0.357784499446E+03 -0.22534E-04 -0.42612E-05 3065 0.182E-02 0.773E-02 RMM: 8 -0.357784466168E+03 0.33278E-04 -0.35315E-05 2743 0.173E-02 0.314E-02 RMM: 9 -0.357784463901E+03 0.22673E-05 -0.12446E-05 2452 0.101E-02 4573 T= 6531. E= 0.70674856E+03 F= 0.65272340E+03 E0= 0.68324949E+03 EK= 0.54025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357817955011E+03 -0.33489E-01 -0.18912E-01 8556 0.241E+01 0.211E-01 RMM: 2 -0.357830483729E+03 -0.12529E-01 -0.94198E-02 5185 0.682E-01 0.848E-01 RMM: 3 -0.357825209770E+03 0.52740E-02 -0.82161E-03 5485 0.187E-01 0.189E-01 RMM: 4 -0.357825112670E+03 0.97100E-04 -0.84503E-04 4649 0.643E-02 0.172E-01 RMM: 5 -0.357824964769E+03 0.14790E-03 -0.16691E-04 3880 0.321E-02 0.106E-01 RMM: 6 -0.357824895906E+03 0.68862E-04 -0.46712E-05 3166 0.203E-02 0.400E-02 RMM: 7 -0.357824904249E+03 -0.83425E-05 -0.24580E-05 2546 0.144E-02 4574 T= 6813. E= 0.70912090E+03 F= 0.65275794E+03 E0= 0.68332895E+03 EK= 0.56363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358077135220E+03 -0.25224E+00 -0.20569E-01 8868 0.245E+01 0.224E-01 RMM: 2 -0.358091369491E+03 -0.14234E-01 -0.10766E-01 5284 0.720E-01 0.889E-01 RMM: 3 -0.358085509858E+03 0.58596E-02 -0.88259E-03 5454 0.195E-01 0.209E-01 RMM: 4 -0.358085359903E+03 0.14996E-03 -0.92781E-04 4666 0.668E-02 0.173E-01 RMM: 5 -0.358085174691E+03 0.18521E-03 -0.18217E-04 3887 0.342E-02 0.855E-02 RMM: 6 -0.358085143418E+03 0.31273E-04 -0.37612E-05 2985 0.181E-02 0.576E-02 RMM: 7 -0.358085158047E+03 -0.14629E-04 -0.42986E-05 2996 0.181E-02 4575 T= 6990. E= 0.71039822E+03 F= 0.65256913E+03 E0= 0.68318867E+03 EK= 0.57829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358474129618E+03 -0.38899E+00 -0.22034E-01 9084 0.246E+01 0.247E-01 RMM: 2 -0.358492460059E+03 -0.18330E-01 -0.12054E-01 5294 0.753E-01 0.112E+00 RMM: 3 -0.358483282276E+03 0.91778E-02 -0.10081E-02 5399 0.217E-01 0.214E-01 RMM: 4 -0.358483213706E+03 0.68570E-04 -0.11399E-03 4697 0.717E-02 0.200E-01 RMM: 5 -0.358483008904E+03 0.20480E-03 -0.20777E-04 3895 0.364E-02 0.116E-01 RMM: 6 -0.358482929833E+03 0.79072E-04 -0.68613E-05 3440 0.236E-02 0.494E-02 RMM: 7 -0.358482942091E+03 -0.12258E-04 -0.28205E-05 2612 0.154E-02 4576 T= 6977. E= 0.70995645E+03 F= 0.65224023E+03 E0= 0.68290784E+03 EK= 0.57716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358943567893E+03 -0.46064E+00 -0.21961E-01 9060 0.244E+01 0.231E-01 RMM: 2 -0.358960887471E+03 -0.17320E-01 -0.11574E-01 5384 0.723E-01 0.108E+00 RMM: 3 -0.358952354926E+03 0.85325E-02 -0.90065E-03 5410 0.204E-01 0.213E-01 RMM: 4 -0.358952167192E+03 0.18773E-03 -0.96661E-04 4727 0.651E-02 0.150E-01 RMM: 5 -0.358952043227E+03 0.12397E-03 -0.15485E-04 3889 0.309E-02 0.975E-02 RMM: 6 -0.358951997413E+03 0.45814E-04 -0.49151E-05 3194 0.201E-02 0.602E-02 RMM: 7 -0.358952028247E+03 -0.30834E-04 -0.49853E-05 3147 0.185E-02 0.976E-02 RMM: 8 -0.358951979216E+03 0.49030E-04 -0.68837E-05 3739 0.216E-02 0.405E-02 RMM: 9 -0.358951980330E+03 -0.11132E-05 -0.23447E-05 2608 0.139E-02 4577 T= 6772. E= 0.70785740E+03 F= 0.65183847E+03 E0= 0.68255164E+03 EK= 0.56019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359446437099E+03 -0.49446E+00 -0.21531E-01 9060 0.239E+01 0.202E-01 RMM: 2 -0.359461053238E+03 -0.14616E-01 -0.11523E-01 5248 0.717E-01 0.855E-01 RMM: 3 -0.359455456156E+03 0.55971E-02 -0.96645E-03 5629 0.194E-01 0.179E-01 RMM: 4 -0.359455379849E+03 0.76307E-04 -0.90769E-04 4681 0.664E-02 0.179E-01 RMM: 5 -0.359455204926E+03 0.17492E-03 -0.17965E-04 3884 0.324E-02 0.997E-02 RMM: 6 -0.359455147639E+03 0.57286E-04 -0.48867E-05 3205 0.205E-02 0.427E-02 RMM: 7 -0.359455162860E+03 -0.15221E-04 -0.29366E-05 2613 0.153E-02 4578 T= 6459. E= 0.70483372E+03 F= 0.65140160E+03 E0= 0.68215505E+03 EK= 0.53432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359968601869E+03 -0.51345E+00 -0.20535E-01 8880 0.233E+01 0.195E-01 RMM: 2 -0.359982703234E+03 -0.14101E-01 -0.11244E-01 5377 0.699E-01 0.827E-01 RMM: 3 -0.359977213894E+03 0.54893E-02 -0.84676E-03 5910 0.182E-01 0.170E-01 RMM: 4 -0.359976996766E+03 0.21713E-03 -0.62451E-04 4784 0.519E-02 0.120E-01 RMM: 5 -0.359976923218E+03 0.73548E-04 -0.10535E-04 3790 0.262E-02 0.830E-02 RMM: 6 -0.359976899455E+03 0.23764E-04 -0.48132E-05 3201 0.196E-02 0.642E-02 RMM: 7 -0.359976935268E+03 -0.35813E-04 -0.91440E-05 3871 0.241E-02 0.101E-01 RMM: 8 -0.359976874129E+03 0.61139E-04 -0.38079E-05 3026 0.179E-02 0.296E-02 RMM: 9 -0.359976872942E+03 0.11868E-05 -0.11029E-05 2462 0.923E-03 4579 T= 6155. E= 0.70186581E+03 F= 0.65094533E+03 E0= 0.68173341E+03 EK= 0.50920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360504407282E+03 -0.52753E+00 -0.19242E-01 8976 0.228E+01 0.182E-01 RMM: 2 -0.360517093565E+03 -0.12686E-01 -0.10185E-01 5424 0.653E-01 0.783E-01 RMM: 3 -0.360512116702E+03 0.49769E-02 -0.68626E-03 5784 0.165E-01 0.150E-01 RMM: 4 -0.360512055619E+03 0.61084E-04 -0.63865E-04 4618 0.557E-02 0.162E-01 RMM: 5 -0.360511890101E+03 0.16552E-03 -0.12828E-04 3835 0.286E-02 0.766E-02 RMM: 6 -0.360511860197E+03 0.29905E-04 -0.41080E-05 3080 0.190E-02 0.450E-02 RMM: 7 -0.360511880024E+03 -0.19827E-04 -0.38383E-05 2763 0.168E-02 4580 T= 5956. E= 0.69975006E+03 F= 0.65047440E+03 E0= 0.68129290E+03 EK= 0.49276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361050415090E+03 -0.53855E+00 -0.18059E-01 8988 0.225E+01 0.202E-01 RMM: 2 -0.361063346278E+03 -0.12931E-01 -0.86280E-02 5543 0.616E-01 0.938E-01 RMM: 3 -0.361056830400E+03 0.65159E-02 -0.62627E-03 5658 0.166E-01 0.190E-01 RMM: 4 -0.361056619720E+03 0.21068E-03 -0.62938E-04 4688 0.522E-02 0.111E-01 RMM: 5 -0.361056558400E+03 0.61320E-04 -0.10456E-04 3825 0.252E-02 0.885E-02 RMM: 6 -0.361056525429E+03 0.32971E-04 -0.46146E-05 3176 0.194E-02 0.613E-02 RMM: 7 -0.361056577195E+03 -0.51767E-04 -0.75038E-05 3706 0.217E-02 0.112E-01 RMM: 8 -0.361056502980E+03 0.74215E-04 -0.41928E-05 3045 0.190E-02 0.342E-02 RMM: 9 -0.361056499024E+03 0.39557E-05 -0.13255E-05 2471 0.102E-02 4581 T= 5915. E= 0.69892312E+03 F= 0.64999163E+03 E0= 0.68083795E+03 EK= 0.48931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361601179573E+03 -0.54468E+00 -0.17482E-01 9036 0.226E+01 0.196E-01 RMM: 2 -0.361613811308E+03 -0.12632E-01 -0.86147E-02 5487 0.618E-01 0.934E-01 RMM: 3 -0.361607718399E+03 0.60929E-02 -0.63738E-03 5735 0.160E-01 0.163E-01 RMM: 4 -0.361607610713E+03 0.10769E-03 -0.64311E-04 4633 0.561E-02 0.150E-01 RMM: 5 -0.361607471017E+03 0.13970E-03 -0.12036E-04 3850 0.271E-02 0.773E-02 RMM: 6 -0.361607438712E+03 0.32305E-04 -0.35601E-05 3010 0.180E-02 0.427E-02 RMM: 7 -0.361607457652E+03 -0.18940E-04 -0.30910E-05 2643 0.150E-02 4582 T= 6039. E= 0.69945719E+03 F= 0.64949935E+03 E0= 0.68037242E+03 EK= 0.49958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362149919154E+03 -0.54248E+00 -0.17182E-01 8760 0.229E+01 0.202E-01 RMM: 2 -0.362162111215E+03 -0.12192E-01 -0.81934E-02 5452 0.622E-01 0.906E-01 RMM: 3 -0.362156356677E+03 0.57545E-02 -0.68577E-03 5558 0.171E-01 0.200E-01 RMM: 4 -0.362156137491E+03 0.21919E-03 -0.65112E-04 4636 0.539E-02 0.118E-01 RMM: 5 -0.362156055243E+03 0.82247E-04 -0.99652E-05 3791 0.230E-02 0.822E-02 RMM: 6 -0.362156028756E+03 0.26488E-04 -0.36958E-05 2987 0.179E-02 0.594E-02 RMM: 7 -0.362156073623E+03 -0.44867E-04 -0.69089E-05 3577 0.206E-02 0.109E-01 RMM: 8 -0.362156003532E+03 0.70091E-04 -0.50184E-05 3197 0.202E-02 0.313E-02 RMM: 9 -0.362156000619E+03 0.29126E-05 -0.13290E-05 2468 0.106E-02 4583 T= 6295. E= 0.70107856E+03 F= 0.64900564E+03 E0= 0.67990569E+03 EK= 0.52073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362678746584E+03 -0.52274E+00 -0.17404E-01 8568 0.233E+01 0.216E-01 RMM: 2 -0.362691122611E+03 -0.12376E-01 -0.79870E-02 5354 0.628E-01 0.982E-01 RMM: 3 -0.362684877544E+03 0.62451E-02 -0.72049E-03 5697 0.171E-01 0.183E-01 RMM: 4 -0.362684724732E+03 0.15281E-03 -0.74291E-04 4620 0.611E-02 0.162E-01 RMM: 5 -0.362684582522E+03 0.14221E-03 -0.14364E-04 3878 0.298E-02 0.950E-02 RMM: 6 -0.362684526553E+03 0.55969E-04 -0.43343E-05 3139 0.200E-02 0.361E-02 RMM: 7 -0.362684538434E+03 -0.11881E-04 -0.23885E-05 2570 0.135E-02 4584 T= 6604. E= 0.70316149E+03 F= 0.64852784E+03 E0= 0.67945457E+03 EK= 0.54634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363158058017E+03 -0.47353E+00 -0.17842E-01 7968 0.238E+01 0.195E-01 RMM: 2 -0.363167841976E+03 -0.97840E-02 -0.67971E-02 5409 0.586E-01 0.825E-01 RMM: 3 -0.363163201089E+03 0.46409E-02 -0.57069E-03 5417 0.162E-01 0.190E-01 RMM: 4 -0.363163060155E+03 0.14093E-03 -0.62301E-04 4604 0.528E-02 0.133E-01 RMM: 5 -0.363162952954E+03 0.10720E-03 -0.11278E-04 3823 0.256E-02 0.844E-02 RMM: 6 -0.363162920034E+03 0.32920E-04 -0.41148E-05 3084 0.190E-02 0.523E-02 RMM: 7 -0.363162941505E+03 -0.21471E-04 -0.56073E-05 3363 0.198E-02 0.865E-02 RMM: 8 -0.363162897166E+03 0.44338E-04 -0.36882E-05 2881 0.180E-02 0.316E-02 RMM: 9 -0.363162898036E+03 -0.86962E-06 -0.14400E-05 2480 0.107E-02 4585 T= 6856. E= 0.70481722E+03 F= 0.64809633E+03 E0= 0.67904900E+03 EK= 0.56721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363544064142E+03 -0.38117E+00 -0.17711E-01 7488 0.241E+01 0.195E-01 RMM: 2 -0.363553239885E+03 -0.91757E-02 -0.65712E-02 5254 0.595E-01 0.817E-01 RMM: 3 -0.363549007271E+03 0.42326E-02 -0.57547E-03 5554 0.156E-01 0.130E-01 RMM: 4 -0.363549109355E+03 -0.10208E-03 -0.58128E-04 4589 0.555E-02 0.211E-01 RMM: 5 -0.363548826034E+03 0.28332E-03 -0.15072E-04 3867 0.317E-02 0.643E-02 RMM: 6 -0.363548803250E+03 0.22784E-04 -0.32431E-05 2910 0.171E-02 0.365E-02 RMM: 7 -0.363548804527E+03 -0.12773E-05 -0.23149E-05 2529 0.134E-02 4586 T= 6946. E= 0.70521747E+03 F= 0.64775389E+03 E0= 0.67872945E+03 EK= 0.57464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363795123590E+03 -0.24632E+00 -0.17301E-01 7260 0.241E+01 0.182E-01 RMM: 2 -0.363803130857E+03 -0.80073E-02 -0.58919E-02 5321 0.572E-01 0.745E-01 RMM: 3 -0.363799606684E+03 0.35242E-02 -0.49693E-03 5487 0.148E-01 0.155E-01 RMM: 4 -0.363799543839E+03 0.62845E-04 -0.51265E-04 4537 0.508E-02 0.149E-01 RMM: 5 -0.363799405421E+03 0.13842E-03 -0.12125E-04 3847 0.284E-02 0.778E-02 RMM: 6 -0.363799381906E+03 0.23515E-04 -0.39860E-05 3067 0.184E-02 0.563E-02 RMM: 7 -0.363799395021E+03 -0.13116E-04 -0.54801E-05 3366 0.194E-02 4587 T= 6831. E= 0.70405138E+03 F= 0.64754394E+03 E0= 0.67853806E+03 EK= 0.56507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363891077428E+03 -0.91696E-01 -0.17212E-01 7980 0.238E+01 0.194E-01 RMM: 2 -0.363900880511E+03 -0.98031E-02 -0.62416E-02 5151 0.589E-01 0.882E-01 RMM: 3 -0.363895828492E+03 0.50520E-02 -0.59747E-03 5488 0.162E-01 0.168E-01 RMM: 4 -0.363895777686E+03 0.50806E-04 -0.63582E-04 4579 0.579E-02 0.167E-01 RMM: 5 -0.363895616663E+03 0.16102E-03 -0.13443E-04 3845 0.297E-02 0.809E-02 RMM: 6 -0.363895581551E+03 0.35112E-04 -0.32157E-05 2888 0.174E-02 0.382E-02 RMM: 7 -0.363895594681E+03 -0.13130E-04 -0.25705E-05 2555 0.144E-02 4588 T= 6558. E= 0.70173839E+03 F= 0.64748593E+03 E0= 0.67849253E+03 EK= 0.54252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363849255426E+03 0.46326E-01 -0.16443E-01 7488 0.233E+01 0.175E-01 RMM: 2 -0.363857363764E+03 -0.81083E-02 -0.57630E-02 5295 0.550E-01 0.747E-01 RMM: 3 -0.363853583162E+03 0.37806E-02 -0.49145E-03 5459 0.150E-01 0.144E-01 RMM: 4 -0.363853534340E+03 0.48822E-04 -0.46395E-04 4510 0.472E-02 0.132E-01 RMM: 5 -0.363853432234E+03 0.10211E-03 -0.87450E-05 3704 0.241E-02 0.854E-02 RMM: 6 -0.363853395811E+03 0.36424E-04 -0.40569E-05 3082 0.187E-02 0.481E-02 RMM: 7 -0.363853424817E+03 -0.29006E-04 -0.55611E-05 3348 0.189E-02 0.915E-02 RMM: 8 -0.363853375653E+03 0.49163E-04 -0.35788E-05 2719 0.176E-02 0.284E-02 RMM: 9 -0.363853374963E+03 0.69011E-06 -0.13035E-05 2456 0.102E-02 4589 T= 6238. E= 0.69917063E+03 F= 0.64756394E+03 E0= 0.67857628E+03 EK= 0.51607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363710855276E+03 0.14252E+00 -0.15833E-01 7584 0.228E+01 0.181E-01 RMM: 2 -0.363719400195E+03 -0.85449E-02 -0.58279E-02 5155 0.552E-01 0.784E-01 RMM: 3 -0.363715229078E+03 0.41711E-02 -0.54272E-03 5633 0.153E-01 0.147E-01 RMM: 4 -0.363715182443E+03 0.46635E-04 -0.49139E-04 4545 0.507E-02 0.157E-01 RMM: 5 -0.363715045795E+03 0.13665E-03 -0.10648E-04 3758 0.274E-02 0.805E-02 RMM: 6 -0.363715007319E+03 0.38476E-04 -0.37094E-05 3026 0.185E-02 0.365E-02 RMM: 7 -0.363715028279E+03 -0.20960E-04 -0.30564E-05 2610 0.150E-02 0.762E-02 RMM: 8 -0.363714991923E+03 0.36356E-04 -0.30632E-05 2610 0.157E-02 0.199E-02 RMM: 9 -0.363714992285E+03 -0.36219E-06 -0.98381E-06 2437 0.887E-03 4590 T= 5984. E= 0.69724229E+03 F= 0.64773540E+03 E0= 0.67874580E+03 EK= 0.49507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363527978338E+03 0.18701E+00 -0.15699E-01 7620 0.225E+01 0.159E-01 RMM: 2 -0.363535239596E+03 -0.72613E-02 -0.58683E-02 5206 0.544E-01 0.631E-01 RMM: 3 -0.363532438528E+03 0.28011E-02 -0.51841E-03 5819 0.142E-01 0.115E-01 RMM: 4 -0.363532394637E+03 0.43890E-04 -0.37640E-04 4347 0.444E-02 0.141E-01 RMM: 5 -0.363532278132E+03 0.11651E-03 -0.87235E-05 3652 0.265E-02 0.684E-02 RMM: 6 -0.363532256527E+03 0.21606E-04 -0.31395E-05 2864 0.166E-02 0.491E-02 RMM: 7 -0.363532270322E+03 -0.13796E-04 -0.61563E-05 3471 0.208E-02 4591 T= 5875. E= 0.69654723E+03 F= 0.64794800E+03 E0= 0.67894884E+03 EK= 0.48599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363345953602E+03 0.18630E+00 -0.15780E-01 7656 0.225E+01 0.171E-01 RMM: 2 -0.363354562218E+03 -0.86086E-02 -0.59415E-02 5217 0.553E-01 0.773E-01 RMM: 3 -0.363350459378E+03 0.41028E-02 -0.54064E-03 5666 0.150E-01 0.151E-01 RMM: 4 -0.363350366552E+03 0.92827E-04 -0.48180E-04 4514 0.494E-02 0.125E-01 RMM: 5 -0.363350262604E+03 0.10395E-03 -0.82822E-05 3590 0.233E-02 0.657E-02 RMM: 6 -0.363350250073E+03 0.12531E-04 -0.31718E-05 2843 0.169E-02 4592 T= 5942. E= 0.69731511E+03 F= 0.64815622E+03 E0= 0.67913963E+03 EK= 0.49159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363194705767E+03 0.15556E+00 -0.15836E-01 7716 0.227E+01 0.288E-01 RMM: 2 -0.363216710059E+03 -0.22004E-01 -0.66581E-02 5209 0.591E-01 0.163E+00 RMM: 3 -0.363199465026E+03 0.17245E-01 -0.10081E-02 5347 0.239E-01 0.303E-01 RMM: 4 -0.363198886883E+03 0.57814E-03 -0.11282E-03 4636 0.680E-02 0.950E-02 RMM: 5 -0.363198875405E+03 0.11479E-04 -0.16308E-04 3887 0.319E-02 4593 T= 6175. E= 0.69941779E+03 F= 0.64832986E+03 E0= 0.67928790E+03 EK= 0.51088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363084087218E+03 0.11480E+00 -0.16606E-01 7704 0.232E+01 0.332E-01 RMM: 2 -0.363119804351E+03 -0.35717E-01 -0.71012E-02 5253 0.622E-01 0.220E+00 RMM: 3 -0.363089033373E+03 0.30771E-01 -0.12262E-02 5329 0.269E-01 0.316E-01 RMM: 4 -0.363088375561E+03 0.65781E-03 -0.14717E-03 4645 0.786E-02 0.121E-01 RMM: 5 -0.363088361013E+03 0.14548E-04 -0.20244E-04 3896 0.355E-02 0.138E-01 RMM: 6 -0.363088249696E+03 0.11132E-03 -0.87122E-05 3667 0.257E-02 0.662E-02 RMM: 7 -0.363088341121E+03 -0.91425E-04 -0.10917E-04 3878 0.256E-02 0.140E-01 RMM: 8 -0.363088224750E+03 0.11637E-03 -0.89092E-05 3766 0.257E-02 0.434E-02 RMM: 9 -0.363088214807E+03 0.99426E-05 -0.15152E-05 2500 0.119E-02 4594 T= 6513. E= 0.70233639E+03 F= 0.64845887E+03 E0= 0.67938344E+03 EK= 0.53878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363002416702E+03 0.85808E-01 -0.17973E-01 7668 0.238E+01 0.236E-01 RMM: 2 -0.363018161722E+03 -0.15745E-01 -0.85061E-02 4883 0.680E-01 0.119E+00 RMM: 3 -0.363009002366E+03 0.91594E-02 -0.96681E-03 5402 0.216E-01 0.234E-01 RMM: 4 -0.363008887509E+03 0.11486E-03 -0.11754E-03 4684 0.757E-02 0.199E-01 RMM: 5 -0.363008662871E+03 0.22464E-03 -0.21677E-04 3885 0.366E-02 0.922E-02 RMM: 6 -0.363008614099E+03 0.48772E-04 -0.51231E-05 3218 0.213E-02 0.311E-02 RMM: 7 -0.363008626639E+03 -0.12540E-04 -0.20589E-05 2523 0.136E-02 4595 T= 6843. E= 0.70516435E+03 F= 0.64855319E+03 E0= 0.67943716E+03 EK= 0.56611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362927918951E+03 0.80695E-01 -0.18143E-01 7884 0.242E+01 0.186E-01 RMM: 2 -0.362939000891E+03 -0.11082E-01 -0.68976E-02 5211 0.611E-01 0.917E-01 RMM: 3 -0.362933308396E+03 0.56925E-02 -0.62616E-03 5378 0.169E-01 0.180E-01 RMM: 4 -0.362933148981E+03 0.15942E-03 -0.61444E-04 4625 0.548E-02 0.118E-01 RMM: 5 -0.362933077371E+03 0.71610E-04 -0.12157E-04 3850 0.278E-02 0.930E-02 RMM: 6 -0.362933033957E+03 0.43414E-04 -0.49693E-05 3199 0.205E-02 0.547E-02 RMM: 7 -0.362933068157E+03 -0.34200E-04 -0.66143E-05 3544 0.212E-02 0.988E-02 RMM: 8 -0.362933005122E+03 0.63035E-04 -0.39213E-05 2988 0.185E-02 0.277E-02 RMM: 9 -0.362933006173E+03 -0.10511E-05 -0.13768E-05 2470 0.106E-02 4596 T= 7035. E= 0.70683840E+03 F= 0.64864031E+03 E0= 0.67947893E+03 EK= 0.58198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362819015620E+03 0.11399E+00 -0.18758E-01 7656 0.244E+01 0.164E-01 RMM: 2 -0.362828168308E+03 -0.91527E-02 -0.77917E-02 4919 0.648E-01 0.647E-01 RMM: 3 -0.362825283463E+03 0.28848E-02 -0.76010E-03 5498 0.174E-01 0.119E-01 RMM: 4 -0.362825300250E+03 -0.16787E-04 -0.53166E-04 4588 0.544E-02 0.167E-01 RMM: 5 -0.362825132769E+03 0.16748E-03 -0.12079E-04 3812 0.298E-02 0.723E-02 RMM: 6 -0.362825106266E+03 0.26502E-04 -0.36890E-05 2978 0.181E-02 0.401E-02 RMM: 7 -0.362825119049E+03 -0.12783E-04 -0.30359E-05 2584 0.164E-02 4597 T= 6999. E= 0.70665975E+03 F= 0.64875679E+03 E0= 0.67954821E+03 EK= 0.57903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362648540088E+03 0.17657E+00 -0.18060E-01 7560 0.242E+01 0.171E-01 RMM: 2 -0.362657654252E+03 -0.91142E-02 -0.71745E-02 5026 0.630E-01 0.710E-01 RMM: 3 -0.362654273679E+03 0.33806E-02 -0.70853E-03 5505 0.170E-01 0.151E-01 RMM: 4 -0.362654147912E+03 0.12577E-03 -0.48462E-04 4588 0.506E-02 0.118E-01 RMM: 5 -0.362654066098E+03 0.81814E-04 -0.89176E-05 3662 0.246E-02 0.737E-02 RMM: 6 -0.362654043886E+03 0.22212E-04 -0.34790E-05 2886 0.178E-02 0.493E-02 RMM: 7 -0.362654069751E+03 -0.25865E-04 -0.52968E-05 3295 0.193E-02 0.881E-02 RMM: 8 -0.362654022243E+03 0.47508E-04 -0.33342E-05 2846 0.173E-02 0.226E-02 RMM: 9 -0.362654022919E+03 -0.67516E-06 -0.10618E-05 2443 0.932E-03 4598 T= 6748. E= 0.70475932E+03 F= 0.64893369E+03 E0= 0.67968022E+03 EK= 0.55826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362399753317E+03 0.25427E+00 -0.17623E-01 7824 0.237E+01 0.164E-01 RMM: 2 -0.362409227549E+03 -0.94742E-02 -0.75531E-02 4943 0.635E-01 0.701E-01 RMM: 3 -0.362405793955E+03 0.34336E-02 -0.72125E-03 5575 0.169E-01 0.135E-01 RMM: 4 -0.362405716276E+03 0.77680E-04 -0.50241E-04 4592 0.537E-02 0.135E-01 RMM: 5 -0.362405612800E+03 0.10348E-03 -0.10174E-04 3716 0.269E-02 0.787E-02 RMM: 6 -0.362405579030E+03 0.33770E-04 -0.34822E-05 2914 0.181E-02 0.358E-02 RMM: 7 -0.362405596249E+03 -0.17220E-04 -0.30268E-05 2598 0.155E-02 4599 T= 6387. E= 0.70202071E+03 F= 0.64918507E+03 E0= 0.67989040E+03 EK= 0.52836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362075783157E+03 0.32980E+00 -0.16750E-01 7680 0.231E+01 0.182E-01 RMM: 2 -0.362084998153E+03 -0.92150E-02 -0.68793E-02 5082 0.614E-01 0.755E-01 RMM: 3 -0.362081116080E+03 0.38821E-02 -0.67156E-03 5461 0.172E-01 0.163E-01 RMM: 4 -0.362080973080E+03 0.14300E-03 -0.51485E-04 4636 0.500E-02 0.110E-01 RMM: 5 -0.362080892567E+03 0.80513E-04 -0.81073E-05 3632 0.229E-02 0.663E-02 RMM: 6 -0.362080881216E+03 0.11351E-04 -0.33341E-05 2818 0.173E-02 4600 T= 6048. E= 0.69954688E+03 F= 0.64950967E+03 E0= 0.68017966E+03 EK= 0.50037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361682197568E+03 0.39869E+00 -0.16189E-01 7836 0.226E+01 0.288E-01 RMM: 2 -0.361703484328E+03 -0.21287E-01 -0.79149E-02 5024 0.653E-01 0.154E+00 RMM: 3 -0.361688041687E+03 0.15443E-01 -0.11168E-02 5341 0.249E-01 0.298E-01 RMM: 4 -0.361687477653E+03 0.56403E-03 -0.12257E-03 4673 0.720E-02 0.100E-01 RMM: 5 -0.361687470641E+03 0.70115E-05 -0.17675E-04 3902 0.324E-02 4601 T= 5837. E= 0.69818841E+03 F= 0.64989966E+03 E0= 0.68053986E+03 EK= 0.48289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361222787766E+03 0.46469E+00 -0.16127E-01 8124 0.224E+01 0.313E-01 RMM: 2 -0.361250285353E+03 -0.27498E-01 -0.70765E-02 5251 0.615E-01 0.184E+00 RMM: 3 -0.361227964414E+03 0.22321E-01 -0.10594E-02 5331 0.248E-01 0.345E-01 RMM: 4 -0.361227167071E+03 0.79734E-03 -0.14059E-03 4655 0.793E-02 0.110E-01 RMM: 5 -0.361227144610E+03 0.22460E-04 -0.20644E-04 3892 0.350E-02 0.129E-01 RMM: 6 -0.361227051444E+03 0.93167E-04 -0.91234E-05 3718 0.263E-02 0.696E-02 RMM: 7 -0.361227115304E+03 -0.63860E-04 -0.10430E-04 3879 0.252E-02 0.125E-01 RMM: 8 -0.361227027105E+03 0.88199E-04 -0.88282E-05 3820 0.255E-02 0.531E-02 RMM: 9 -0.361227009721E+03 0.17385E-04 -0.16109E-05 2506 0.124E-02 4602 T= 5807. E= 0.69839092E+03 F= 0.65035333E+03 E0= 0.68096679E+03 EK= 0.48038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360685653093E+03 0.54137E+00 -0.16478E-01 7956 0.225E+01 0.242E-01 RMM: 2 -0.360700659393E+03 -0.15006E-01 -0.84405E-02 4929 0.669E-01 0.115E+00 RMM: 3 -0.360692008891E+03 0.86505E-02 -0.91642E-03 5434 0.207E-01 0.221E-01 RMM: 4 -0.360691894046E+03 0.11484E-03 -0.11013E-03 4640 0.735E-02 0.186E-01 RMM: 5 -0.360691687566E+03 0.20648E-03 -0.18513E-04 3887 0.320E-02 0.872E-02 RMM: 6 -0.360691642555E+03 0.45011E-04 -0.43801E-05 3131 0.197E-02 0.272E-02 RMM: 7 -0.360691653077E+03 -0.10522E-04 -0.18894E-05 2527 0.128E-02 4603 T= 5965. E= 0.70022393E+03 F= 0.65087869E+03 E0= 0.68146819E+03 EK= 0.49345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360053886395E+03 0.63776E+00 -0.16496E-01 8376 0.229E+01 0.199E-01 RMM: 2 -0.360065565487E+03 -0.11679E-01 -0.78291E-02 5196 0.632E-01 0.909E-01 RMM: 3 -0.360060098157E+03 0.54673E-02 -0.76959E-03 5620 0.180E-01 0.200E-01 RMM: 4 -0.360059818764E+03 0.27939E-03 -0.64460E-04 4698 0.545E-02 0.951E-02 RMM: 5 -0.360059776720E+03 0.42044E-04 -0.11551E-04 3856 0.261E-02 0.930E-02 RMM: 6 -0.360059731700E+03 0.45020E-04 -0.50806E-05 3257 0.203E-02 0.553E-02 RMM: 7 -0.360059768355E+03 -0.36656E-04 -0.71737E-05 3606 0.219E-02 0.100E-01 RMM: 8 -0.360059707761E+03 0.60594E-04 -0.45139E-05 3091 0.193E-02 0.410E-02 RMM: 9 -0.360059698743E+03 0.90187E-05 -0.14146E-05 2474 0.109E-02 4604 T= 6273. E= 0.70339065E+03 F= 0.65149784E+03 E0= 0.68206410E+03 EK= 0.51893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359295456812E+03 0.76425E+00 -0.18014E-01 8328 0.235E+01 0.189E-01 RMM: 2 -0.359307374090E+03 -0.11917E-01 -0.94502E-02 5086 0.689E-01 0.788E-01 RMM: 3 -0.359303063533E+03 0.43106E-02 -0.91893E-03 5817 0.185E-01 0.129E-01 RMM: 4 -0.359302979961E+03 0.83572E-04 -0.60622E-04 4666 0.547E-02 0.160E-01 RMM: 5 -0.359302820013E+03 0.15995E-03 -0.12116E-04 3821 0.281E-02 0.768E-02 RMM: 6 -0.359302788678E+03 0.31335E-04 -0.41189E-05 3070 0.188E-02 0.443E-02 RMM: 7 -0.359302795576E+03 -0.68976E-05 -0.34133E-05 2703 0.165E-02 4605 T= 6641. E= 0.70717724E+03 F= 0.65223958E+03 E0= 0.68278232E+03 EK= 0.54938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358391918331E+03 0.91087E+00 -0.19082E-01 8808 0.241E+01 0.192E-01 RMM: 2 -0.358404686990E+03 -0.12769E-01 -0.92666E-02 5345 0.667E-01 0.875E-01 RMM: 3 -0.358399281126E+03 0.54059E-02 -0.78886E-03 5738 0.175E-01 0.190E-01 RMM: 4 -0.358399028115E+03 0.25301E-03 -0.63986E-04 4639 0.549E-02 0.101E-01 RMM: 5 -0.358398970028E+03 0.58086E-04 -0.10947E-04 3805 0.254E-02 0.816E-02 RMM: 6 -0.358398943030E+03 0.26998E-04 -0.34893E-05 2946 0.175E-02 0.561E-02 RMM: 7 -0.358398963648E+03 -0.20618E-04 -0.57501E-05 3369 0.198E-02 0.895E-02 RMM: 8 -0.358398913243E+03 0.50405E-04 -0.34196E-05 2909 0.176E-02 0.251E-02 RMM: 9 -0.358398916114E+03 -0.28713E-05 -0.13112E-05 2466 0.101E-02 4606 T= 6938. E= 0.71051944E+03 F= 0.65312630E+03 E0= 0.68364584E+03 EK= 0.57393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357341591784E+03 0.10573E+01 -0.20229E-01 8724 0.244E+01 0.177E-01 RMM: 2 -0.357354247129E+03 -0.12655E-01 -0.10741E-01 5268 0.693E-01 0.722E-01 RMM: 3 -0.357350006357E+03 0.42408E-02 -0.79390E-03 5791 0.174E-01 0.143E-01 RMM: 4 -0.357349942826E+03 0.63531E-04 -0.59831E-04 4613 0.538E-02 0.154E-01 RMM: 5 -0.357349788846E+03 0.15398E-03 -0.12240E-04 3850 0.280E-02 0.784E-02 RMM: 6 -0.357349755497E+03 0.33349E-04 -0.40006E-05 3082 0.186E-02 0.412E-02 RMM: 7 -0.357349760282E+03 -0.47853E-05 -0.29199E-05 2602 0.155E-02 4607 T= 7039. E= 0.71238498E+03 F= 0.65415643E+03 E0= 0.68465299E+03 EK= 0.58229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356187717828E+03 0.11620E+01 -0.20650E-01 8556 0.244E+01 0.175E-01 RMM: 2 -0.356200950678E+03 -0.13233E-01 -0.10979E-01 5432 0.679E-01 0.726E-01 RMM: 3 -0.356196178017E+03 0.47727E-02 -0.71961E-03 5762 0.170E-01 0.150E-01 RMM: 4 -0.356196052563E+03 0.12545E-03 -0.55566E-04 4586 0.507E-02 0.120E-01 RMM: 5 -0.356195965733E+03 0.86829E-04 -0.93480E-05 3687 0.239E-02 0.794E-02 RMM: 6 -0.356195947245E+03 0.18488E-04 -0.38684E-05 3003 0.181E-02 4608 T= 6899. E= 0.71236300E+03 F= 0.65528923E+03 E0= 0.68576718E+03 EK= 0.57074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355008241706E+03 0.11877E+01 -0.20277E-01 8484 0.240E+01 0.305E-01 RMM: 2 -0.355036330343E+03 -0.28089E-01 -0.12132E-01 5168 0.734E-01 0.164E+00 RMM: 3 -0.355017436744E+03 0.18894E-01 -0.13585E-02 5363 0.268E-01 0.305E-01 RMM: 4 -0.355016833448E+03 0.60330E-03 -0.14653E-03 4768 0.768E-02 0.120E-01 RMM: 5 -0.355016813746E+03 0.19702E-04 -0.21065E-04 3896 0.367E-02 0.123E-01 RMM: 6 -0.355016721760E+03 0.91985E-04 -0.69179E-05 3451 0.238E-02 0.547E-02 RMM: 7 -0.355016732223E+03 -0.10463E-04 -0.35594E-05 2872 0.177E-02 4609 T= 6586. E= 0.71093143E+03 F= 0.65644522E+03 E0= 0.68691004E+03 EK= 0.54486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353902835520E+03 0.11139E+01 -0.19580E-01 8748 0.235E+01 0.360E-01 RMM: 2 -0.353939765468E+03 -0.36930E-01 -0.12036E-01 5235 0.760E-01 0.206E+00 RMM: 3 -0.353911740720E+03 0.28025E-01 -0.15724E-02 5360 0.295E-01 0.378E-01 RMM: 4 -0.353910782321E+03 0.95840E-03 -0.19727E-03 4825 0.913E-02 0.132E-01 RMM: 5 -0.353910775113E+03 0.72079E-05 -0.28076E-04 3915 0.404E-02 0.142E-01 RMM: 6 -0.353910645111E+03 0.13000E-03 -0.90380E-05 3686 0.268E-02 0.514E-02 RMM: 7 -0.353910646095E+03 -0.98403E-06 -0.28144E-05 2711 0.158E-02 4610 T= 6236. E= 0.70911164E+03 F= 0.65752562E+03 E0= 0.68798462E+03 EK= 0.51586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352970897935E+03 0.93975E+00 -0.19784E-01 8688 0.231E+01 0.410E-01 RMM: 2 -0.353014259909E+03 -0.43362E-01 -0.14135E-01 5050 0.858E-01 0.226E+00 RMM: 3 -0.352981171719E+03 0.33088E-01 -0.21031E-02 5336 0.347E-01 0.381E-01 RMM: 4 -0.352980219894E+03 0.95182E-03 -0.22874E-03 5028 0.958E-02 0.142E-01 RMM: 5 -0.352980184629E+03 0.35265E-04 -0.31689E-04 3933 0.418E-02 0.142E-01 RMM: 6 -0.352980052987E+03 0.13164E-03 -0.10062E-04 3800 0.280E-02 0.545E-02 RMM: 7 -0.352980060448E+03 -0.74614E-05 -0.34404E-05 2905 0.170E-02 4611 T= 5979. E= 0.70788651E+03 F= 0.65842801E+03 E0= 0.68889023E+03 EK= 0.49458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352310359655E+03 0.66969E+00 -0.17835E-01 8868 0.229E+01 0.335E-01 RMM: 2 -0.352340679270E+03 -0.30320E-01 -0.11508E-01 5262 0.751E-01 0.182E+00 RMM: 3 -0.352319230063E+03 0.21449E-01 -0.14219E-02 5361 0.277E-01 0.360E-01 RMM: 4 -0.352318401878E+03 0.82819E-03 -0.17588E-03 4703 0.864E-02 0.134E-01 RMM: 5 -0.352318370326E+03 0.31552E-04 -0.26256E-04 3921 0.400E-02 0.135E-01 RMM: 6 -0.352318252189E+03 0.11814E-03 -0.85792E-05 3659 0.258E-02 0.577E-02 RMM: 7 -0.352318257790E+03 -0.56009E-05 -0.33417E-05 2831 0.172E-02 4612 T= 5900. E= 0.70786587E+03 F= 0.65905932E+03 E0= 0.68953342E+03 EK= 0.48807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351990159693E+03 0.32809E+00 -0.17861E-01 8532 0.231E+01 0.383E-01 RMM: 2 -0.352030043678E+03 -0.39884E-01 -0.13237E-01 5072 0.836E-01 0.216E+00 RMM: 3 -0.352000096265E+03 0.29947E-01 -0.19435E-02 5351 0.330E-01 0.380E-01 RMM: 4 -0.351999161377E+03 0.93489E-03 -0.21194E-03 4980 0.914E-02 0.133E-01 RMM: 5 -0.351999133594E+03 0.27783E-04 -0.30350E-04 3930 0.413E-02 0.139E-01 RMM: 6 -0.351999006756E+03 0.12684E-03 -0.94045E-05 3717 0.271E-02 0.553E-02 RMM: 7 -0.351999017949E+03 -0.11193E-04 -0.39222E-05 3010 0.181E-02 4613 T= 6030. E= 0.70922751E+03 F= 0.65934619E+03 E0= 0.68984018E+03 EK= 0.49881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352053464204E+03 -0.54457E-01 -0.17261E-01 8184 0.236E+01 0.355E-01 RMM: 2 -0.352089778968E+03 -0.36315E-01 -0.11436E-01 5143 0.780E-01 0.205E+00 RMM: 3 -0.352062196016E+03 0.27583E-01 -0.16436E-02 5362 0.302E-01 0.362E-01 RMM: 4 -0.352061334925E+03 0.86109E-03 -0.19753E-03 4828 0.896E-02 0.130E-01 RMM: 5 -0.352061309565E+03 0.25360E-04 -0.27242E-04 3907 0.395E-02 0.136E-01 RMM: 6 -0.352061193162E+03 0.11640E-03 -0.81866E-05 3637 0.254E-02 0.593E-02 RMM: 7 -0.352061196776E+03 -0.36138E-05 -0.31248E-05 2773 0.165E-02 4614 T= 6342. E= 0.71171165E+03 F= 0.65925031E+03 E0= 0.68976955E+03 EK= 0.52461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352472168063E+03 -0.41097E+00 -0.17465E-01 7812 0.244E+01 0.376E-01 RMM: 2 -0.352508659271E+03 -0.36491E-01 -0.11245E-01 5145 0.802E-01 0.210E+00 RMM: 3 -0.352480416896E+03 0.28242E-01 -0.17330E-02 5352 0.317E-01 0.382E-01 RMM: 4 -0.352479447724E+03 0.96917E-03 -0.19716E-03 4808 0.894E-02 0.135E-01 RMM: 5 -0.352479408222E+03 0.39502E-04 -0.29099E-04 3952 0.418E-02 0.131E-01 RMM: 6 -0.352479296305E+03 0.11192E-03 -0.91717E-05 3748 0.268E-02 0.574E-02 RMM: 7 -0.352479305823E+03 -0.95187E-05 -0.38255E-05 2990 0.181E-02 4615 T= 6741. E= 0.71456603E+03 F= 0.65879754E+03 E0= 0.68934563E+03 EK= 0.55768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353135228984E+03 -0.65593E+00 -0.18253E-01 7776 0.251E+01 0.310E-01 RMM: 2 -0.353160285408E+03 -0.25056E-01 -0.96653E-02 5190 0.751E-01 0.166E+00 RMM: 3 -0.353142619043E+03 0.17666E-01 -0.12936E-02 5354 0.268E-01 0.296E-01 RMM: 4 -0.353142078708E+03 0.54033E-03 -0.14341E-03 4677 0.771E-02 0.133E-01 RMM: 5 -0.353142018929E+03 0.59779E-04 -0.22456E-04 3898 0.387E-02 0.125E-01 RMM: 6 -0.353141920272E+03 0.98657E-04 -0.86119E-05 3671 0.263E-02 0.530E-02 RMM: 7 -0.353141941055E+03 -0.20783E-04 -0.41527E-05 3013 0.188E-02 0.874E-02 RMM: 8 -0.353141894713E+03 0.46343E-04 -0.43947E-05 2909 0.197E-02 0.473E-02 RMM: 9 -0.353141883159E+03 0.11554E-04 -0.19328E-05 2515 0.131E-02 4616 T= 7072. E= 0.71660069E+03 F= 0.65809938E+03 E0= 0.68867761E+03 EK= 0.58501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353859239062E+03 -0.71734E+00 -0.19393E-01 7728 0.255E+01 0.278E-01 RMM: 2 -0.353884358589E+03 -0.25120E-01 -0.10380E-01 5128 0.768E-01 0.162E+00 RMM: 3 -0.353867346443E+03 0.17012E-01 -0.11967E-02 5372 0.249E-01 0.242E-01 RMM: 4 -0.353867093158E+03 0.25328E-03 -0.13602E-03 4691 0.765E-02 0.184E-01 RMM: 5 -0.353866922333E+03 0.17083E-03 -0.25262E-04 3990 0.423E-02 0.113E-01 RMM: 6 -0.353866844193E+03 0.78140E-04 -0.76872E-05 3543 0.247E-02 0.521E-02 RMM: 7 -0.353866856533E+03 -0.12340E-04 -0.37123E-05 2891 0.181E-02 4617 T= 7171. E= 0.71665704E+03 F= 0.65733756E+03 E0= 0.68794309E+03 EK= 0.59319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354464300162E+03 -0.59746E+00 -0.19718E-01 8040 0.255E+01 0.221E-01 RMM: 2 -0.354479785270E+03 -0.15485E-01 -0.99281E-02 5235 0.735E-01 0.106E+00 RMM: 3 -0.354472303417E+03 0.74819E-02 -0.96814E-03 5507 0.207E-01 0.204E-01 RMM: 4 -0.354472045951E+03 0.25747E-03 -0.81656E-04 4670 0.604E-02 0.124E-01 RMM: 5 -0.354471957501E+03 0.88450E-04 -0.13868E-04 3876 0.304E-02 0.102E-01 RMM: 6 -0.354471919516E+03 0.37985E-04 -0.59571E-05 3360 0.218E-02 0.758E-02 RMM: 7 -0.354471953002E+03 -0.33486E-04 -0.91015E-05 3856 0.242E-02 0.117E-01 RMM: 8 -0.354471866330E+03 0.86672E-04 -0.64673E-05 3486 0.223E-02 0.396E-02 RMM: 9 -0.354471870414E+03 -0.40841E-05 -0.24919E-05 2615 0.143E-02 4618 T= 6973. E= 0.71438192E+03 F= 0.65669371E+03 E0= 0.68732295E+03 EK= 0.57688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354849911174E+03 -0.37804E+00 -0.19009E-01 8100 0.249E+01 0.212E-01 RMM: 2 -0.354864673175E+03 -0.14762E-01 -0.11057E-01 5072 0.751E-01 0.922E-01 RMM: 3 -0.354858825977E+03 0.58472E-02 -0.10626E-02 5566 0.207E-01 0.185E-01 RMM: 4 -0.354858727615E+03 0.98362E-04 -0.86170E-04 4671 0.665E-02 0.189E-01 RMM: 5 -0.354858514986E+03 0.21263E-03 -0.17747E-04 3886 0.348E-02 0.912E-02 RMM: 6 -0.354858469956E+03 0.45029E-04 -0.54492E-05 3248 0.215E-02 0.506E-02 RMM: 7 -0.354858481433E+03 -0.11476E-04 -0.32834E-05 2674 0.170E-02 4619 T= 6563. E= 0.71056218E+03 F= 0.65626547E+03 E0= 0.68691051E+03 EK= 0.54297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355037357484E+03 -0.17889E+00 -0.17539E-01 7992 0.241E+01 0.212E-01 RMM: 2 -0.355050449354E+03 -0.13092E-01 -0.95779E-02 5234 0.686E-01 0.889E-01 RMM: 3 -0.355044868219E+03 0.55811E-02 -0.86177E-03 5654 0.190E-01 0.208E-01 RMM: 4 -0.355044643202E+03 0.22502E-03 -0.69661E-04 4638 0.576E-02 0.138E-01 RMM: 5 -0.355044524427E+03 0.11877E-03 -0.12804E-04 3870 0.270E-02 0.100E-01 RMM: 6 -0.355044488967E+03 0.35460E-04 -0.61337E-05 3385 0.219E-02 0.776E-02 RMM: 7 -0.355044557206E+03 -0.68239E-04 -0.11908E-04 3884 0.271E-02 0.137E-01 RMM: 8 -0.355044440197E+03 0.11701E-03 -0.87948E-05 3754 0.242E-02 0.392E-02 RMM: 9 -0.355044432320E+03 0.78776E-05 -0.14101E-05 2504 0.108E-02 4620 T= 6112. E= 0.70659530E+03 F= 0.65603444E+03 E0= 0.68668835E+03 EK= 0.50561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355129804631E+03 -0.85364E-01 -0.16859E-01 8016 0.232E+01 0.251E-01 RMM: 2 -0.355145905027E+03 -0.16100E-01 -0.96693E-02 5092 0.697E-01 0.113E+00 RMM: 3 -0.355137059388E+03 0.88456E-02 -0.10281E-02 5575 0.211E-01 0.201E-01 RMM: 4 -0.355136892386E+03 0.16700E-03 -0.96207E-04 4633 0.686E-02 0.175E-01 RMM: 5 -0.355136733776E+03 0.15861E-03 -0.16563E-04 3881 0.318E-02 0.119E-01 RMM: 6 -0.355136647478E+03 0.86298E-04 -0.62523E-05 3380 0.232E-02 0.467E-02 RMM: 7 -0.355136654991E+03 -0.75131E-05 -0.28204E-05 2613 0.154E-02 4621 T= 5779. E= 0.70369726E+03 F= 0.65589349E+03 E0= 0.68654905E+03 EK= 0.47804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355271019519E+03 -0.13437E+00 -0.15723E-01 8076 0.226E+01 0.227E-01 RMM: 2 -0.355284427783E+03 -0.13408E-01 -0.85546E-02 5210 0.653E-01 0.101E+00 RMM: 3 -0.355277625021E+03 0.68028E-02 -0.81233E-03 5609 0.187E-01 0.236E-01 RMM: 4 -0.355277338258E+03 0.28676E-03 -0.82662E-04 4628 0.641E-02 0.149E-01 RMM: 5 -0.355277201317E+03 0.13694E-03 -0.15284E-04 3884 0.305E-02 0.946E-02 RMM: 6 -0.355277161762E+03 0.39555E-04 -0.60535E-05 3354 0.221E-02 0.639E-02 RMM: 7 -0.355277213922E+03 -0.52160E-04 -0.79412E-05 3716 0.223E-02 0.116E-01 RMM: 8 -0.355277132161E+03 0.81761E-04 -0.65231E-05 3477 0.217E-02 0.362E-02 RMM: 9 -0.355277127620E+03 0.45414E-05 -0.15002E-05 2489 0.114E-02 4622 T= 5663. E= 0.70254876E+03 F= 0.65570100E+03 E0= 0.68635262E+03 EK= 0.46848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355590319383E+03 -0.31319E+00 -0.16126E-01 8040 0.225E+01 0.246E-01 RMM: 2 -0.355605391390E+03 -0.15072E-01 -0.95183E-02 5065 0.708E-01 0.108E+00 RMM: 3 -0.355597641103E+03 0.77503E-02 -0.10184E-02 5626 0.206E-01 0.216E-01 RMM: 4 -0.355597394234E+03 0.24687E-03 -0.93664E-04 4635 0.688E-02 0.169E-01 RMM: 5 -0.355597266806E+03 0.12743E-03 -0.17413E-04 3879 0.327E-02 0.129E-01 RMM: 6 -0.355597160194E+03 0.10661E-03 -0.72066E-05 3489 0.247E-02 0.430E-02 RMM: 7 -0.355597174690E+03 -0.14496E-04 -0.32783E-05 2702 0.160E-02 4623 T= 5803. E= 0.70333468E+03 F= 0.65532651E+03 E0= 0.68596950E+03 EK= 0.48008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356175637344E+03 -0.57848E+00 -0.15818E-01 7908 0.228E+01 0.218E-01 RMM: 2 -0.356188867034E+03 -0.13230E-01 -0.74564E-02 5268 0.622E-01 0.107E+00 RMM: 3 -0.356181256080E+03 0.76110E-02 -0.68489E-03 5467 0.180E-01 0.210E-01 RMM: 4 -0.356181016459E+03 0.23962E-03 -0.72181E-04 4635 0.578E-02 0.115E-01 RMM: 5 -0.356180979846E+03 0.36613E-04 -0.12975E-04 3878 0.280E-02 0.109E-01 RMM: 6 -0.356180911439E+03 0.68407E-04 -0.53940E-05 3293 0.211E-02 0.509E-02 RMM: 7 -0.356180955551E+03 -0.44112E-04 -0.52598E-05 3286 0.193E-02 0.102E-01 RMM: 8 -0.356180896400E+03 0.59151E-04 -0.43915E-05 3101 0.197E-02 0.405E-02 RMM: 9 -0.356180887684E+03 0.87162E-05 -0.12339E-05 2468 0.104E-02 4624 T= 6179. E= 0.70580208E+03 F= 0.65468700E+03 E0= 0.68531811E+03 EK= 0.51115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357033177977E+03 -0.85228E+00 -0.16723E-01 7908 0.235E+01 0.204E-01 RMM: 2 -0.357046347301E+03 -0.13169E-01 -0.90250E-02 5143 0.680E-01 0.956E-01 RMM: 3 -0.357040301143E+03 0.60462E-02 -0.80562E-03 5615 0.182E-01 0.197E-01 RMM: 4 -0.357040060870E+03 0.24027E-03 -0.70577E-04 4619 0.608E-02 0.129E-01 RMM: 5 -0.357039977135E+03 0.83735E-04 -0.14681E-04 3878 0.302E-02 0.105E-01 RMM: 6 -0.357039912529E+03 0.64606E-04 -0.59970E-05 3338 0.225E-02 0.441E-02 RMM: 7 -0.357039936265E+03 -0.23736E-04 -0.41619E-05 2924 0.177E-02 0.871E-02 RMM: 8 -0.357039886289E+03 0.49976E-04 -0.33804E-05 2617 0.174E-02 0.260E-02 RMM: 9 -0.357039884869E+03 0.14197E-05 -0.12272E-05 2453 0.943E-03 4625 T= 6694. E= 0.70914608E+03 F= 0.65377165E+03 E0= 0.68438894E+03 EK= 0.55374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358097218007E+03 -0.10573E+01 -0.17608E-01 8196 0.243E+01 0.207E-01 RMM: 2 -0.358110877414E+03 -0.13659E-01 -0.92437E-02 5281 0.701E-01 0.964E-01 RMM: 3 -0.358104495745E+03 0.63817E-02 -0.78270E-03 5570 0.181E-01 0.177E-01 RMM: 4 -0.358104314502E+03 0.18124E-03 -0.68794E-04 4637 0.593E-02 0.135E-01 RMM: 5 -0.358104201180E+03 0.11332E-03 -0.14756E-04 3880 0.318E-02 0.824E-02 RMM: 6 -0.358104177191E+03 0.23989E-04 -0.47864E-05 3183 0.200E-02 0.659E-02 RMM: 7 -0.358104192588E+03 -0.15396E-04 -0.56513E-05 3406 0.204E-02 4626 T= 7164. E= 0.71191828E+03 F= 0.65265057E+03 E0= 0.68325406E+03 EK= 0.59268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359243703644E+03 -0.11395E+01 -0.18304E-01 8412 0.248E+01 0.218E-01 RMM: 2 -0.359258336749E+03 -0.14633E-01 -0.10573E-01 5290 0.745E-01 0.960E-01 RMM: 3 -0.359252302017E+03 0.60347E-02 -0.92839E-03 5698 0.193E-01 0.219E-01 RMM: 4 -0.359251964745E+03 0.33727E-03 -0.75421E-04 4653 0.619E-02 0.134E-01 RMM: 5 -0.359251844119E+03 0.12063E-03 -0.15517E-04 3885 0.327E-02 0.880E-02 RMM: 6 -0.359251832741E+03 0.11378E-04 -0.63847E-05 3443 0.221E-02 4627 T= 7375. E= 0.71245710E+03 F= 0.65144511E+03 E0= 0.68203650E+03 EK= 0.61012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360361096738E+03 -0.11093E+01 -0.18299E-01 8280 0.248E+01 0.328E-01 RMM: 2 -0.360391363560E+03 -0.30267E-01 -0.11026E-01 5297 0.750E-01 0.181E+00 RMM: 3 -0.360369583868E+03 0.21780E-01 -0.13975E-02 5336 0.277E-01 0.319E-01 RMM: 4 -0.360368979273E+03 0.60459E-03 -0.15521E-03 4709 0.793E-02 0.134E-01 RMM: 5 -0.360368906651E+03 0.72622E-04 -0.22819E-04 3898 0.390E-02 0.124E-01 RMM: 6 -0.360368824774E+03 0.81877E-04 -0.82201E-05 3616 0.253E-02 0.716E-02 RMM: 7 -0.360368881046E+03 -0.56272E-04 -0.99146E-05 3840 0.267E-02 0.121E-01 RMM: 8 -0.360368792799E+03 0.88247E-04 -0.61470E-05 3377 0.210E-02 0.541E-02 RMM: 9 -0.360368778790E+03 0.14009E-04 -0.22726E-05 2566 0.140E-02 4628 T= 7214. E= 0.70994853E+03 F= 0.65026795E+03 E0= 0.68085348E+03 EK= 0.59681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361398192992E+03 -0.10294E+01 -0.17949E-01 8124 0.242E+01 0.365E-01 RMM: 2 -0.361432463483E+03 -0.34270E-01 -0.11818E-01 5216 0.783E-01 0.197E+00 RMM: 3 -0.361406841038E+03 0.25622E-01 -0.15257E-02 5349 0.294E-01 0.380E-01 RMM: 4 -0.361405926913E+03 0.91413E-03 -0.20631E-03 4873 0.964E-02 0.148E-01 RMM: 5 -0.361405904808E+03 0.22104E-04 -0.28580E-04 3910 0.416E-02 0.157E-01 RMM: 6 -0.361405747515E+03 0.15729E-03 -0.90572E-05 3673 0.271E-02 0.478E-02 RMM: 7 -0.361405766286E+03 -0.18771E-04 -0.43441E-05 3082 0.181E-02 4629 T= 6763. E= 0.70511821E+03 F= 0.64916677E+03 E0= 0.67975388E+03 EK= 0.55951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362384066950E+03 -0.97832E+00 -0.17477E-01 8136 0.233E+01 0.276E-01 RMM: 2 -0.362408463624E+03 -0.24397E-01 -0.11376E-01 5201 0.741E-01 0.150E+00 RMM: 3 -0.362392860626E+03 0.15603E-01 -0.11243E-02 5369 0.235E-01 0.234E-01 RMM: 4 -0.362392647640E+03 0.21299E-03 -0.12894E-03 4723 0.771E-02 0.184E-01 RMM: 5 -0.362392518548E+03 0.12909E-03 -0.22906E-04 3895 0.383E-02 0.144E-01 RMM: 6 -0.362392389607E+03 0.12894E-03 -0.97963E-05 3696 0.273E-02 0.601E-02 RMM: 7 -0.362392465355E+03 -0.75747E-04 -0.11088E-04 3873 0.265E-02 0.131E-01 RMM: 8 -0.362392361417E+03 0.10394E-03 -0.74175E-05 3580 0.238E-02 0.430E-02 RMM: 9 -0.362392352974E+03 0.84429E-05 -0.15903E-05 2506 0.118E-02 4630 T= 6231. E= 0.69966008E+03 F= 0.64811059E+03 E0= 0.67870925E+03 EK= 0.51549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363394972058E+03 -0.10026E+01 -0.16568E-01 8172 0.224E+01 0.245E-01 RMM: 2 -0.363412716401E+03 -0.17744E-01 -0.10696E-01 5227 0.715E-01 0.116E+00 RMM: 3 -0.363403132110E+03 0.95843E-02 -0.94383E-03 5433 0.208E-01 0.179E-01 RMM: 4 -0.363403151481E+03 -0.19371E-04 -0.10442E-03 4663 0.720E-02 0.215E-01 RMM: 5 -0.363402871395E+03 0.28009E-03 -0.20583E-04 3888 0.358E-02 0.111E-01 RMM: 6 -0.363402797568E+03 0.73827E-04 -0.66320E-05 3427 0.234E-02 0.491E-02 RMM: 7 -0.363402817351E+03 -0.19783E-04 -0.48725E-05 3142 0.193E-02 4631 T= 5814. E= 0.69512100E+03 F= 0.64702437E+03 E0= 0.67764525E+03 EK= 0.48097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364507591812E+03 -0.11048E+01 -0.15640E-01 8280 0.219E+01 0.221E-01 RMM: 2 -0.364521045888E+03 -0.13454E-01 -0.96466E-02 5217 0.681E-01 0.903E-01 RMM: 3 -0.364515233619E+03 0.58123E-02 -0.83320E-03 5617 0.187E-01 0.200E-01 RMM: 4 -0.364515092641E+03 0.14098E-03 -0.82434E-04 4632 0.660E-02 0.182E-01 RMM: 5 -0.364514888897E+03 0.20374E-03 -0.17770E-04 3880 0.332E-02 0.971E-02 RMM: 6 -0.364514850340E+03 0.38557E-04 -0.65093E-05 3422 0.227E-02 0.686E-02 RMM: 7 -0.364514895369E+03 -0.45030E-04 -0.90651E-05 3839 0.242E-02 0.114E-01 RMM: 8 -0.364514811091E+03 0.84278E-04 -0.51335E-05 3249 0.206E-02 0.259E-02 RMM: 9 -0.364514813125E+03 -0.20337E-05 -0.12896E-05 2481 0.105E-02 4632 T= 5625. E= 0.69236799E+03 F= 0.64583066E+03 E0= 0.67648416E+03 EK= 0.46537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365773876815E+03 -0.12591E+01 -0.15675E-01 8628 0.218E+01 0.231E-01 RMM: 2 -0.365788083039E+03 -0.14206E-01 -0.92154E-02 5230 0.658E-01 0.101E+00 RMM: 3 -0.365780911830E+03 0.71712E-02 -0.84159E-03 5620 0.188E-01 0.186E-01 RMM: 4 -0.365780768341E+03 0.14349E-03 -0.82014E-04 4653 0.641E-02 0.177E-01 RMM: 5 -0.365780605315E+03 0.16303E-03 -0.17314E-04 3884 0.332E-02 0.113E-01 RMM: 6 -0.365780529202E+03 0.76113E-04 -0.74065E-05 3513 0.247E-02 0.490E-02 RMM: 7 -0.365780569914E+03 -0.40712E-04 -0.55538E-05 3270 0.195E-02 0.103E-01 RMM: 8 -0.365780502097E+03 0.67816E-04 -0.45719E-05 2993 0.197E-02 0.290E-02 RMM: 9 -0.365780499624E+03 0.24734E-05 -0.13103E-05 2465 0.102E-02 4633 T= 5704. E= 0.69166387E+03 F= 0.64447841E+03 E0= 0.67517417E+03 EK= 0.47185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367200207156E+03 -0.14197E+01 -0.16590E-01 8508 0.223E+01 0.206E-01 RMM: 2 -0.367213453935E+03 -0.13247E-01 -0.86719E-02 5408 0.624E-01 0.957E-01 RMM: 3 -0.367206877120E+03 0.65768E-02 -0.67774E-03 5628 0.168E-01 0.177E-01 RMM: 4 -0.367206719012E+03 0.15811E-03 -0.67916E-04 4654 0.574E-02 0.140E-01 RMM: 5 -0.367206609550E+03 0.10946E-03 -0.14015E-04 3886 0.296E-02 0.993E-02 RMM: 6 -0.367206565500E+03 0.44050E-04 -0.63969E-05 3458 0.227E-02 0.660E-02 RMM: 7 -0.367206608416E+03 -0.42917E-04 -0.80329E-05 3716 0.236E-02 0.111E-01 RMM: 8 -0.367206529003E+03 0.79413E-04 -0.46807E-05 3193 0.199E-02 0.345E-02 RMM: 9 -0.367206524163E+03 0.48395E-05 -0.12673E-05 2471 0.101E-02 4634 T= 6027. E= 0.69282551E+03 F= 0.64296257E+03 E0= 0.67370895E+03 EK= 0.49863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368732080945E+03 -0.15256E+01 -0.19016E-01 8820 0.231E+01 0.227E-01 RMM: 2 -0.368749036886E+03 -0.16956E-01 -0.98373E-02 5379 0.673E-01 0.117E+00 RMM: 3 -0.368739623183E+03 0.94137E-02 -0.82239E-03 5510 0.191E-01 0.197E-01 RMM: 4 -0.368739392450E+03 0.23073E-03 -0.82147E-04 4680 0.606E-02 0.131E-01 RMM: 5 -0.368739291616E+03 0.10083E-03 -0.15638E-04 3883 0.330E-02 0.969E-02 RMM: 6 -0.368739251469E+03 0.40147E-04 -0.68494E-05 3491 0.231E-02 0.707E-02 RMM: 7 -0.368739288638E+03 -0.37168E-04 -0.81024E-05 3784 0.237E-02 0.113E-01 RMM: 8 -0.368739203247E+03 0.85391E-04 -0.44733E-05 3167 0.194E-02 0.269E-02 RMM: 9 -0.368739206398E+03 -0.31511E-05 -0.15146E-05 2495 0.108E-02 4635 T= 6509. E= 0.69518740E+03 F= 0.64133822E+03 E0= 0.67214111E+03 EK= 0.53849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370255525235E+03 -0.15163E+01 -0.21609E-01 8796 0.241E+01 0.209E-01 RMM: 2 -0.370271940061E+03 -0.16415E-01 -0.11325E-01 5438 0.716E-01 0.102E+00 RMM: 3 -0.370264453631E+03 0.74864E-02 -0.82439E-03 5629 0.184E-01 0.191E-01 RMM: 4 -0.370264221942E+03 0.23169E-03 -0.77140E-04 4647 0.594E-02 0.133E-01 RMM: 5 -0.370264102538E+03 0.11940E-03 -0.15405E-04 3880 0.331E-02 0.908E-02 RMM: 6 -0.370264085960E+03 0.16578E-04 -0.66387E-05 3511 0.224E-02 4636 T= 6984. E= 0.69749819E+03 F= 0.63972037E+03 E0= 0.67058175E+03 EK= 0.57778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371619608544E+03 -0.13555E+01 -0.23762E-01 8712 0.248E+01 0.340E-01 RMM: 2 -0.371650796900E+03 -0.31188E-01 -0.13154E-01 5452 0.770E-01 0.179E+00 RMM: 3 -0.371629213817E+03 0.21583E-01 -0.14446E-02 5365 0.279E-01 0.298E-01 RMM: 4 -0.371628664635E+03 0.54918E-03 -0.15619E-03 4746 0.765E-02 0.133E-01 RMM: 5 -0.371628583564E+03 0.81070E-04 -0.24756E-04 3906 0.422E-02 0.139E-01 RMM: 6 -0.371628490132E+03 0.93432E-04 -0.16163E-04 3880 0.351E-02 0.944E-02 RMM: 7 -0.371628606148E+03 -0.11602E-03 -0.16487E-04 3888 0.341E-02 0.167E-01 RMM: 8 -0.371628432383E+03 0.17377E-03 -0.86931E-05 3672 0.262E-02 0.552E-02 RMM: 9 -0.371628422069E+03 0.10314E-04 -0.26492E-05 2730 0.148E-02 4637 T= 7246. E= 0.69820596E+03 F= 0.63826107E+03 E0= 0.66918084E+03 EK= 0.59945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372687358717E+03 -0.10589E+01 -0.25493E-01 8688 0.250E+01 0.300E-01 RMM: 2 -0.372716885253E+03 -0.29527E-01 -0.14169E-01 5382 0.791E-01 0.164E+00 RMM: 3 -0.372698285948E+03 0.18599E-01 -0.13059E-02 5361 0.263E-01 0.326E-01 RMM: 4 -0.372697619938E+03 0.66601E-03 -0.16852E-03 4728 0.869E-02 0.157E-01 RMM: 5 -0.372697529352E+03 0.90586E-04 -0.29237E-04 4034 0.457E-02 0.137E-01 RMM: 6 -0.372697413367E+03 0.11598E-03 -0.10097E-04 3811 0.278E-02 0.578E-02 RMM: 7 -0.372697452920E+03 -0.39553E-04 -0.66785E-05 3484 0.208E-02 0.109E-01 RMM: 8 -0.372697378666E+03 0.74254E-04 -0.49245E-05 3221 0.213E-02 0.305E-02 RMM: 9 -0.372697378280E+03 0.38533E-06 -0.15883E-05 2474 0.114E-02 4638 T= 7162. E= 0.69634409E+03 F= 0.63709342E+03 E0= 0.66806478E+03 EK= 0.59251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373394382515E+03 -0.69700E+00 -0.25323E-01 8676 0.245E+01 0.258E-01 RMM: 2 -0.373417545277E+03 -0.23163E-01 -0.13868E-01 5358 0.756E-01 0.130E+00 RMM: 3 -0.373404965808E+03 0.12579E-01 -0.10309E-02 5378 0.224E-01 0.257E-01 RMM: 4 -0.373404580794E+03 0.38501E-03 -0.11441E-03 4714 0.716E-02 0.134E-01 RMM: 5 -0.373404514491E+03 0.66303E-04 -0.22253E-04 3898 0.390E-02 0.128E-01 RMM: 6 -0.373404432523E+03 0.81967E-04 -0.95281E-05 3715 0.269E-02 0.749E-02 RMM: 7 -0.373404497807E+03 -0.65284E-04 -0.10436E-04 3859 0.268E-02 0.128E-01 RMM: 8 -0.373404395137E+03 0.10267E-03 -0.55989E-05 3344 0.223E-02 0.394E-02 RMM: 9 -0.373404388911E+03 0.62255E-05 -0.13403E-05 2484 0.105E-02 4639 T= 6772. E= 0.69230727E+03 F= 0.63628168E+03 E0= 0.66729503E+03 EK= 0.56026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373757248967E+03 -0.35285E+00 -0.23396E-01 8616 0.237E+01 0.226E-01 RMM: 2 -0.373774785159E+03 -0.17536E-01 -0.12763E-01 5567 0.694E-01 0.975E-01 RMM: 3 -0.373766628340E+03 0.81568E-02 -0.78107E-03 5357 0.197E-01 0.182E-01 RMM: 4 -0.373766640238E+03 -0.11898E-04 -0.93216E-04 4674 0.658E-02 0.200E-01 RMM: 5 -0.373766410801E+03 0.22944E-03 -0.19141E-04 3885 0.354E-02 0.114E-01 RMM: 6 -0.373766347357E+03 0.63444E-04 -0.81988E-05 3582 0.254E-02 0.652E-02 RMM: 7 -0.373766404346E+03 -0.56989E-04 -0.77574E-05 3632 0.230E-02 0.120E-01 RMM: 8 -0.373766312694E+03 0.91652E-04 -0.46631E-05 3203 0.207E-02 0.268E-02 RMM: 9 -0.373766310847E+03 0.18475E-05 -0.10353E-05 2460 0.905E-03 4640 T= 6256. E= 0.68755896E+03 F= 0.63580691E+03 E0= 0.66685032E+03 EK= 0.51752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373844180593E+03 -0.77868E-01 -0.21346E-01 8688 0.228E+01 0.238E-01 RMM: 2 -0.373861024735E+03 -0.16844E-01 -0.12199E-01 5326 0.697E-01 0.969E-01 RMM: 3 -0.373853267224E+03 0.77575E-02 -0.82842E-03 5404 0.197E-01 0.189E-01 RMM: 4 -0.373853315012E+03 -0.47789E-04 -0.10449E-03 4693 0.733E-02 0.229E-01 RMM: 5 -0.373853021066E+03 0.29395E-03 -0.23922E-04 3904 0.392E-02 0.119E-01 RMM: 6 -0.373852944490E+03 0.76576E-04 -0.73778E-05 3519 0.246E-02 0.578E-02 RMM: 7 -0.373853000957E+03 -0.56467E-04 -0.77624E-05 3700 0.227E-02 0.115E-01 RMM: 8 -0.373852920074E+03 0.80883E-04 -0.41340E-05 3090 0.196E-02 0.330E-02 RMM: 9 -0.373852914686E+03 0.53879E-05 -0.10726E-05 2456 0.937E-03 4641 T= 5807. E= 0.68363646E+03 F= 0.63559829E+03 E0= 0.66665929E+03 EK= 0.48038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373731323579E+03 0.12160E+00 -0.19234E-01 8772 0.221E+01 0.240E-01 RMM: 2 -0.373746379025E+03 -0.15055E-01 -0.10609E-01 5382 0.643E-01 0.966E-01 RMM: 3 -0.373738932635E+03 0.74464E-02 -0.70108E-03 5404 0.182E-01 0.167E-01 RMM: 4 -0.373739138676E+03 -0.20604E-03 -0.94444E-04 4657 0.689E-02 0.262E-01 RMM: 5 -0.373738738365E+03 0.40031E-03 -0.23661E-04 3899 0.395E-02 0.115E-01 RMM: 6 -0.373738668266E+03 0.70099E-04 -0.78484E-05 3559 0.248E-02 0.597E-02 RMM: 7 -0.373738720300E+03 -0.52034E-04 -0.74945E-05 3616 0.221E-02 0.114E-01 RMM: 8 -0.373738639683E+03 0.80618E-04 -0.42850E-05 3121 0.200E-02 0.287E-02 RMM: 9 -0.373738636368E+03 0.33147E-05 -0.10206E-05 2458 0.917E-03 4642 T= 5553. E= 0.68152323E+03 F= 0.63558197E+03 E0= 0.66664802E+03 EK= 0.45941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373466876955E+03 0.27176E+00 -0.18098E-01 8688 0.219E+01 0.224E-01 RMM: 2 -0.373480607111E+03 -0.13730E-01 -0.94997E-02 5395 0.603E-01 0.921E-01 RMM: 3 -0.373473702380E+03 0.69047E-02 -0.59946E-03 5462 0.166E-01 0.158E-01 RMM: 4 -0.373473840842E+03 -0.13846E-03 -0.85086E-04 4666 0.665E-02 0.234E-01 RMM: 5 -0.373473541354E+03 0.29949E-03 -0.22422E-04 3888 0.383E-02 0.121E-01 RMM: 6 -0.373473462271E+03 0.79083E-04 -0.81754E-05 3587 0.255E-02 0.599E-02 RMM: 7 -0.373473509555E+03 -0.47285E-04 -0.71736E-05 3590 0.224E-02 0.109E-01 RMM: 8 -0.373473435473E+03 0.74082E-04 -0.37851E-05 3059 0.193E-02 0.310E-02 RMM: 9 -0.373473430955E+03 0.45185E-05 -0.91440E-06 2453 0.850E-03 4643 T= 5551. E= 0.68163305E+03 F= 0.63571020E+03 E0= 0.66676859E+03 EK= 0.45923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373064577518E+03 0.40886E+00 -0.18173E-01 8916 0.221E+01 0.208E-01 RMM: 2 -0.373076943220E+03 -0.12366E-01 -0.91068E-02 5479 0.592E-01 0.848E-01 RMM: 3 -0.373071219868E+03 0.57234E-02 -0.55758E-03 5473 0.159E-01 0.154E-01 RMM: 4 -0.373071281853E+03 -0.61985E-04 -0.71132E-04 4649 0.588E-02 0.203E-01 RMM: 5 -0.373071054467E+03 0.22739E-03 -0.20624E-04 3882 0.374E-02 0.112E-01 RMM: 6 -0.373071002776E+03 0.51691E-04 -0.96285E-05 3709 0.270E-02 0.749E-02 RMM: 7 -0.373071034714E+03 -0.31938E-04 -0.66164E-05 3484 0.220E-02 0.107E-01 RMM: 8 -0.373070962705E+03 0.72009E-04 -0.38449E-05 3077 0.194E-02 0.296E-02 RMM: 9 -0.373070960473E+03 0.22313E-05 -0.10575E-05 2462 0.921E-03 4644 T= 5803. E= 0.68397641E+03 F= 0.63597260E+03 E0= 0.66701008E+03 EK= 0.48004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372505680443E+03 0.56528E+00 -0.18817E-01 8976 0.228E+01 0.200E-01 RMM: 2 -0.372518964814E+03 -0.13284E-01 -0.95589E-02 5507 0.615E-01 0.871E-01 RMM: 3 -0.372512785749E+03 0.61791E-02 -0.58303E-03 5622 0.158E-01 0.161E-01 RMM: 4 -0.372512705390E+03 0.80360E-04 -0.67228E-04 4673 0.571E-02 0.154E-01 RMM: 5 -0.372512566214E+03 0.13918E-03 -0.20011E-04 3881 0.378E-02 0.101E-01 RMM: 6 -0.372512549950E+03 0.16264E-04 -0.96950E-05 3723 0.266E-02 4645 T= 6258. E= 0.68815753E+03 F= 0.63639103E+03 E0= 0.66739339E+03 EK= 0.51767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371756186387E+03 0.75638E+00 -0.20504E-01 8868 0.236E+01 0.358E-01 RMM: 2 -0.371788673115E+03 -0.32487E-01 -0.11474E-01 5335 0.721E-01 0.192E+00 RMM: 3 -0.371764557511E+03 0.24116E-01 -0.15027E-02 5364 0.288E-01 0.358E-01 RMM: 4 -0.371763768425E+03 0.78909E-03 -0.16876E-03 4722 0.816E-02 0.144E-01 RMM: 5 -0.371763731753E+03 0.36672E-04 -0.35553E-04 4150 0.493E-02 0.166E-01 RMM: 6 -0.371763587338E+03 0.14441E-03 -0.22892E-04 3893 0.414E-02 0.978E-02 RMM: 7 -0.371763673801E+03 -0.86463E-04 -0.15798E-04 3890 0.334E-02 0.153E-01 RMM: 8 -0.371763537917E+03 0.13588E-03 -0.82657E-05 3664 0.269E-02 0.657E-02 RMM: 9 -0.371763516596E+03 0.21321E-04 -0.24783E-05 2740 0.145E-02 0.373E-02 RMM: 10 -0.371763520507E+03 -0.39110E-05 -0.15788E-05 2497 0.119E-02 4646 T= 6792. E= 0.69319187E+03 F= 0.63700215E+03 E0= 0.66795495E+03 EK= 0.56190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370799545267E+03 0.96397E+00 -0.22164E-01 8820 0.244E+01 0.351E-01 RMM: 2 -0.370833163988E+03 -0.33619E-01 -0.12413E-01 5263 0.752E-01 0.191E+00 RMM: 3 -0.370809188769E+03 0.23975E-01 -0.14819E-02 5373 0.283E-01 0.439E-01 RMM: 4 -0.370807871786E+03 0.13170E-02 -0.20619E-03 4767 0.980E-02 0.126E-01 RMM: 5 -0.370807895906E+03 -0.24120E-04 -0.34560E-04 4049 0.470E-02 0.156E-01 RMM: 6 -0.370807737774E+03 0.15813E-03 -0.12323E-04 3872 0.307E-02 0.566E-02 RMM: 7 -0.370807782551E+03 -0.44777E-04 -0.60057E-05 3375 0.208E-02 0.104E-01 RMM: 8 -0.370807717610E+03 0.64941E-04 -0.38804E-05 3002 0.197E-02 0.399E-02 RMM: 9 -0.370807709692E+03 0.79172E-05 -0.11840E-05 2472 0.103E-02 4647 T= 7212. E= 0.69748539E+03 F= 0.63782223E+03 E0= 0.66871124E+03 EK= 0.59663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369678910249E+03 0.11288E+01 -0.23185E-01 8616 0.247E+01 0.241E-01 RMM: 2 -0.369695836882E+03 -0.16927E-01 -0.12528E-01 5395 0.723E-01 0.972E-01 RMM: 3 -0.369688560642E+03 0.72762E-02 -0.91804E-03 5584 0.199E-01 0.201E-01 RMM: 4 -0.369688409467E+03 0.15118E-03 -0.89264E-04 4694 0.647E-02 0.177E-01 RMM: 5 -0.369688260062E+03 0.14940E-03 -0.23314E-04 3893 0.396E-02 0.134E-01 RMM: 6 -0.369688182399E+03 0.77663E-04 -0.12625E-04 3873 0.308E-02 0.842E-02 RMM: 7 -0.369688249246E+03 -0.66847E-04 -0.97774E-05 3807 0.262E-02 0.136E-01 RMM: 8 -0.369688132720E+03 0.11653E-03 -0.57360E-05 3384 0.226E-02 0.380E-02 RMM: 9 -0.369688128840E+03 0.38805E-05 -0.14957E-05 2500 0.111E-02 4648 T= 7330. E= 0.69944679E+03 F= 0.63880653E+03 E0= 0.66962203E+03 EK= 0.60640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368507323414E+03 0.11808E+01 -0.23854E-01 8556 0.244E+01 0.246E-01 RMM: 2 -0.368526972195E+03 -0.19649E-01 -0.14213E-01 5331 0.790E-01 0.105E+00 RMM: 3 -0.368518640748E+03 0.83314E-02 -0.10649E-02 5558 0.218E-01 0.212E-01 RMM: 4 -0.368518545985E+03 0.94764E-04 -0.10696E-03 4717 0.730E-02 0.209E-01 RMM: 5 -0.368518360844E+03 0.18514E-03 -0.23659E-04 3901 0.391E-02 0.141E-01 RMM: 6 -0.368518242756E+03 0.11809E-03 -0.94745E-05 3665 0.276E-02 0.564E-02 RMM: 7 -0.368518300051E+03 -0.57295E-04 -0.68673E-05 3492 0.223E-02 0.113E-01 RMM: 8 -0.368518218653E+03 0.81398E-04 -0.43264E-05 3102 0.202E-02 0.339E-02 RMM: 9 -0.368518212711E+03 0.59423E-05 -0.11632E-05 2469 0.991E-03 4649 T= 7095. E= 0.69853754E+03 F= 0.63983878E+03 E0= 0.67057658E+03 EK= 0.58699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367443012454E+03 0.10752E+01 -0.21177E-01 8568 0.237E+01 0.262E-01 RMM: 2 -0.367460025020E+03 -0.17013E-01 -0.13197E-01 5349 0.766E-01 0.940E-01 RMM: 3 -0.367453103951E+03 0.69211E-02 -0.95997E-03 5551 0.206E-01 0.198E-01 RMM: 4 -0.367453248225E+03 -0.14427E-03 -0.12158E-03 4716 0.804E-02 0.270E-01 RMM: 5 -0.367452833340E+03 0.41489E-03 -0.29730E-04 3974 0.432E-02 0.130E-01 RMM: 6 -0.367452739158E+03 0.94183E-04 -0.78476E-05 3582 0.250E-02 0.578E-02 RMM: 7 -0.367452794971E+03 -0.55813E-04 -0.83485E-05 3688 0.235E-02 0.115E-01 RMM: 8 -0.367452712939E+03 0.82032E-04 -0.52804E-05 3256 0.213E-02 0.350E-02 RMM: 9 -0.367452707718E+03 0.52208E-05 -0.12781E-05 2478 0.104E-02 4650 T= 6636. E= 0.69565678E+03 F= 0.64076135E+03 E0= 0.67142374E+03 EK= 0.54895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366625368915E+03 0.82734E+00 -0.18238E-01 8424 0.228E+01 0.262E-01 RMM: 2 -0.366639950813E+03 -0.14582E-01 -0.11465E-01 5337 0.724E-01 0.893E-01 RMM: 3 -0.366633934163E+03 0.60166E-02 -0.85112E-03 5508 0.194E-01 0.212E-01 RMM: 4 -0.366634193537E+03 -0.25937E-03 -0.12274E-03 4700 0.810E-02 0.305E-01 RMM: 5 -0.366633657196E+03 0.53634E-03 -0.33318E-04 4023 0.455E-02 0.127E-01 RMM: 6 -0.366633562717E+03 0.94479E-04 -0.80521E-05 3585 0.251E-02 0.529E-02 RMM: 7 -0.366633608224E+03 -0.45507E-04 -0.61731E-05 3407 0.209E-02 0.105E-01 RMM: 8 -0.366633537888E+03 0.70336E-04 -0.42467E-05 3050 0.194E-02 0.291E-02 RMM: 9 -0.366633537821E+03 0.67277E-07 -0.14067E-05 2481 0.107E-02 4651 T= 6159. E= 0.69238466E+03 F= 0.64143036E+03 E0= 0.67202407E+03 EK= 0.50954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366144100768E+03 0.48944E+00 -0.15548E-01 8316 0.221E+01 0.255E-01 RMM: 2 -0.366155004874E+03 -0.10904E-01 -0.90579E-02 5279 0.662E-01 0.762E-01 RMM: 3 -0.366150738955E+03 0.42659E-02 -0.71928E-03 5611 0.175E-01 0.202E-01 RMM: 4 -0.366150938842E+03 -0.19989E-03 -0.10267E-03 4652 0.758E-02 0.288E-01 RMM: 5 -0.366150446358E+03 0.49248E-03 -0.29846E-04 3934 0.430E-02 0.119E-01 RMM: 6 -0.366150368808E+03 0.77550E-04 -0.69458E-05 3489 0.237E-02 0.548E-02 RMM: 7 -0.366150409733E+03 -0.40925E-04 -0.65962E-05 3494 0.214E-02 0.104E-01 RMM: 8 -0.366150340095E+03 0.69638E-04 -0.40047E-05 3036 0.194E-02 0.242E-02 RMM: 9 -0.366150340596E+03 -0.50069E-06 -0.11851E-05 2465 0.976E-03 4652 T= 5835. E= 0.69002752E+03 F= 0.64175595E+03 E0= 0.67229040E+03 EK= 0.48272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366029345106E+03 0.12099E+00 -0.13773E-01 8076 0.218E+01 0.235E-01 RMM: 2 -0.366038531063E+03 -0.91860E-02 -0.74658E-02 5351 0.596E-01 0.724E-01 RMM: 3 -0.366034650153E+03 0.38809E-02 -0.56723E-03 5531 0.157E-01 0.178E-01 RMM: 4 -0.366034854077E+03 -0.20392E-03 -0.80122E-04 4636 0.663E-02 0.262E-01 RMM: 5 -0.366034406816E+03 0.44726E-03 -0.24170E-04 3890 0.384E-02 0.100E-01 RMM: 6 -0.366034364216E+03 0.42600E-04 -0.75110E-05 3548 0.242E-02 0.686E-02 RMM: 7 -0.366034404182E+03 -0.39966E-04 -0.62736E-05 3437 0.212E-02 0.110E-01 RMM: 8 -0.366034325481E+03 0.78702E-04 -0.37456E-05 3037 0.192E-02 0.230E-02 RMM: 9 -0.366034325243E+03 0.23761E-06 -0.99962E-06 2455 0.881E-03 4653 T= 5750. E= 0.68927255E+03 F= 0.64170840E+03 E0= 0.67219333E+03 EK= 0.47564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366266327476E+03 -0.23200E+00 -0.13525E-01 8256 0.220E+01 0.225E-01 RMM: 2 -0.366275662042E+03 -0.93346E-02 -0.72976E-02 5320 0.594E-01 0.752E-01 RMM: 3 -0.366271631422E+03 0.40306E-02 -0.59905E-03 5669 0.156E-01 0.181E-01 RMM: 4 -0.366271608847E+03 0.22575E-04 -0.69005E-04 4631 0.610E-02 0.209E-01 RMM: 5 -0.366271366633E+03 0.24221E-03 -0.22765E-04 3883 0.381E-02 0.121E-01 RMM: 6 -0.366271305670E+03 0.60963E-04 -0.11343E-04 3860 0.294E-02 0.775E-02 RMM: 7 -0.366271350393E+03 -0.44723E-04 -0.67378E-05 3513 0.223E-02 0.120E-01 RMM: 8 -0.366271257932E+03 0.92461E-04 -0.38127E-05 3040 0.193E-02 0.270E-02 RMM: 9 -0.366271256961E+03 0.97092E-06 -0.11126E-05 2466 0.925E-03 4654 T= 5919. E= 0.69026979E+03 F= 0.64130466E+03 E0= 0.67174968E+03 EK= 0.48965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366807153852E+03 -0.53590E+00 -0.14437E-01 8316 0.226E+01 0.215E-01 RMM: 2 -0.366819233886E+03 -0.12080E-01 -0.86091E-02 5287 0.639E-01 0.884E-01 RMM: 3 -0.366813746909E+03 0.54870E-02 -0.71999E-03 5600 0.170E-01 0.184E-01 RMM: 4 -0.366813599431E+03 0.14748E-03 -0.68395E-04 4633 0.591E-02 0.158E-01 RMM: 5 -0.366813432808E+03 0.16662E-03 -0.22348E-04 3893 0.395E-02 0.107E-01 RMM: 6 -0.366813420471E+03 0.12337E-04 -0.11590E-04 3869 0.288E-02 4655 T= 6298. E= 0.69269528E+03 F= 0.64059518E+03 E0= 0.67100909E+03 EK= 0.52100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367577158638E+03 -0.76373E+00 -0.15810E-01 8412 0.234E+01 0.408E-01 RMM: 2 -0.367619118192E+03 -0.41960E-01 -0.10814E-01 5314 0.752E-01 0.228E+00 RMM: 3 -0.367584468833E+03 0.34649E-01 -0.17714E-02 5342 0.325E-01 0.361E-01 RMM: 4 -0.367583668938E+03 0.79990E-03 -0.19374E-03 4733 0.847E-02 0.159E-01 RMM: 5 -0.367583584816E+03 0.84122E-04 -0.40021E-04 4436 0.530E-02 0.176E-01 RMM: 6 -0.367583422446E+03 0.16237E-03 -0.25359E-04 3912 0.424E-02 0.112E-01 RMM: 7 -0.367583546410E+03 -0.12396E-03 -0.20899E-04 3897 0.381E-02 0.182E-01 RMM: 8 -0.367583338115E+03 0.20830E-03 -0.12020E-04 3856 0.312E-02 0.553E-02 RMM: 9 -0.367583327689E+03 0.10426E-04 -0.28977E-05 2933 0.152E-02 4656 T= 6770. E= 0.69566918E+03 F= 0.63965906E+03 E0= 0.67005001E+03 EK= 0.56010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368476960580E+03 -0.89362E+00 -0.17130E-01 8388 0.242E+01 0.374E-01 RMM: 2 -0.368517067980E+03 -0.40107E-01 -0.12123E-01 5300 0.789E-01 0.217E+00 RMM: 3 -0.368485931617E+03 0.31136E-01 -0.17247E-02 5352 0.316E-01 0.434E-01 RMM: 4 -0.368484665667E+03 0.12659E-02 -0.20944E-03 4781 0.964E-02 0.135E-01 RMM: 5 -0.368484624360E+03 0.41308E-04 -0.35531E-04 4238 0.496E-02 0.153E-01 RMM: 6 -0.368484464410E+03 0.15995E-03 -0.12582E-04 3874 0.301E-02 0.682E-02 RMM: 7 -0.368484539601E+03 -0.75191E-04 -0.11098E-04 3839 0.261E-02 0.140E-01 RMM: 8 -0.368484412444E+03 0.12716E-03 -0.73759E-05 3577 0.251E-02 0.317E-02 RMM: 9 -0.368484408869E+03 0.35749E-05 -0.13764E-05 2494 0.106E-02 4657 T= 7156. E= 0.69778921E+03 F= 0.63859258E+03 E0= 0.66896755E+03 EK= 0.59197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369413075080E+03 -0.92866E+00 -0.18120E-01 8496 0.247E+01 0.279E-01 RMM: 2 -0.369435107439E+03 -0.22032E-01 -0.11708E-01 5302 0.765E-01 0.140E+00 RMM: 3 -0.369422143157E+03 0.12964E-01 -0.11281E-02 5441 0.228E-01 0.261E-01 RMM: 4 -0.369421731198E+03 0.41196E-03 -0.11583E-03 4700 0.716E-02 0.148E-01 RMM: 5 -0.369421571286E+03 0.15991E-03 -0.28794E-04 3955 0.458E-02 0.124E-01 RMM: 6 -0.369421548967E+03 0.22319E-04 -0.17399E-04 3883 0.349E-02 0.127E-01 RMM: 7 -0.369421576968E+03 -0.28000E-04 -0.16115E-04 3892 0.335E-02 0.152E-01 RMM: 8 -0.369421425720E+03 0.15125E-03 -0.86326E-05 3639 0.262E-02 0.431E-02 RMM: 9 -0.369421421515E+03 0.42052E-05 -0.21448E-05 2569 0.132E-02 4658 T= 7276. E= 0.69767760E+03 F= 0.63748870E+03 E0= 0.66785419E+03 EK= 0.60189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370320830336E+03 -0.89940E+00 -0.18321E-01 8220 0.246E+01 0.277E-01 RMM: 2 -0.370341438297E+03 -0.20608E-01 -0.11521E-01 5245 0.759E-01 0.132E+00 RMM: 3 -0.370329742269E+03 0.11696E-01 -0.11491E-02 5494 0.228E-01 0.246E-01 RMM: 4 -0.370329415208E+03 0.32706E-03 -0.11460E-03 4700 0.727E-02 0.163E-01 RMM: 5 -0.370329270081E+03 0.14513E-03 -0.28250E-04 3953 0.442E-02 0.135E-01 RMM: 6 -0.370329187278E+03 0.82803E-04 -0.16217E-04 3879 0.347E-02 0.892E-02 RMM: 7 -0.370329260558E+03 -0.73280E-04 -0.10577E-04 3863 0.271E-02 0.144E-01 RMM: 8 -0.370329121554E+03 0.13900E-03 -0.53352E-05 3327 0.217E-02 0.318E-02 RMM: 9 -0.370329120862E+03 0.69242E-06 -0.15328E-05 2503 0.111E-02 4659 T= 7070. E= 0.69489409E+03 F= 0.63640908E+03 E0= 0.66676979E+03 EK= 0.58485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371181219993E+03 -0.85210E+00 -0.17395E-01 8436 0.241E+01 0.270E-01 RMM: 2 -0.371199413780E+03 -0.18194E-01 -0.10029E-01 5327 0.680E-01 0.125E+00 RMM: 3 -0.371188580068E+03 0.10834E-01 -0.85623E-03 5434 0.199E-01 0.216E-01 RMM: 4 -0.371188508546E+03 0.71522E-04 -0.11569E-03 4641 0.771E-02 0.216E-01 RMM: 5 -0.371188290803E+03 0.21774E-03 -0.30588E-04 3952 0.448E-02 0.158E-01 RMM: 6 -0.371188153626E+03 0.13718E-03 -0.14993E-04 3881 0.332E-02 0.799E-02 RMM: 7 -0.371188201838E+03 -0.48212E-04 -0.11488E-04 3868 0.286E-02 0.123E-01 RMM: 8 -0.371188102040E+03 0.99798E-04 -0.56344E-05 3383 0.225E-02 0.269E-02 RMM: 9 -0.371188103058E+03 -0.10176E-05 -0.11999E-05 2479 0.984E-03 4660 T= 6640. E= 0.69029804E+03 F= 0.63536929E+03 E0= 0.66572841E+03 EK= 0.54929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372005500438E+03 -0.81740E+00 -0.16437E-01 8376 0.234E+01 0.271E-01 RMM: 2 -0.372019422630E+03 -0.13922E-01 -0.89530E-02 5284 0.647E-01 0.103E+00 RMM: 3 -0.372011847634E+03 0.75750E-02 -0.77409E-03 5439 0.191E-01 0.220E-01 RMM: 4 -0.372011972273E+03 -0.12464E-03 -0.11310E-03 4646 0.774E-02 0.271E-01 RMM: 5 -0.372011555748E+03 0.41652E-03 -0.32288E-04 3956 0.448E-02 0.143E-01 RMM: 6 -0.372011447648E+03 0.10810E-03 -0.12690E-04 3877 0.312E-02 0.727E-02 RMM: 7 -0.372011509571E+03 -0.61923E-04 -0.85751E-05 3668 0.242E-02 0.127E-01 RMM: 8 -0.372011405704E+03 0.10387E-03 -0.47976E-05 3235 0.215E-02 0.284E-02 RMM: 9 -0.372011404144E+03 0.15599E-05 -0.11702E-05 2472 0.975E-03 4661 T= 6171. E= 0.68540606E+03 F= 0.63435343E+03 E0= 0.66471201E+03 EK= 0.51053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372817025155E+03 -0.80562E+00 -0.15335E-01 8364 0.227E+01 0.262E-01 RMM: 2 -0.372827472518E+03 -0.10447E-01 -0.78845E-02 5410 0.588E-01 0.823E-01 RMM: 3 -0.372822346362E+03 0.51262E-02 -0.56558E-03 5510 0.160E-01 0.209E-01 RMM: 4 -0.372822594486E+03 -0.24812E-03 -0.11029E-03 4625 0.795E-02 0.297E-01 RMM: 5 -0.372822080381E+03 0.51411E-03 -0.36709E-04 4029 0.493E-02 0.142E-01 RMM: 6 -0.372821971582E+03 0.10880E-03 -0.11664E-04 3842 0.293E-02 0.709E-02 RMM: 7 -0.372822004693E+03 -0.33112E-04 -0.75571E-05 3587 0.237E-02 0.107E-01 RMM: 8 -0.372821930366E+03 0.74328E-04 -0.39110E-05 3099 0.197E-02 0.246E-02 RMM: 9 -0.372821931663E+03 -0.12980E-05 -0.10444E-05 2467 0.904E-03 4662 T= 5823. E= 0.68151101E+03 F= 0.63333771E+03 E0= 0.66369533E+03 EK= 0.48173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373627590160E+03 -0.80566E+00 -0.14865E-01 8496 0.224E+01 0.260E-01 RMM: 2 -0.373638831543E+03 -0.11241E-01 -0.73402E-02 5333 0.571E-01 0.919E-01 RMM: 3 -0.373632455382E+03 0.63762E-02 -0.57788E-03 5419 0.165E-01 0.187E-01 RMM: 4 -0.373632817209E+03 -0.36183E-03 -0.11231E-03 4632 0.798E-02 0.315E-01 RMM: 5 -0.373632191540E+03 0.62567E-03 -0.39687E-04 4171 0.515E-02 0.111E-01 RMM: 6 -0.373632153076E+03 0.38463E-04 -0.11588E-04 3861 0.289E-02 0.865E-02 RMM: 7 -0.373632156754E+03 -0.36776E-05 -0.56214E-05 3374 0.212E-02 4663 T= 5683. E= 0.67932507E+03 F= 0.63231113E+03 E0= 0.66266607E+03 EK= 0.47014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374428676176E+03 -0.79652E+00 -0.15104E-01 8688 0.225E+01 0.255E-01 RMM: 2 -0.374437096301E+03 -0.84201E-02 -0.70117E-02 5374 0.557E-01 0.688E-01 RMM: 3 -0.374433366831E+03 0.37295E-02 -0.49245E-03 5439 0.150E-01 0.209E-01 RMM: 4 -0.374433672399E+03 -0.30557E-03 -0.10396E-03 4630 0.777E-02 0.319E-01 RMM: 5 -0.374433016034E+03 0.65636E-03 -0.48632E-04 4476 0.580E-02 0.106E-01 RMM: 6 -0.374433042467E+03 -0.26433E-04 -0.16880E-04 3878 0.331E-02 0.129E-01 RMM: 7 -0.374432979349E+03 0.63118E-04 -0.76289E-05 3612 0.262E-02 0.923E-02 RMM: 8 -0.374432925406E+03 0.53943E-04 -0.28783E-05 2917 0.163E-02 0.276E-02 RMM: 9 -0.374432930738E+03 -0.53310E-05 -0.14824E-05 2492 0.109E-02 4664 T= 5774. E= 0.67905604E+03 F= 0.63128621E+03 E0= 0.66163464E+03 EK= 0.47770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375188438642E+03 -0.75551E+00 -0.16054E-01 8688 0.230E+01 0.207E-01 RMM: 2 -0.375197116031E+03 -0.86774E-02 -0.73155E-02 5305 0.575E-01 0.639E-01 RMM: 3 -0.375193755336E+03 0.33607E-02 -0.51414E-03 5541 0.149E-01 0.156E-01 RMM: 4 -0.375193895520E+03 -0.14018E-03 -0.72419E-04 4632 0.654E-02 0.241E-01 RMM: 5 -0.375193530330E+03 0.36519E-03 -0.31913E-04 4080 0.482E-02 0.102E-01 RMM: 6 -0.375193541140E+03 -0.10810E-04 -0.14873E-04 3878 0.325E-02 4665 T= 6070. E= 0.68051241E+03 F= 0.63029777E+03 E0= 0.66063570E+03 EK= 0.50215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375857645024E+03 -0.66411E+00 -0.16996E-01 8340 0.237E+01 0.357E-01 RMM: 2 -0.375885365198E+03 -0.27720E-01 -0.85060E-02 5240 0.666E-01 0.183E+00 RMM: 3 -0.375863126398E+03 0.22239E-01 -0.11918E-02 5356 0.260E-01 0.270E-01 RMM: 4 -0.375862869009E+03 0.25739E-03 -0.14793E-03 4668 0.825E-02 0.222E-01 RMM: 5 -0.375862745724E+03 0.12328E-03 -0.70241E-04 4602 0.721E-02 0.222E-01 RMM: 6 -0.375862504913E+03 0.24081E-03 -0.34943E-04 4031 0.485E-02 0.120E-01 RMM: 7 -0.375862582553E+03 -0.77640E-04 -0.17780E-04 3888 0.373E-02 0.166E-01 RMM: 8 -0.375862403002E+03 0.17955E-03 -0.99436E-05 3788 0.294E-02 0.441E-02 RMM: 9 -0.375862404501E+03 -0.14987E-05 -0.23193E-05 2692 0.141E-02 4666 T= 6488. E= 0.68307243E+03 F= 0.62940065E+03 E0= 0.65972241E+03 EK= 0.53672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376375907699E+03 -0.51350E+00 -0.18024E-01 8124 0.244E+01 0.325E-01 RMM: 2 -0.376407598288E+03 -0.31691E-01 -0.93843E-02 5156 0.685E-01 0.192E+00 RMM: 3 -0.376382341361E+03 0.25257E-01 -0.12418E-02 5363 0.266E-01 0.271E-01 RMM: 4 -0.376381949189E+03 0.39217E-03 -0.15051E-03 4701 0.825E-02 0.177E-01 RMM: 5 -0.376381926190E+03 0.23000E-04 -0.39338E-04 4519 0.543E-02 0.191E-01 RMM: 6 -0.376381695529E+03 0.23066E-03 -0.17257E-04 3881 0.350E-02 0.619E-02 RMM: 7 -0.376381768712E+03 -0.73183E-04 -0.92372E-05 3703 0.257E-02 0.128E-01 RMM: 8 -0.376381662513E+03 0.10620E-03 -0.47219E-05 3254 0.211E-02 0.274E-02 RMM: 9 -0.376381661828E+03 0.68459E-06 -0.10546E-05 2476 0.905E-03 4667 T= 6889. E= 0.68564362E+03 F= 0.62865391E+03 E0= 0.65895400E+03 EK= 0.56990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376701647128E+03 -0.31998E+00 -0.18883E-01 8016 0.249E+01 0.291E-01 RMM: 2 -0.376721059137E+03 -0.19412E-01 -0.10378E-01 5044 0.726E-01 0.130E+00 RMM: 3 -0.376709423794E+03 0.11635E-01 -0.10906E-02 5390 0.231E-01 0.245E-01 RMM: 4 -0.376709261370E+03 0.16242E-03 -0.12888E-03 4732 0.801E-02 0.218E-01 RMM: 5 -0.376709028922E+03 0.23245E-03 -0.52370E-04 4585 0.625E-02 0.161E-01 RMM: 6 -0.376708929997E+03 0.98925E-04 -0.19988E-04 3877 0.364E-02 0.111E-01 RMM: 7 -0.376708927536E+03 0.24612E-05 -0.11172E-04 3864 0.310E-02 4668 T= 7112. E= 0.68693211E+03 F= 0.62809862E+03 E0= 0.65837138E+03 EK= 0.58833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376831988178E+03 -0.12306E+00 -0.19090E-01 7848 0.249E+01 0.297E-01 RMM: 2 -0.376845167941E+03 -0.13180E-01 -0.10004E-01 5050 0.712E-01 0.909E-01 RMM: 3 -0.376839210643E+03 0.59573E-02 -0.93691E-03 5456 0.210E-01 0.245E-01 RMM: 4 -0.376839407523E+03 -0.19688E-03 -0.13831E-03 4838 0.890E-02 0.325E-01 RMM: 5 -0.376838842707E+03 0.56482E-03 -0.60048E-04 4596 0.645E-02 0.177E-01 RMM: 6 -0.376838698730E+03 0.14398E-03 -0.24707E-04 3903 0.407E-02 0.106E-01 RMM: 7 -0.376838742270E+03 -0.43540E-04 -0.12550E-04 3876 0.319E-02 0.140E-01 RMM: 8 -0.376838617947E+03 0.12432E-03 -0.54763E-05 3355 0.221E-02 0.383E-02 RMM: 9 -0.376838619754E+03 -0.18065E-05 -0.19559E-05 2549 0.125E-02 4669 T= 7057. E= 0.68612144E+03 F= 0.62773705E+03 E0= 0.65797747E+03 EK= 0.58384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376804025681E+03 0.34592E-01 -0.18507E-01 7968 0.245E+01 0.267E-01 RMM: 2 -0.376816782207E+03 -0.12757E-01 -0.98346E-02 4958 0.709E-01 0.863E-01 RMM: 3 -0.376811337574E+03 0.54446E-02 -0.94559E-03 5442 0.208E-01 0.198E-01 RMM: 4 -0.376811710314E+03 -0.37274E-03 -0.12089E-03 4791 0.827E-02 0.322E-01 RMM: 5 -0.376811097776E+03 0.61254E-03 -0.38638E-04 4381 0.510E-02 0.131E-01 RMM: 6 -0.376810996990E+03 0.10079E-03 -0.12205E-04 3858 0.296E-02 0.549E-02 RMM: 7 -0.376811036871E+03 -0.39881E-04 -0.46910E-05 3211 0.196E-02 0.998E-02 RMM: 8 -0.376810972817E+03 0.64053E-04 -0.26950E-05 2756 0.170E-02 0.230E-02 RMM: 9 -0.376810972474E+03 0.34311E-06 -0.79308E-06 2446 0.784E-03 4670 T= 6758. E= 0.68343203E+03 F= 0.62752478E+03 E0= 0.65772979E+03 EK= 0.55907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376689043924E+03 0.12193E+00 -0.17348E-01 7680 0.238E+01 0.327E-01 RMM: 2 -0.376701597828E+03 -0.12554E-01 -0.97248E-02 4979 0.720E-01 0.925E-01 RMM: 3 -0.376695684903E+03 0.59129E-02 -0.97024E-03 5451 0.210E-01 0.222E-01 RMM: 4 -0.376696501627E+03 -0.81672E-03 -0.17573E-03 4945 0.102E-01 0.433E-01 RMM: 5 -0.376695348894E+03 0.11527E-02 -0.65218E-04 4587 0.662E-02 0.144E-01 RMM: 6 -0.376695244633E+03 0.10426E-03 -0.14094E-04 3869 0.302E-02 0.798E-02 RMM: 7 -0.376695277121E+03 -0.32488E-04 -0.84792E-05 3698 0.250E-02 0.115E-01 RMM: 8 -0.376695189948E+03 0.87173E-04 -0.44493E-05 3212 0.203E-02 0.259E-02 RMM: 9 -0.376695194667E+03 -0.47191E-05 -0.15455E-05 2497 0.111E-02 4671 T= 6352. E= 0.67993834E+03 F= 0.62738909E+03 E0= 0.65755650E+03 EK= 0.52549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376553715447E+03 0.14147E+00 -0.15978E-01 7764 0.231E+01 0.318E-01 RMM: 2 -0.376562872610E+03 -0.91572E-02 -0.81041E-02 5044 0.652E-01 0.751E-01 RMM: 3 -0.376559084086E+03 0.37885E-02 -0.77756E-03 5402 0.189E-01 0.249E-01 RMM: 4 -0.376559897761E+03 -0.81368E-03 -0.14556E-03 4737 0.923E-02 0.441E-01 RMM: 5 -0.376558633080E+03 0.12647E-02 -0.60507E-04 4569 0.633E-02 0.113E-01 RMM: 6 -0.376558587745E+03 0.45336E-04 -0.13622E-04 3872 0.300E-02 0.861E-02 RMM: 7 -0.376558602130E+03 -0.14385E-04 -0.60428E-05 3430 0.220E-02 4672 T= 5996. E= 0.67686675E+03 F= 0.62726113E+03 E0= 0.65738911E+03 EK= 0.49606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376444881175E+03 0.11371E+00 -0.14786E-01 7728 0.225E+01 0.334E-01 RMM: 2 -0.376453464688E+03 -0.85835E-02 -0.70213E-02 5210 0.604E-01 0.809E-01 RMM: 3 -0.376449151115E+03 0.43136E-02 -0.66016E-03 5453 0.173E-01 0.253E-01 RMM: 4 -0.376449986079E+03 -0.83496E-03 -0.16207E-03 4691 0.985E-02 0.454E-01 RMM: 5 -0.376448666562E+03 0.13195E-02 -0.71090E-04 4593 0.690E-02 0.122E-01 RMM: 6 -0.376448626951E+03 0.39611E-04 -0.13729E-04 3870 0.296E-02 0.102E-01 RMM: 7 -0.376448609985E+03 0.16967E-04 -0.80452E-05 3673 0.251E-02 4673 T= 5800. E= 0.67507441E+03 F= 0.62709463E+03 E0= 0.65718373E+03 EK= 0.47980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376380502230E+03 0.68125E-01 -0.14288E-01 7920 0.223E+01 0.315E-01 RMM: 2 -0.376389692950E+03 -0.91907E-02 -0.72513E-02 5159 0.606E-01 0.824E-01 RMM: 3 -0.376385183218E+03 0.45097E-02 -0.71105E-03 5442 0.177E-01 0.246E-01 RMM: 4 -0.376385841308E+03 -0.65809E-03 -0.14830E-03 4705 0.949E-02 0.411E-01 RMM: 5 -0.376384772844E+03 0.10685E-02 -0.60645E-04 4577 0.635E-02 0.145E-01 RMM: 6 -0.376384680523E+03 0.92321E-04 -0.19881E-04 3884 0.362E-02 0.947E-02 RMM: 7 -0.376384695601E+03 -0.15078E-04 -0.77325E-05 3654 0.261E-02 4674 T= 5811. E= 0.67494554E+03 F= 0.62687366E+03 E0= 0.65692264E+03 EK= 0.48072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376353787032E+03 0.30893E-01 -0.14467E-01 8184 0.225E+01 0.314E-01 RMM: 2 -0.376364399533E+03 -0.10613E-01 -0.73101E-02 5257 0.610E-01 0.941E-01 RMM: 3 -0.376358525602E+03 0.58739E-02 -0.74488E-03 5505 0.182E-01 0.237E-01 RMM: 4 -0.376358925563E+03 -0.39996E-03 -0.13550E-03 4631 0.887E-02 0.364E-01 RMM: 5 -0.376358142533E+03 0.78303E-03 -0.63172E-04 4605 0.670E-02 0.162E-01 RMM: 6 -0.376358032847E+03 0.10969E-03 -0.21024E-04 3888 0.369E-02 0.106E-01 RMM: 7 -0.376358048209E+03 -0.15362E-04 -0.11114E-04 3870 0.304E-02 4675 T= 6025. E= 0.67645457E+03 F= 0.62661178E+03 E0= 0.65662121E+03 EK= 0.49843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376329012138E+03 0.29021E-01 -0.15306E-01 8820 0.230E+01 0.283E-01 RMM: 2 -0.376337311912E+03 -0.82998E-02 -0.72090E-02 5357 0.599E-01 0.710E-01 RMM: 3 -0.376333976474E+03 0.33354E-02 -0.63322E-03 5512 0.164E-01 0.223E-01 RMM: 4 -0.376334342812E+03 -0.36634E-03 -0.11998E-03 4630 0.862E-02 0.350E-01 RMM: 5 -0.376333586389E+03 0.75642E-03 -0.61997E-04 4605 0.663E-02 0.138E-01 RMM: 6 -0.376333583276E+03 0.31129E-05 -0.25751E-04 3893 0.408E-02 0.145E-01 RMM: 7 -0.376333486795E+03 0.96481E-04 -0.11535E-04 3873 0.335E-02 0.917E-02 RMM: 8 -0.376333436015E+03 0.50779E-04 -0.26012E-05 2856 0.155E-02 0.333E-02 RMM: 9 -0.376333442946E+03 -0.69308E-05 -0.19118E-05 2534 0.121E-02 4676 T= 6385. E= 0.67916658E+03 F= 0.62634845E+03 E0= 0.65631760E+03 EK= 0.52818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376247591825E+03 0.85844E-01 -0.16074E-01 8940 0.236E+01 0.247E-01 RMM: 2 -0.376257742908E+03 -0.10151E-01 -0.80032E-02 5390 0.633E-01 0.793E-01 RMM: 3 -0.376253497211E+03 0.42457E-02 -0.70107E-03 5667 0.167E-01 0.196E-01 RMM: 4 -0.376253505042E+03 -0.78314E-05 -0.87538E-04 4632 0.709E-02 0.243E-01 RMM: 5 -0.376253146532E+03 0.35851E-03 -0.48809E-04 4581 0.611E-02 0.127E-01 RMM: 6 -0.376253137915E+03 0.86174E-05 -0.23497E-04 3898 0.392E-02 0.127E-01 RMM: 7 -0.376253070044E+03 0.67870E-04 -0.81554E-05 3660 0.282E-02 0.838E-02 RMM: 8 -0.376253024923E+03 0.45122E-04 -0.19597E-05 2611 0.134E-02 0.258E-02 RMM: 9 -0.376253027724E+03 -0.28010E-05 -0.11614E-05 2470 0.948E-03 4677 T= 6775. E= 0.68219262E+03 F= 0.62614360E+03 E0= 0.65607342E+03 EK= 0.56049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376045305952E+03 0.20772E+00 -0.16779E-01 8880 0.242E+01 0.269E-01 RMM: 2 -0.376054921898E+03 -0.96159E-02 -0.86635E-02 5430 0.641E-01 0.682E-01 RMM: 3 -0.376051468278E+03 0.34536E-02 -0.64511E-03 5685 0.159E-01 0.203E-01 RMM: 4 -0.376051685953E+03 -0.21768E-03 -0.11698E-03 4620 0.878E-02 0.320E-01 RMM: 5 -0.376051043378E+03 0.64258E-03 -0.62348E-04 4588 0.663E-02 0.123E-01 RMM: 6 -0.376051149283E+03 -0.10591E-03 -0.23745E-04 3900 0.388E-02 0.181E-01 RMM: 7 -0.376050972485E+03 0.17680E-03 -0.12857E-04 3880 0.344E-02 0.914E-02 RMM: 8 -0.376050920519E+03 0.51966E-04 -0.33697E-05 3034 0.172E-02 0.335E-02 RMM: 9 -0.376050924447E+03 -0.39279E-05 -0.21500E-05 2527 0.133E-02 4678 T= 7044. E= 0.68433521E+03 F= 0.62606233E+03 E0= 0.65595460E+03 EK= 0.58273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375670149571E+03 0.38077E+00 -0.17170E-01 8820 0.244E+01 0.266E-01 RMM: 2 -0.375681701492E+03 -0.11552E-01 -0.93144E-02 5369 0.662E-01 0.812E-01 RMM: 3 -0.375676754461E+03 0.49470E-02 -0.68554E-03 5726 0.166E-01 0.198E-01 RMM: 4 -0.375676905970E+03 -0.15151E-03 -0.11095E-03 4629 0.829E-02 0.294E-01 RMM: 5 -0.375676377140E+03 0.52883E-03 -0.56989E-04 4597 0.646E-02 0.133E-01 RMM: 6 -0.375676391588E+03 -0.14448E-04 -0.23298E-04 3906 0.388E-02 0.145E-01 RMM: 7 -0.375676325948E+03 0.65641E-04 -0.10372E-04 3826 0.306E-02 0.112E-01 RMM: 8 -0.375676242534E+03 0.83414E-04 -0.38690E-05 3125 0.185E-02 0.291E-02 RMM: 9 -0.375676248254E+03 -0.57203E-05 -0.15142E-05 2507 0.109E-02 4679 T= 7069. E= 0.68463088E+03 F= 0.62615215E+03 E0= 0.65600990E+03 EK= 0.58479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375114800203E+03 0.56144E+00 -0.17373E-01 8628 0.242E+01 0.284E-01 RMM: 2 -0.375124339500E+03 -0.95393E-02 -0.94752E-02 5425 0.636E-01 0.583E-01 RMM: 3 -0.375121155328E+03 0.31842E-02 -0.59729E-03 5500 0.164E-01 0.241E-01 RMM: 4 -0.375121637686E+03 -0.48236E-03 -0.13127E-03 4650 0.905E-02 0.385E-01 RMM: 5 -0.375120686045E+03 0.95164E-03 -0.60712E-04 4591 0.643E-02 0.114E-01 RMM: 6 -0.375120699699E+03 -0.13654E-04 -0.20009E-04 3901 0.358E-02 0.129E-01 RMM: 7 -0.375120648936E+03 0.50763E-04 -0.84619E-05 3698 0.274E-02 0.104E-01 RMM: 8 -0.375120577903E+03 0.71033E-04 -0.32517E-05 2997 0.172E-02 0.262E-02 RMM: 9 -0.375120584014E+03 -0.61107E-05 -0.13536E-05 2494 0.101E-02 4680 T= 6837. E= 0.68297945E+03 F= 0.62641679E+03 E0= 0.65624411E+03 EK= 0.56563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374419816265E+03 0.70076E+00 -0.16883E-01 8400 0.237E+01 0.322E-01 RMM: 2 -0.374431365156E+03 -0.11549E-01 -0.96876E-02 5388 0.650E-01 0.816E-01 RMM: 3 -0.374425917324E+03 0.54478E-02 -0.68113E-03 5463 0.178E-01 0.218E-01 RMM: 4 -0.374426747737E+03 -0.83041E-03 -0.14913E-03 4670 0.947E-02 0.436E-01 RMM: 5 -0.374425529372E+03 0.12184E-02 -0.60740E-04 4572 0.642E-02 0.120E-01 RMM: 6 -0.374425505291E+03 0.24080E-04 -0.16504E-04 3877 0.320E-02 0.111E-01 RMM: 7 -0.374425481216E+03 0.24075E-04 -0.78623E-05 3637 0.254E-02 0.104E-01 RMM: 8 -0.374425411049E+03 0.70168E-04 -0.37349E-05 3082 0.186E-02 0.268E-02 RMM: 9 -0.374425416549E+03 -0.55001E-05 -0.12921E-05 2484 0.994E-03 4681 T= 6456. E= 0.68021852E+03 F= 0.62681049E+03 E0= 0.65661318E+03 EK= 0.53408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373660533273E+03 0.76488E+00 -0.16256E-01 8280 0.231E+01 0.352E-01 RMM: 2 -0.373671260456E+03 -0.10727E-01 -0.99204E-02 5285 0.674E-01 0.755E-01 RMM: 3 -0.373666950858E+03 0.43096E-02 -0.81378E-03 5465 0.192E-01 0.291E-01 RMM: 4 -0.373667838309E+03 -0.88745E-03 -0.17171E-03 4786 0.100E-01 0.485E-01 RMM: 5 -0.373666315476E+03 0.15228E-02 -0.76103E-04 4606 0.715E-02 0.133E-01 RMM: 6 -0.373666254211E+03 0.61265E-04 -0.18127E-04 3884 0.339E-02 0.101E-01 RMM: 7 -0.373666271450E+03 -0.17238E-04 -0.85008E-05 3695 0.254E-02 4682 T= 6080. E= 0.67755380E+03 F= 0.62725552E+03 E0= 0.65703888E+03 EK= 0.50298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372923319955E+03 0.74293E+00 -0.15384E-01 8040 0.226E+01 0.391E-01 RMM: 2 -0.372935875943E+03 -0.12556E-01 -0.10137E-01 5148 0.708E-01 0.953E-01 RMM: 3 -0.372929726603E+03 0.61493E-02 -0.10338E-02 5492 0.215E-01 0.288E-01 RMM: 4 -0.372930904924E+03 -0.11783E-02 -0.20930E-03 4928 0.109E-01 0.536E-01 RMM: 5 -0.372929048892E+03 0.18560E-02 -0.90215E-04 4600 0.780E-02 0.125E-01 RMM: 6 -0.372929043994E+03 0.48977E-05 -0.18721E-04 3882 0.343E-02 4683 T= 5837. E= 0.67595523E+03 F= 0.62766687E+03 E0= 0.65743649E+03 EK= 0.48288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372281634772E+03 0.64741E+00 -0.14646E-01 7860 0.224E+01 0.484E-01 RMM: 2 -0.372313146103E+03 -0.31511E-01 -0.10103E-01 5116 0.729E-01 0.198E+00 RMM: 3 -0.372287540351E+03 0.25606E-01 -0.18052E-02 5349 0.324E-01 0.438E-01 RMM: 4 -0.372286907882E+03 0.63247E-03 -0.28296E-03 5199 0.116E-01 0.332E-01 RMM: 5 -0.372286697306E+03 0.21058E-03 -0.89205E-04 4608 0.750E-02 0.313E-01 RMM: 6 -0.372286083888E+03 0.61342E-03 -0.40642E-04 4020 0.533E-02 0.912E-02 RMM: 7 -0.372286149911E+03 -0.66023E-04 -0.14026E-04 3875 0.308E-02 0.140E-01 RMM: 8 -0.372286026289E+03 0.12362E-03 -0.62138E-05 3448 0.237E-02 0.552E-02 RMM: 9 -0.372286010315E+03 0.15974E-04 -0.19196E-05 2562 0.131E-02 4684 T= 5798. E= 0.67593715E+03 F= 0.62797614E+03 E0= 0.65773484E+03 EK= 0.47961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371781358768E+03 0.50467E+00 -0.14564E-01 7668 0.225E+01 0.491E-01 RMM: 2 -0.371822787449E+03 -0.41429E-01 -0.93903E-02 5162 0.714E-01 0.235E+00 RMM: 3 -0.371786511653E+03 0.36276E-01 -0.18352E-02 5331 0.336E-01 0.466E-01 RMM: 4 -0.371785458305E+03 0.10533E-02 -0.31359E-03 5259 0.125E-01 0.293E-01 RMM: 5 -0.371785590267E+03 -0.13196E-03 -0.80410E-04 4581 0.722E-02 0.343E-01 RMM: 6 -0.371784825252E+03 0.76502E-03 -0.35900E-04 3968 0.510E-02 0.643E-02 RMM: 7 -0.371784902602E+03 -0.77350E-04 -0.13636E-04 3872 0.305E-02 0.131E-01 RMM: 8 -0.371784794846E+03 0.10776E-03 -0.56491E-05 3375 0.227E-02 0.424E-02 RMM: 9 -0.371784784954E+03 0.98920E-05 -0.11815E-05 2490 0.101E-02 4685 T= 5977. E= 0.67758406E+03 F= 0.62814123E+03 E0= 0.65789482E+03 EK= 0.49443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371434913509E+03 0.34988E+00 -0.14857E-01 7716 0.230E+01 0.370E-01 RMM: 2 -0.371454372998E+03 -0.19459E-01 -0.84328E-02 5238 0.653E-01 0.145E+00 RMM: 3 -0.371440207983E+03 0.14165E-01 -0.10292E-02 5353 0.234E-01 0.298E-01 RMM: 4 -0.371440319950E+03 -0.11197E-03 -0.19796E-03 4812 0.102E-01 0.346E-01 RMM: 5 -0.371439732359E+03 0.58759E-03 -0.82595E-04 4609 0.778E-02 0.217E-01 RMM: 6 -0.371439480945E+03 0.25141E-03 -0.25250E-04 3885 0.412E-02 0.104E-01 RMM: 7 -0.371439515871E+03 -0.34926E-04 -0.14492E-04 3882 0.349E-02 0.135E-01 RMM: 8 -0.371439399396E+03 0.11647E-03 -0.61285E-05 3427 0.234E-02 0.375E-02 RMM: 9 -0.371439399718E+03 -0.32128E-06 -0.13860E-05 2508 0.106E-02 4686 T= 6335. E= 0.68055856E+03 F= 0.62815329E+03 E0= 0.65790564E+03 EK= 0.52405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371225427405E+03 0.21397E+00 -0.15938E-01 7920 0.237E+01 0.317E-01 RMM: 2 -0.371240987885E+03 -0.15560E-01 -0.95337E-02 5170 0.706E-01 0.115E+00 RMM: 3 -0.371232027967E+03 0.89599E-02 -0.93926E-03 5399 0.212E-01 0.223E-01 RMM: 4 -0.371232273791E+03 -0.24582E-03 -0.14902E-03 4675 0.909E-02 0.326E-01 RMM: 5 -0.371231694550E+03 0.57924E-03 -0.76574E-04 4604 0.759E-02 0.174E-01 RMM: 6 -0.371231591026E+03 0.10352E-03 -0.26629E-04 3893 0.419E-02 0.124E-01 RMM: 7 -0.371231596803E+03 -0.57776E-05 -0.12446E-04 3862 0.336E-02 4687 T= 6767. E= 0.68401674E+03 F= 0.62803335E+03 E0= 0.65778825E+03 EK= 0.55983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371111177349E+03 0.12041E+00 -0.16922E-01 7908 0.243E+01 0.323E-01 RMM: 2 -0.371122837318E+03 -0.11660E-01 -0.10164E-01 5243 0.724E-01 0.789E-01 RMM: 3 -0.371118493813E+03 0.43435E-02 -0.89405E-03 5528 0.192E-01 0.252E-01 RMM: 4 -0.371118898563E+03 -0.40475E-03 -0.16096E-03 4742 0.102E-01 0.400E-01 RMM: 5 -0.371117884702E+03 0.10139E-02 -0.10575E-03 4608 0.886E-02 0.142E-01 RMM: 6 -0.371118067852E+03 -0.18315E-03 -0.38679E-04 4030 0.498E-02 0.227E-01 RMM: 7 -0.371117796545E+03 0.27131E-03 -0.20166E-04 3880 0.435E-02 0.110E-01 RMM: 8 -0.371117724874E+03 0.71671E-04 -0.51448E-05 3304 0.210E-02 0.449E-02 RMM: 9 -0.371117736667E+03 -0.11792E-04 -0.30449E-05 2800 0.158E-02 4688 T= 7113. E= 0.68666719E+03 F= 0.62782430E+03 E0= 0.65758512E+03 EK= 0.58843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371046650392E+03 0.71074E-01 -0.17899E-01 8172 0.246E+01 0.271E-01 RMM: 2 -0.371060718548E+03 -0.14068E-01 -0.10441E-01 5203 0.737E-01 0.934E-01 RMM: 3 -0.371054553014E+03 0.61655E-02 -0.93619E-03 5585 0.199E-01 0.217E-01 RMM: 4 -0.371054484600E+03 0.68414E-04 -0.11038E-03 4655 0.798E-02 0.248E-01 RMM: 5 -0.371054208555E+03 0.27604E-03 -0.60877E-04 4598 0.684E-02 0.177E-01 RMM: 6 -0.371054071624E+03 0.13693E-03 -0.27289E-04 3919 0.431E-02 0.105E-01 RMM: 7 -0.371054078364E+03 -0.67397E-05 -0.95697E-05 3741 0.299E-02 4689 T= 7217. E= 0.68726661E+03 F= 0.62756576E+03 E0= 0.65733312E+03 EK= 0.59701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371005211603E+03 0.48860E-01 -0.18244E-01 8196 0.244E+01 0.373E-01 RMM: 2 -0.371017181821E+03 -0.11970E-01 -0.10913E-01 5262 0.741E-01 0.824E-01 RMM: 3 -0.371012363929E+03 0.48179E-02 -0.95980E-03 5645 0.201E-01 0.285E-01 RMM: 4 -0.371013227654E+03 -0.86372E-03 -0.19880E-03 4836 0.112E-01 0.496E-01 RMM: 5 -0.371011595691E+03 0.16320E-02 -0.11452E-03 4610 0.903E-02 0.132E-01 RMM: 6 -0.371011740921E+03 -0.14523E-03 -0.33979E-04 3949 0.475E-02 0.205E-01 RMM: 7 -0.371011537764E+03 0.20316E-03 -0.17442E-04 3883 0.401E-02 0.119E-01 RMM: 8 -0.371011449317E+03 0.88447E-04 -0.58269E-05 3374 0.220E-02 0.408E-02 RMM: 9 -0.371011465635E+03 -0.16318E-04 -0.28994E-05 2722 0.156E-02 4690 T= 7027. E= 0.68541414E+03 F= 0.62728066E+03 E0= 0.65705601E+03 EK= 0.58133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370978922400E+03 0.32527E-01 -0.18099E-01 8268 0.238E+01 0.308E-01 RMM: 2 -0.370992245942E+03 -0.13324E-01 -0.11170E-01 5095 0.738E-01 0.841E-01 RMM: 3 -0.370986850964E+03 0.53950E-02 -0.99099E-03 5664 0.203E-01 0.208E-01 RMM: 4 -0.370987461023E+03 -0.61006E-03 -0.14296E-03 4758 0.925E-02 0.402E-01 RMM: 5 -0.370986502105E+03 0.95892E-03 -0.66060E-04 4591 0.685E-02 0.158E-01 RMM: 6 -0.370986389815E+03 0.11229E-03 -0.23703E-04 3902 0.398E-02 0.957E-02 RMM: 7 -0.370986405086E+03 -0.15271E-04 -0.83293E-05 3634 0.276E-02 4691 T= 6635. E= 0.68185572E+03 F= 0.62696623E+03 E0= 0.65674812E+03 EK= 0.54889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370984673558E+03 0.17163E-02 -0.16906E-01 8268 0.231E+01 0.420E-01 RMM: 2 -0.370995631698E+03 -0.10958E-01 -0.10526E-01 5303 0.708E-01 0.826E-01 RMM: 3 -0.370990792781E+03 0.48389E-02 -0.90406E-03 5516 0.203E-01 0.339E-01 RMM: 4 -0.370992224256E+03 -0.14315E-02 -0.24374E-03 5065 0.122E-01 0.602E-01 RMM: 5 -0.370989856280E+03 0.23680E-02 -0.12615E-03 4602 0.934E-02 0.137E-01 RMM: 6 -0.370989889082E+03 -0.32802E-04 -0.29276E-04 3905 0.435E-02 0.164E-01 RMM: 7 -0.370989808796E+03 0.80287E-04 -0.13430E-04 3887 0.336E-02 0.132E-01 RMM: 8 -0.370989696189E+03 0.11261E-03 -0.59952E-05 3420 0.221E-02 0.380E-02 RMM: 9 -0.370989712319E+03 -0.16130E-04 -0.27554E-05 2791 0.148E-02 4692 T= 6206. E= 0.67794504E+03 F= 0.62660740E+03 E0= 0.65639308E+03 EK= 0.51338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371027134312E+03 -0.37438E-01 -0.16212E-01 8424 0.224E+01 0.356E-01 RMM: 2 -0.371039127435E+03 -0.11993E-01 -0.10643E-01 5109 0.715E-01 0.840E-01 RMM: 3 -0.371034085174E+03 0.50423E-02 -0.97308E-03 5557 0.206E-01 0.271E-01 RMM: 4 -0.371034989740E+03 -0.90457E-03 -0.18779E-03 4893 0.105E-01 0.478E-01 RMM: 5 -0.371033590399E+03 0.13993E-02 -0.82639E-04 4592 0.753E-02 0.178E-01 RMM: 6 -0.371033414977E+03 0.17542E-03 -0.22761E-04 3895 0.389E-02 0.798E-02 RMM: 7 -0.371033461120E+03 -0.46143E-04 -0.75850E-05 3577 0.252E-02 0.122E-01 RMM: 8 -0.371033362179E+03 0.98941E-04 -0.35532E-05 3060 0.184E-02 0.249E-02 RMM: 9 -0.371033369421E+03 -0.72419E-05 -0.14045E-05 2507 0.102E-02 4693 T= 5885. E= 0.67487868E+03 F= 0.62619147E+03 E0= 0.65597711E+03 EK= 0.48687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371116651369E+03 -0.83289E-01 -0.15332E-01 8592 0.221E+01 0.387E-01 RMM: 2 -0.371125607089E+03 -0.89557E-02 -0.90098E-02 5375 0.634E-01 0.711E-01 RMM: 3 -0.371121889031E+03 0.37181E-02 -0.68402E-03 5429 0.178E-01 0.328E-01 RMM: 4 -0.371122692746E+03 -0.80371E-03 -0.20711E-03 4873 0.115E-01 0.506E-01 RMM: 5 -0.371121044741E+03 0.16480E-02 -0.96701E-04 4597 0.816E-02 0.121E-01 RMM: 6 -0.371121076493E+03 -0.31752E-04 -0.21064E-04 3884 0.364E-02 0.147E-01 RMM: 7 -0.371120967268E+03 0.10922E-03 -0.97355E-05 3809 0.295E-02 0.906E-02 RMM: 8 -0.371120916993E+03 0.50275E-04 -0.34014E-05 3042 0.173E-02 0.343E-02 RMM: 9 -0.371120927926E+03 -0.10933E-04 -0.20121E-05 2555 0.126E-02 4694 T= 5758. E= 0.67335213E+03 F= 0.62571810E+03 E0= 0.65549883E+03 EK= 0.47634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371241135707E+03 -0.12022E+00 -0.15513E-01 8496 0.222E+01 0.380E-01 RMM: 2 -0.371251935370E+03 -0.10800E-01 -0.87966E-02 5369 0.643E-01 0.923E-01 RMM: 3 -0.371246261568E+03 0.56738E-02 -0.74058E-03 5468 0.186E-01 0.280E-01 RMM: 4 -0.371247294733E+03 -0.10332E-02 -0.21209E-03 4793 0.114E-01 0.505E-01 RMM: 5 -0.371245708994E+03 0.15857E-02 -0.10113E-03 4601 0.833E-02 0.175E-01 RMM: 6 -0.371245584460E+03 0.12453E-03 -0.25468E-04 3902 0.407E-02 0.116E-01 RMM: 7 -0.371245597617E+03 -0.13157E-04 -0.11643E-04 3869 0.313E-02 4695 T= 5849. E= 0.67358657E+03 F= 0.62520013E+03 E0= 0.65496994E+03 EK= 0.48386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371387107854E+03 -0.14152E+00 -0.16393E-01 8448 0.226E+01 0.390E-01 RMM: 2 -0.371395889626E+03 -0.87818E-02 -0.86825E-02 5481 0.629E-01 0.733E-01 RMM: 3 -0.371392321096E+03 0.35685E-02 -0.65295E-03 5411 0.175E-01 0.338E-01 RMM: 4 -0.371393378995E+03 -0.10579E-02 -0.21693E-03 4736 0.118E-01 0.547E-01 RMM: 5 -0.371391425730E+03 0.19533E-02 -0.12364E-03 4604 0.920E-02 0.136E-01 RMM: 6 -0.371391523517E+03 -0.97786E-04 -0.35094E-04 3963 0.476E-02 0.192E-01 RMM: 7 -0.371391350671E+03 0.17285E-03 -0.16770E-04 3881 0.392E-02 0.117E-01 RMM: 8 -0.371391266282E+03 0.84388E-04 -0.52722E-05 3316 0.211E-02 0.436E-02 RMM: 9 -0.371391283118E+03 -0.16836E-04 -0.31030E-05 2884 0.155E-02 4696 T= 6134. E= 0.67540481E+03 F= 0.62466041E+03 E0= 0.65441216E+03 EK= 0.50744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371531305006E+03 -0.14004E+00 -0.17850E-01 8604 0.232E+01 0.321E-01 RMM: 2 -0.371545290223E+03 -0.13985E-01 -0.97276E-02 5435 0.665E-01 0.103E+00 RMM: 3 -0.371537869995E+03 0.74202E-02 -0.74356E-03 5458 0.183E-01 0.215E-01 RMM: 4 -0.371538582354E+03 -0.71236E-03 -0.16831E-03 4651 0.102E-01 0.421E-01 RMM: 5 -0.371537493313E+03 0.10890E-02 -0.80394E-04 4594 0.759E-02 0.143E-01 RMM: 6 -0.371537475239E+03 0.18075E-04 -0.26858E-04 3901 0.417E-02 0.137E-01 RMM: 7 -0.371537427428E+03 0.47810E-04 -0.10226E-04 3844 0.308E-02 0.114E-01 RMM: 8 -0.371537340602E+03 0.86826E-04 -0.38913E-05 3120 0.187E-02 0.260E-02 RMM: 9 -0.371537346828E+03 -0.62256E-05 -0.12702E-05 2493 0.101E-02 4697 T= 6536. E= 0.67819355E+03 F= 0.62412454E+03 E0= 0.65385003E+03 EK= 0.54069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371650224223E+03 -0.11288E+00 -0.19306E-01 8460 0.240E+01 0.349E-01 RMM: 2 -0.371661660358E+03 -0.11436E-01 -0.10690E-01 5472 0.706E-01 0.767E-01 RMM: 3 -0.371657534617E+03 0.41257E-02 -0.77273E-03 5711 0.179E-01 0.266E-01 RMM: 4 -0.371658137327E+03 -0.60271E-03 -0.17837E-03 4681 0.108E-01 0.447E-01 RMM: 5 -0.371656884239E+03 0.12531E-02 -0.11021E-03 4608 0.887E-02 0.153E-01 RMM: 6 -0.371656960598E+03 -0.76359E-04 -0.35579E-04 3982 0.482E-02 0.192E-01 RMM: 7 -0.371656761807E+03 0.19879E-03 -0.16914E-04 3882 0.403E-02 0.103E-01 RMM: 8 -0.371656697942E+03 0.63865E-04 -0.37649E-05 3051 0.184E-02 0.405E-02 RMM: 9 -0.371656706767E+03 -0.88242E-05 -0.28521E-05 2709 0.153E-02 4698 T= 6921. E= 0.68087823E+03 F= 0.62362095E+03 E0= 0.65331120E+03 EK= 0.57257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371707943075E+03 -0.51245E-01 -0.20505E-01 8652 0.244E+01 0.344E-01 RMM: 2 -0.371723871678E+03 -0.15929E-01 -0.11709E-01 5464 0.734E-01 0.104E+00 RMM: 3 -0.371716100477E+03 0.77712E-02 -0.82925E-03 5509 0.193E-01 0.245E-01 RMM: 4 -0.371716582837E+03 -0.48236E-03 -0.18089E-03 4697 0.106E-01 0.404E-01 RMM: 5 -0.371715652252E+03 0.93059E-03 -0.10291E-03 4608 0.870E-02 0.186E-01 RMM: 6 -0.371715594576E+03 0.57676E-04 -0.33695E-04 3950 0.468E-02 0.164E-01 RMM: 7 -0.371715495025E+03 0.99551E-04 -0.16970E-04 3880 0.400E-02 0.121E-01 RMM: 8 -0.371715399464E+03 0.95561E-04 -0.56551E-05 3393 0.223E-02 0.378E-02 RMM: 9 -0.371715410642E+03 -0.11178E-04 -0.22038E-05 2581 0.135E-02 4699 T= 7134. E= 0.68219847E+03 F= 0.62318087E+03 E0= 0.65282752E+03 EK= 0.59018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371663006626E+03 0.52393E-01 -0.22569E-01 8748 0.246E+01 0.349E-01 RMM: 2 -0.371677321754E+03 -0.14315E-01 -0.12664E-01 5461 0.741E-01 0.834E-01 RMM: 3 -0.371671806099E+03 0.55157E-02 -0.79025E-03 5455 0.189E-01 0.263E-01 RMM: 4 -0.371672620242E+03 -0.81414E-03 -0.20474E-03 4798 0.115E-01 0.468E-01 RMM: 5 -0.371671241791E+03 0.13785E-02 -0.10448E-03 4612 0.863E-02 0.149E-01 RMM: 6 -0.371671262021E+03 -0.20230E-04 -0.35781E-04 3981 0.483E-02 0.166E-01 RMM: 7 -0.371671140039E+03 0.12198E-03 -0.16241E-04 3880 0.390E-02 0.114E-01 RMM: 8 -0.371671058504E+03 0.81535E-04 -0.43135E-05 3142 0.198E-02 0.366E-02 RMM: 9 -0.371671067557E+03 -0.90529E-05 -0.23875E-05 2586 0.140E-02 4700 T= 7075. E= 0.68136875E+03 F= 0.62284085E+03 E0= 0.65243735E+03 EK= 0.58528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371474135282E+03 0.19692E+00 -0.24214E-01 8748 0.242E+01 0.361E-01 RMM: 2 -0.371489135990E+03 -0.15001E-01 -0.12947E-01 5616 0.730E-01 0.879E-01 RMM: 3 -0.371482862310E+03 0.62737E-02 -0.70546E-03 5368 0.186E-01 0.258E-01 RMM: 4 -0.371483890031E+03 -0.10277E-02 -0.22439E-03 4853 0.120E-01 0.500E-01 RMM: 5 -0.371482345113E+03 0.15449E-02 -0.10630E-03 4606 0.865E-02 0.155E-01 RMM: 6 -0.371482355645E+03 -0.10531E-04 -0.31952E-04 3913 0.454E-02 0.167E-01 RMM: 7 -0.371482212239E+03 0.14341E-03 -0.16180E-04 3880 0.399E-02 0.992E-02 RMM: 8 -0.371482153176E+03 0.59064E-04 -0.44302E-05 3200 0.197E-02 0.381E-02 RMM: 9 -0.371482161232E+03 -0.80561E-05 -0.23359E-05 2575 0.141E-02 4701 T= 6769. E= 0.67863116E+03 F= 0.62263551E+03 E0= 0.65217869E+03 EK= 0.55996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371120860294E+03 0.36129E+00 -0.25550E-01 8820 0.236E+01 0.397E-01 RMM: 2 -0.371135771002E+03 -0.14911E-01 -0.13621E-01 5639 0.739E-01 0.849E-01 RMM: 3 -0.371129888325E+03 0.58827E-02 -0.81146E-03 5385 0.199E-01 0.329E-01 RMM: 4 -0.371131049307E+03 -0.11610E-02 -0.24380E-03 5041 0.122E-01 0.548E-01 RMM: 5 -0.371129151005E+03 0.18983E-02 -0.11645E-03 4610 0.912E-02 0.170E-01 RMM: 6 -0.371129067317E+03 0.83688E-04 -0.31316E-04 3960 0.451E-02 0.139E-01 RMM: 7 -0.371129064149E+03 0.31674E-05 -0.14856E-04 3881 0.356E-02 4702 T= 6348. E= 0.67509254E+03 F= 0.62257893E+03 E0= 0.65206970E+03 EK= 0.52514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370615947867E+03 0.51312E+00 -0.26725E-01 8688 0.230E+01 0.466E-01 RMM: 2 -0.370628805057E+03 -0.12857E-01 -0.13817E-01 5898 0.731E-01 0.752E-01 RMM: 3 -0.370624695411E+03 0.41096E-02 -0.77102E-03 5364 0.200E-01 0.449E-01 RMM: 4 -0.370626025486E+03 -0.13301E-02 -0.27909E-03 5068 0.131E-01 0.654E-01 RMM: 5 -0.370623220192E+03 0.28053E-02 -0.15444E-03 4605 0.105E-01 0.145E-01 RMM: 6 -0.370623313738E+03 -0.93546E-04 -0.35949E-04 4066 0.480E-02 0.195E-01 RMM: 7 -0.370623153410E+03 0.16033E-03 -0.17321E-04 3886 0.388E-02 0.132E-01 RMM: 8 -0.370623038439E+03 0.11497E-03 -0.78980E-05 3571 0.254E-02 0.407E-02 RMM: 9 -0.370623061866E+03 -0.23426E-04 -0.28905E-05 2810 0.152E-02 0.781E-02 RMM: 10 -0.370623022682E+03 0.39183E-04 -0.21049E-05 2545 0.149E-02 0.274E-02 RMM: 11 -0.370623017563E+03 0.51190E-05 -0.52143E-06 2432 0.695E-03 4703 T= 5968. E= 0.67202853E+03 F= 0.62265787E+03 E0= 0.65209996E+03 EK= 0.49371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369985865415E+03 0.63716E+00 -0.27657E-01 8508 0.224E+01 0.386E-01 RMM: 2 -0.369999493106E+03 -0.13628E-01 -0.14361E-01 5970 0.717E-01 0.640E-01 RMM: 3 -0.369995756334E+03 0.37368E-02 -0.76414E-03 5371 0.197E-01 0.387E-01 RMM: 4 -0.369996430963E+03 -0.67463E-03 -0.19215E-03 4878 0.110E-01 0.520E-01 RMM: 5 -0.369994721792E+03 0.17092E-02 -0.84308E-04 4600 0.771E-02 0.145E-01 RMM: 6 -0.369994659087E+03 0.62705E-04 -0.26697E-04 3898 0.414E-02 0.115E-01 RMM: 7 -0.369994625747E+03 0.33340E-04 -0.89591E-05 3754 0.286E-02 0.100E-01 RMM: 8 -0.369994560220E+03 0.65526E-04 -0.26435E-05 2856 0.159E-02 0.256E-02 RMM: 9 -0.369994566883E+03 -0.66623E-05 -0.15079E-05 2486 0.109E-02 4704 T= 5742. E= 0.67034987E+03 F= 0.62284435E+03 E0= 0.65224369E+03 EK= 0.47506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369265081574E+03 0.72948E+00 -0.28987E-01 8676 0.222E+01 0.436E-01 RMM: 2 -0.369278440455E+03 -0.13359E-01 -0.15284E-01 6202 0.712E-01 0.585E-01 RMM: 3 -0.369275500352E+03 0.29401E-02 -0.72709E-03 5373 0.190E-01 0.488E-01 RMM: 4 -0.369275537761E+03 -0.37409E-04 -0.18933E-03 4797 0.108E-01 0.525E-01 RMM: 5 -0.369273744070E+03 0.17937E-02 -0.95438E-04 4615 0.812E-02 0.111E-01 RMM: 6 -0.369273904952E+03 -0.16088E-03 -0.29448E-04 3916 0.436E-02 0.196E-01 RMM: 7 -0.369273695308E+03 0.20964E-03 -0.12646E-04 3877 0.337E-02 0.101E-01 RMM: 8 -0.369273630376E+03 0.64932E-04 -0.42666E-05 3163 0.186E-02 0.370E-02 RMM: 9 -0.369273645533E+03 -0.15157E-04 -0.24198E-05 2617 0.141E-02 4705 T= 5727. E= 0.67049459E+03 F= 0.62311508E+03 E0= 0.65247968E+03 EK= 0.47380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368463751824E+03 0.80988E+00 -0.32148E-01 8676 0.223E+01 0.410E-01 RMM: 2 -0.368481755774E+03 -0.18004E-01 -0.17382E-01 5988 0.753E-01 0.800E-01 RMM: 3 -0.368475599346E+03 0.61564E-02 -0.85065E-03 5395 0.196E-01 0.347E-01 RMM: 4 -0.368476682147E+03 -0.10828E-02 -0.25368E-03 5029 0.125E-01 0.559E-01 RMM: 5 -0.368474705510E+03 0.19766E-02 -0.11733E-03 4608 0.914E-02 0.164E-01 RMM: 6 -0.368474645419E+03 0.60090E-04 -0.29911E-04 3922 0.439E-02 0.141E-01 RMM: 7 -0.368474624517E+03 0.20902E-04 -0.13185E-04 3883 0.336E-02 0.139E-01 RMM: 8 -0.368474496701E+03 0.12782E-03 -0.56348E-05 3389 0.219E-02 0.342E-02 RMM: 9 -0.368474507626E+03 -0.10924E-04 -0.21555E-05 2581 0.131E-02 4706 T= 5928. E= 0.67250205E+03 F= 0.62346442E+03 E0= 0.65280185E+03 EK= 0.49038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367571910446E+03 0.90259E+00 -0.38476E-01 8760 0.228E+01 0.397E-01 RMM: 2 -0.367594389396E+03 -0.22479E-01 -0.20665E-01 5935 0.819E-01 0.887E-01 RMM: 3 -0.367586815536E+03 0.75739E-02 -0.10784E-02 5451 0.212E-01 0.291E-01 RMM: 4 -0.367587818839E+03 -0.10033E-02 -0.25088E-03 5049 0.123E-01 0.522E-01 RMM: 5 -0.367586099609E+03 0.17192E-02 -0.10213E-03 4604 0.844E-02 0.147E-01 RMM: 6 -0.367586129439E+03 -0.29830E-04 -0.30509E-04 3930 0.443E-02 0.167E-01 RMM: 7 -0.367586023800E+03 0.10564E-03 -0.14641E-04 3875 0.364E-02 0.124E-01 RMM: 8 -0.367585925298E+03 0.98503E-04 -0.54001E-05 3340 0.213E-02 0.362E-02 RMM: 9 -0.367585935220E+03 -0.99222E-05 -0.21583E-05 2566 0.133E-02 4707 T= 6298. E= 0.67601569E+03 F= 0.62391127E+03 E0= 0.65323096E+03 EK= 0.52104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366558510984E+03 0.10274E+01 -0.47356E-01 8820 0.235E+01 0.378E-01 RMM: 2 -0.366583399812E+03 -0.24889E-01 -0.22640E-01 6063 0.863E-01 0.889E-01 RMM: 3 -0.366575443340E+03 0.79565E-02 -0.10075E-02 5437 0.209E-01 0.290E-01 RMM: 4 -0.366576353886E+03 -0.91055E-03 -0.24900E-03 4993 0.121E-01 0.507E-01 RMM: 5 -0.366574805056E+03 0.15488E-02 -0.11824E-03 4612 0.926E-02 0.179E-01 RMM: 6 -0.366574743319E+03 0.61737E-04 -0.33725E-04 3931 0.466E-02 0.157E-01 RMM: 7 -0.366574671192E+03 0.72127E-04 -0.16464E-04 3885 0.388E-02 0.130E-01 RMM: 8 -0.366574563570E+03 0.10762E-03 -0.55625E-05 3372 0.219E-02 0.362E-02 RMM: 9 -0.366574573390E+03 -0.98197E-05 -0.23378E-05 2579 0.140E-02 4708 T= 6733. E= 0.68018978E+03 F= 0.62449308E+03 E0= 0.65380325E+03 EK= 0.55697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365381269170E+03 0.11933E+01 -0.55957E-01 8844 0.242E+01 0.376E-01 RMM: 2 -0.365409147487E+03 -0.27878E-01 -0.25375E-01 6185 0.905E-01 0.920E-01 RMM: 3 -0.365400487042E+03 0.86604E-02 -0.10636E-02 5411 0.213E-01 0.269E-01 RMM: 4 -0.365401283885E+03 -0.79684E-03 -0.25139E-03 5012 0.121E-01 0.478E-01 RMM: 5 -0.365399858714E+03 0.14252E-02 -0.11598E-03 4612 0.911E-02 0.151E-01 RMM: 6 -0.365399953120E+03 -0.94406E-04 -0.33987E-04 3968 0.470E-02 0.196E-01 RMM: 7 -0.365399772772E+03 0.18035E-03 -0.17255E-04 3875 0.402E-02 0.121E-01 RMM: 8 -0.365399681295E+03 0.91477E-04 -0.54188E-05 3346 0.214E-02 0.399E-02 RMM: 9 -0.365399690086E+03 -0.87909E-05 -0.23490E-05 2581 0.140E-02 4709 T= 7071. E= 0.68374226E+03 F= 0.62524989E+03 E0= 0.65455894E+03 EK= 0.58492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364022339318E+03 0.13773E+01 -0.65190E-01 8868 0.245E+01 0.386E-01 RMM: 2 -0.364051348213E+03 -0.29009E-01 -0.27212E-01 6225 0.954E-01 0.859E-01 RMM: 3 -0.364043562817E+03 0.77854E-02 -0.11535E-02 5454 0.217E-01 0.285E-01 RMM: 4 -0.364044546672E+03 -0.98386E-03 -0.24994E-03 5035 0.120E-01 0.519E-01 RMM: 5 -0.364042875458E+03 0.16712E-02 -0.12176E-03 4613 0.938E-02 0.165E-01 RMM: 6 -0.364042876887E+03 -0.14297E-05 -0.35526E-04 3954 0.480E-02 0.170E-01 RMM: 7 -0.364042787398E+03 0.89489E-04 -0.16439E-04 3885 0.387E-02 0.135E-01 RMM: 8 -0.364042670285E+03 0.11711E-03 -0.56118E-05 3373 0.219E-02 0.377E-02 RMM: 9 -0.364042680520E+03 -0.10235E-04 -0.24408E-05 2624 0.144E-02 4710 T= 7163. E= 0.68545008E+03 F= 0.62619536E+03 E0= 0.65550942E+03 EK= 0.59255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362517356151E+03 0.15253E+01 -0.69135E-01 8832 0.244E+01 0.409E-01 RMM: 2 -0.362545496236E+03 -0.28140E-01 -0.26192E-01 6564 0.929E-01 0.918E-01 RMM: 3 -0.362537658246E+03 0.78380E-02 -0.99238E-03 5379 0.214E-01 0.303E-01 RMM: 4 -0.362538761602E+03 -0.11034E-02 -0.27220E-03 5085 0.126E-01 0.533E-01 RMM: 5 -0.362536948918E+03 0.18127E-02 -0.11728E-03 4618 0.913E-02 0.148E-01 RMM: 6 -0.362536969917E+03 -0.20999E-04 -0.28708E-04 3922 0.430E-02 0.165E-01 RMM: 7 -0.362536880463E+03 0.89453E-04 -0.13530E-04 3872 0.350E-02 0.125E-01 RMM: 8 -0.362536777507E+03 0.10296E-03 -0.53129E-05 3334 0.213E-02 0.348E-02 RMM: 9 -0.362536788884E+03 -0.11377E-04 -0.21746E-05 2581 0.134E-02 4711 T= 6966. E= 0.68491676E+03 F= 0.62728903E+03 E0= 0.65661384E+03 EK= 0.57628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360960804628E+03 0.15760E+01 -0.67466E-01 8760 0.239E+01 0.446E-01 RMM: 2 -0.360988188518E+03 -0.27384E-01 -0.25048E-01 6493 0.919E-01 0.993E-01 RMM: 3 -0.360979613765E+03 0.85748E-02 -0.10321E-02 5367 0.221E-01 0.353E-01 RMM: 4 -0.360981196940E+03 -0.15832E-02 -0.30076E-03 5208 0.131E-01 0.620E-01 RMM: 5 -0.360978728158E+03 0.24688E-02 -0.13528E-03 4616 0.989E-02 0.159E-01 RMM: 6 -0.360978648268E+03 0.79891E-04 -0.27553E-04 3894 0.419E-02 0.126E-01 RMM: 7 -0.360978676431E+03 -0.28164E-04 -0.12597E-04 3873 0.314E-02 0.149E-01 RMM: 8 -0.360978529723E+03 0.14671E-03 -0.62900E-05 3454 0.231E-02 0.339E-02 RMM: 9 -0.360978538098E+03 -0.83748E-05 -0.21108E-05 2597 0.130E-02 4712 T= 6579. E= 0.68285245E+03 F= 0.62842759E+03 E0= 0.65776688E+03 EK= 0.54425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359494726487E+03 0.14838E+01 -0.58683E-01 8748 0.232E+01 0.491E-01 RMM: 2 -0.359522504095E+03 -0.27778E-01 -0.24185E-01 6337 0.908E-01 0.114E+00 RMM: 3 -0.359511860666E+03 0.10643E-01 -0.11656E-02 5351 0.233E-01 0.370E-01 RMM: 4 -0.359513443756E+03 -0.15831E-02 -0.34621E-03 5203 0.139E-01 0.626E-01 RMM: 5 -0.359510935007E+03 0.25087E-02 -0.14108E-03 4615 0.101E-01 0.190E-01 RMM: 6 -0.359510767179E+03 0.16783E-03 -0.28638E-04 3957 0.430E-02 0.118E-01 RMM: 7 -0.359510830050E+03 -0.62870E-04 -0.15538E-04 3880 0.334E-02 0.158E-01 RMM: 8 -0.359510662871E+03 0.16718E-03 -0.85423E-05 3637 0.266E-02 0.394E-02 RMM: 9 -0.359510666256E+03 -0.33851E-05 -0.21922E-05 2615 0.133E-02 4713 T= 6173. E= 0.68053114E+03 F= 0.62946451E+03 E0= 0.65882307E+03 EK= 0.51067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358265706695E+03 0.12450E+01 -0.47211E-01 8796 0.225E+01 0.510E-01 RMM: 2 -0.358294142576E+03 -0.28436E-01 -0.21049E-01 6127 0.869E-01 0.138E+00 RMM: 3 -0.358279691397E+03 0.14451E-01 -0.11921E-02 5343 0.241E-01 0.382E-01 RMM: 4 -0.358281828274E+03 -0.21369E-02 -0.38336E-03 5147 0.146E-01 0.693E-01 RMM: 5 -0.358278748384E+03 0.30799E-02 -0.15563E-03 4610 0.105E-01 0.192E-01 RMM: 6 -0.358278566461E+03 0.18192E-03 -0.30880E-04 3952 0.446E-02 0.116E-01 RMM: 7 -0.358278649709E+03 -0.83248E-04 -0.16720E-04 3888 0.341E-02 0.167E-01 RMM: 8 -0.358278465553E+03 0.18416E-03 -0.92229E-05 3701 0.276E-02 0.460E-02 RMM: 9 -0.358278463983E+03 0.15696E-05 -0.24961E-05 2753 0.143E-02 4714 T= 5899. E= 0.67905685E+03 F= 0.63025505E+03 E0= 0.65963787E+03 EK= 0.48802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357375534464E+03 0.90293E+00 -0.35858E-01 8808 0.222E+01 0.493E-01 RMM: 2 -0.357401762157E+03 -0.26228E-01 -0.17746E-01 6007 0.807E-01 0.142E+00 RMM: 3 -0.357386709615E+03 0.15053E-01 -0.11156E-02 5350 0.237E-01 0.343E-01 RMM: 4 -0.357388565333E+03 -0.18557E-02 -0.36196E-03 5186 0.143E-01 0.640E-01 RMM: 5 -0.357386090032E+03 0.24753E-02 -0.13285E-03 4608 0.972E-02 0.242E-01 RMM: 6 -0.357385742240E+03 0.34779E-03 -0.34780E-04 4009 0.479E-02 0.104E-01 RMM: 7 -0.357385828432E+03 -0.86193E-04 -0.17909E-04 3889 0.357E-02 0.160E-01 RMM: 8 -0.357385659885E+03 0.16855E-03 -0.92870E-05 3680 0.280E-02 0.448E-02 RMM: 9 -0.357385656758E+03 0.31264E-05 -0.21203E-05 2590 0.132E-02 4715 T= 5843. E= 0.67903857E+03 F= 0.63070024E+03 E0= 0.66011394E+03 EK= 0.48338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356853319517E+03 0.53234E+00 -0.28346E-01 8868 0.223E+01 0.459E-01 RMM: 2 -0.356879509024E+03 -0.26190E-01 -0.16425E-01 5651 0.791E-01 0.146E+00 RMM: 3 -0.356863796719E+03 0.15712E-01 -0.11813E-02 5367 0.241E-01 0.331E-01 RMM: 4 -0.356865333875E+03 -0.15372E-02 -0.33320E-03 5232 0.137E-01 0.601E-01 RMM: 5 -0.356863110415E+03 0.22235E-02 -0.13238E-03 4609 0.970E-02 0.203E-01 RMM: 6 -0.356862899089E+03 0.21133E-03 -0.30507E-04 3899 0.444E-02 0.111E-01 RMM: 7 -0.356862970524E+03 -0.71435E-04 -0.15139E-04 3883 0.337E-02 0.160E-01 RMM: 8 -0.356862803882E+03 0.16664E-03 -0.79261E-05 3571 0.260E-02 0.392E-02 RMM: 9 -0.356862806920E+03 -0.30377E-05 -0.20493E-05 2579 0.129E-02 4716 T= 6023. E= 0.68059953E+03 F= 0.63077646E+03 E0= 0.66022785E+03 EK= 0.49823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356646427053E+03 0.21638E+00 -0.25057E-01 8952 0.229E+01 0.415E-01 RMM: 2 -0.356669972323E+03 -0.23545E-01 -0.15393E-01 5614 0.777E-01 0.133E+00 RMM: 3 -0.356656658489E+03 0.13314E-01 -0.10734E-02 5380 0.227E-01 0.297E-01 RMM: 4 -0.356657395243E+03 -0.73675E-03 -0.26457E-03 5091 0.124E-01 0.473E-01 RMM: 5 -0.356656229300E+03 0.11659E-02 -0.11763E-03 4611 0.923E-02 0.254E-01 RMM: 6 -0.356655873507E+03 0.35579E-03 -0.38735E-04 4087 0.507E-02 0.121E-01 RMM: 7 -0.356655916859E+03 -0.43352E-04 -0.20288E-04 3883 0.408E-02 0.154E-01 RMM: 8 -0.356655764452E+03 0.15241E-03 -0.91341E-05 3642 0.285E-02 0.425E-02 RMM: 9 -0.356655767864E+03 -0.34119E-05 -0.20838E-05 2570 0.132E-02 4717 T= 6388. E= 0.68339390E+03 F= 0.63054413E+03 E0= 0.66004092E+03 EK= 0.52850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356638888365E+03 0.16876E-01 -0.25839E-01 9120 0.238E+01 0.409E-01 RMM: 2 -0.356666642492E+03 -0.27754E-01 -0.16964E-01 5452 0.858E-01 0.149E+00 RMM: 3 -0.356650912554E+03 0.15730E-01 -0.13737E-02 5419 0.255E-01 0.336E-01 RMM: 4 -0.356650799154E+03 0.11340E-03 -0.22753E-03 4862 0.110E-01 0.350E-01 RMM: 5 -0.356650237045E+03 0.56211E-03 -0.14238E-03 4612 0.103E-01 0.249E-01 RMM: 6 -0.356649983759E+03 0.25329E-03 -0.54327E-04 4559 0.603E-02 0.162E-01 RMM: 7 -0.356650030126E+03 -0.46367E-04 -0.24814E-04 3890 0.435E-02 0.189E-01 RMM: 8 -0.356649799253E+03 0.23087E-03 -0.12578E-04 3856 0.340E-02 0.537E-02 RMM: 9 -0.356649795390E+03 0.38637E-05 -0.25382E-05 2768 0.149E-02 4718 T= 6820. E= 0.68653771E+03 F= 0.63012087E+03 E0= 0.65966914E+03 EK= 0.56417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356702489631E+03 -0.52690E-01 -0.27201E-01 9132 0.245E+01 0.401E-01 RMM: 2 -0.356731440957E+03 -0.28951E-01 -0.18211E-01 5461 0.895E-01 0.147E+00 RMM: 3 -0.356715749183E+03 0.15692E-01 -0.14512E-02 5453 0.257E-01 0.317E-01 RMM: 4 -0.356715652517E+03 0.96666E-04 -0.22145E-03 4860 0.110E-01 0.349E-01 RMM: 5 -0.356715118662E+03 0.53385E-03 -0.13570E-03 4610 0.102E-01 0.254E-01 RMM: 6 -0.356714889873E+03 0.22879E-03 -0.54475E-04 4545 0.594E-02 0.182E-01 RMM: 7 -0.356714870724E+03 0.19149E-04 -0.30253E-04 3917 0.484E-02 0.183E-01 RMM: 8 -0.356714658025E+03 0.21270E-03 -0.13341E-04 3865 0.349E-02 0.494E-02 RMM: 9 -0.356714667370E+03 -0.93454E-05 -0.29018E-05 2842 0.157E-02 4719 T= 7142. E= 0.68871565E+03 F= 0.62963514E+03 E0= 0.65924041E+03 EK= 0.59081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356742545713E+03 -0.27888E-01 -0.28089E-01 9048 0.249E+01 0.422E-01 RMM: 2 -0.356774619119E+03 -0.32073E-01 -0.19121E-01 5373 0.933E-01 0.161E+00 RMM: 3 -0.356756528871E+03 0.18090E-01 -0.16782E-02 5454 0.280E-01 0.362E-01 RMM: 4 -0.356756146739E+03 0.38213E-03 -0.24248E-03 4975 0.113E-01 0.324E-01 RMM: 5 -0.356755686953E+03 0.45979E-03 -0.14187E-03 4608 0.103E-01 0.256E-01 RMM: 6 -0.356755449366E+03 0.23759E-03 -0.56465E-04 4596 0.612E-02 0.178E-01 RMM: 7 -0.356755492572E+03 -0.43205E-04 -0.29248E-04 3901 0.463E-02 0.202E-01 RMM: 8 -0.356755230706E+03 0.26187E-03 -0.14903E-04 3873 0.369E-02 0.564E-02 RMM: 9 -0.356755225821E+03 0.48854E-05 -0.27301E-05 2795 0.152E-02 4720 T= 7203. E= 0.68876103E+03 F= 0.62917616E+03 E0= 0.65883855E+03 EK= 0.59585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356720343202E+03 0.34888E-01 -0.27053E-01 9024 0.247E+01 0.433E-01 RMM: 2 -0.356746995681E+03 -0.26652E-01 -0.17319E-01 5452 0.858E-01 0.142E+00 RMM: 3 -0.356732206091E+03 0.14790E-01 -0.13593E-02 5431 0.252E-01 0.316E-01 RMM: 4 -0.356732814290E+03 -0.60820E-03 -0.27504E-03 5206 0.125E-01 0.476E-01 RMM: 5 -0.356731600767E+03 0.12135E-02 -0.13773E-03 4610 0.101E-01 0.254E-01 RMM: 6 -0.356731312846E+03 0.28792E-03 -0.47654E-04 4370 0.555E-02 0.157E-01 RMM: 7 -0.356731354320E+03 -0.41474E-04 -0.26572E-04 3893 0.451E-02 0.183E-01 RMM: 8 -0.356731140047E+03 0.21427E-03 -0.12813E-04 3865 0.339E-02 0.515E-02 RMM: 9 -0.356731138988E+03 0.10596E-05 -0.25781E-05 2763 0.146E-02 4721 T= 6971. E= 0.68644845E+03 F= 0.62877616E+03 E0= 0.65849312E+03 EK= 0.57672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356639269703E+03 0.91870E-01 -0.25136E-01 8928 0.240E+01 0.454E-01 RMM: 2 -0.356663465145E+03 -0.24195E-01 -0.15180E-01 5491 0.794E-01 0.144E+00 RMM: 3 -0.356648763455E+03 0.14702E-01 -0.12208E-02 5395 0.246E-01 0.341E-01 RMM: 4 -0.356649886789E+03 -0.11233E-02 -0.31913E-03 5267 0.137E-01 0.555E-01 RMM: 5 -0.356648113163E+03 0.17736E-02 -0.13582E-03 4606 0.987E-02 0.249E-01 RMM: 6 -0.356647786943E+03 0.32622E-03 -0.38676E-04 4135 0.505E-02 0.125E-01 RMM: 7 -0.356647824846E+03 -0.37903E-04 -0.19470E-04 3884 0.395E-02 0.156E-01 RMM: 8 -0.356647667766E+03 0.15708E-03 -0.83824E-05 3601 0.272E-02 0.441E-02 RMM: 9 -0.356647670275E+03 -0.25090E-05 -0.22204E-05 2608 0.135E-02 4722 T= 6558. E= 0.68267577E+03 F= 0.62842240E+03 E0= 0.65818572E+03 EK= 0.54253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356522891771E+03 0.12478E+00 -0.22718E-01 8676 0.233E+01 0.459E-01 RMM: 2 -0.356539492467E+03 -0.16601E-01 -0.14223E-01 5497 0.773E-01 0.103E+00 RMM: 3 -0.356531807825E+03 0.76846E-02 -0.10884E-02 5412 0.228E-01 0.362E-01 RMM: 4 -0.356533581143E+03 -0.17733E-02 -0.31247E-03 5113 0.136E-01 0.660E-01 RMM: 5 -0.356530918135E+03 0.26630E-02 -0.15178E-03 4611 0.105E-01 0.202E-01 RMM: 6 -0.356530726303E+03 0.19183E-03 -0.31510E-04 3927 0.448E-02 0.123E-01 RMM: 7 -0.356530743374E+03 -0.17071E-04 -0.15735E-04 3884 0.362E-02 4723 T= 6133. E= 0.67882301E+03 F= 0.62808467E+03 E0= 0.65788421E+03 EK= 0.50738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356403650127E+03 0.12708E+00 -0.19513E-01 8928 0.226E+01 0.513E-01 RMM: 2 -0.356415815679E+03 -0.12166E-01 -0.11415E-01 5446 0.706E-01 0.962E-01 RMM: 3 -0.356409830508E+03 0.59852E-02 -0.10098E-02 5376 0.228E-01 0.475E-01 RMM: 4 -0.356411545788E+03 -0.17153E-02 -0.36784E-03 5153 0.150E-01 0.701E-01 RMM: 5 -0.356408472795E+03 0.30730E-02 -0.17870E-03 4616 0.113E-01 0.246E-01 RMM: 6 -0.356408161555E+03 0.31124E-03 -0.43572E-04 4240 0.538E-02 0.136E-01 RMM: 7 -0.356408249825E+03 -0.88270E-04 -0.22765E-04 3896 0.407E-02 0.187E-01 RMM: 8 -0.356408021591E+03 0.22823E-03 -0.12794E-04 3874 0.334E-02 0.554E-02 RMM: 9 -0.356408021275E+03 0.31596E-06 -0.34738E-05 3014 0.167E-02 4724 T= 5837. E= 0.67602059E+03 F= 0.62773589E+03 E0= 0.65756079E+03 EK= 0.48285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356294919512E+03 0.11310E+00 -0.17204E-01 8460 0.222E+01 0.435E-01 RMM: 2 -0.356308346531E+03 -0.13427E-01 -0.10877E-01 5335 0.697E-01 0.101E+00 RMM: 3 -0.356301295840E+03 0.70507E-02 -0.96502E-03 5413 0.214E-01 0.348E-01 RMM: 4 -0.356302953801E+03 -0.16580E-02 -0.29076E-03 5164 0.132E-01 0.621E-01 RMM: 5 -0.356300508431E+03 0.24454E-02 -0.13649E-03 4613 0.101E-01 0.181E-01 RMM: 6 -0.356300333155E+03 0.17528E-03 -0.26610E-04 3917 0.417E-02 0.974E-02 RMM: 7 -0.356300393669E+03 -0.60513E-04 -0.11614E-04 3858 0.299E-02 0.142E-01 RMM: 8 -0.356300257957E+03 0.13571E-03 -0.62547E-05 3437 0.236E-02 0.358E-02 RMM: 9 -0.356300258584E+03 -0.62681E-06 -0.15777E-05 2533 0.114E-02 4725 T= 5744. E= 0.67488067E+03 F= 0.62736065E+03 E0= 0.65720067E+03 EK= 0.47520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356212785322E+03 0.87473E-01 -0.16187E-01 8508 0.223E+01 0.491E-01 RMM: 2 -0.356229972702E+03 -0.17187E-01 -0.96366E-02 5289 0.690E-01 0.139E+00 RMM: 3 -0.356217177723E+03 0.12795E-01 -0.10737E-02 5380 0.238E-01 0.357E-01 RMM: 4 -0.356219010105E+03 -0.18324E-02 -0.37607E-03 5135 0.151E-01 0.647E-01 RMM: 5 -0.356216616551E+03 0.23936E-02 -0.15236E-03 4612 0.104E-01 0.288E-01 RMM: 6 -0.356216113677E+03 0.50287E-03 -0.41043E-04 4280 0.523E-02 0.103E-01 RMM: 7 -0.356216209449E+03 -0.95772E-04 -0.19609E-04 3883 0.387E-02 0.170E-01 RMM: 8 -0.356216020375E+03 0.18907E-03 -0.93875E-05 3648 0.291E-02 0.411E-02 RMM: 9 -0.356216030321E+03 -0.99459E-05 -0.25907E-05 2742 0.147E-02 4726 T= 5874. E= 0.67555529E+03 F= 0.62695877E+03 E0= 0.65680498E+03 EK= 0.48597E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356134452296E+03 0.81568E-01 -0.15766E-01 8472 0.227E+01 0.438E-01 RMM: 2 -0.356147535084E+03 -0.13083E-01 -0.91323E-02 5187 0.676E-01 0.111E+00 RMM: 3 -0.356139423231E+03 0.81119E-02 -0.99880E-03 5399 0.223E-01 0.358E-01 RMM: 4 -0.356140542071E+03 -0.11188E-02 -0.28113E-03 5170 0.129E-01 0.561E-01 RMM: 5 -0.356138768156E+03 0.17739E-02 -0.14649E-03 4616 0.105E-01 0.253E-01 RMM: 6 -0.356138375235E+03 0.39292E-03 -0.33075E-04 3940 0.473E-02 0.939E-02 RMM: 7 -0.356138466302E+03 -0.91068E-04 -0.18233E-04 3885 0.386E-02 0.160E-01 RMM: 8 -0.356138300346E+03 0.16596E-03 -0.86232E-05 3669 0.279E-02 0.465E-02 RMM: 9 -0.356138299516E+03 0.83006E-06 -0.22214E-05 2645 0.139E-02 4727 T= 6194. E= 0.67779741E+03 F= 0.62655570E+03 E0= 0.65640175E+03 EK= 0.51242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356012423649E+03 0.12588E+00 -0.16488E-01 8184 0.234E+01 0.442E-01 RMM: 2 -0.356031052615E+03 -0.18629E-01 -0.94348E-02 5218 0.712E-01 0.144E+00 RMM: 3 -0.356017431334E+03 0.13621E-01 -0.11149E-02 5393 0.242E-01 0.334E-01 RMM: 4 -0.356018080863E+03 -0.64953E-03 -0.29020E-03 5242 0.131E-01 0.481E-01 RMM: 5 -0.356017113896E+03 0.96697E-03 -0.14683E-03 4611 0.104E-01 0.324E-01 RMM: 6 -0.356016487786E+03 0.62611E-03 -0.47743E-04 4452 0.574E-02 0.117E-01 RMM: 7 -0.356016546745E+03 -0.58959E-04 -0.23729E-04 3914 0.425E-02 0.160E-01 RMM: 8 -0.356016384223E+03 0.16252E-03 -0.12148E-04 3861 0.335E-02 0.579E-02 RMM: 9 -0.356016371913E+03 0.12311E-04 -0.23727E-05 2709 0.150E-02 4728 T= 6612. E= 0.68090402E+03 F= 0.62620752E+03 E0= 0.65604836E+03 EK= 0.54696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355767129974E+03 0.24925E+00 -0.17430E-01 8088 0.241E+01 0.411E-01 RMM: 2 -0.355784932591E+03 -0.17803E-01 -0.98599E-02 5243 0.719E-01 0.133E+00 RMM: 3 -0.355773050868E+03 0.11882E-01 -0.10368E-02 5382 0.230E-01 0.318E-01 RMM: 4 -0.355773634635E+03 -0.58377E-03 -0.25108E-03 5128 0.122E-01 0.464E-01 RMM: 5 -0.355772585949E+03 0.10487E-02 -0.17458E-03 4624 0.117E-01 0.273E-01 RMM: 6 -0.355772181388E+03 0.40456E-03 -0.43043E-04 4231 0.537E-02 0.128E-01 RMM: 7 -0.355772209479E+03 -0.28091E-04 -0.27511E-04 3943 0.496E-02 0.163E-01 RMM: 8 -0.355772041957E+03 0.16752E-03 -0.95366E-05 3742 0.294E-02 0.445E-02 RMM: 9 -0.355772053696E+03 -0.11739E-04 -0.25211E-05 2710 0.150E-02 4729 T= 6978. E= 0.68371897E+03 F= 0.62599300E+03 E0= 0.65582547E+03 EK= 0.57726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355315431492E+03 0.45661E+00 -0.18260E-01 8292 0.246E+01 0.408E-01 RMM: 2 -0.355336623025E+03 -0.21192E-01 -0.11218E-01 5255 0.773E-01 0.145E+00 RMM: 3 -0.355322450295E+03 0.14173E-01 -0.11742E-02 5415 0.243E-01 0.332E-01 RMM: 4 -0.355322442921E+03 0.73743E-05 -0.23907E-03 5097 0.118E-01 0.371E-01 RMM: 5 -0.355322073830E+03 0.36909E-03 -0.16147E-03 4612 0.112E-01 0.321E-01 RMM: 6 -0.355321508714E+03 0.56512E-03 -0.52171E-04 4542 0.596E-02 0.138E-01 RMM: 7 -0.355321493838E+03 0.14876E-04 -0.33416E-04 4077 0.537E-02 0.151E-01 RMM: 8 -0.355321353753E+03 0.14008E-03 -0.99277E-05 3686 0.298E-02 0.473E-02 RMM: 9 -0.355321357443E+03 -0.36896E-05 -0.24667E-05 2674 0.151E-02 4730 T= 7133. E= 0.68500417E+03 F= 0.62599192E+03 E0= 0.65581196E+03 EK= 0.59012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354603089355E+03 0.71826E+00 -0.18864E-01 8304 0.246E+01 0.410E-01 RMM: 2 -0.354618035468E+03 -0.14946E-01 -0.11752E-01 5209 0.763E-01 0.104E+00 RMM: 3 -0.354610434663E+03 0.76008E-02 -0.10886E-02 5437 0.226E-01 0.305E-01 RMM: 4 -0.354611490999E+03 -0.10563E-02 -0.24799E-03 5159 0.124E-01 0.534E-01 RMM: 5 -0.354609740586E+03 0.17504E-02 -0.16784E-03 4619 0.114E-01 0.200E-01 RMM: 6 -0.354609688849E+03 0.51737E-04 -0.45373E-04 4302 0.551E-02 0.190E-01 RMM: 7 -0.354609586859E+03 0.10199E-03 -0.25332E-04 3903 0.477E-02 0.156E-01 RMM: 8 -0.354609433828E+03 0.15303E-03 -0.89117E-05 3651 0.280E-02 0.457E-02 RMM: 9 -0.354609443627E+03 -0.97995E-05 -0.29186E-05 2778 0.160E-02 4731 T= 7001. E= 0.68416812E+03 F= 0.62625189E+03 E0= 0.65605716E+03 EK= 0.57916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353635986151E+03 0.97345E+00 -0.18958E-01 8196 0.241E+01 0.429E-01 RMM: 2 -0.353653534891E+03 -0.17549E-01 -0.11791E-01 5276 0.745E-01 0.121E+00 RMM: 3 -0.353642840861E+03 0.10694E-01 -0.10394E-02 5421 0.222E-01 0.301E-01 RMM: 4 -0.353643982152E+03 -0.11413E-02 -0.31167E-03 5239 0.141E-01 0.543E-01 RMM: 5 -0.353642247341E+03 0.17348E-02 -0.15432E-03 4619 0.107E-01 0.229E-01 RMM: 6 -0.353642034570E+03 0.21277E-03 -0.38092E-04 4181 0.502E-02 0.152E-01 RMM: 7 -0.353642004133E+03 0.30436E-04 -0.23979E-04 3897 0.466E-02 0.149E-01 RMM: 8 -0.353641863701E+03 0.14043E-03 -0.78168E-05 3565 0.267E-02 0.440E-02 RMM: 9 -0.353641874111E+03 -0.10410E-04 -0.23855E-05 2625 0.143E-02 4732 T= 6642. E= 0.68170930E+03 F= 0.62675992E+03 E0= 0.65654728E+03 EK= 0.54949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352480910971E+03 0.11610E+01 -0.19174E-01 8328 0.234E+01 0.457E-01 RMM: 2 -0.352494106665E+03 -0.13196E-01 -0.11629E-01 5263 0.726E-01 0.974E-01 RMM: 3 -0.352487200715E+03 0.69059E-02 -0.10171E-02 5406 0.223E-01 0.358E-01 RMM: 4 -0.352488935580E+03 -0.17349E-02 -0.30405E-03 5237 0.137E-01 0.644E-01 RMM: 5 -0.352486243659E+03 0.26919E-02 -0.15345E-03 4626 0.107E-01 0.176E-01 RMM: 6 -0.352486183383E+03 0.60276E-04 -0.34003E-04 4034 0.470E-02 0.159E-01 RMM: 7 -0.352486150353E+03 0.33030E-04 -0.17629E-04 3880 0.395E-02 0.152E-01 RMM: 8 -0.352485998495E+03 0.15186E-03 -0.77119E-05 3562 0.258E-02 0.383E-02 RMM: 9 -0.352486010664E+03 -0.12169E-04 -0.25309E-05 2692 0.145E-02 4733 T= 6214. E= 0.67884820E+03 F= 0.62744390E+03 E0= 0.65721177E+03 EK= 0.51404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351234793326E+03 0.12512E+01 -0.18780E-01 8412 0.227E+01 0.473E-01 RMM: 2 -0.351248431388E+03 -0.13638E-01 -0.10960E-01 5364 0.696E-01 0.107E+00 RMM: 3 -0.351240224289E+03 0.82071E-02 -0.94372E-03 5413 0.216E-01 0.375E-01 RMM: 4 -0.351242019187E+03 -0.17949E-02 -0.34547E-03 5093 0.147E-01 0.658E-01 RMM: 5 -0.351239242476E+03 0.27767E-02 -0.16188E-03 4623 0.109E-01 0.192E-01 RMM: 6 -0.351239112228E+03 0.13025E-03 -0.30809E-04 3952 0.448E-02 0.140E-01 RMM: 7 -0.351239098774E+03 0.13454E-04 -0.16863E-04 3882 0.381E-02 4734 T= 5873. E= 0.67678977E+03 F= 0.62820659E+03 E0= 0.65795343E+03 EK= 0.48583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349989622382E+03 0.12495E+01 -0.18403E-01 8676 0.223E+01 0.527E-01 RMM: 2 -0.350001785760E+03 -0.12163E-01 -0.11029E-01 5356 0.697E-01 0.103E+00 RMM: 3 -0.349994603883E+03 0.71819E-02 -0.10016E-02 5389 0.224E-01 0.438E-01 RMM: 4 -0.349996671103E+03 -0.20672E-02 -0.39565E-03 5095 0.157E-01 0.729E-01 RMM: 5 -0.349993269770E+03 0.34013E-02 -0.19354E-03 4614 0.118E-01 0.211E-01 RMM: 6 -0.349993103148E+03 0.16662E-03 -0.37492E-04 4149 0.488E-02 0.156E-01 RMM: 7 -0.349993088282E+03 0.14866E-04 -0.23141E-04 3894 0.435E-02 0.162E-01 RMM: 8 -0.349992920002E+03 0.16828E-03 -0.11301E-04 3785 0.312E-02 0.490E-02 RMM: 9 -0.349992932500E+03 -0.12498E-04 -0.30456E-05 2845 0.158E-02 4735 T= 5722. E= 0.67630005E+03 F= 0.62896133E+03 E0= 0.65868859E+03 EK= 0.47339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348806839778E+03 0.11861E+01 -0.18742E-01 8592 0.222E+01 0.417E-01 RMM: 2 -0.348822175680E+03 -0.15336E-01 -0.11422E-01 5345 0.691E-01 0.109E+00 RMM: 3 -0.348813254774E+03 0.89209E-02 -0.94912E-03 5408 0.216E-01 0.320E-01 RMM: 4 -0.348814743849E+03 -0.14891E-02 -0.27549E-03 5229 0.128E-01 0.586E-01 RMM: 5 -0.348812622437E+03 0.21214E-02 -0.12234E-03 4608 0.954E-02 0.199E-01 RMM: 6 -0.348812409717E+03 0.21272E-03 -0.28048E-04 3909 0.436E-02 0.984E-02 RMM: 7 -0.348812467315E+03 -0.57598E-04 -0.13028E-04 3879 0.315E-02 0.140E-01 RMM: 8 -0.348812334809E+03 0.13251E-03 -0.66479E-05 3489 0.244E-02 0.337E-02 RMM: 9 -0.348812333755E+03 0.10543E-05 -0.12731E-05 2504 0.103E-02 4736 T= 5805. E= 0.67767465E+03 F= 0.62965189E+03 E0= 0.65936082E+03 EK= 0.48023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347715560098E+03 0.10968E+01 -0.19755E-01 8784 0.226E+01 0.454E-01 RMM: 2 -0.347731019803E+03 -0.15460E-01 -0.12033E-01 5378 0.716E-01 0.109E+00 RMM: 3 -0.347722294082E+03 0.87257E-02 -0.10832E-02 5407 0.226E-01 0.336E-01 RMM: 4 -0.347723914514E+03 -0.16204E-02 -0.32615E-03 5147 0.140E-01 0.623E-01 RMM: 5 -0.347721513206E+03 0.24013E-02 -0.16155E-03 4625 0.110E-01 0.209E-01 RMM: 6 -0.347721324069E+03 0.18914E-03 -0.34048E-04 3970 0.471E-02 0.136E-01 RMM: 7 -0.347721328287E+03 -0.42186E-05 -0.19258E-04 3872 0.416E-02 4737 T= 6109. E= 0.68079720E+03 F= 0.63026329E+03 E0= 0.65995690E+03 EK= 0.50534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346688242194E+03 0.10331E+01 -0.22431E-01 8748 0.234E+01 0.436E-01 RMM: 2 -0.346704770575E+03 -0.16528E-01 -0.15055E-01 5304 0.820E-01 0.918E-01 RMM: 3 -0.346698554712E+03 0.62159E-02 -0.13522E-02 5534 0.235E-01 0.360E-01 RMM: 4 -0.346699841399E+03 -0.12867E-02 -0.31774E-03 5136 0.141E-01 0.608E-01 RMM: 5 -0.346697608105E+03 0.22333E-02 -0.18291E-03 4635 0.116E-01 0.206E-01 RMM: 6 -0.346697503257E+03 0.10485E-03 -0.45792E-04 4466 0.552E-02 0.176E-01 RMM: 7 -0.346697431542E+03 0.71715E-04 -0.27234E-04 4000 0.486E-02 0.158E-01 RMM: 8 -0.346697276712E+03 0.15483E-03 -0.98984E-05 3712 0.294E-02 0.514E-02 RMM: 9 -0.346697292453E+03 -0.15741E-04 -0.38402E-05 3050 0.177E-02 4738 T= 6557. E= 0.68507117E+03 F= 0.63082431E+03 E0= 0.66050824E+03 EK= 0.54247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345664707243E+03 0.10326E+01 -0.24848E-01 9000 0.243E+01 0.320E-01 RMM: 2 -0.345684247296E+03 -0.19540E-01 -0.15884E-01 5326 0.830E-01 0.970E-01 RMM: 3 -0.345676544384E+03 0.77029E-02 -0.12659E-02 5602 0.224E-01 0.232E-01 RMM: 4 -0.345676932284E+03 -0.38790E-03 -0.18917E-03 4881 0.106E-01 0.384E-01 RMM: 5 -0.345676105540E+03 0.82674E-03 -0.10405E-03 4610 0.895E-02 0.180E-01 RMM: 6 -0.345676012803E+03 0.92737E-04 -0.34337E-04 3974 0.477E-02 0.142E-01 RMM: 7 -0.345675991846E+03 0.20956E-04 -0.16211E-04 3869 0.388E-02 0.137E-01 RMM: 8 -0.345675871001E+03 0.12085E-03 -0.58686E-05 3407 0.228E-02 0.332E-02 RMM: 9 -0.345675870732E+03 0.26881E-06 -0.11577E-05 2497 0.101E-02 4739 T= 7001. E= 0.68932098E+03 F= 0.63140037E+03 E0= 0.66107744E+03 EK= 0.57921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344558199944E+03 0.11177E+01 -0.27649E-01 9036 0.250E+01 0.402E-01 RMM: 2 -0.344580296045E+03 -0.22096E-01 -0.18821E-01 5295 0.899E-01 0.103E+00 RMM: 3 -0.344571355664E+03 0.89404E-02 -0.14261E-02 5569 0.248E-01 0.318E-01 RMM: 4 -0.344571923288E+03 -0.56762E-03 -0.27143E-03 5253 0.129E-01 0.478E-01 RMM: 5 -0.344570674004E+03 0.12493E-02 -0.16295E-03 4612 0.111E-01 0.244E-01 RMM: 6 -0.344570445347E+03 0.22866E-03 -0.47605E-04 4429 0.562E-02 0.170E-01 RMM: 7 -0.344570396038E+03 0.49308E-04 -0.30687E-04 3953 0.515E-02 0.160E-01 RMM: 8 -0.344570233416E+03 0.16262E-03 -0.10946E-04 3767 0.314E-02 0.503E-02 RMM: 9 -0.344570237308E+03 -0.38925E-05 -0.33829E-05 2997 0.170E-02 4740 T= 7250. E= 0.69205129E+03 F= 0.63207403E+03 E0= 0.66174811E+03 EK= 0.59977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343295309977E+03 0.12749E+01 -0.28938E-01 9036 0.252E+01 0.355E-01 RMM: 2 -0.343315801211E+03 -0.20491E-01 -0.19219E-01 5484 0.876E-01 0.805E-01 RMM: 3 -0.343309028641E+03 0.67726E-02 -0.11827E-02 5662 0.220E-01 0.262E-01 RMM: 4 -0.343309740719E+03 -0.71208E-03 -0.23243E-03 5002 0.121E-01 0.468E-01 RMM: 5 -0.343308387166E+03 0.13536E-02 -0.12636E-03 4611 0.971E-02 0.156E-01 RMM: 6 -0.343308436358E+03 -0.49192E-04 -0.36492E-04 3982 0.492E-02 0.186E-01 RMM: 7 -0.343308282514E+03 0.15384E-03 -0.19624E-04 3875 0.435E-02 0.121E-01 RMM: 8 -0.343308191476E+03 0.91038E-04 -0.59587E-05 3390 0.228E-02 0.409E-02 RMM: 9 -0.343308200434E+03 -0.89579E-05 -0.21647E-05 2570 0.139E-02 4741 T= 7175. E= 0.69226822E+03 F= 0.63290960E+03 E0= 0.66258290E+03 EK= 0.59359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341852806879E+03 0.14554E+01 -0.29607E-01 8940 0.249E+01 0.403E-01 RMM: 2 -0.341872587711E+03 -0.19781E-01 -0.19720E-01 5458 0.890E-01 0.767E-01 RMM: 3 -0.341866672200E+03 0.59155E-02 -0.12683E-02 5526 0.235E-01 0.345E-01 RMM: 4 -0.341867769940E+03 -0.10977E-02 -0.28082E-03 5268 0.133E-01 0.558E-01 RMM: 5 -0.341865819987E+03 0.19500E-02 -0.13293E-03 4615 0.974E-02 0.189E-01 RMM: 6 -0.341865686377E+03 0.13361E-03 -0.36340E-04 4030 0.491E-02 0.137E-01 RMM: 7 -0.341865673289E+03 0.13088E-04 -0.17450E-04 3882 0.395E-02 4742 T= 6807. E= 0.69023729E+03 F= 0.63392250E+03 E0= 0.66359610E+03 EK= 0.56315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340263617855E+03 0.16021E+01 -0.28675E-01 8928 0.242E+01 0.492E-01 RMM: 2 -0.340282799868E+03 -0.19182E-01 -0.18850E-01 5492 0.874E-01 0.919E-01 RMM: 3 -0.340275735880E+03 0.70640E-02 -0.12803E-02 5408 0.248E-01 0.429E-01 RMM: 4 -0.340277665335E+03 -0.19295E-02 -0.35541E-03 5226 0.146E-01 0.712E-01 RMM: 5 -0.340274353319E+03 0.33120E-02 -0.18505E-03 4626 0.116E-01 0.156E-01 RMM: 6 -0.340274383892E+03 -0.30573E-04 -0.37848E-04 4090 0.488E-02 0.181E-01 RMM: 7 -0.340274277217E+03 0.10668E-03 -0.18024E-04 3876 0.395E-02 0.141E-01 RMM: 8 -0.340274150555E+03 0.12666E-03 -0.77144E-05 3547 0.255E-02 0.442E-02 RMM: 9 -0.340274168162E+03 -0.17607E-04 -0.33691E-05 2959 0.163E-02 4743 T= 6311. E= 0.68728711E+03 F= 0.63507498E+03 E0= 0.66474628E+03 EK= 0.52212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338589617963E+03 0.16845E+01 -0.26996E-01 8856 0.234E+01 0.401E-01 RMM: 2 -0.338606931447E+03 -0.17313E-01 -0.17274E-01 5625 0.834E-01 0.768E-01 RMM: 3 -0.338601556469E+03 0.53750E-02 -0.10597E-02 5417 0.224E-01 0.364E-01 RMM: 4 -0.338602707188E+03 -0.11507E-02 -0.24554E-03 5199 0.122E-01 0.557E-01 RMM: 5 -0.338600679439E+03 0.20277E-02 -0.10501E-03 4614 0.861E-02 0.153E-01 RMM: 6 -0.338600560335E+03 0.11910E-03 -0.23329E-04 3897 0.389E-02 0.892E-02 RMM: 7 -0.338600596605E+03 -0.36270E-04 -0.85733E-05 3635 0.263E-02 0.121E-01 RMM: 8 -0.338600499317E+03 0.97288E-04 -0.40111E-05 3147 0.195E-02 0.280E-02 RMM: 9 -0.338600501371E+03 -0.20537E-05 -0.12137E-05 2493 0.975E-03 4744 T= 5876. E= 0.68490752E+03 F= 0.63629877E+03 E0= 0.66596606E+03 EK= 0.48609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336906083575E+03 0.16944E+01 -0.24512E-01 8892 0.228E+01 0.492E-01 RMM: 2 -0.336923899182E+03 -0.17816E-01 -0.15435E-01 5570 0.800E-01 0.108E+00 RMM: 3 -0.336914985816E+03 0.89134E-02 -0.10613E-02 5400 0.226E-01 0.359E-01 RMM: 4 -0.336916986485E+03 -0.20007E-02 -0.34683E-03 5184 0.145E-01 0.684E-01 RMM: 5 -0.336914093373E+03 0.28931E-02 -0.15042E-03 4612 0.103E-01 0.203E-01 RMM: 6 -0.336913887326E+03 0.20605E-03 -0.33582E-04 4006 0.466E-02 0.120E-01 RMM: 7 -0.336913914250E+03 -0.26924E-04 -0.15403E-04 3877 0.350E-02 0.148E-01 RMM: 8 -0.336913771435E+03 0.14281E-03 -0.73056E-05 3527 0.251E-02 0.395E-02 RMM: 9 -0.336913777677E+03 -0.62419E-05 -0.22781E-05 2629 0.137E-02 4745 T= 5631. E= 0.68411278E+03 F= 0.63752894E+03 E0= 0.66718967E+03 EK= 0.46584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335253393374E+03 0.16604E+01 -0.23362E-01 9000 0.226E+01 0.447E-01 RMM: 2 -0.335271206519E+03 -0.17813E-01 -0.14512E-01 5502 0.777E-01 0.108E+00 RMM: 3 -0.335262319367E+03 0.88872E-02 -0.10648E-02 5393 0.229E-01 0.338E-01 RMM: 4 -0.335263896977E+03 -0.15776E-02 -0.31303E-03 5270 0.138E-01 0.604E-01 RMM: 5 -0.335261579889E+03 0.23171E-02 -0.13236E-03 4620 0.972E-02 0.190E-01 RMM: 6 -0.335261400377E+03 0.17951E-03 -0.29552E-04 3908 0.440E-02 0.112E-01 RMM: 7 -0.335261446881E+03 -0.46504E-04 -0.13911E-04 3875 0.328E-02 0.147E-01 RMM: 8 -0.335261305165E+03 0.14172E-03 -0.68958E-05 3492 0.245E-02 0.405E-02 RMM: 9 -0.335261305413E+03 -0.24811E-06 -0.18373E-05 2552 0.124E-02 4746 T= 5638. E= 0.68536969E+03 F= 0.63872670E+03 E0= 0.66837792E+03 EK= 0.46643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333651520981E+03 0.16098E+01 -0.22908E-01 8964 0.230E+01 0.429E-01 RMM: 2 -0.333671793284E+03 -0.20272E-01 -0.13612E-01 5555 0.758E-01 0.127E+00 RMM: 3 -0.333659843613E+03 0.11950E-01 -0.10075E-02 5404 0.221E-01 0.291E-01 RMM: 4 -0.333661254406E+03 -0.14108E-02 -0.29180E-03 5134 0.131E-01 0.571E-01 RMM: 5 -0.333659348617E+03 0.19058E-02 -0.11975E-03 4612 0.924E-02 0.220E-01 RMM: 6 -0.333659078109E+03 0.27051E-03 -0.32676E-04 3943 0.467E-02 0.106E-01 RMM: 7 -0.333659102945E+03 -0.24836E-04 -0.13935E-04 3875 0.346E-02 0.133E-01 RMM: 8 -0.333658988261E+03 0.11468E-03 -0.58895E-05 3402 0.228E-02 0.352E-02 RMM: 9 -0.333658993653E+03 -0.53910E-05 -0.18067E-05 2545 0.123E-02 4747 T= 5903. E= 0.68871926E+03 F= 0.63988599E+03 E0= 0.66952445E+03 EK= 0.48833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332082051373E+03 0.15769E+01 -0.24603E-01 9012 0.237E+01 0.385E-01 RMM: 2 -0.332101723003E+03 -0.19672E-01 -0.14630E-01 5419 0.798E-01 0.113E+00 RMM: 3 -0.332091985660E+03 0.97373E-02 -0.11113E-02 5454 0.227E-01 0.288E-01 RMM: 4 -0.332092667862E+03 -0.68220E-03 -0.24623E-03 5073 0.121E-01 0.458E-01 RMM: 5 -0.332091453260E+03 0.12146E-02 -0.11263E-03 4609 0.903E-02 0.208E-01 RMM: 6 -0.332091245450E+03 0.20781E-03 -0.31029E-04 3899 0.451E-02 0.120E-01 RMM: 7 -0.332091257246E+03 -0.11796E-04 -0.16164E-04 3880 0.374E-02 4748 T= 6372. E= 0.69374545E+03 F= 0.64102995E+03 E0= 0.67065186E+03 EK= 0.52716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330508522138E+03 0.15827E+01 -0.26135E-01 9048 0.247E+01 0.391E-01 RMM: 2 -0.330528006725E+03 -0.19485E-01 -0.15444E-01 5465 0.828E-01 0.107E+00 RMM: 3 -0.330519350080E+03 0.86566E-02 -0.11253E-02 5592 0.219E-01 0.303E-01 RMM: 4 -0.330519784401E+03 -0.43432E-03 -0.24687E-03 5062 0.124E-01 0.448E-01 RMM: 5 -0.330518622501E+03 0.11619E-02 -0.14639E-03 4608 0.104E-01 0.205E-01 RMM: 6 -0.330518547146E+03 0.75354E-04 -0.44255E-04 4296 0.540E-02 0.183E-01 RMM: 7 -0.330518448114E+03 0.99032E-04 -0.24966E-04 3890 0.464E-02 0.149E-01 RMM: 8 -0.330518307060E+03 0.14105E-03 -0.97007E-05 3641 0.294E-02 0.496E-02 RMM: 9 -0.330518314291E+03 -0.72313E-05 -0.27182E-05 2775 0.151E-02 4749 T= 6912. E= 0.69938249E+03 F= 0.64220103E+03 E0= 0.67179919E+03 EK= 0.57181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328888914649E+03 0.16294E+01 -0.28452E-01 9000 0.256E+01 0.312E-01 RMM: 2 -0.328911415675E+03 -0.22501E-01 -0.17331E-01 5297 0.893E-01 0.109E+00 RMM: 3 -0.328902217567E+03 0.91981E-02 -0.13592E-02 5630 0.240E-01 0.229E-01 RMM: 4 -0.328902299299E+03 -0.81731E-04 -0.16512E-03 4902 0.971E-02 0.314E-01 RMM: 5 -0.328901797012E+03 0.50229E-03 -0.80635E-04 4604 0.777E-02 0.188E-01 RMM: 6 -0.328901648366E+03 0.14865E-03 -0.31631E-04 3936 0.459E-02 0.121E-01 RMM: 7 -0.328901680607E+03 -0.32241E-04 -0.14667E-04 3871 0.352E-02 0.144E-01 RMM: 8 -0.328901544646E+03 0.13596E-03 -0.60961E-05 3418 0.232E-02 0.349E-02 RMM: 9 -0.328901542368E+03 0.22785E-05 -0.12121E-05 2498 0.101E-02 4750 T= 7313. E= 0.70393456E+03 F= 0.64343484E+03 E0= 0.67300122E+03 EK= 0.60500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327230431440E+03 0.16711E+01 -0.29031E-01 8844 0.260E+01 0.379E-01 RMM: 2 -0.327252150861E+03 -0.21719E-01 -0.16790E-01 5444 0.882E-01 0.113E+00 RMM: 3 -0.327242393975E+03 0.97569E-02 -0.12568E-02 5533 0.236E-01 0.266E-01 RMM: 4 -0.327243035317E+03 -0.64134E-03 -0.22455E-03 5070 0.116E-01 0.455E-01 RMM: 5 -0.327241866408E+03 0.11689E-02 -0.11698E-03 4598 0.918E-02 0.212E-01 RMM: 6 -0.327241708284E+03 0.15812E-03 -0.41463E-04 4155 0.525E-02 0.153E-01 RMM: 7 -0.327241676109E+03 0.32175E-04 -0.20077E-04 3881 0.422E-02 0.147E-01 RMM: 8 -0.327241536948E+03 0.13916E-03 -0.76288E-05 3554 0.260E-02 0.438E-02 RMM: 9 -0.327241540649E+03 -0.37011E-05 -0.24945E-05 2697 0.147E-02 4751 T= 7384. E= 0.70580636E+03 F= 0.64472341E+03 E0= 0.67424892E+03 EK= 0.61083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325588648224E+03 0.16529E+01 -0.27984E-01 8688 0.258E+01 0.374E-01 RMM: 2 -0.325611097769E+03 -0.22450E-01 -0.17388E-01 5274 0.902E-01 0.111E+00 RMM: 3 -0.325601392003E+03 0.97058E-02 -0.13954E-02 5465 0.254E-01 0.283E-01 RMM: 4 -0.325601942218E+03 -0.55022E-03 -0.24061E-03 5216 0.119E-01 0.434E-01 RMM: 5 -0.325600898643E+03 0.10436E-02 -0.10156E-03 4604 0.854E-02 0.213E-01 RMM: 6 -0.325600654335E+03 0.24431E-03 -0.30268E-04 3907 0.449E-02 0.109E-01 RMM: 7 -0.325600734092E+03 -0.79757E-04 -0.17091E-04 3883 0.361E-02 0.159E-01 RMM: 8 -0.325600567746E+03 0.16635E-03 -0.83696E-05 3610 0.274E-02 0.438E-02 RMM: 9 -0.325600564000E+03 0.37467E-05 -0.17868E-05 2544 0.124E-02 4752 T= 7088. E= 0.70463619E+03 F= 0.64599534E+03 E0= 0.67547102E+03 EK= 0.58641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324082507707E+03 0.15181E+01 -0.25720E-01 8532 0.251E+01 0.426E-01 RMM: 2 -0.324104559453E+03 -0.22052E-01 -0.17118E-01 5186 0.914E-01 0.118E+00 RMM: 3 -0.324094306959E+03 0.10252E-01 -0.15173E-02 5461 0.267E-01 0.290E-01 RMM: 4 -0.324095732424E+03 -0.14255E-02 -0.29089E-03 5295 0.131E-01 0.568E-01 RMM: 5 -0.324093753317E+03 0.19791E-02 -0.10793E-03 4606 0.862E-02 0.195E-01 RMM: 6 -0.324093557189E+03 0.19613E-03 -0.30503E-04 3939 0.451E-02 0.113E-01 RMM: 7 -0.324093616265E+03 -0.59077E-04 -0.15449E-04 3883 0.337E-02 0.152E-01 RMM: 8 -0.324093458029E+03 0.15824E-03 -0.87036E-05 3660 0.275E-02 0.374E-02 RMM: 9 -0.324093459497E+03 -0.14676E-05 -0.20188E-05 2596 0.132E-02 4753 T= 6580. E= 0.70156591E+03 F= 0.64712792E+03 E0= 0.67654824E+03 EK= 0.54438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322832445315E+03 0.12610E+01 -0.22396E-01 8280 0.242E+01 0.453E-01 RMM: 2 -0.322854878590E+03 -0.22433E-01 -0.16012E-01 5130 0.904E-01 0.129E+00 RMM: 3 -0.322843045726E+03 0.11833E-01 -0.15691E-02 5418 0.277E-01 0.360E-01 RMM: 4 -0.322843896810E+03 -0.85108E-03 -0.33130E-03 5324 0.138E-01 0.520E-01 RMM: 5 -0.322842213134E+03 0.16837E-02 -0.11745E-03 4611 0.910E-02 0.202E-01 RMM: 6 -0.322841976961E+03 0.23617E-03 -0.24910E-04 3894 0.404E-02 0.952E-02 RMM: 7 -0.322842068232E+03 -0.91271E-04 -0.15557E-04 3884 0.330E-02 0.156E-01 RMM: 8 -0.322841908453E+03 0.15978E-03 -0.77557E-05 3584 0.261E-02 0.465E-02 RMM: 9 -0.322841900457E+03 0.79959E-05 -0.18742E-05 2540 0.126E-02 4754 T= 6082. E= 0.69831375E+03 F= 0.64799543E+03 E0= 0.67735772E+03 EK= 0.50318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321926113083E+03 0.91580E+00 -0.19150E-01 8172 0.234E+01 0.461E-01 RMM: 2 -0.321946360183E+03 -0.20247E-01 -0.13458E-01 5163 0.838E-01 0.134E+00 RMM: 3 -0.321934209438E+03 0.12151E-01 -0.14441E-02 5419 0.267E-01 0.304E-01 RMM: 4 -0.321935666232E+03 -0.14568E-02 -0.30896E-03 5313 0.133E-01 0.575E-01 RMM: 5 -0.321933660637E+03 0.20056E-02 -0.11446E-03 4602 0.897E-02 0.221E-01 RMM: 6 -0.321933376242E+03 0.28439E-03 -0.31362E-04 3970 0.459E-02 0.102E-01 RMM: 7 -0.321933463025E+03 -0.86783E-04 -0.15898E-04 3885 0.335E-02 0.158E-01 RMM: 8 -0.321933292433E+03 0.17059E-03 -0.91725E-05 3718 0.283E-02 0.417E-02 RMM: 9 -0.321933288089E+03 0.43441E-05 -0.20792E-05 2643 0.134E-02 4755 T= 5764. E= 0.69619244E+03 F= 0.64851140E+03 E0= 0.67781666E+03 EK= 0.47681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321396522673E+03 0.53677E+00 -0.18226E-01 7884 0.232E+01 0.403E-01 RMM: 2 -0.321411008307E+03 -0.14486E-01 -0.12476E-01 5046 0.810E-01 0.944E-01 RMM: 3 -0.321404829499E+03 0.61788E-02 -0.12804E-02 5451 0.243E-01 0.334E-01 RMM: 4 -0.321405780932E+03 -0.95143E-03 -0.25113E-03 5255 0.123E-01 0.519E-01 RMM: 5 -0.321404019647E+03 0.17613E-02 -0.10730E-03 4608 0.874E-02 0.159E-01 RMM: 6 -0.321403916364E+03 0.10328E-03 -0.23244E-04 3896 0.388E-02 0.113E-01 RMM: 7 -0.321403937090E+03 -0.20726E-04 -0.13442E-04 3875 0.324E-02 0.136E-01 RMM: 8 -0.321403816798E+03 0.12029E-03 -0.64925E-05 3439 0.238E-02 0.366E-02 RMM: 9 -0.321403816350E+03 0.44849E-06 -0.16163E-05 2522 0.115E-02 4756 T= 5705. E= 0.69584193E+03 F= 0.64864496E+03 E0= 0.67789543E+03 EK= 0.47197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321233767621E+03 0.17005E+00 -0.17447E-01 7944 0.234E+01 0.413E-01 RMM: 2 -0.321252707891E+03 -0.18940E-01 -0.11109E-01 5165 0.783E-01 0.135E+00 RMM: 3 -0.321240568936E+03 0.12139E-01 -0.12263E-02 5469 0.247E-01 0.293E-01 RMM: 4 -0.321241180228E+03 -0.61129E-03 -0.23821E-03 5166 0.116E-01 0.451E-01 RMM: 5 -0.321240119417E+03 0.10608E-02 -0.10267E-03 4611 0.857E-02 0.246E-01 RMM: 6 -0.321239779977E+03 0.33944E-03 -0.39301E-04 4071 0.521E-02 0.111E-01 RMM: 7 -0.321239873913E+03 -0.93936E-04 -0.17582E-04 3879 0.366E-02 0.167E-01 RMM: 8 -0.321239689308E+03 0.18461E-03 -0.92857E-05 3720 0.288E-02 0.476E-02 RMM: 9 -0.321239680255E+03 0.90528E-05 -0.18488E-05 2570 0.127E-02 4757 T= 5917. E= 0.69736337E+03 F= 0.64841731E+03 E0= 0.67761593E+03 EK= 0.48946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321376720029E+03 -0.13703E+00 -0.18342E-01 8244 0.241E+01 0.358E-01 RMM: 2 -0.321392737247E+03 -0.16017E-01 -0.11060E-01 5241 0.770E-01 0.111E+00 RMM: 3 -0.321384176065E+03 0.85612E-02 -0.10841E-02 5509 0.222E-01 0.271E-01 RMM: 4 -0.321384491107E+03 -0.31504E-03 -0.19937E-03 4969 0.111E-01 0.383E-01 RMM: 5 -0.321383609905E+03 0.88120E-03 -0.96024E-04 4605 0.840E-02 0.184E-01 RMM: 6 -0.321383517148E+03 0.92757E-04 -0.31583E-04 3918 0.458E-02 0.150E-01 RMM: 7 -0.321383492116E+03 0.25031E-04 -0.17047E-04 3879 0.387E-02 0.145E-01 RMM: 8 -0.321383355355E+03 0.13676E-03 -0.68864E-05 3488 0.244E-02 0.411E-02 RMM: 9 -0.321383355015E+03 0.33983E-06 -0.19867E-05 2566 0.130E-02 4758 T= 6343. E= 0.70036948E+03 F= 0.64789237E+03 E0= 0.67704152E+03 EK= 0.52477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321735317037E+03 -0.35196E+00 -0.19154E-01 8028 0.249E+01 0.364E-01 RMM: 2 -0.321756094218E+03 -0.20777E-01 -0.12421E-01 5289 0.828E-01 0.134E+00 RMM: 3 -0.321743927328E+03 0.12167E-01 -0.12566E-02 5529 0.241E-01 0.277E-01 RMM: 4 -0.321743793135E+03 0.13419E-03 -0.17451E-03 4758 0.983E-02 0.301E-01 RMM: 5 -0.321743379913E+03 0.41322E-03 -0.96902E-04 4608 0.867E-02 0.226E-01 RMM: 6 -0.321743176834E+03 0.20308E-03 -0.42659E-04 4318 0.538E-02 0.149E-01 RMM: 7 -0.321743211618E+03 -0.34785E-04 -0.20964E-04 3885 0.405E-02 0.173E-01 RMM: 8 -0.321743014782E+03 0.19684E-03 -0.10483E-04 3774 0.305E-02 0.440E-02 RMM: 9 -0.321743013237E+03 0.15449E-05 -0.21221E-05 2610 0.134E-02 4759 T= 6854. E= 0.70386321E+03 F= 0.64716469E+03 E0= 0.67626640E+03 EK= 0.56699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322201269345E+03 -0.45825E+00 -0.20578E-01 7872 0.257E+01 0.349E-01 RMM: 2 -0.322221943047E+03 -0.20674E-01 -0.13827E-01 5250 0.869E-01 0.125E+00 RMM: 3 -0.322211302173E+03 0.10641E-01 -0.13855E-02 5627 0.244E-01 0.282E-01 RMM: 4 -0.322211070045E+03 0.23213E-03 -0.17111E-03 4818 0.989E-02 0.288E-01 RMM: 5 -0.322210584245E+03 0.48580E-03 -0.94455E-04 4612 0.853E-02 0.184E-01 RMM: 6 -0.322210562322E+03 0.21923E-04 -0.39347E-04 4179 0.513E-02 0.180E-01 RMM: 7 -0.322210477543E+03 0.84779E-04 -0.19613E-04 3889 0.407E-02 0.151E-01 RMM: 8 -0.322210330088E+03 0.14745E-03 -0.75062E-05 3540 0.254E-02 0.426E-02 RMM: 9 -0.322210332518E+03 -0.24298E-05 -0.23363E-05 2643 0.139E-02 4760 T= 7246. E= 0.70628442E+03 F= 0.64634062E+03 E0= 0.67539574E+03 EK= 0.59944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322689163482E+03 -0.47883E+00 -0.21528E-01 7644 0.260E+01 0.362E-01 RMM: 2 -0.322710456906E+03 -0.21293E-01 -0.14425E-01 5165 0.887E-01 0.125E+00 RMM: 3 -0.322699622475E+03 0.10834E-01 -0.15120E-02 5649 0.251E-01 0.282E-01 RMM: 4 -0.322699433111E+03 0.18936E-03 -0.17546E-03 4850 0.996E-02 0.308E-01 RMM: 5 -0.322699005298E+03 0.42781E-03 -0.96027E-04 4612 0.850E-02 0.229E-01 RMM: 6 -0.322698768192E+03 0.23711E-03 -0.44029E-04 4352 0.551E-02 0.138E-01 RMM: 7 -0.322698822060E+03 -0.53868E-04 -0.19907E-04 3895 0.396E-02 0.169E-01 RMM: 8 -0.322698628963E+03 0.19310E-03 -0.95701E-05 3752 0.291E-02 0.458E-02 RMM: 9 -0.322698624871E+03 0.40926E-05 -0.21969E-05 2623 0.135E-02 4761 T= 7335. E= 0.70617758E+03 F= 0.64550077E+03 E0= 0.67451104E+03 EK= 0.60677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323177987486E+03 -0.47936E+00 -0.21452E-01 7824 0.257E+01 0.393E-01 RMM: 2 -0.323200002155E+03 -0.22015E-01 -0.14360E-01 5042 0.883E-01 0.131E+00 RMM: 3 -0.323188115460E+03 0.11887E-01 -0.15943E-02 5609 0.263E-01 0.317E-01 RMM: 4 -0.323188236963E+03 -0.12150E-03 -0.23650E-03 5167 0.117E-01 0.388E-01 RMM: 5 -0.323187445634E+03 0.79133E-03 -0.97057E-04 4608 0.825E-02 0.226E-01 RMM: 6 -0.323187164312E+03 0.28132E-03 -0.33674E-04 3938 0.480E-02 0.114E-01 RMM: 7 -0.323187243967E+03 -0.79656E-04 -0.19391E-04 3901 0.388E-02 0.162E-01 RMM: 8 -0.323187071706E+03 0.17226E-03 -0.92112E-05 3675 0.282E-02 0.524E-02 RMM: 9 -0.323187058925E+03 0.12781E-04 -0.19020E-05 2565 0.127E-02 4762 T= 7078. E= 0.70321287E+03 F= 0.64465785E+03 E0= 0.67362633E+03 EK= 0.58555E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323714463548E+03 -0.52739E+00 -0.20389E-01 7944 0.250E+01 0.426E-01 RMM: 2 -0.323735646108E+03 -0.21183E-01 -0.13909E-01 4943 0.875E-01 0.131E+00 RMM: 3 -0.323723814668E+03 0.11831E-01 -0.16342E-02 5520 0.273E-01 0.304E-01 RMM: 4 -0.323724777085E+03 -0.96242E-03 -0.27193E-03 5269 0.125E-01 0.508E-01 RMM: 5 -0.323723272269E+03 0.15048E-02 -0.98901E-04 4615 0.827E-02 0.232E-01 RMM: 6 -0.323722944367E+03 0.32790E-03 -0.32228E-04 3928 0.466E-02 0.937E-02 RMM: 7 -0.323723039024E+03 -0.94658E-04 -0.16168E-04 3885 0.346E-02 0.155E-01 RMM: 8 -0.323722874932E+03 0.16409E-03 -0.82235E-05 3623 0.266E-02 0.457E-02 RMM: 9 -0.323722866450E+03 0.84818E-05 -0.19720E-05 2580 0.129E-02 4763 T= 6612. E= 0.69845236E+03 F= 0.64375714E+03 E0= 0.67268986E+03 EK= 0.54695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324372772267E+03 -0.64990E+00 -0.18634E-01 7968 0.240E+01 0.445E-01 RMM: 2 -0.324394300708E+03 -0.21528E-01 -0.12413E-01 5009 0.824E-01 0.143E+00 RMM: 3 -0.324380337030E+03 0.13964E-01 -0.14251E-02 5435 0.264E-01 0.313E-01 RMM: 4 -0.324381518830E+03 -0.11818E-02 -0.32744E-03 5322 0.139E-01 0.537E-01 RMM: 5 -0.324379828427E+03 0.16904E-02 -0.11459E-03 4608 0.901E-02 0.228E-01 RMM: 6 -0.324379485046E+03 0.34338E-03 -0.25737E-04 3908 0.417E-02 0.784E-02 RMM: 7 -0.324379559526E+03 -0.74480E-04 -0.14747E-04 3889 0.324E-02 0.139E-01 RMM: 8 -0.324379435533E+03 0.12399E-03 -0.67064E-05 3451 0.243E-02 0.486E-02 RMM: 9 -0.324379425076E+03 0.10457E-04 -0.17650E-05 2533 0.122E-02 4764 T= 6140. E= 0.69351543E+03 F= 0.64272085E+03 E0= 0.67162544E+03 EK= 0.50795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325196500028E+03 -0.81706E+00 -0.17311E-01 7824 0.233E+01 0.434E-01 RMM: 2 -0.325210504989E+03 -0.14005E-01 -0.11339E-01 4921 0.789E-01 0.103E+00 RMM: 3 -0.325203429560E+03 0.70754E-02 -0.13250E-02 5440 0.251E-01 0.328E-01 RMM: 4 -0.325205043205E+03 -0.16136E-02 -0.27411E-03 5284 0.127E-01 0.607E-01 RMM: 5 -0.325202713231E+03 0.23300E-02 -0.11325E-03 4607 0.888E-02 0.173E-01 RMM: 6 -0.325202561893E+03 0.15134E-03 -0.25924E-04 3899 0.410E-02 0.102E-01 RMM: 7 -0.325202611397E+03 -0.49504E-04 -0.12352E-04 3876 0.308E-02 0.139E-01 RMM: 8 -0.325202478148E+03 0.13325E-03 -0.64033E-05 3431 0.234E-02 0.380E-02 RMM: 9 -0.325202476668E+03 0.14800E-05 -0.19208E-05 2566 0.127E-02 4765 T= 5821. E= 0.68966065E+03 F= 0.64150329E+03 E0= 0.67038888E+03 EK= 0.48157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326175026478E+03 -0.97255E+00 -0.16877E-01 7692 0.231E+01 0.424E-01 RMM: 2 -0.326193823406E+03 -0.18797E-01 -0.11213E-01 4921 0.778E-01 0.131E+00 RMM: 3 -0.326181847272E+03 0.11976E-01 -0.12975E-02 5435 0.246E-01 0.271E-01 RMM: 4 -0.326183183125E+03 -0.13359E-02 -0.30033E-03 5311 0.135E-01 0.546E-01 RMM: 5 -0.326181396282E+03 0.17868E-02 -0.11737E-03 4615 0.920E-02 0.207E-01 RMM: 6 -0.326181129663E+03 0.26662E-03 -0.26640E-04 3888 0.418E-02 0.844E-02 RMM: 7 -0.326181157466E+03 -0.27803E-04 -0.11757E-04 3860 0.315E-02 0.118E-01 RMM: 8 -0.326181066514E+03 0.90953E-04 -0.45071E-05 3236 0.204E-02 0.362E-02 RMM: 9 -0.326181069857E+03 -0.33437E-05 -0.16753E-05 2526 0.117E-02 4766 T= 5728. E= 0.68750948E+03 F= 0.64011981E+03 E0= 0.66899555E+03 EK= 0.47390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327241440382E+03 -0.10604E+01 -0.17475E-01 8148 0.233E+01 0.384E-01 RMM: 2 -0.327254010797E+03 -0.12570E-01 -0.10325E-01 4966 0.744E-01 0.935E-01 RMM: 3 -0.327248103099E+03 0.59077E-02 -0.11562E-02 5513 0.228E-01 0.279E-01 RMM: 4 -0.327249162029E+03 -0.10589E-02 -0.22519E-03 5091 0.118E-01 0.517E-01 RMM: 5 -0.327247528019E+03 0.16340E-02 -0.11125E-03 4612 0.896E-02 0.181E-01 RMM: 6 -0.327247386057E+03 0.14196E-03 -0.33308E-04 3933 0.470E-02 0.121E-01 RMM: 7 -0.327247383195E+03 0.28617E-05 -0.14316E-04 3863 0.368E-02 4767 T= 5866. E= 0.68717196E+03 F= 0.63864522E+03 E0= 0.66752030E+03 EK= 0.48527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328286796249E+03 -0.10394E+01 -0.19269E-01 8136 0.239E+01 0.419E-01 RMM: 2 -0.328305855691E+03 -0.19059E-01 -0.13797E-01 5021 0.854E-01 0.119E+00 RMM: 3 -0.328296327878E+03 0.95278E-02 -0.15013E-02 5632 0.248E-01 0.310E-01 RMM: 4 -0.328296801345E+03 -0.47347E-03 -0.26645E-03 5265 0.128E-01 0.473E-01 RMM: 5 -0.328295482847E+03 0.13185E-02 -0.16175E-03 4619 0.110E-01 0.204E-01 RMM: 6 -0.328295399169E+03 0.83678E-04 -0.41247E-04 4151 0.525E-02 0.180E-01 RMM: 7 -0.328295280572E+03 0.11860E-03 -0.26521E-04 3914 0.491E-02 0.141E-01 RMM: 8 -0.328295156831E+03 0.12374E-03 -0.92670E-05 3673 0.285E-02 0.514E-02 RMM: 9 -0.328295170038E+03 -0.13208E-04 -0.33258E-05 2954 0.167E-02 4768 T= 6184. E= 0.68835015E+03 F= 0.63719269E+03 E0= 0.66607415E+03 EK= 0.51157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329196536620E+03 -0.90138E+00 -0.21590E-01 8556 0.246E+01 0.324E-01 RMM: 2 -0.329216037904E+03 -0.19501E-01 -0.14391E-01 5118 0.864E-01 0.110E+00 RMM: 3 -0.329207725271E+03 0.83126E-02 -0.14646E-02 5672 0.241E-01 0.254E-01 RMM: 4 -0.329207567688E+03 0.15758E-03 -0.15973E-03 4817 0.952E-02 0.292E-01 RMM: 5 -0.329207112625E+03 0.45506E-03 -0.89637E-04 4608 0.829E-02 0.184E-01 RMM: 6 -0.329207015474E+03 0.97150E-04 -0.42494E-04 4233 0.536E-02 0.144E-01 RMM: 7 -0.329206967770E+03 0.47705E-04 -0.14865E-04 3879 0.367E-02 0.123E-01 RMM: 8 -0.329206867374E+03 0.10040E-03 -0.36882E-05 3080 0.187E-02 0.333E-02 RMM: 9 -0.329206870394E+03 -0.30204E-05 -0.17652E-05 2525 0.120E-02 4769 T= 6580. E= 0.69031853E+03 F= 0.63588415E+03 E0= 0.66477867E+03 EK= 0.54434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329873716325E+03 -0.66685E+00 -0.24995E-01 8580 0.253E+01 0.369E-01 RMM: 2 -0.329893914927E+03 -0.20199E-01 -0.16786E-01 5146 0.931E-01 0.105E+00 RMM: 3 -0.329886529844E+03 0.73851E-02 -0.16096E-02 5837 0.245E-01 0.269E-01 RMM: 4 -0.329886648198E+03 -0.11835E-03 -0.19277E-03 4970 0.111E-01 0.397E-01 RMM: 5 -0.329885699201E+03 0.94900E-03 -0.13047E-03 4611 0.996E-02 0.187E-01 RMM: 6 -0.329885755115E+03 -0.55915E-04 -0.48408E-04 4421 0.561E-02 0.211E-01 RMM: 7 -0.329885541536E+03 0.21358E-03 -0.23243E-04 3886 0.446E-02 0.131E-01 RMM: 8 -0.329885433533E+03 0.10800E-03 -0.67856E-05 3457 0.245E-02 0.458E-02 RMM: 9 -0.329885442249E+03 -0.87165E-05 -0.34088E-05 2933 0.167E-02 4770 T= 6910. E= 0.69198015E+03 F= 0.63481708E+03 E0= 0.66372684E+03 EK= 0.57163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330276739948E+03 -0.39131E+00 -0.27297E-01 8640 0.256E+01 0.361E-01 RMM: 2 -0.330298769326E+03 -0.22029E-01 -0.17379E-01 5178 0.938E-01 0.111E+00 RMM: 3 -0.330290167637E+03 0.86017E-02 -0.16330E-02 5810 0.250E-01 0.270E-01 RMM: 4 -0.330290101922E+03 0.65715E-04 -0.19180E-03 4947 0.108E-01 0.344E-01 RMM: 5 -0.330289402901E+03 0.69902E-03 -0.10871E-03 4608 0.902E-02 0.188E-01 RMM: 6 -0.330289367221E+03 0.35680E-04 -0.45622E-04 4341 0.548E-02 0.179E-01 RMM: 7 -0.330289265782E+03 0.10144E-03 -0.18093E-04 3886 0.397E-02 0.137E-01 RMM: 8 -0.330289143500E+03 0.12228E-03 -0.55650E-05 3365 0.224E-02 0.422E-02 RMM: 9 -0.330289150537E+03 -0.70363E-05 -0.26891E-05 2728 0.148E-02 4771 T= 7038. E= 0.69225289E+03 F= 0.63402995E+03 E0= 0.66295527E+03 EK= 0.58223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330432846309E+03 -0.14370E+00 -0.28436E-01 8868 0.254E+01 0.368E-01 RMM: 2 -0.330449823804E+03 -0.16977E-01 -0.16415E-01 5219 0.883E-01 0.778E-01 RMM: 3 -0.330445034038E+03 0.47898E-02 -0.13565E-02 5785 0.229E-01 0.273E-01 RMM: 4 -0.330445773959E+03 -0.73992E-03 -0.22016E-03 5104 0.120E-01 0.485E-01 RMM: 5 -0.330444275397E+03 0.14986E-02 -0.10188E-03 4609 0.843E-02 0.142E-01 RMM: 6 -0.330444332436E+03 -0.57039E-04 -0.30761E-04 3925 0.447E-02 0.174E-01 RMM: 7 -0.330444225033E+03 0.10740E-03 -0.13902E-04 3882 0.351E-02 0.127E-01 RMM: 8 -0.330444118179E+03 0.10685E-03 -0.61378E-05 3423 0.225E-02 0.364E-02 RMM: 9 -0.330444125270E+03 -0.70907E-05 -0.24057E-05 2622 0.143E-02 4772 T= 6914. E= 0.69068793E+03 F= 0.63349112E+03 E0= 0.66242945E+03 EK= 0.57197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330412589422E+03 0.31529E-01 -0.28300E-01 8856 0.248E+01 0.396E-01 RMM: 2 -0.330431615044E+03 -0.19026E-01 -0.16759E-01 5151 0.894E-01 0.956E-01 RMM: 3 -0.330424657239E+03 0.69578E-02 -0.14379E-02 5731 0.240E-01 0.268E-01 RMM: 4 -0.330425678215E+03 -0.10210E-02 -0.25537E-03 5251 0.127E-01 0.518E-01 RMM: 5 -0.330423971903E+03 0.17063E-02 -0.11121E-03 4614 0.893E-02 0.165E-01 RMM: 6 -0.330423897471E+03 0.74433E-04 -0.27138E-04 3909 0.419E-02 0.134E-01 RMM: 7 -0.330423875931E+03 0.21540E-04 -0.13104E-04 3877 0.334E-02 0.129E-01 RMM: 8 -0.330423764872E+03 0.11106E-03 -0.58101E-05 3395 0.222E-02 0.338E-02 RMM: 9 -0.330423774234E+03 -0.93614E-05 -0.18419E-05 2553 0.122E-02 4773 T= 6605. E= 0.68776065E+03 F= 0.63312165E+03 E0= 0.66206969E+03 EK= 0.54639E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330302753080E+03 0.12101E+00 -0.27771E-01 8676 0.241E+01 0.412E-01 RMM: 2 -0.330319406681E+03 -0.16654E-01 -0.17383E-01 5285 0.888E-01 0.714E-01 RMM: 3 -0.330315378814E+03 0.40279E-02 -0.14087E-02 5621 0.242E-01 0.366E-01 RMM: 4 -0.330316222343E+03 -0.84353E-03 -0.22369E-03 5193 0.117E-01 0.541E-01 RMM: 5 -0.330314275774E+03 0.19466E-02 -0.10085E-03 4613 0.839E-02 0.134E-01 RMM: 6 -0.330314256087E+03 0.19687E-04 -0.28734E-04 3934 0.430E-02 0.132E-01 RMM: 7 -0.330314176648E+03 0.79439E-04 -0.10651E-04 3860 0.308E-02 0.898E-02 RMM: 8 -0.330314125462E+03 0.51186E-04 -0.28151E-05 2895 0.159E-02 0.338E-02 RMM: 9 -0.330314136230E+03 -0.10767E-04 -0.20185E-05 2552 0.127E-02 4774 T= 6247. E= 0.68451327E+03 F= 0.63283206E+03 E0= 0.66178662E+03 EK= 0.51681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330177688478E+03 0.13644E+00 -0.26929E-01 8976 0.234E+01 0.418E-01 RMM: 2 -0.330193826025E+03 -0.16138E-01 -0.16544E-01 5241 0.874E-01 0.741E-01 RMM: 3 -0.330189601696E+03 0.42243E-02 -0.13393E-02 5557 0.244E-01 0.356E-01 RMM: 4 -0.330190187965E+03 -0.58627E-03 -0.22771E-03 5225 0.117E-01 0.502E-01 RMM: 5 -0.330188503588E+03 0.16844E-02 -0.10803E-03 4611 0.877E-02 0.990E-02 RMM: 6 -0.330188621819E+03 -0.11823E-03 -0.23689E-04 3898 0.385E-02 0.172E-01 RMM: 7 -0.330188471077E+03 0.15074E-03 -0.98620E-05 3757 0.294E-02 0.963E-02 RMM: 8 -0.330188410876E+03 0.60201E-04 -0.38563E-05 3110 0.179E-02 0.319E-02 RMM: 9 -0.330188421982E+03 -0.11107E-04 -0.20720E-05 2560 0.133E-02 4775 T= 5972. E= 0.68195112E+03 F= 0.63254913E+03 E0= 0.66150856E+03 EK= 0.49402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330086793738E+03 0.10162E+00 -0.26869E-01 8760 0.229E+01 0.418E-01 RMM: 2 -0.330102945562E+03 -0.16152E-01 -0.16161E-01 5398 0.855E-01 0.771E-01 RMM: 3 -0.330098461774E+03 0.44838E-02 -0.11992E-02 5508 0.234E-01 0.371E-01 RMM: 4 -0.330099506948E+03 -0.10452E-02 -0.24878E-03 5260 0.124E-01 0.563E-01 RMM: 5 -0.330097396284E+03 0.21107E-02 -0.11704E-03 4612 0.915E-02 0.143E-01 RMM: 6 -0.330097366031E+03 0.30253E-04 -0.27766E-04 3927 0.425E-02 0.136E-01 RMM: 7 -0.330097334052E+03 0.31979E-04 -0.11326E-04 3835 0.305E-02 0.127E-01 RMM: 8 -0.330097229547E+03 0.10450E-03 -0.51257E-05 3315 0.208E-02 0.359E-02 RMM: 9 -0.330097235384E+03 -0.58375E-05 -0.20630E-05 2573 0.131E-02 4776 T= 5860. E= 0.68070323E+03 F= 0.63222578E+03 E0= 0.66118937E+03 EK= 0.48477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330055998862E+03 0.41231E-01 -0.27071E-01 8820 0.228E+01 0.402E-01 RMM: 2 -0.330072057610E+03 -0.16059E-01 -0.15559E-01 5636 0.806E-01 0.799E-01 RMM: 3 -0.330066942958E+03 0.51147E-02 -0.99040E-03 5462 0.219E-01 0.314E-01 RMM: 4 -0.330067834937E+03 -0.89198E-03 -0.21300E-03 5157 0.116E-01 0.510E-01 RMM: 5 -0.330066146133E+03 0.16888E-02 -0.92896E-04 4608 0.811E-02 0.136E-01 RMM: 6 -0.330066180905E+03 -0.34772E-04 -0.26776E-04 3901 0.414E-02 0.159E-01 RMM: 7 -0.330066080965E+03 0.99940E-04 -0.11602E-04 3840 0.318E-02 0.113E-01 RMM: 8 -0.330065995525E+03 0.85440E-04 -0.51245E-05 3306 0.206E-02 0.327E-02 RMM: 9 -0.330066006027E+03 -0.10502E-04 -0.21110E-05 2576 0.133E-02 4777 T= 5940. E= 0.68098159E+03 F= 0.63184240E+03 E0= 0.66081065E+03 EK= 0.49139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330078521603E+03 -0.12526E-01 -0.29816E-01 8916 0.230E+01 0.375E-01 RMM: 2 -0.330096907579E+03 -0.18386E-01 -0.17242E-01 5523 0.838E-01 0.808E-01 RMM: 3 -0.330091177545E+03 0.57300E-02 -0.11113E-02 5497 0.224E-01 0.306E-01 RMM: 4 -0.330092054221E+03 -0.87668E-03 -0.22947E-03 5190 0.121E-01 0.502E-01 RMM: 5 -0.330090430870E+03 0.16234E-02 -0.10206E-03 4605 0.852E-02 0.151E-01 RMM: 6 -0.330090420986E+03 0.98847E-05 -0.29681E-04 3926 0.436E-02 0.153E-01 RMM: 7 -0.330090348582E+03 0.72404E-04 -0.12853E-04 3875 0.335E-02 0.122E-01 RMM: 8 -0.330090250491E+03 0.98091E-04 -0.50138E-05 3304 0.206E-02 0.359E-02 RMM: 9 -0.330090258242E+03 -0.77507E-05 -0.21246E-05 2581 0.133E-02 4778 T= 6190. E= 0.68261623E+03 F= 0.63140947E+03 E0= 0.66038200E+03 EK= 0.51207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330117598515E+03 -0.27348E-01 -0.33458E-01 8892 0.235E+01 0.370E-01 RMM: 2 -0.330140066958E+03 -0.22468E-01 -0.19497E-01 5567 0.876E-01 0.960E-01 RMM: 3 -0.330132005489E+03 0.80615E-02 -0.12211E-02 5538 0.231E-01 0.246E-01 RMM: 4 -0.330132758664E+03 -0.75318E-03 -0.22170E-03 5144 0.118E-01 0.462E-01 RMM: 5 -0.330131414811E+03 0.13439E-02 -0.96732E-04 4609 0.824E-02 0.147E-01 RMM: 6 -0.330131482717E+03 -0.67906E-04 -0.33481E-04 3976 0.464E-02 0.181E-01 RMM: 7 -0.330131353666E+03 0.12905E-03 -0.14557E-04 3877 0.362E-02 0.128E-01 RMM: 8 -0.330131246375E+03 0.10729E-03 -0.55448E-05 3363 0.214E-02 0.370E-02 RMM: 9 -0.330131254712E+03 -0.83368E-05 -0.21972E-05 2590 0.135E-02 4779 T= 6536. E= 0.68503961E+03 F= 0.63096976E+03 E0= 0.65994566E+03 EK= 0.54070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330107396796E+03 0.23850E-01 -0.40468E-01 8880 0.240E+01 0.350E-01 RMM: 2 -0.330134075343E+03 -0.26679E-01 -0.23066E-01 5643 0.950E-01 0.966E-01 RMM: 3 -0.330125211646E+03 0.88637E-02 -0.13994E-02 5537 0.243E-01 0.253E-01 RMM: 4 -0.330125758055E+03 -0.54641E-03 -0.21595E-03 5104 0.116E-01 0.435E-01 RMM: 5 -0.330124597810E+03 0.11602E-02 -0.95931E-04 4602 0.827E-02 0.163E-01 RMM: 6 -0.330124651352E+03 -0.53542E-04 -0.37768E-04 4020 0.488E-02 0.191E-01 RMM: 7 -0.330124496719E+03 0.15463E-03 -0.17708E-04 3886 0.394E-02 0.125E-01 RMM: 8 -0.330124396133E+03 0.10059E-03 -0.56191E-05 3364 0.218E-02 0.394E-02 RMM: 9 -0.330124405664E+03 -0.95305E-05 -0.23261E-05 2592 0.137E-02 4780 T= 6857. E= 0.68731078E+03 F= 0.63058849E+03 E0= 0.65956377E+03 EK= 0.56722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329982941523E+03 0.14145E+00 -0.49572E-01 8928 0.243E+01 0.359E-01 RMM: 2 -0.330012151152E+03 -0.29210E-01 -0.25683E-01 5655 0.101E+00 0.981E-01 RMM: 3 -0.330003214744E+03 0.89364E-02 -0.15151E-02 5600 0.256E-01 0.257E-01 RMM: 4 -0.330003687323E+03 -0.47258E-03 -0.22011E-03 5124 0.114E-01 0.426E-01 RMM: 5 -0.330002601486E+03 0.10858E-02 -0.95538E-04 4612 0.821E-02 0.179E-01 RMM: 6 -0.330002605768E+03 -0.42816E-05 -0.40339E-04 4179 0.510E-02 0.184E-01 RMM: 7 -0.330002511653E+03 0.94115E-04 -0.18182E-04 3878 0.391E-02 0.148E-01 RMM: 8 -0.330002367706E+03 0.14395E-03 -0.73987E-05 3516 0.251E-02 0.399E-02 RMM: 9 -0.330002376122E+03 -0.84163E-05 -0.25196E-05 2684 0.143E-02 4781 T= 7019. E= 0.68839419E+03 F= 0.63033022E+03 E0= 0.65929848E+03 EK= 0.58064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329702352684E+03 0.30002E+00 -0.56827E-01 8868 0.243E+01 0.374E-01 RMM: 2 -0.329734412329E+03 -0.32060E-01 -0.28039E-01 5776 0.106E+00 0.102E+00 RMM: 3 -0.329724701909E+03 0.97104E-02 -0.16288E-02 5566 0.264E-01 0.264E-01 RMM: 4 -0.329725244474E+03 -0.54256E-03 -0.25036E-03 5225 0.122E-01 0.446E-01 RMM: 5 -0.329724014797E+03 0.12297E-02 -0.11083E-03 4610 0.891E-02 0.164E-01 RMM: 6 -0.329724063557E+03 -0.48759E-04 -0.36543E-04 3976 0.484E-02 0.189E-01 RMM: 7 -0.329723951340E+03 0.11222E-03 -0.17420E-04 3884 0.384E-02 0.144E-01 RMM: 8 -0.329723817063E+03 0.13428E-03 -0.70385E-05 3496 0.242E-02 0.431E-02 RMM: 9 -0.329723821189E+03 -0.41263E-05 -0.21939E-05 2583 0.134E-02 4782 T= 6948. E= 0.68770998E+03 F= 0.63023122E+03 E0= 0.65918285E+03 EK= 0.57479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329281448871E+03 0.44237E+00 -0.60544E-01 8772 0.239E+01 0.409E-01 RMM: 2 -0.329313147718E+03 -0.31699E-01 -0.26679E-01 6163 0.102E+00 0.114E+00 RMM: 3 -0.329302205917E+03 0.10942E-01 -0.13241E-02 5452 0.250E-01 0.281E-01 RMM: 4 -0.329303209910E+03 -0.10040E-02 -0.26892E-03 5254 0.124E-01 0.510E-01 RMM: 5 -0.329301647063E+03 0.15628E-02 -0.10473E-03 4611 0.861E-02 0.200E-01 RMM: 6 -0.329301501530E+03 0.14553E-03 -0.37016E-04 4014 0.491E-02 0.144E-01 RMM: 7 -0.329301526766E+03 -0.25236E-04 -0.17489E-04 3886 0.375E-02 0.162E-01 RMM: 8 -0.329301353671E+03 0.17309E-03 -0.85095E-05 3592 0.268E-02 0.406E-02 RMM: 9 -0.329301356478E+03 -0.28071E-05 -0.21302E-05 2601 0.133E-02 4783 T= 6679. E= 0.68552402E+03 F= 0.63027343E+03 E0= 0.65919864E+03 EK= 0.55251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328783711510E+03 0.51764E+00 -0.61413E-01 8844 0.234E+01 0.438E-01 RMM: 2 -0.328817077832E+03 -0.33366E-01 -0.26632E-01 6044 0.102E+00 0.126E+00 RMM: 3 -0.328803957463E+03 0.13120E-01 -0.14305E-02 5437 0.261E-01 0.305E-01 RMM: 4 -0.328805100638E+03 -0.11432E-02 -0.31930E-03 5310 0.135E-01 0.542E-01 RMM: 5 -0.328803292373E+03 0.18083E-02 -0.12785E-03 4611 0.961E-02 0.193E-01 RMM: 6 -0.328803135425E+03 0.15695E-03 -0.31234E-04 3919 0.448E-02 0.128E-01 RMM: 7 -0.328803186750E+03 -0.51325E-04 -0.16369E-04 3892 0.352E-02 0.157E-01 RMM: 8 -0.328803021480E+03 0.16527E-03 -0.81568E-05 3578 0.265E-02 0.462E-02 RMM: 9 -0.328803017066E+03 0.44132E-05 -0.18333E-05 2554 0.123E-02 4784 T= 6331. E= 0.68275923E+03 F= 0.63038508E+03 E0= 0.65927442E+03 EK= 0.52374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328313951843E+03 0.48907E+00 -0.56321E-01 8784 0.228E+01 0.463E-01 RMM: 2 -0.328347357428E+03 -0.33406E-01 -0.24581E-01 5972 0.977E-01 0.140E+00 RMM: 3 -0.328331652950E+03 0.15704E-01 -0.14543E-02 5429 0.264E-01 0.320E-01 RMM: 4 -0.328333126441E+03 -0.14735E-02 -0.33045E-03 5301 0.136E-01 0.585E-01 RMM: 5 -0.328331064554E+03 0.20619E-02 -0.11258E-03 4621 0.885E-02 0.230E-01 RMM: 6 -0.328330765024E+03 0.29953E-03 -0.36151E-04 3974 0.486E-02 0.109E-01 RMM: 7 -0.328330859202E+03 -0.94178E-04 -0.17118E-04 3888 0.354E-02 0.165E-01 RMM: 8 -0.328330674932E+03 0.18427E-03 -0.90869E-05 3630 0.278E-02 0.376E-02 RMM: 9 -0.328330677373E+03 -0.24413E-05 -0.21429E-05 2636 0.134E-02 4785 T= 6040. E= 0.68043445E+03 F= 0.63046359E+03 E0= 0.65931119E+03 EK= 0.49971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327973857300E+03 0.35682E+00 -0.49255E-01 8784 0.225E+01 0.448E-01 RMM: 2 -0.328002667477E+03 -0.28810E-01 -0.22090E-01 5899 0.931E-01 0.128E+00 RMM: 3 -0.327989674964E+03 0.12993E-01 -0.13108E-02 5455 0.244E-01 0.328E-01 RMM: 4 -0.327990832628E+03 -0.11577E-02 -0.33345E-03 5274 0.138E-01 0.554E-01 RMM: 5 -0.327988893370E+03 0.19393E-02 -0.13043E-03 4612 0.972E-02 0.175E-01 RMM: 6 -0.327988759015E+03 0.13435E-03 -0.26051E-04 3901 0.408E-02 0.117E-01 RMM: 7 -0.327988801770E+03 -0.42755E-04 -0.14396E-04 3884 0.325E-02 0.146E-01 RMM: 8 -0.327988660822E+03 0.14095E-03 -0.73432E-05 3521 0.253E-02 0.445E-02 RMM: 9 -0.327988656276E+03 0.45462E-05 -0.16669E-05 2535 0.118E-02 4786 T= 5904. E= 0.67925209E+03 F= 0.63040733E+03 E0= 0.65921045E+03 EK= 0.48845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327850859747E+03 0.13780E+00 -0.41943E-01 8820 0.226E+01 0.436E-01 RMM: 2 -0.327877765198E+03 -0.26905E-01 -0.20780E-01 5559 0.931E-01 0.123E+00 RMM: 3 -0.327865701544E+03 0.12064E-01 -0.14987E-02 5513 0.260E-01 0.297E-01 RMM: 4 -0.327867050788E+03 -0.13492E-02 -0.28724E-03 5228 0.127E-01 0.561E-01 RMM: 5 -0.327865103633E+03 0.19472E-02 -0.10799E-03 4607 0.865E-02 0.207E-01 RMM: 6 -0.327864882626E+03 0.22101E-03 -0.31730E-04 3927 0.454E-02 0.111E-01 RMM: 7 -0.327864954819E+03 -0.72193E-04 -0.14915E-04 3881 0.334E-02 0.155E-01 RMM: 8 -0.327864791519E+03 0.16330E-03 -0.79510E-05 3569 0.263E-02 0.400E-02 RMM: 9 -0.327864790691E+03 0.82783E-06 -0.18777E-05 2560 0.127E-02 4787 T= 5966. E= 0.67948986E+03 F= 0.63013352E+03 E0= 0.65889252E+03 EK= 0.49356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328007029334E+03 -0.14224E+00 -0.35315E-01 9000 0.230E+01 0.411E-01 RMM: 2 -0.328034051289E+03 -0.27022E-01 -0.19391E-01 5359 0.921E-01 0.130E+00 RMM: 3 -0.328021138785E+03 0.12913E-01 -0.15370E-02 5597 0.255E-01 0.280E-01 RMM: 4 -0.328021907637E+03 -0.76885E-03 -0.28808E-03 5276 0.129E-01 0.483E-01 RMM: 5 -0.328020546005E+03 0.13616E-02 -0.11555E-03 4606 0.912E-02 0.202E-01 RMM: 6 -0.328020333298E+03 0.21271E-03 -0.27113E-04 3897 0.421E-02 0.107E-01 RMM: 7 -0.328020385414E+03 -0.52117E-04 -0.14391E-04 3885 0.335E-02 0.145E-01 RMM: 8 -0.328020248622E+03 0.13679E-03 -0.67000E-05 3460 0.244E-02 0.437E-02 RMM: 9 -0.328020245249E+03 0.33735E-05 -0.18089E-05 2540 0.125E-02 4788 T= 6216. E= 0.68101342E+03 F= 0.62958636E+03 E0= 0.65830384E+03 EK= 0.51427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328464624831E+03 -0.44438E+00 -0.31241E-01 9012 0.237E+01 0.381E-01 RMM: 2 -0.328490363075E+03 -0.25738E-01 -0.18951E-01 5211 0.950E-01 0.121E+00 RMM: 3 -0.328478897948E+03 0.11465E-01 -0.16315E-02 5568 0.266E-01 0.270E-01 RMM: 4 -0.328479477315E+03 -0.57937E-03 -0.24162E-03 5149 0.118E-01 0.440E-01 RMM: 5 -0.328478356746E+03 0.11206E-02 -0.98293E-04 4609 0.832E-02 0.204E-01 RMM: 6 -0.328478166535E+03 0.19021E-03 -0.33391E-04 3956 0.471E-02 0.125E-01 RMM: 7 -0.328478201244E+03 -0.34709E-04 -0.15607E-04 3878 0.360E-02 0.149E-01 RMM: 8 -0.328478054052E+03 0.14719E-03 -0.72688E-05 3535 0.254E-02 0.421E-02 RMM: 9 -0.328478053333E+03 0.71975E-06 -0.17934E-05 2550 0.124E-02 4789 T= 6588. E= 0.68324697E+03 F= 0.62874640E+03 E0= 0.65742681E+03 EK= 0.54501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329206946437E+03 -0.72889E+00 -0.27042E-01 9084 0.245E+01 0.380E-01 RMM: 2 -0.329233185251E+03 -0.26239E-01 -0.16460E-01 5322 0.893E-01 0.139E+00 RMM: 3 -0.329219283770E+03 0.13901E-01 -0.14259E-02 5484 0.257E-01 0.294E-01 RMM: 4 -0.329219413294E+03 -0.12952E-03 -0.23057E-03 5100 0.114E-01 0.367E-01 RMM: 5 -0.329218817395E+03 0.59590E-03 -0.10341E-03 4604 0.877E-02 0.243E-01 RMM: 6 -0.329218487168E+03 0.33023E-03 -0.35549E-04 3950 0.489E-02 0.116E-01 RMM: 7 -0.329218533896E+03 -0.46728E-04 -0.18803E-04 3887 0.398E-02 0.151E-01 RMM: 8 -0.329218386966E+03 0.14693E-03 -0.78017E-05 3557 0.265E-02 0.462E-02 RMM: 9 -0.329218382912E+03 0.40543E-05 -0.20096E-05 2559 0.133E-02 4790 T= 6955. E= 0.68516639E+03 F= 0.62763365E+03 E0= 0.65628225E+03 EK= 0.57533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330168844795E+03 -0.95046E+00 -0.24265E-01 8700 0.252E+01 0.354E-01 RMM: 2 -0.330191191403E+03 -0.22347E-01 -0.15532E-01 5383 0.879E-01 0.120E+00 RMM: 3 -0.330180596173E+03 0.10595E-01 -0.13183E-02 5485 0.247E-01 0.257E-01 RMM: 4 -0.330180907857E+03 -0.31168E-03 -0.19854E-03 4949 0.107E-01 0.378E-01 RMM: 5 -0.330180122509E+03 0.78535E-03 -0.10249E-03 4594 0.878E-02 0.200E-01 RMM: 6 -0.330180006974E+03 0.11554E-03 -0.38308E-04 4143 0.507E-02 0.157E-01 RMM: 7 -0.330179982268E+03 0.24707E-04 -0.18489E-04 3879 0.402E-02 0.152E-01 RMM: 8 -0.330179832262E+03 0.15001E-03 -0.75872E-05 3552 0.262E-02 0.435E-02 RMM: 9 -0.330179833464E+03 -0.12024E-05 -0.20479E-05 2574 0.134E-02 4791 T= 7164. E= 0.68556869E+03 F= 0.62630610E+03 E0= 0.65493064E+03 EK= 0.59263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331261450676E+03 -0.10816E+01 -0.21188E-01 8436 0.254E+01 0.364E-01 RMM: 2 -0.331280511017E+03 -0.19060E-01 -0.12293E-01 5324 0.802E-01 0.120E+00 RMM: 3 -0.331270197049E+03 0.10314E-01 -0.11294E-02 5461 0.231E-01 0.280E-01 RMM: 4 -0.331270351591E+03 -0.15454E-03 -0.19906E-03 4912 0.109E-01 0.361E-01 RMM: 5 -0.331269766014E+03 0.58558E-03 -0.11773E-03 4608 0.971E-02 0.238E-01 RMM: 6 -0.331269466979E+03 0.29904E-03 -0.33186E-04 3933 0.473E-02 0.121E-01 RMM: 7 -0.331269455195E+03 0.11784E-04 -0.19857E-04 3889 0.437E-02 4792 T= 7114. E= 0.68370626E+03 F= 0.62485059E+03 E0= 0.65345981E+03 EK= 0.58856E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332380799891E+03 -0.11113E+01 -0.19226E-01 8016 0.252E+01 0.401E-01 RMM: 2 -0.332394099212E+03 -0.13299E-01 -0.95183E-02 5257 0.722E-01 0.104E+00 RMM: 3 -0.332386581806E+03 0.75174E-02 -0.91374E-03 5426 0.211E-01 0.309E-01 RMM: 4 -0.332387313835E+03 -0.73203E-03 -0.25686E-03 5294 0.129E-01 0.483E-01 RMM: 5 -0.332386095492E+03 0.12183E-02 -0.14147E-03 4612 0.104E-01 0.259E-01 RMM: 6 -0.332385746069E+03 0.34942E-03 -0.43037E-04 4360 0.544E-02 0.138E-01 RMM: 7 -0.332385736839E+03 0.92305E-05 -0.26991E-04 3905 0.491E-02 0.150E-01 RMM: 8 -0.332385595595E+03 0.14124E-03 -0.92816E-05 3649 0.297E-02 0.514E-02 RMM: 9 -0.332385602517E+03 -0.69223E-05 -0.25836E-05 2687 0.147E-02 4793 T= 6825. E= 0.67982658E+03 F= 0.62336191E+03 E0= 0.65196499E+03 EK= 0.56465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333442129467E+03 -0.10565E+01 -0.18252E-01 7860 0.246E+01 0.346E-01 RMM: 2 -0.333456102060E+03 -0.13973E-01 -0.90713E-02 4918 0.724E-01 0.106E+00 RMM: 3 -0.333448264897E+03 0.78372E-02 -0.10712E-02 5400 0.232E-01 0.266E-01 RMM: 4 -0.333448821383E+03 -0.55649E-03 -0.19013E-03 5112 0.107E-01 0.406E-01 RMM: 5 -0.333447973674E+03 0.84771E-03 -0.94526E-04 4606 0.856E-02 0.224E-01 RMM: 6 -0.333447667471E+03 0.30620E-03 -0.27571E-04 3910 0.437E-02 0.856E-02 RMM: 7 -0.333447719177E+03 -0.51707E-04 -0.13614E-04 3863 0.338E-02 0.128E-01 RMM: 8 -0.333447606728E+03 0.11245E-03 -0.63390E-05 3448 0.248E-02 0.308E-02 RMM: 9 -0.333447606244E+03 0.48382E-06 -0.10764E-05 2499 0.999E-03 4794 T= 6420. E= 0.67502615E+03 F= 0.62191522E+03 E0= 0.65052161E+03 EK= 0.53111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334410277741E+03 -0.96267E+00 -0.16611E-01 7776 0.239E+01 0.423E-01 RMM: 2 -0.334419410392E+03 -0.91327E-02 -0.73544E-02 5185 0.655E-01 0.927E-01 RMM: 3 -0.334413873520E+03 0.55369E-02 -0.83165E-03 5382 0.207E-01 0.339E-01 RMM: 4 -0.334415046493E+03 -0.11730E-02 -0.25387E-03 5297 0.127E-01 0.556E-01 RMM: 5 -0.334413140028E+03 0.19065E-02 -0.13235E-03 4610 0.100E-01 0.209E-01 RMM: 6 -0.334412929709E+03 0.21032E-03 -0.36198E-04 4076 0.501E-02 0.128E-01 RMM: 7 -0.334412955056E+03 -0.25347E-04 -0.16068E-04 3884 0.382E-02 0.152E-01 RMM: 8 -0.334412801584E+03 0.15347E-03 -0.68758E-05 3500 0.250E-02 0.432E-02 RMM: 9 -0.334412804360E+03 -0.27764E-05 -0.23716E-05 2683 0.142E-02 4795 T= 6047. E= 0.67057753E+03 F= 0.62055089E+03 E0= 0.64916882E+03 EK= 0.50027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335271655535E+03 -0.85885E+00 -0.15914E-01 7968 0.233E+01 0.407E-01 RMM: 2 -0.335282943642E+03 -0.11288E-01 -0.79095E-02 5058 0.666E-01 0.101E+00 RMM: 3 -0.335275971287E+03 0.69724E-02 -0.94425E-03 5403 0.218E-01 0.304E-01 RMM: 4 -0.335277034088E+03 -0.10628E-02 -0.26300E-03 5294 0.128E-01 0.521E-01 RMM: 5 -0.335275328277E+03 0.17058E-02 -0.12611E-03 4610 0.986E-02 0.180E-01 RMM: 6 -0.335275197493E+03 0.13078E-03 -0.25026E-04 3891 0.411E-02 0.124E-01 RMM: 7 -0.335275197135E+03 0.35747E-06 -0.14736E-04 3876 0.360E-02 4796 T= 5816. E= 0.66739367E+03 F= 0.61927674E+03 E0= 0.64791243E+03 EK= 0.48117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336042655598E+03 -0.76746E+00 -0.15841E-01 8352 0.231E+01 0.446E-01 RMM: 2 -0.336053212018E+03 -0.10556E-01 -0.73876E-02 5333 0.635E-01 0.105E+00 RMM: 3 -0.336045835068E+03 0.73770E-02 -0.75643E-03 5355 0.199E-01 0.336E-01 RMM: 4 -0.336047269609E+03 -0.14345E-02 -0.30235E-03 5271 0.141E-01 0.599E-01 RMM: 5 -0.336045118056E+03 0.21516E-02 -0.14788E-03 4621 0.106E-01 0.229E-01 RMM: 6 -0.336044876028E+03 0.24203E-03 -0.39882E-04 4256 0.517E-02 0.145E-01 RMM: 7 -0.336044860596E+03 0.15431E-04 -0.21814E-04 3880 0.441E-02 0.152E-01 RMM: 8 -0.336044711381E+03 0.14922E-03 -0.85887E-05 3601 0.282E-02 0.474E-02 RMM: 9 -0.336044722471E+03 -0.11090E-04 -0.29018E-05 2816 0.154E-02 4797 T= 5780. E= 0.66590561E+03 F= 0.61808825E+03 E0= 0.64674594E+03 EK= 0.47817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336720845076E+03 -0.67613E+00 -0.16666E-01 8556 0.231E+01 0.343E-01 RMM: 2 -0.336730600283E+03 -0.97552E-02 -0.78443E-02 5229 0.636E-01 0.843E-01 RMM: 3 -0.336725660668E+03 0.49396E-02 -0.75349E-03 5437 0.188E-01 0.267E-01 RMM: 4 -0.336726397104E+03 -0.73644E-03 -0.19107E-03 4906 0.110E-01 0.449E-01 RMM: 5 -0.336725206885E+03 0.11902E-02 -0.96067E-04 4610 0.865E-02 0.187E-01 RMM: 6 -0.336725030231E+03 0.17665E-03 -0.27096E-04 3892 0.430E-02 0.104E-01 RMM: 7 -0.336725072302E+03 -0.42071E-04 -0.12501E-04 3866 0.333E-02 0.138E-01 RMM: 8 -0.336724946571E+03 0.12573E-03 -0.53188E-05 3339 0.222E-02 0.306E-02 RMM: 9 -0.336724946968E+03 -0.39747E-06 -0.10774E-05 2499 0.955E-03 4798 T= 5941. E= 0.66613886E+03 F= 0.61698903E+03 E0= 0.64567126E+03 EK= 0.49150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337294756977E+03 -0.56981E+00 -0.17538E-01 8748 0.235E+01 0.389E-01 RMM: 2 -0.337305891711E+03 -0.11135E-01 -0.83469E-02 5313 0.666E-01 0.973E-01 RMM: 3 -0.337299480856E+03 0.64109E-02 -0.84164E-03 5456 0.200E-01 0.273E-01 RMM: 4 -0.337300448117E+03 -0.96726E-03 -0.23163E-03 5202 0.123E-01 0.507E-01 RMM: 5 -0.337298869933E+03 0.15782E-02 -0.12576E-03 4611 0.982E-02 0.182E-01 RMM: 6 -0.337298821249E+03 0.48684E-04 -0.35053E-04 4000 0.487E-02 0.170E-01 RMM: 7 -0.337298722206E+03 0.99043E-04 -0.18754E-04 3877 0.430E-02 0.135E-01 RMM: 8 -0.337298604806E+03 0.11740E-03 -0.60334E-05 3400 0.232E-02 0.388E-02 RMM: 9 -0.337298615630E+03 -0.10824E-04 -0.25379E-05 2687 0.146E-02 4799 T= 6256. E= 0.66775290E+03 F= 0.61600288E+03 E0= 0.64471058E+03 EK= 0.51750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337722195707E+03 -0.42359E+00 -0.18594E-01 8772 0.240E+01 0.348E-01 RMM: 2 -0.337734375266E+03 -0.12180E-01 -0.92385E-02 5336 0.702E-01 0.944E-01 RMM: 3 -0.337728330481E+03 0.60448E-02 -0.90469E-03 5579 0.200E-01 0.266E-01 RMM: 4 -0.337728607215E+03 -0.27673E-03 -0.17623E-03 4743 0.106E-01 0.384E-01 RMM: 5 -0.337727763843E+03 0.84337E-03 -0.12061E-03 4611 0.988E-02 0.191E-01 RMM: 6 -0.337727674373E+03 0.89470E-04 -0.35879E-04 3947 0.495E-02 0.157E-01 RMM: 7 -0.337727627195E+03 0.47178E-04 -0.17921E-04 3880 0.411E-02 0.145E-01 RMM: 8 -0.337727489832E+03 0.13736E-03 -0.70850E-05 3504 0.251E-02 0.384E-02 RMM: 9 -0.337727498045E+03 -0.82131E-05 -0.18384E-05 2556 0.127E-02 4800 T= 6629. E= 0.67000854E+03 F= 0.61517176E+03 E0= 0.64390028E+03 EK= 0.54837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337954080113E+03 -0.22659E+00 -0.19876E-01 9096 0.245E+01 0.351E-01 RMM: 2 -0.337966384458E+03 -0.12304E-01 -0.94343E-02 5428 0.697E-01 0.944E-01 RMM: 3 -0.337960132765E+03 0.62517E-02 -0.82842E-03 5531 0.195E-01 0.250E-01 RMM: 4 -0.337960657276E+03 -0.52451E-03 -0.18591E-03 4759 0.110E-01 0.416E-01 RMM: 5 -0.337959658801E+03 0.99848E-03 -0.10844E-03 4610 0.917E-02 0.196E-01 RMM: 6 -0.337959568267E+03 0.90534E-04 -0.38286E-04 4098 0.510E-02 0.165E-01 RMM: 7 -0.337959510795E+03 0.57472E-04 -0.19671E-04 3876 0.430E-02 0.147E-01 RMM: 8 -0.337959368091E+03 0.14270E-03 -0.76234E-05 3539 0.260E-02 0.386E-02 RMM: 9 -0.337959373215E+03 -0.51235E-05 -0.22138E-05 2636 0.139E-02 4801 T= 6926. E= 0.67184440E+03 F= 0.61454779E+03 E0= 0.64329122E+03 EK= 0.57297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337942834525E+03 0.16534E-01 -0.20917E-01 8988 0.247E+01 0.356E-01 RMM: 2 -0.337957663656E+03 -0.14829E-01 -0.10861E-01 5270 0.751E-01 0.104E+00 RMM: 3 -0.337950211467E+03 0.74522E-02 -0.10102E-02 5681 0.209E-01 0.259E-01 RMM: 4 -0.337950528555E+03 -0.31709E-03 -0.19435E-03 4890 0.111E-01 0.395E-01 RMM: 5 -0.337949612415E+03 0.91614E-03 -0.12172E-03 4609 0.990E-02 0.182E-01 RMM: 6 -0.337949547611E+03 0.64804E-04 -0.33060E-04 3913 0.475E-02 0.159E-01 RMM: 7 -0.337949486037E+03 0.61574E-04 -0.17987E-04 3870 0.414E-02 0.140E-01 RMM: 8 -0.337949359052E+03 0.12698E-03 -0.69982E-05 3490 0.249E-02 0.380E-02 RMM: 9 -0.337949365202E+03 -0.61498E-05 -0.18295E-05 2556 0.127E-02 4802 T= 7023. E= 0.67227008E+03 F= 0.61417230E+03 E0= 0.64292082E+03 EK= 0.58098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337678351157E+03 0.27101E+00 -0.20661E-01 8892 0.246E+01 0.368E-01 RMM: 2 -0.337691671725E+03 -0.13321E-01 -0.10567E-01 5357 0.722E-01 0.948E-01 RMM: 3 -0.337684979375E+03 0.66923E-02 -0.89292E-03 5557 0.204E-01 0.268E-01 RMM: 4 -0.337685733225E+03 -0.75385E-03 -0.21235E-03 4970 0.116E-01 0.462E-01 RMM: 5 -0.337684486103E+03 0.12471E-02 -0.10910E-03 4608 0.910E-02 0.199E-01 RMM: 6 -0.337684313184E+03 0.17292E-03 -0.31731E-04 3928 0.466E-02 0.128E-01 RMM: 7 -0.337684324713E+03 -0.11529E-04 -0.16552E-04 3875 0.391E-02 4803 T= 6877. E= 0.67094200E+03 F= 0.61405308E+03 E0= 0.64279676E+03 EK= 0.56889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337184722244E+03 0.49959E+00 -0.19895E-01 8988 0.242E+01 0.432E-01 RMM: 2 -0.337197004960E+03 -0.12283E-01 -0.10467E-01 5312 0.719E-01 0.935E-01 RMM: 3 -0.337190657781E+03 0.63472E-02 -0.89027E-03 5456 0.209E-01 0.330E-01 RMM: 4 -0.337192057097E+03 -0.13993E-02 -0.29608E-03 5278 0.137E-01 0.590E-01 RMM: 5 -0.337189758863E+03 0.22982E-02 -0.15057E-03 4620 0.107E-01 0.142E-01 RMM: 6 -0.337189806835E+03 -0.47972E-04 -0.29314E-04 3892 0.441E-02 0.174E-01 RMM: 7 -0.337189676569E+03 0.13027E-03 -0.15600E-04 3871 0.387E-02 0.120E-01 RMM: 8 -0.337189583855E+03 0.92714E-04 -0.57292E-05 3374 0.226E-02 0.401E-02 RMM: 9 -0.337189598466E+03 -0.14611E-04 -0.27266E-05 2758 0.152E-02 4804 T= 6556. E= 0.66839791E+03 F= 0.61415973E+03 E0= 0.64288885E+03 EK= 0.54238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336514319398E+03 0.67526E+00 -0.18408E-01 8832 0.236E+01 0.348E-01 RMM: 2 -0.336524899734E+03 -0.10580E-01 -0.94353E-02 5469 0.656E-01 0.790E-01 RMM: 3 -0.336519950267E+03 0.49495E-02 -0.69652E-03 5435 0.186E-01 0.267E-01 RMM: 4 -0.336521039380E+03 -0.10891E-02 -0.18121E-03 4846 0.106E-01 0.498E-01 RMM: 5 -0.336519448017E+03 0.15914E-02 -0.79216E-04 4598 0.757E-02 0.133E-01 RMM: 6 -0.336519365983E+03 0.82035E-04 -0.17590E-04 3875 0.339E-02 0.861E-02 RMM: 7 -0.336519383621E+03 -0.17639E-04 -0.71546E-05 3548 0.251E-02 4805 T= 6195. E= 0.66568680E+03 F= 0.61443533E+03 E0= 0.64314184E+03 EK= 0.51251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335731146240E+03 0.78822E+00 -0.17276E-01 8868 0.231E+01 0.458E-01 RMM: 2 -0.335738741736E+03 -0.75955E-02 -0.89744E-02 5450 0.661E-01 0.702E-01 RMM: 3 -0.335735629885E+03 0.31119E-02 -0.75756E-03 5431 0.195E-01 0.420E-01 RMM: 4 -0.335736789525E+03 -0.11596E-02 -0.24678E-03 5240 0.124E-01 0.615E-01 RMM: 5 -0.335734202066E+03 0.25875E-02 -0.14129E-03 4612 0.102E-01 0.114E-01 RMM: 6 -0.335734279208E+03 -0.77142E-04 -0.28977E-04 3930 0.439E-02 0.166E-01 RMM: 7 -0.335734151455E+03 0.12775E-03 -0.11694E-04 3854 0.324E-02 0.110E-01 RMM: 8 -0.335734072870E+03 0.78586E-04 -0.46953E-05 3246 0.200E-02 0.402E-02 RMM: 9 -0.335734081934E+03 -0.90640E-05 -0.26363E-05 2751 0.150E-02 4806 T= 5920. E= 0.66379689E+03 F= 0.61482034E+03 E0= 0.64349829E+03 EK= 0.48977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334878915688E+03 0.85516E+00 -0.16116E-01 8832 0.228E+01 0.377E-01 RMM: 2 -0.334888562315E+03 -0.96466E-02 -0.80676E-02 5449 0.620E-01 0.874E-01 RMM: 3 -0.334883019056E+03 0.55433E-02 -0.62369E-03 5482 0.174E-01 0.268E-01 RMM: 4 -0.334884131297E+03 -0.11122E-02 -0.20270E-03 4960 0.113E-01 0.502E-01 RMM: 5 -0.334882529510E+03 0.16018E-02 -0.87633E-04 4605 0.801E-02 0.152E-01 RMM: 6 -0.334882399606E+03 0.12990E-03 -0.19459E-04 3897 0.362E-02 0.814E-02 RMM: 7 -0.334882439922E+03 -0.40317E-04 -0.83679E-05 3627 0.260E-02 0.119E-01 RMM: 8 -0.334882342279E+03 0.97643E-04 -0.43047E-05 3179 0.205E-02 0.286E-02 RMM: 9 -0.334882343570E+03 -0.12911E-05 -0.12032E-05 2498 0.981E-03 4807 T= 5811. E= 0.66334695E+03 F= 0.61527041E+03 E0= 0.64391558E+03 EK= 0.48077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333988310999E+03 0.89403E+00 -0.15839E-01 8712 0.229E+01 0.395E-01 RMM: 2 -0.333996296275E+03 -0.79853E-02 -0.76051E-02 5396 0.609E-01 0.765E-01 RMM: 3 -0.333992135143E+03 0.41611E-02 -0.62760E-03 5403 0.176E-01 0.312E-01 RMM: 4 -0.333993048077E+03 -0.91293E-03 -0.20815E-03 5036 0.116E-01 0.505E-01 RMM: 5 -0.333991387097E+03 0.16610E-02 -0.96561E-04 4608 0.840E-02 0.136E-01 RMM: 6 -0.333991340449E+03 0.46648E-04 -0.21698E-04 3903 0.379E-02 0.118E-01 RMM: 7 -0.333991315627E+03 0.24823E-04 -0.99109E-05 3750 0.294E-02 0.114E-01 RMM: 8 -0.333991228115E+03 0.87511E-04 -0.44936E-05 3214 0.204E-02 0.335E-02 RMM: 9 -0.333991233028E+03 -0.49122E-05 -0.18975E-05 2547 0.127E-02 4808 T= 5898. E= 0.66455764E+03 F= 0.61576490E+03 E0= 0.64437291E+03 EK= 0.48793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333059527374E+03 0.93170E+00 -0.16180E-01 8568 0.233E+01 0.375E-01 RMM: 2 -0.333072362399E+03 -0.12835E-01 -0.77083E-02 5256 0.641E-01 0.112E+00 RMM: 3 -0.333063738633E+03 0.86238E-02 -0.78082E-03 5441 0.197E-01 0.256E-01 RMM: 4 -0.333064593371E+03 -0.85474E-03 -0.22677E-03 5139 0.119E-01 0.460E-01 RMM: 5 -0.333063375875E+03 0.12175E-02 -0.95247E-04 4604 0.842E-02 0.206E-01 RMM: 6 -0.333063116224E+03 0.25965E-03 -0.24575E-04 3901 0.412E-02 0.841E-02 RMM: 7 -0.333063157936E+03 -0.41713E-04 -0.13044E-04 3872 0.328E-02 0.123E-01 RMM: 8 -0.333063054931E+03 0.10301E-03 -0.56737E-05 3358 0.231E-02 0.355E-02 RMM: 9 -0.333063054095E+03 0.83600E-06 -0.14476E-05 2522 0.110E-02 4809 T= 6161. E= 0.66727937E+03 F= 0.61630780E+03 E0= 0.64487533E+03 EK= 0.50972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332077265461E+03 0.98579E+00 -0.17149E-01 8388 0.240E+01 0.348E-01 RMM: 2 -0.332088138783E+03 -0.10873E-01 -0.74934E-02 5248 0.641E-01 0.958E-01 RMM: 3 -0.332081757622E+03 0.63812E-02 -0.75269E-03 5422 0.191E-01 0.251E-01 RMM: 4 -0.332082408651E+03 -0.65103E-03 -0.19234E-03 4891 0.110E-01 0.419E-01 RMM: 5 -0.332081354748E+03 0.10539E-02 -0.87293E-04 4608 0.807E-02 0.182E-01 RMM: 6 -0.332081181523E+03 0.17323E-03 -0.24855E-04 3902 0.412E-02 0.102E-01 RMM: 7 -0.332081219876E+03 -0.38354E-04 -0.13524E-04 3859 0.339E-02 0.134E-01 RMM: 8 -0.332081099756E+03 0.12012E-03 -0.60447E-05 3411 0.238E-02 0.373E-02 RMM: 9 -0.332081097737E+03 0.20189E-05 -0.15498E-05 2529 0.117E-02 4810 T= 6531. E= 0.67095127E+03 F= 0.61691986E+03 E0= 0.64544360E+03 EK= 0.54031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331015454023E+03 0.10656E+01 -0.17976E-01 8244 0.247E+01 0.341E-01 RMM: 2 -0.331029938779E+03 -0.14485E-01 -0.84646E-02 5112 0.707E-01 0.115E+00 RMM: 3 -0.331021036150E+03 0.89026E-02 -0.91957E-03 5469 0.210E-01 0.255E-01 RMM: 4 -0.331021195016E+03 -0.15887E-03 -0.18258E-03 4969 0.106E-01 0.334E-01 RMM: 5 -0.331020657069E+03 0.53795E-03 -0.93476E-04 4606 0.852E-02 0.214E-01 RMM: 6 -0.331020400885E+03 0.25618E-03 -0.26761E-04 3891 0.432E-02 0.973E-02 RMM: 7 -0.331020420309E+03 -0.19424E-04 -0.15065E-04 3861 0.371E-02 4811 T= 6885. E= 0.67458600E+03 F= 0.61762658E+03 E0= 0.64610462E+03 EK= 0.56959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329859628481E+03 0.11608E+01 -0.18047E-01 8208 0.251E+01 0.353E-01 RMM: 2 -0.329869686160E+03 -0.10058E-01 -0.76638E-02 5222 0.677E-01 0.893E-01 RMM: 3 -0.329864371475E+03 0.53147E-02 -0.75386E-03 5442 0.188E-01 0.256E-01 RMM: 4 -0.329864949356E+03 -0.57788E-03 -0.19025E-03 4913 0.113E-01 0.423E-01 RMM: 5 -0.329863844318E+03 0.11050E-02 -0.11257E-03 4612 0.935E-02 0.171E-01 RMM: 6 -0.329863797855E+03 0.46462E-04 -0.30301E-04 3891 0.450E-02 0.159E-01 RMM: 7 -0.329863699990E+03 0.97865E-04 -0.18469E-04 3869 0.424E-02 0.118E-01 RMM: 8 -0.329863611157E+03 0.88833E-04 -0.59209E-05 3391 0.233E-02 0.409E-02 RMM: 9 -0.329863621044E+03 -0.98872E-05 -0.25103E-05 2684 0.148E-02 4812 T= 7081. E= 0.67702437E+03 F= 0.61844252E+03 E0= 0.64687569E+03 EK= 0.58582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328613628031E+03 0.12500E+01 -0.18264E-01 7908 0.252E+01 0.316E-01 RMM: 2 -0.328626646650E+03 -0.13019E-01 -0.85368E-02 5103 0.730E-01 0.104E+00 RMM: 3 -0.328619584743E+03 0.70619E-02 -0.94029E-03 5451 0.211E-01 0.279E-01 RMM: 4 -0.328619296588E+03 0.28815E-03 -0.14323E-03 4815 0.917E-02 0.234E-01 RMM: 5 -0.328619106435E+03 0.19015E-03 -0.67360E-04 4603 0.727E-02 0.199E-01 RMM: 6 -0.328618873547E+03 0.23289E-03 -0.22405E-04 3884 0.399E-02 0.762E-02 RMM: 7 -0.328618929880E+03 -0.56334E-04 -0.89138E-05 3733 0.279E-02 0.121E-01 RMM: 8 -0.328618827794E+03 0.10209E-03 -0.38038E-05 3133 0.194E-02 0.274E-02 RMM: 9 -0.328618826408E+03 0.13862E-05 -0.99106E-06 2484 0.914E-03 4813 T= 7031. E= 0.67752020E+03 F= 0.61935454E+03 E0= 0.64774509E+03 EK= 0.58166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327319370031E+03 0.12995E+01 -0.17764E-01 8208 0.249E+01 0.356E-01 RMM: 2 -0.327328870740E+03 -0.95007E-02 -0.75706E-02 5204 0.666E-01 0.859E-01 RMM: 3 -0.327323821706E+03 0.50490E-02 -0.76393E-03 5490 0.186E-01 0.235E-01 RMM: 4 -0.327324597651E+03 -0.77595E-03 -0.18736E-03 4948 0.111E-01 0.444E-01 RMM: 5 -0.327323316809E+03 0.12808E-02 -0.92200E-04 4606 0.830E-02 0.143E-01 RMM: 6 -0.327323280091E+03 0.36718E-04 -0.22323E-04 3888 0.386E-02 0.130E-01 RMM: 7 -0.327323233614E+03 0.46477E-04 -0.11182E-04 3790 0.319E-02 0.112E-01 RMM: 8 -0.327323150670E+03 0.82944E-04 -0.44979E-05 3216 0.204E-02 0.325E-02 RMM: 9 -0.327323156144E+03 -0.54738E-05 -0.19537E-05 2545 0.129E-02 4814 T= 6759. E= 0.67623293E+03 F= 0.62032017E+03 E0= 0.64867378E+03 EK= 0.55913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326026321649E+03 0.12968E+01 -0.17456E-01 7968 0.243E+01 0.346E-01 RMM: 2 -0.326037711642E+03 -0.11390E-01 -0.92481E-02 4997 0.726E-01 0.870E-01 RMM: 3 -0.326032512472E+03 0.51992E-02 -0.99819E-03 5536 0.210E-01 0.260E-01 RMM: 4 -0.326032933938E+03 -0.42147E-03 -0.18986E-03 5080 0.110E-01 0.387E-01 RMM: 5 -0.326031932160E+03 0.10018E-02 -0.80555E-04 4606 0.766E-02 0.141E-01 RMM: 6 -0.326031874248E+03 0.57912E-04 -0.18861E-04 3884 0.358E-02 0.114E-01 RMM: 7 -0.326031865450E+03 0.87974E-05 -0.93263E-05 3748 0.284E-02 4815 T= 6385. E= 0.67410364E+03 F= 0.62128042E+03 E0= 0.64960391E+03 EK= 0.52823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324793535125E+03 0.12383E+01 -0.16959E-01 8388 0.237E+01 0.385E-01 RMM: 2 -0.324803223531E+03 -0.96884E-02 -0.86308E-02 5132 0.690E-01 0.814E-01 RMM: 3 -0.324798703600E+03 0.45199E-02 -0.89623E-03 5540 0.203E-01 0.293E-01 RMM: 4 -0.324799573045E+03 -0.86945E-03 -0.20925E-03 5116 0.115E-01 0.490E-01 RMM: 5 -0.324798010046E+03 0.15630E-02 -0.97416E-04 4611 0.844E-02 0.157E-01 RMM: 6 -0.324797928960E+03 0.81086E-04 -0.21890E-04 3890 0.379E-02 0.124E-01 RMM: 7 -0.324797887899E+03 0.41061E-04 -0.11311E-04 3854 0.307E-02 0.110E-01 RMM: 8 -0.324797807800E+03 0.80099E-04 -0.52355E-05 3312 0.217E-02 0.333E-02 RMM: 9 -0.324797816610E+03 -0.88105E-05 -0.22687E-05 2657 0.138E-02 4816 T= 6053. E= 0.67225891E+03 F= 0.62218157E+03 E0= 0.65048360E+03 EK= 0.50077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323650166830E+03 0.11476E+01 -0.17771E-01 8304 0.233E+01 0.316E-01 RMM: 2 -0.323662328037E+03 -0.12161E-01 -0.11302E-01 4939 0.769E-01 0.711E-01 RMM: 3 -0.323658434385E+03 0.38937E-02 -0.11676E-02 5659 0.216E-01 0.241E-01 RMM: 4 -0.323658969355E+03 -0.53497E-03 -0.16065E-03 5061 0.102E-01 0.410E-01 RMM: 5 -0.323657850098E+03 0.11193E-02 -0.67218E-04 4594 0.691E-02 0.110E-01 RMM: 6 -0.323657835653E+03 0.14444E-04 -0.17740E-04 3887 0.347E-02 4817 T= 5867. E= 0.67152849E+03 F= 0.62298905E+03 E0= 0.65127781E+03 EK= 0.48539E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322619109774E+03 0.10387E+01 -0.17685E-01 8724 0.232E+01 0.458E-01 RMM: 2 -0.322653236389E+03 -0.34127E-01 -0.11525E-01 5071 0.787E-01 0.197E+00 RMM: 3 -0.322626168973E+03 0.27067E-01 -0.16666E-02 5385 0.307E-01 0.343E-01 RMM: 4 -0.322626341034E+03 -0.17206E-03 -0.28761E-03 5306 0.123E-01 0.398E-01 RMM: 5 -0.322625566578E+03 0.77446E-03 -0.92698E-04 4608 0.776E-02 0.259E-01 RMM: 6 -0.322625168334E+03 0.39824E-03 -0.40450E-04 4055 0.534E-02 0.116E-01 RMM: 7 -0.322625266715E+03 -0.98381E-04 -0.19257E-04 3894 0.375E-02 0.172E-01 RMM: 8 -0.322625067079E+03 0.19964E-03 -0.10606E-04 3815 0.309E-02 0.514E-02 RMM: 9 -0.322625058357E+03 0.87220E-05 -0.24341E-05 2783 0.145E-02 4818 T= 5877. E= 0.67231517E+03 F= 0.62369427E+03 E0= 0.65197581E+03 EK= 0.48621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321683107642E+03 0.94196E+00 -0.18752E-01 9024 0.234E+01 0.415E-01 RMM: 2 -0.321721410727E+03 -0.38303E-01 -0.12230E-01 5079 0.794E-01 0.207E+00 RMM: 3 -0.321691283775E+03 0.30127E-01 -0.16717E-02 5395 0.307E-01 0.327E-01 RMM: 4 -0.321690908493E+03 0.37528E-03 -0.25794E-03 5177 0.114E-01 0.275E-01 RMM: 5 -0.321690762364E+03 0.14613E-03 -0.69026E-04 4600 0.698E-02 0.252E-01 RMM: 6 -0.321690330359E+03 0.43200E-03 -0.25970E-04 3898 0.426E-02 0.691E-02 RMM: 7 -0.321690420003E+03 -0.89644E-04 -0.13400E-04 3877 0.306E-02 0.138E-01 RMM: 8 -0.321690289862E+03 0.13014E-03 -0.62507E-05 3424 0.242E-02 0.311E-02 RMM: 9 -0.321690286758E+03 0.31046E-05 -0.10858E-05 2507 0.951E-03 4819 T= 6081. E= 0.67462167E+03 F= 0.62431141E+03 E0= 0.65259271E+03 EK= 0.50310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320819413532E+03 0.87088E+00 -0.21288E-01 8916 0.239E+01 0.366E-01 RMM: 2 -0.320846897517E+03 -0.27484E-01 -0.13953E-01 5240 0.827E-01 0.155E+00 RMM: 3 -0.320829515061E+03 0.17382E-01 -0.14429E-02 5443 0.267E-01 0.277E-01 RMM: 4 -0.320829455819E+03 0.59242E-04 -0.20262E-03 4935 0.104E-01 0.297E-01 RMM: 5 -0.320828947273E+03 0.50855E-03 -0.68327E-04 4608 0.694E-02 0.175E-01 RMM: 6 -0.320828822973E+03 0.12430E-03 -0.24697E-04 3884 0.406E-02 0.119E-01 RMM: 7 -0.320828844649E+03 -0.21676E-04 -0.13396E-04 3876 0.330E-02 0.139E-01 RMM: 8 -0.320828715734E+03 0.12891E-03 -0.64599E-05 3440 0.239E-02 0.362E-02 RMM: 9 -0.320828716088E+03 -0.35346E-06 -0.16146E-05 2522 0.116E-02 4820 T= 6427. E= 0.67803792E+03 F= 0.62486895E+03 E0= 0.65315433E+03 EK= 0.53169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319999632461E+03 0.82908E+00 -0.24124E-01 8988 0.246E+01 0.315E-01 RMM: 2 -0.320020527584E+03 -0.20895E-01 -0.15485E-01 5332 0.853E-01 0.109E+00 RMM: 3 -0.320011460565E+03 0.90670E-02 -0.13064E-02 5749 0.232E-01 0.233E-01 RMM: 4 -0.320011374817E+03 0.85748E-04 -0.14139E-03 4738 0.894E-02 0.278E-01 RMM: 5 -0.320010951826E+03 0.42299E-03 -0.59172E-04 4603 0.660E-02 0.167E-01 RMM: 6 -0.320010838395E+03 0.11343E-03 -0.27011E-04 3892 0.427E-02 0.115E-01 RMM: 7 -0.320010871771E+03 -0.33376E-04 -0.11068E-04 3865 0.308E-02 0.139E-01 RMM: 8 -0.320010738403E+03 0.13337E-03 -0.53580E-05 3349 0.217E-02 0.313E-02 RMM: 9 -0.320010740845E+03 -0.24423E-05 -0.17433E-05 2522 0.120E-02 4821 T= 6806. E= 0.68169854E+03 F= 0.62539752E+03 E0= 0.65369099E+03 EK= 0.56301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319205420680E+03 0.80532E+00 -0.26582E-01 8892 0.252E+01 0.300E-01 RMM: 2 -0.319227922932E+03 -0.22502E-01 -0.17963E-01 5279 0.918E-01 0.101E+00 RMM: 3 -0.319219881882E+03 0.80411E-02 -0.15489E-02 5833 0.241E-01 0.230E-01 RMM: 4 -0.319219708506E+03 0.17338E-03 -0.14443E-03 4828 0.925E-02 0.269E-01 RMM: 5 -0.319219238098E+03 0.47041E-03 -0.58172E-04 4606 0.648E-02 0.132E-01 RMM: 6 -0.319219249478E+03 -0.11380E-04 -0.23439E-04 3882 0.392E-02 0.142E-01 RMM: 7 -0.319219199922E+03 0.49557E-04 -0.11609E-04 3866 0.313E-02 0.120E-01 RMM: 8 -0.319219102829E+03 0.97093E-04 -0.49731E-05 3288 0.209E-02 0.325E-02 RMM: 9 -0.319219104315E+03 -0.14855E-05 -0.14951E-05 2513 0.111E-02 4822 T= 7073. E= 0.68442679E+03 F= 0.62591252E+03 E0= 0.65421522E+03 EK= 0.58514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318453681654E+03 0.76542E+00 -0.28519E-01 8856 0.254E+01 0.327E-01 RMM: 2 -0.318478382367E+03 -0.24701E-01 -0.18530E-01 5293 0.946E-01 0.115E+00 RMM: 3 -0.318468277597E+03 0.10105E-01 -0.15561E-02 5817 0.253E-01 0.216E-01 RMM: 4 -0.318468283766E+03 -0.61692E-05 -0.15113E-03 4841 0.927E-02 0.298E-01 RMM: 5 -0.318467774981E+03 0.50879E-03 -0.56845E-04 4587 0.636E-02 0.162E-01 RMM: 6 -0.318467668426E+03 0.10655E-03 -0.24031E-04 3878 0.397E-02 0.112E-01 RMM: 7 -0.318467703378E+03 -0.34952E-04 -0.12140E-04 3877 0.312E-02 0.136E-01 RMM: 8 -0.318467575181E+03 0.12820E-03 -0.61319E-05 3427 0.232E-02 0.319E-02 RMM: 9 -0.318467576097E+03 -0.91565E-06 -0.15529E-05 2519 0.114E-02 4823 T= 7114. E= 0.68524606E+03 F= 0.62639621E+03 E0= 0.65470900E+03 EK= 0.58850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317795640185E+03 0.67193E+00 -0.27848E-01 8904 0.252E+01 0.315E-01 RMM: 2 -0.317817685063E+03 -0.22045E-01 -0.18141E-01 5224 0.931E-01 0.972E-01 RMM: 3 -0.317810086018E+03 0.75990E-02 -0.15430E-02 5843 0.245E-01 0.246E-01 RMM: 4 -0.317810048399E+03 0.37618E-04 -0.16514E-03 4964 0.997E-02 0.308E-01 RMM: 5 -0.317809461164E+03 0.58724E-03 -0.56231E-04 4565 0.614E-02 0.149E-01 RMM: 6 -0.317809369140E+03 0.92023E-04 -0.20363E-04 3894 0.370E-02 0.100E-01 RMM: 7 -0.317809416789E+03 -0.47648E-04 -0.10543E-04 3860 0.284E-02 0.134E-01 RMM: 8 -0.317809292409E+03 0.12438E-03 -0.51735E-05 3316 0.216E-02 0.323E-02 RMM: 9 -0.317809290459E+03 0.19493E-05 -0.12796E-05 2508 0.101E-02 4824 T= 6913. E= 0.68398360E+03 F= 0.62679077E+03 E0= 0.65511172E+03 EK= 0.57193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317309186477E+03 0.50011E+00 -0.26302E-01 8940 0.246E+01 0.345E-01 RMM: 2 -0.317331666272E+03 -0.22480E-01 -0.16720E-01 5220 0.909E-01 0.113E+00 RMM: 3 -0.317321895256E+03 0.97710E-02 -0.14958E-02 5729 0.251E-01 0.214E-01 RMM: 4 -0.317322272595E+03 -0.37734E-03 -0.18093E-03 4991 0.103E-01 0.369E-01 RMM: 5 -0.317321448742E+03 0.82385E-03 -0.56770E-04 4553 0.613E-02 0.163E-01 RMM: 6 -0.317321303384E+03 0.14536E-03 -0.18238E-04 3885 0.348E-02 0.857E-02 RMM: 7 -0.317321365946E+03 -0.62562E-04 -0.12269E-04 3875 0.295E-02 0.133E-01 RMM: 8 -0.317321242475E+03 0.12347E-03 -0.66110E-05 3453 0.243E-02 0.293E-02 RMM: 9 -0.317321241657E+03 0.81856E-06 -0.13162E-05 2510 0.104E-02 4825 T= 6570. E= 0.68137070E+03 F= 0.62701532E+03 E0= 0.65534181E+03 EK= 0.54355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317065055239E+03 0.25619E+00 -0.24043E-01 8832 0.240E+01 0.338E-01 RMM: 2 -0.317085967299E+03 -0.20912E-01 -0.16003E-01 5158 0.903E-01 0.107E+00 RMM: 3 -0.317077413129E+03 0.85542E-02 -0.14342E-02 5697 0.247E-01 0.253E-01 RMM: 4 -0.317077706352E+03 -0.29322E-03 -0.20037E-03 5095 0.110E-01 0.367E-01 RMM: 5 -0.317076837415E+03 0.86894E-03 -0.63008E-04 4575 0.651E-02 0.139E-01 RMM: 6 -0.317076744071E+03 0.93344E-04 -0.15710E-04 3888 0.322E-02 0.854E-02 RMM: 7 -0.317076805380E+03 -0.61309E-04 -0.10116E-04 3840 0.265E-02 0.132E-01 RMM: 8 -0.317076682652E+03 0.12273E-03 -0.57565E-05 3378 0.227E-02 0.298E-02 RMM: 9 -0.317076681418E+03 0.12340E-05 -0.12790E-05 2509 0.103E-02 4826 T= 6229. E= 0.67852830E+03 F= 0.62699470E+03 E0= 0.65532239E+03 EK= 0.51534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317109214250E+03 -0.32532E-01 -0.20747E-01 8844 0.235E+01 0.335E-01 RMM: 2 -0.317126635489E+03 -0.17421E-01 -0.13427E-01 5122 0.833E-01 0.995E-01 RMM: 3 -0.317119246338E+03 0.73892E-02 -0.12646E-02 5653 0.234E-01 0.214E-01 RMM: 4 -0.317119752700E+03 -0.50636E-03 -0.17218E-03 5005 0.101E-01 0.380E-01 RMM: 5 -0.317118849921E+03 0.90278E-03 -0.55882E-04 4533 0.611E-02 0.157E-01 RMM: 6 -0.317118714514E+03 0.13541E-03 -0.16492E-04 3888 0.333E-02 0.812E-02 RMM: 7 -0.317118769961E+03 -0.55447E-04 -0.10997E-04 3811 0.278E-02 0.128E-01 RMM: 8 -0.317118656644E+03 0.11332E-03 -0.60875E-05 3402 0.234E-02 0.270E-02 RMM: 9 -0.317118656934E+03 -0.29044E-06 -0.12892E-05 2505 0.103E-02 4827 T= 6008. E= 0.67638584E+03 F= 0.62668636E+03 E0= 0.65501075E+03 EK= 0.49699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317431741045E+03 -0.31308E+00 -0.18092E-01 8736 0.234E+01 0.296E-01 RMM: 2 -0.317443907508E+03 -0.12166E-01 -0.10221E-01 5220 0.722E-01 0.786E-01 RMM: 3 -0.317439258504E+03 0.46490E-02 -0.89460E-03 5693 0.193E-01 0.224E-01 RMM: 4 -0.317439626066E+03 -0.36756E-03 -0.14097E-03 4834 0.936E-02 0.351E-01 RMM: 5 -0.317438797328E+03 0.82874E-03 -0.53853E-04 4509 0.612E-02 0.110E-01 RMM: 6 -0.317438770216E+03 0.27112E-04 -0.14034E-04 3887 0.307E-02 0.973E-02 RMM: 7 -0.317438782497E+03 -0.12281E-04 -0.73668E-05 3578 0.238E-02 4828 T= 5964. E= 0.67544087E+03 F= 0.62610118E+03 E0= 0.65441685E+03 EK= 0.49340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317963091262E+03 -0.52432E+00 -0.17292E-01 8052 0.236E+01 0.297E-01 RMM: 2 -0.317974849216E+03 -0.11758E-01 -0.97318E-02 4994 0.736E-01 0.796E-01 RMM: 3 -0.317970350234E+03 0.44990E-02 -0.10380E-02 5760 0.206E-01 0.203E-01 RMM: 4 -0.317970628203E+03 -0.27797E-03 -0.12958E-03 4813 0.897E-02 0.334E-01 RMM: 5 -0.317969876469E+03 0.75173E-03 -0.55102E-04 4556 0.632E-02 0.110E-01 RMM: 6 -0.317969920038E+03 -0.43568E-04 -0.17049E-04 3879 0.335E-02 0.140E-01 RMM: 7 -0.317969823811E+03 0.96227E-04 -0.87551E-05 3723 0.283E-02 0.867E-02 RMM: 8 -0.317969774581E+03 0.49230E-04 -0.33802E-05 3046 0.178E-02 0.287E-02 RMM: 9 -0.317969781810E+03 -0.72296E-05 -0.14012E-05 2513 0.107E-02 4829 T= 6099. E= 0.67576567E+03 F= 0.62530974E+03 E0= 0.65361050E+03 EK= 0.50456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318585504438E+03 -0.61573E+00 -0.17442E-01 8148 0.240E+01 0.244E-01 RMM: 2 -0.318596001491E+03 -0.10497E-01 -0.82156E-02 5115 0.693E-01 0.785E-01 RMM: 3 -0.318591776001E+03 0.42255E-02 -0.83913E-03 5676 0.188E-01 0.192E-01 RMM: 4 -0.318591661434E+03 0.11457E-03 -0.83221E-04 4634 0.701E-02 0.206E-01 RMM: 5 -0.318591417172E+03 0.24426E-03 -0.41941E-04 4539 0.584E-02 0.131E-01 RMM: 6 -0.318591361366E+03 0.55807E-04 -0.20389E-04 3894 0.378E-02 0.987E-02 RMM: 7 -0.318591332021E+03 0.29344E-04 -0.63292E-05 3450 0.251E-02 0.821E-02 RMM: 8 -0.318591288187E+03 0.43834E-04 -0.19592E-05 2596 0.141E-02 0.236E-02 RMM: 9 -0.318591288909E+03 -0.72241E-06 -0.86582E-06 2464 0.844E-03 4830 T= 6360. E= 0.67704908E+03 F= 0.62443521E+03 E0= 0.65271357E+03 EK= 0.52614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319144120283E+03 -0.55283E+00 -0.18463E-01 8172 0.246E+01 0.237E-01 RMM: 2 -0.319154204394E+03 -0.10084E-01 -0.95053E-02 5046 0.745E-01 0.601E-01 RMM: 3 -0.319151785499E+03 0.24189E-02 -0.99808E-03 5908 0.185E-01 0.174E-01 RMM: 4 -0.319151690361E+03 0.95139E-04 -0.77780E-04 4672 0.733E-02 0.235E-01 RMM: 5 -0.319151310353E+03 0.38001E-03 -0.47572E-04 4576 0.619E-02 0.104E-01 RMM: 6 -0.319151437627E+03 -0.12727E-03 -0.25763E-04 3900 0.418E-02 0.175E-01 RMM: 7 -0.319151256068E+03 0.18156E-03 -0.11059E-04 3795 0.328E-02 0.760E-02 RMM: 8 -0.319151219551E+03 0.36517E-04 -0.25327E-05 2823 0.151E-02 0.314E-02 RMM: 9 -0.319151223192E+03 -0.36403E-05 -0.16610E-05 2507 0.120E-02 4831 T= 6648. E= 0.67862999E+03 F= 0.62363092E+03 E0= 0.65187955E+03 EK= 0.54999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319493679655E+03 -0.34246E+00 -0.19302E-01 8232 0.251E+01 0.243E-01 RMM: 2 -0.319506437688E+03 -0.12758E-01 -0.10158E-01 5096 0.782E-01 0.824E-01 RMM: 3 -0.319501919467E+03 0.45182E-02 -0.10946E-02 5798 0.204E-01 0.202E-01 RMM: 4 -0.319501624362E+03 0.29511E-03 -0.78346E-04 4644 0.682E-02 0.181E-01 RMM: 5 -0.319501385052E+03 0.23931E-03 -0.40866E-04 4544 0.584E-02 0.110E-01 RMM: 6 -0.319501466662E+03 -0.81610E-04 -0.25564E-04 3896 0.417E-02 0.161E-01 RMM: 7 -0.319501338215E+03 0.12845E-03 -0.11159E-04 3797 0.315E-02 0.931E-02 RMM: 8 -0.319501281275E+03 0.56940E-04 -0.29479E-05 2924 0.165E-02 0.302E-02 RMM: 9 -0.319501285756E+03 -0.44804E-05 -0.17236E-05 2516 0.121E-02 4832 T= 6844. E= 0.67966222E+03 F= 0.62304455E+03 E0= 0.65125517E+03 EK= 0.56618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319530932435E+03 -0.29651E-01 -0.20670E-01 7980 0.252E+01 0.242E-01 RMM: 2 -0.319544197623E+03 -0.13265E-01 -0.11721E-01 4941 0.826E-01 0.713E-01 RMM: 3 -0.319540652730E+03 0.35449E-02 -0.13077E-02 5939 0.215E-01 0.181E-01 RMM: 4 -0.319540467296E+03 0.18543E-03 -0.85509E-04 4731 0.743E-02 0.222E-01 RMM: 5 -0.319540129973E+03 0.33732E-03 -0.39909E-04 4464 0.557E-02 0.112E-01 RMM: 6 -0.319540199568E+03 -0.69595E-04 -0.23647E-04 3891 0.403E-02 0.155E-01 RMM: 7 -0.319540089584E+03 0.10998E-03 -0.99334E-05 3764 0.303E-02 0.974E-02 RMM: 8 -0.319540025470E+03 0.64114E-04 -0.33813E-05 3040 0.174E-02 0.273E-02 RMM: 9 -0.319540030533E+03 -0.50631E-05 -0.17384E-05 2510 0.121E-02 4833 T= 6858. E= 0.67950554E+03 F= 0.62277551E+03 E0= 0.65094249E+03 EK= 0.56730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319239109300E+03 0.30092E+00 -0.20282E-01 7896 0.250E+01 0.260E-01 RMM: 2 -0.319253187415E+03 -0.14078E-01 -0.11244E-01 5046 0.788E-01 0.847E-01 RMM: 3 -0.319248110893E+03 0.50765E-02 -0.12085E-02 5839 0.210E-01 0.187E-01 RMM: 4 -0.319248034150E+03 0.76742E-04 -0.10119E-03 4762 0.790E-02 0.244E-01 RMM: 5 -0.319247630147E+03 0.40400E-03 -0.40954E-04 4445 0.549E-02 0.116E-01 RMM: 6 -0.319247641134E+03 -0.10988E-04 -0.17966E-04 3880 0.347E-02 4834 T= 6682. E= 0.67811998E+03 F= 0.62284116E+03 E0= 0.65096076E+03 EK= 0.55279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318673326526E+03 0.57430E+00 -0.19413E-01 8040 0.244E+01 0.404E-01 RMM: 2 -0.318702071768E+03 -0.28745E-01 -0.11471E-01 5109 0.795E-01 0.173E+00 RMM: 3 -0.318681045070E+03 0.21027E-01 -0.16218E-02 5369 0.301E-01 0.286E-01 RMM: 4 -0.318680995943E+03 0.49127E-04 -0.20374E-03 4977 0.978E-02 0.296E-01 RMM: 5 -0.318680580428E+03 0.41551E-03 -0.56467E-04 4573 0.594E-02 0.207E-01 RMM: 6 -0.318680332907E+03 0.24752E-03 -0.28569E-04 3899 0.445E-02 0.982E-02 RMM: 7 -0.318680417673E+03 -0.84766E-04 -0.15647E-04 3876 0.342E-02 0.152E-01 RMM: 8 -0.318680259229E+03 0.15844E-03 -0.83229E-05 3606 0.270E-02 0.434E-02 RMM: 9 -0.318680251650E+03 0.75785E-05 -0.18146E-05 2564 0.126E-02 4835 T= 6397. E= 0.67609988E+03 F= 0.62318356E+03 E0= 0.65125650E+03 EK= 0.52916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317937576117E+03 0.74268E+00 -0.18826E-01 8124 0.237E+01 0.374E-01 RMM: 2 -0.317967282247E+03 -0.29706E-01 -0.11060E-01 5116 0.777E-01 0.176E+00 RMM: 3 -0.317945519119E+03 0.21763E-01 -0.15959E-02 5367 0.299E-01 0.335E-01 RMM: 4 -0.317945003002E+03 0.51612E-03 -0.21402E-03 4990 0.101E-01 0.223E-01 RMM: 5 -0.317944913773E+03 0.89229E-04 -0.44853E-04 4442 0.552E-02 0.207E-01 RMM: 6 -0.317944612747E+03 0.30103E-03 -0.15892E-04 3876 0.334E-02 0.492E-02 RMM: 7 -0.317944674070E+03 -0.61323E-04 -0.86472E-05 3631 0.237E-02 0.112E-01 RMM: 8 -0.317944588386E+03 0.85685E-04 -0.49569E-05 3245 0.222E-02 0.227E-02 RMM: 9 -0.317944587778E+03 0.60805E-06 -0.98395E-06 2480 0.911E-03 4836 T= 6117. E= 0.67430261E+03 F= 0.62369564E+03 E0= 0.65172402E+03 EK= 0.50607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317148953876E+03 0.79563E+00 -0.18215E-01 8364 0.232E+01 0.334E-01 RMM: 2 -0.317168703144E+03 -0.19749E-01 -0.10993E-01 5115 0.768E-01 0.130E+00 RMM: 3 -0.317156869766E+03 0.11833E-01 -0.11944E-02 5514 0.238E-01 0.223E-01 RMM: 4 -0.317157129420E+03 -0.25965E-03 -0.17402E-03 4892 0.979E-02 0.326E-01 RMM: 5 -0.317156447590E+03 0.68183E-03 -0.46222E-04 4326 0.540E-02 0.135E-01 RMM: 6 -0.317156357007E+03 0.90583E-04 -0.14386E-04 3875 0.318E-02 0.817E-02 RMM: 7 -0.317156397100E+03 -0.40092E-04 -0.95155E-05 3743 0.264E-02 0.118E-01 RMM: 8 -0.317156301690E+03 0.95409E-04 -0.48170E-05 3250 0.214E-02 0.302E-02 RMM: 9 -0.317156299663E+03 0.20275E-05 -0.12097E-05 2495 0.992E-03 4837 T= 5945. E= 0.67344539E+03 F= 0.62426312E+03 E0= 0.65225088E+03 EK= 0.49182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316405445172E+03 0.75086E+00 -0.17373E-01 8364 0.229E+01 0.286E-01 RMM: 2 -0.316419246290E+03 -0.13801E-01 -0.10407E-01 5169 0.731E-01 0.898E-01 RMM: 3 -0.316413172974E+03 0.60733E-02 -0.10201E-02 5622 0.211E-01 0.191E-01 RMM: 4 -0.316413496521E+03 -0.32355E-03 -0.12775E-03 4779 0.862E-02 0.317E-01 RMM: 5 -0.316412842438E+03 0.65408E-03 -0.37239E-04 3989 0.480E-02 0.119E-01 RMM: 6 -0.316412776478E+03 0.65960E-04 -0.13330E-04 3868 0.315E-02 0.760E-02 RMM: 7 -0.316412810960E+03 -0.34482E-04 -0.67721E-05 3504 0.225E-02 0.111E-01 RMM: 8 -0.316412725021E+03 0.85939E-04 -0.37392E-05 3039 0.197E-02 0.213E-02 RMM: 9 -0.316412727004E+03 -0.19829E-05 -0.12134E-05 2483 0.992E-03 4838 T= 5938. E= 0.67391528E+03 F= 0.62479131E+03 E0= 0.65274269E+03 EK= 0.49124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315771941112E+03 0.64078E+00 -0.17960E-01 8640 0.230E+01 0.245E-01 RMM: 2 -0.315783978117E+03 -0.12037E-01 -0.10926E-01 5207 0.731E-01 0.644E-01 RMM: 3 -0.315780476601E+03 0.35015E-02 -0.94989E-03 5838 0.191E-01 0.186E-01 RMM: 4 -0.315780598834E+03 -0.12223E-03 -0.99066E-04 4721 0.774E-02 0.276E-01 RMM: 5 -0.315780084206E+03 0.51463E-03 -0.35283E-04 4057 0.490E-02 0.949E-02 RMM: 6 -0.315780069025E+03 0.15181E-04 -0.10847E-04 3819 0.281E-02 4839 T= 6107. E= 0.67574001E+03 F= 0.62521691E+03 E0= 0.65313690E+03 EK= 0.50523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315283121565E+03 0.49696E+00 -0.19468E-01 8556 0.233E+01 0.377E-01 RMM: 2 -0.315314365723E+03 -0.31244E-01 -0.13382E-01 5114 0.837E-01 0.172E+00 RMM: 3 -0.315293083357E+03 0.21282E-01 -0.17082E-02 5393 0.303E-01 0.302E-01 RMM: 4 -0.315292577546E+03 0.50581E-03 -0.19573E-03 4916 0.927E-02 0.194E-01 RMM: 5 -0.315292487261E+03 0.90285E-04 -0.48279E-04 4531 0.565E-02 0.189E-01 RMM: 6 -0.315292268060E+03 0.21920E-03 -0.21819E-04 3883 0.388E-02 0.806E-02 RMM: 7 -0.315292351113E+03 -0.83053E-04 -0.13101E-04 3879 0.306E-02 0.140E-01 RMM: 8 -0.315292222932E+03 0.12818E-03 -0.62731E-05 3464 0.241E-02 0.468E-02 RMM: 9 -0.315292211144E+03 0.11788E-04 -0.16201E-05 2538 0.120E-02 4840 T= 6413. E= 0.67856474E+03 F= 0.62550815E+03 E0= 0.65340109E+03 EK= 0.53057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314942199213E+03 0.35002E+00 -0.21248E-01 8700 0.239E+01 0.329E-01 RMM: 2 -0.314971515698E+03 -0.29316E-01 -0.14752E-01 5097 0.874E-01 0.156E+00 RMM: 3 -0.314953940813E+03 0.17575E-01 -0.16797E-02 5422 0.292E-01 0.306E-01 RMM: 4 -0.314953290640E+03 0.65017E-03 -0.18797E-03 4946 0.925E-02 0.149E-01 RMM: 5 -0.314953228803E+03 0.61836E-04 -0.35542E-04 4145 0.488E-02 0.151E-01 RMM: 6 -0.314953089756E+03 0.13905E-03 -0.13608E-04 3875 0.319E-02 0.638E-02 RMM: 7 -0.314953143006E+03 -0.53251E-04 -0.94845E-05 3685 0.251E-02 0.115E-01 RMM: 8 -0.314953052432E+03 0.90574E-04 -0.54660E-05 3307 0.232E-02 0.239E-02 RMM: 9 -0.314953050947E+03 0.14850E-05 -0.97634E-06 2475 0.889E-03 4841 T= 6764. E= 0.68161916E+03 F= 0.62566171E+03 E0= 0.65353380E+03 EK= 0.55957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314733355631E+03 0.21970E+00 -0.22580E-01 8856 0.244E+01 0.261E-01 RMM: 2 -0.314756951053E+03 -0.23595E-01 -0.16286E-01 5068 0.901E-01 0.113E+00 RMM: 3 -0.314746857409E+03 0.10094E-01 -0.16045E-02 5644 0.259E-01 0.226E-01 RMM: 4 -0.314746505207E+03 0.35220E-03 -0.12616E-03 4836 0.796E-02 0.170E-01 RMM: 5 -0.314746321367E+03 0.18384E-03 -0.33102E-04 4198 0.496E-02 0.111E-01 RMM: 6 -0.314746291040E+03 0.30327E-04 -0.12665E-04 3871 0.294E-02 0.979E-02 RMM: 7 -0.314746265998E+03 0.25042E-04 -0.80386E-05 3638 0.249E-02 0.874E-02 RMM: 8 -0.314746214918E+03 0.51080E-04 -0.35135E-05 3031 0.187E-02 0.256E-02 RMM: 9 -0.314746218287E+03 -0.33682E-05 -0.13175E-05 2491 0.104E-02 4842 T= 7028. E= 0.68383496E+03 F= 0.62569281E+03 E0= 0.65355130E+03 EK= 0.58142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314638108516E+03 0.10811E+00 -0.23646E-01 8652 0.246E+01 0.237E-01 RMM: 2 -0.314658344261E+03 -0.20236E-01 -0.16777E-01 5106 0.912E-01 0.862E-01 RMM: 3 -0.314652115090E+03 0.62292E-02 -0.15701E-02 5982 0.243E-01 0.179E-01 RMM: 4 -0.314651836759E+03 0.27833E-03 -0.95957E-04 4805 0.730E-02 0.178E-01 RMM: 5 -0.314651631051E+03 0.20571E-03 -0.27122E-04 4018 0.450E-02 0.106E-01 RMM: 6 -0.314651611271E+03 0.19780E-04 -0.13520E-04 3879 0.315E-02 4843 T= 7091. E= 0.68427909E+03 F= 0.62561919E+03 E0= 0.65347206E+03 EK= 0.58660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314641946220E+03 0.96848E-02 -0.24134E-01 8448 0.245E+01 0.375E-01 RMM: 2 -0.314680924702E+03 -0.38978E-01 -0.18607E-01 5006 0.980E-01 0.182E+00 RMM: 3 -0.314656757980E+03 0.24167E-01 -0.21820E-02 5422 0.339E-01 0.318E-01 RMM: 4 -0.314656175031E+03 0.58295E-03 -0.22881E-03 5217 0.989E-02 0.184E-01 RMM: 5 -0.314656131067E+03 0.43964E-04 -0.48220E-04 4384 0.541E-02 0.197E-01 RMM: 6 -0.314655884152E+03 0.24692E-03 -0.22558E-04 3890 0.394E-02 0.831E-02 RMM: 7 -0.314655975292E+03 -0.91140E-04 -0.15530E-04 3888 0.331E-02 0.144E-01 RMM: 8 -0.314655833376E+03 0.14192E-03 -0.76594E-05 3571 0.263E-02 0.434E-02 RMM: 9 -0.314655823883E+03 0.94933E-05 -0.18168E-05 2569 0.126E-02 4844 T= 6922. E= 0.68271820E+03 F= 0.62545146E+03 E0= 0.65330572E+03 EK= 0.57267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314749064031E+03 -0.93231E-01 -0.22224E-01 8712 0.241E+01 0.366E-01 RMM: 2 -0.314788063950E+03 -0.39000E-01 -0.15961E-01 4988 0.905E-01 0.191E+00 RMM: 3 -0.314761317331E+03 0.26747E-01 -0.19858E-02 5391 0.330E-01 0.305E-01 RMM: 4 -0.314760733779E+03 0.58355E-03 -0.22467E-03 5215 0.100E-01 0.167E-01 RMM: 5 -0.314760715871E+03 0.17908E-04 -0.36155E-04 3998 0.460E-02 0.175E-01 RMM: 6 -0.314760503694E+03 0.21218E-03 -0.14426E-04 3878 0.338E-02 0.508E-02 RMM: 7 -0.314760540035E+03 -0.36340E-04 -0.64568E-05 3420 0.211E-02 0.936E-02 RMM: 8 -0.314760480540E+03 0.59495E-04 -0.40873E-05 3008 0.205E-02 0.268E-02 RMM: 9 -0.314760477532E+03 0.30082E-05 -0.11223E-05 2472 0.969E-03 4845 T= 6599. E= 0.67978031E+03 F= 0.62518570E+03 E0= 0.65304795E+03 EK= 0.54595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314962095589E+03 -0.20162E+00 -0.20711E-01 8628 0.236E+01 0.281E-01 RMM: 2 -0.314982301186E+03 -0.20206E-01 -0.14556E-01 5044 0.867E-01 0.105E+00 RMM: 3 -0.314973863884E+03 0.84373E-02 -0.14398E-02 5711 0.247E-01 0.216E-01 RMM: 4 -0.314973748166E+03 0.11572E-03 -0.13280E-03 4911 0.851E-02 0.235E-01 RMM: 5 -0.314973401008E+03 0.34716E-03 -0.31462E-04 3919 0.446E-02 0.118E-01 RMM: 6 -0.314973331150E+03 0.69858E-04 -0.12109E-04 3842 0.303E-02 0.724E-02 RMM: 7 -0.314973368134E+03 -0.36984E-04 -0.85128E-05 3724 0.250E-02 0.110E-01 RMM: 8 -0.314973285456E+03 0.82678E-04 -0.39372E-05 3105 0.197E-02 0.259E-02 RMM: 9 -0.314973284090E+03 0.13659E-05 -0.11665E-05 2481 0.986E-03 4846 T= 6253. E= 0.67654219E+03 F= 0.62481311E+03 E0= 0.65268768E+03 EK= 0.51729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315286878802E+03 -0.31359E+00 -0.19269E-01 8352 0.231E+01 0.250E-01 RMM: 2 -0.315303386628E+03 -0.16508E-01 -0.13631E-01 4987 0.843E-01 0.821E-01 RMM: 3 -0.315298070698E+03 0.53159E-02 -0.13939E-02 5953 0.227E-01 0.163E-01 RMM: 4 -0.315298028454E+03 0.42244E-04 -0.10213E-03 4795 0.777E-02 0.239E-01 RMM: 5 -0.315297654032E+03 0.37442E-03 -0.28948E-04 3933 0.446E-02 0.974E-02 RMM: 6 -0.315297615225E+03 0.38807E-04 -0.95415E-05 3646 0.276E-02 0.690E-02 RMM: 7 -0.315297635573E+03 -0.20348E-04 -0.57086E-05 3323 0.213E-02 0.952E-02 RMM: 8 -0.315297572748E+03 0.62825E-04 -0.33558E-05 2929 0.188E-02 0.211E-02 RMM: 9 -0.315297573164E+03 -0.41632E-06 -0.10580E-05 2469 0.930E-03 4847 T= 6000. E= 0.67396843E+03 F= 0.62433075E+03 E0= 0.65221954E+03 EK= 0.49638E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315709151668E+03 -0.41158E+00 -0.18425E-01 8244 0.229E+01 0.222E-01 RMM: 2 -0.315722940802E+03 -0.13789E-01 -0.11918E-01 4975 0.784E-01 0.703E-01 RMM: 3 -0.315719093516E+03 0.38473E-02 -0.12189E-02 5935 0.209E-01 0.163E-01 RMM: 4 -0.315719073088E+03 0.20427E-04 -0.87414E-04 4734 0.728E-02 0.231E-01 RMM: 5 -0.315718707784E+03 0.36530E-03 -0.25598E-04 3916 0.420E-02 0.846E-02 RMM: 6 -0.315718692012E+03 0.15773E-04 -0.88038E-05 3588 0.262E-02 4848 T= 5909. E= 0.67263458E+03 F= 0.62375490E+03 E0= 0.65165777E+03 EK= 0.48880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316187122063E+03 -0.46841E+00 -0.17874E-01 7872 0.231E+01 0.334E-01 RMM: 2 -0.316215366247E+03 -0.28244E-01 -0.11688E-01 4995 0.790E-01 0.165E+00 RMM: 3 -0.316196105785E+03 0.19260E-01 -0.15706E-02 5421 0.286E-01 0.251E-01 RMM: 4 -0.316195768649E+03 0.33714E-03 -0.16868E-03 4835 0.836E-02 0.168E-01 RMM: 5 -0.316195691342E+03 0.77306E-04 -0.34246E-04 4109 0.471E-02 0.161E-01 RMM: 6 -0.316195539517E+03 0.15183E-03 -0.16810E-04 3884 0.358E-02 0.739E-02 RMM: 7 -0.316195591940E+03 -0.52423E-04 -0.94712E-05 3745 0.266E-02 0.117E-01 RMM: 8 -0.316195500684E+03 0.91256E-04 -0.50584E-05 3272 0.224E-02 0.421E-02 RMM: 9 -0.316195491490E+03 0.91946E-05 -0.14753E-05 2519 0.117E-02 4849 T= 5994. E= 0.67271202E+03 F= 0.62312891E+03 E0= 0.65104451E+03 EK= 0.49583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316648756100E+03 -0.45326E+00 -0.17817E-01 7776 0.235E+01 0.297E-01 RMM: 2 -0.316674614360E+03 -0.25858E-01 -0.11724E-01 4851 0.804E-01 0.152E+00 RMM: 3 -0.316658414701E+03 0.16200E-01 -0.15396E-02 5445 0.275E-01 0.280E-01 RMM: 4 -0.316657843275E+03 0.57143E-03 -0.16023E-03 4817 0.845E-02 0.118E-01 RMM: 5 -0.316657845073E+03 -0.17980E-05 -0.28509E-04 3962 0.448E-02 0.137E-01 RMM: 6 -0.316657713456E+03 0.13162E-03 -0.98820E-05 3759 0.275E-02 0.477E-02 RMM: 7 -0.316657752891E+03 -0.39434E-04 -0.66143E-05 3434 0.221E-02 0.951E-02 RMM: 8 -0.316657692732E+03 0.60159E-04 -0.36386E-05 3007 0.201E-02 0.244E-02 RMM: 9 -0.316657690521E+03 0.22110E-05 -0.84375E-06 2467 0.829E-03 4850 T= 6223. E= 0.67400860E+03 F= 0.62252498E+03 E0= 0.65045107E+03 EK= 0.51484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316999204299E+03 -0.34151E+00 -0.18591E-01 7644 0.241E+01 0.222E-01 RMM: 2 -0.317017779292E+03 -0.18575E-01 -0.12528E-01 4869 0.824E-01 0.104E+00 RMM: 3 -0.317010081727E+03 0.76976E-02 -0.14658E-02 5729 0.233E-01 0.190E-01 RMM: 4 -0.317009721227E+03 0.36050E-03 -0.93937E-04 4706 0.679E-02 0.130E-01 RMM: 5 -0.317009619785E+03 0.10144E-03 -0.22767E-04 3918 0.422E-02 0.977E-02 RMM: 6 -0.317009596773E+03 0.23013E-04 -0.10139E-04 3789 0.274E-02 0.854E-02 RMM: 7 -0.317009586208E+03 0.10565E-04 -0.63416E-05 3435 0.229E-02 4851 T= 6521. E= 0.67598197E+03 F= 0.62203987E+03 E0= 0.64997342E+03 EK= 0.53942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317136114565E+03 -0.12652E+00 -0.19452E-01 8124 0.247E+01 0.213E-01 RMM: 2 -0.317151670203E+03 -0.15556E-01 -0.12156E-01 4896 0.821E-01 0.839E-01 RMM: 3 -0.317146835033E+03 0.48352E-02 -0.14534E-02 5912 0.220E-01 0.192E-01 RMM: 4 -0.317146406918E+03 0.42812E-03 -0.78224E-04 4711 0.654E-02 0.130E-01 RMM: 5 -0.317146289298E+03 0.11762E-03 -0.22169E-04 3924 0.428E-02 0.899E-02 RMM: 6 -0.317146300735E+03 -0.11437E-04 -0.11793E-04 3846 0.292E-02 4852 T= 6774. E= 0.67781498E+03 F= 0.62177839E+03 E0= 0.64971567E+03 EK= 0.56037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316965470344E+03 0.18082E+00 -0.21227E-01 7680 0.251E+01 0.322E-01 RMM: 2 -0.316999495926E+03 -0.34026E-01 -0.15911E-01 4773 0.932E-01 0.170E+00 RMM: 3 -0.316978833170E+03 0.20663E-01 -0.20754E-02 5449 0.318E-01 0.316E-01 RMM: 4 -0.316978097322E+03 0.73585E-03 -0.19954E-03 5082 0.878E-02 0.116E-01 RMM: 5 -0.316978073822E+03 0.23500E-04 -0.30771E-04 3982 0.449E-02 0.130E-01 RMM: 6 -0.316977970033E+03 0.10379E-03 -0.12548E-04 3865 0.308E-02 0.686E-02 RMM: 7 -0.316978018003E+03 -0.47970E-04 -0.89986E-05 3686 0.258E-02 0.111E-01 RMM: 8 -0.316977935669E+03 0.82334E-04 -0.45067E-05 3170 0.209E-02 0.441E-02 RMM: 9 -0.316977925367E+03 0.10302E-04 -0.16667E-05 2526 0.122E-02 4853 T= 6875. E= 0.67870376E+03 F= 0.62182953E+03 E0= 0.64976808E+03 EK= 0.56874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316448934312E+03 0.52900E+00 -0.20303E-01 7884 0.252E+01 0.334E-01 RMM: 2 -0.316483267861E+03 -0.34334E-01 -0.13271E-01 4823 0.862E-01 0.182E+00 RMM: 3 -0.316459798324E+03 0.23470E-01 -0.18598E-02 5421 0.313E-01 0.314E-01 RMM: 4 -0.316459088043E+03 0.71028E-03 -0.19485E-03 4976 0.904E-02 0.115E-01 RMM: 5 -0.316459079004E+03 0.90392E-05 -0.28653E-04 3925 0.422E-02 0.134E-01 RMM: 6 -0.316458959213E+03 0.11979E-03 -0.10136E-04 3808 0.283E-02 0.493E-02 RMM: 7 -0.316458991149E+03 -0.31936E-04 -0.58777E-05 3342 0.211E-02 0.891E-02 RMM: 8 -0.316458939204E+03 0.51945E-04 -0.35869E-05 2913 0.192E-02 0.337E-02 RMM: 9 -0.316458933087E+03 0.61165E-05 -0.11098E-05 2480 0.988E-03 4854 T= 6776. E= 0.67829528E+03 F= 0.62223755E+03 E0= 0.65017164E+03 EK= 0.56058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315592739133E+03 0.86620E+00 -0.19350E-01 7848 0.249E+01 0.256E-01 RMM: 2 -0.315612947421E+03 -0.20208E-01 -0.12606E-01 4915 0.824E-01 0.117E+00 RMM: 3 -0.315603328448E+03 0.96190E-02 -0.14740E-02 5620 0.248E-01 0.213E-01 RMM: 4 -0.315602997244E+03 0.33120E-03 -0.11670E-03 4729 0.739E-02 0.145E-01 RMM: 5 -0.315602906010E+03 0.91234E-04 -0.21372E-04 3890 0.372E-02 0.119E-01 RMM: 6 -0.315602819350E+03 0.86660E-04 -0.78855E-05 3548 0.247E-02 0.564E-02 RMM: 7 -0.315602860106E+03 -0.40756E-04 -0.86147E-05 3771 0.249E-02 0.102E-01 RMM: 8 -0.315602788248E+03 0.71858E-04 -0.41909E-05 3159 0.201E-02 0.251E-02 RMM: 9 -0.315602786333E+03 0.19145E-05 -0.98879E-06 2475 0.908E-03 4855 T= 6520. E= 0.67692297E+03 F= 0.62298794E+03 E0= 0.65091346E+03 EK= 0.53935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314466254344E+03 0.11365E+01 -0.18791E-01 7944 0.244E+01 0.215E-01 RMM: 2 -0.314481637853E+03 -0.15384E-01 -0.12818E-01 4877 0.825E-01 0.766E-01 RMM: 3 -0.314477270907E+03 0.43669E-02 -0.14589E-02 5932 0.224E-01 0.160E-01 RMM: 4 -0.314477037523E+03 0.23338E-03 -0.84513E-04 4697 0.689E-02 0.173E-01 RMM: 5 -0.314476841926E+03 0.19560E-03 -0.18212E-04 3887 0.350E-02 0.852E-02 RMM: 6 -0.314476804372E+03 0.37555E-04 -0.54901E-05 3264 0.213E-02 0.514E-02 RMM: 7 -0.314476830956E+03 -0.26584E-04 -0.56174E-05 3357 0.208E-02 0.884E-02 RMM: 8 -0.314476776934E+03 0.54022E-04 -0.33380E-05 2904 0.181E-02 0.186E-02 RMM: 9 -0.314476776932E+03 0.25229E-08 -0.94713E-06 2458 0.883E-03 4856 T= 6211. E= 0.67539625E+03 F= 0.62401308E+03 E0= 0.65192512E+03 EK= 0.51383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313171989309E+03 0.13048E+01 -0.18345E-01 8088 0.240E+01 0.223E-01 RMM: 2 -0.313186700185E+03 -0.14711E-01 -0.12316E-01 5043 0.795E-01 0.751E-01 RMM: 3 -0.313182274050E+03 0.44261E-02 -0.12975E-02 5955 0.210E-01 0.172E-01 RMM: 4 -0.313182058386E+03 0.21566E-03 -0.87002E-04 4713 0.708E-02 0.185E-01 RMM: 5 -0.313181839553E+03 0.21883E-03 -0.19607E-04 3881 0.358E-02 0.917E-02 RMM: 6 -0.313181792882E+03 0.46671E-04 -0.56973E-05 3304 0.222E-02 0.500E-02 RMM: 7 -0.313181824771E+03 -0.31889E-04 -0.57406E-05 3367 0.208E-02 0.904E-02 RMM: 8 -0.313181770469E+03 0.54302E-04 -0.36247E-05 2934 0.182E-02 0.273E-02 RMM: 9 -0.313181767480E+03 0.29894E-05 -0.10654E-05 2464 0.942E-03 4857 T= 5965. E= 0.67456195E+03 F= 0.62521264E+03 E0= 0.65310713E+03 EK= 0.49349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311816220854E+03 0.13655E+01 -0.17772E-01 8328 0.236E+01 0.232E-01 RMM: 2 -0.311830921628E+03 -0.14701E-01 -0.11342E-01 5077 0.765E-01 0.838E-01 RMM: 3 -0.311825508268E+03 0.54134E-02 -0.11814E-02 5856 0.210E-01 0.185E-01 RMM: 4 -0.311825307886E+03 0.20038E-03 -0.87552E-04 4677 0.688E-02 0.178E-01 RMM: 5 -0.311825126626E+03 0.18126E-03 -0.18784E-04 3879 0.342E-02 0.107E-01 RMM: 6 -0.311825056109E+03 0.70517E-04 -0.67551E-05 3428 0.239E-02 0.438E-02 RMM: 7 -0.311825088774E+03 -0.32664E-04 -0.53848E-05 3263 0.203E-02 0.879E-02 RMM: 8 -0.311825038374E+03 0.50399E-04 -0.36361E-05 2854 0.185E-02 0.282E-02 RMM: 9 -0.311825034881E+03 0.34935E-05 -0.11511E-05 2463 0.991E-03 4858 T= 5865. E= 0.67500277E+03 F= 0.62648048E+03 E0= 0.65435380E+03 EK= 0.48522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310492602317E+03 0.13324E+01 -0.18286E-01 8436 0.236E+01 0.230E-01 RMM: 2 -0.310508028440E+03 -0.15426E-01 -0.11538E-01 5060 0.779E-01 0.882E-01 RMM: 3 -0.310502148063E+03 0.58804E-02 -0.12199E-02 5861 0.213E-01 0.192E-01 RMM: 4 -0.310501855612E+03 0.29245E-03 -0.91834E-04 4677 0.706E-02 0.154E-01 RMM: 5 -0.310501736049E+03 0.11956E-03 -0.17373E-04 3881 0.330E-02 0.105E-01 RMM: 6 -0.310501665521E+03 0.70528E-04 -0.54511E-05 3288 0.219E-02 0.435E-02 RMM: 7 -0.310501693434E+03 -0.27913E-04 -0.49078E-05 3173 0.198E-02 0.828E-02 RMM: 8 -0.310501649359E+03 0.44075E-04 -0.35305E-05 2831 0.178E-02 0.303E-02 RMM: 9 -0.310501644852E+03 0.45078E-05 -0.11099E-05 2464 0.984E-03 4859 T= 5951. E= 0.67695142E+03 F= 0.62772282E+03 E0= 0.65557272E+03 EK= 0.49229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309273626837E+03 0.12280E+01 -0.19356E-01 8436 0.239E+01 0.209E-01 RMM: 2 -0.309288061276E+03 -0.14434E-01 -0.11386E-01 5067 0.771E-01 0.795E-01 RMM: 3 -0.309283134061E+03 0.49272E-02 -0.11791E-02 5910 0.208E-01 0.169E-01 RMM: 4 -0.309282901780E+03 0.23228E-03 -0.76097E-04 4675 0.645E-02 0.151E-01 RMM: 5 -0.309282779662E+03 0.12212E-03 -0.15622E-04 3873 0.318E-02 0.984E-02 RMM: 6 -0.309282720664E+03 0.58998E-04 -0.56676E-05 3311 0.221E-02 0.439E-02 RMM: 7 -0.309282752777E+03 -0.32113E-04 -0.48789E-05 3171 0.199E-02 0.870E-02 RMM: 8 -0.309282702235E+03 0.50542E-04 -0.33280E-05 2736 0.178E-02 0.274E-02 RMM: 9 -0.309282698852E+03 0.33821E-05 -0.10879E-05 2461 0.958E-03 4860 T= 6214. E= 0.68027398E+03 F= 0.62886948E+03 E0= 0.65669454E+03 EK= 0.51405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308200850155E+03 0.10819E+01 -0.20860E-01 8448 0.245E+01 0.198E-01 RMM: 2 -0.308216629440E+03 -0.15779E-01 -0.12438E-01 5013 0.806E-01 0.830E-01 RMM: 3 -0.308211389622E+03 0.52398E-02 -0.13063E-02 5972 0.214E-01 0.153E-01 RMM: 4 -0.308211137610E+03 0.25201E-03 -0.74489E-04 4693 0.648E-02 0.143E-01 RMM: 5 -0.308211019527E+03 0.11808E-03 -0.14500E-04 3874 0.316E-02 0.856E-02 RMM: 6 -0.308210978779E+03 0.40748E-04 -0.44083E-05 3100 0.197E-02 0.489E-02 RMM: 7 -0.308211000401E+03 -0.21622E-04 -0.54320E-05 3319 0.209E-02 0.815E-02 RMM: 8 -0.308210954617E+03 0.45784E-04 -0.31129E-05 2827 0.172E-02 0.220E-02 RMM: 9 -0.308210954899E+03 -0.28203E-06 -0.10467E-05 2462 0.915E-03 4861 T= 6591. E= 0.68440551E+03 F= 0.62987790E+03 E0= 0.65767844E+03 EK= 0.54528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307294841217E+03 0.91611E+00 -0.21987E-01 8436 0.251E+01 0.181E-01 RMM: 2 -0.307309913732E+03 -0.15073E-01 -0.13523E-01 4991 0.847E-01 0.648E-01 RMM: 3 -0.307306555445E+03 0.33583E-02 -0.14346E-02 6058 0.219E-01 0.142E-01 RMM: 4 -0.307306279663E+03 0.27578E-03 -0.67303E-04 4681 0.633E-02 0.142E-01 RMM: 5 -0.307306150705E+03 0.12896E-03 -0.14010E-04 3878 0.321E-02 0.774E-02 RMM: 6 -0.307306124601E+03 0.26103E-04 -0.47342E-05 3165 0.199E-02 0.558E-02 RMM: 7 -0.307306138833E+03 -0.14232E-04 -0.48957E-05 3190 0.205E-02 4862 T= 6961. E= 0.68831556E+03 F= 0.63072786E+03 E0= 0.65850583E+03 EK= 0.57588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306562701208E+03 0.74342E+00 -0.22447E-01 8592 0.254E+01 0.206E-01 RMM: 2 -0.306579607867E+03 -0.16907E-01 -0.14682E-01 4948 0.888E-01 0.744E-01 RMM: 3 -0.306575392119E+03 0.42157E-02 -0.16209E-02 6109 0.236E-01 0.182E-01 RMM: 4 -0.306574980207E+03 0.41191E-03 -0.77922E-04 4719 0.665E-02 0.136E-01 RMM: 5 -0.306574869066E+03 0.11114E-03 -0.15480E-04 3889 0.334E-02 0.845E-02 RMM: 6 -0.306574847458E+03 0.21608E-04 -0.62863E-05 3356 0.224E-02 0.691E-02 RMM: 7 -0.306574871002E+03 -0.23545E-04 -0.69585E-05 3650 0.225E-02 0.976E-02 RMM: 8 -0.306574806109E+03 0.64894E-04 -0.37172E-05 3004 0.185E-02 0.272E-02 RMM: 9 -0.306574807941E+03 -0.18324E-05 -0.15154E-05 2495 0.113E-02 4863 T= 7174. E= 0.69075961E+03 F= 0.63141180E+03 E0= 0.65917059E+03 EK= 0.59348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306016652273E+03 0.55815E+00 -0.23633E-01 8124 0.254E+01 0.245E-01 RMM: 2 -0.306038609565E+03 -0.21957E-01 -0.17884E-01 4850 0.987E-01 0.916E-01 RMM: 3 -0.306031888373E+03 0.67212E-02 -0.19786E-02 5945 0.271E-01 0.200E-01 RMM: 4 -0.306031433979E+03 0.45439E-03 -0.11159E-03 4814 0.775E-02 0.153E-01 RMM: 5 -0.306031323092E+03 0.11089E-03 -0.20020E-04 3905 0.366E-02 0.106E-01 RMM: 6 -0.306031253224E+03 0.69868E-04 -0.65302E-05 3374 0.233E-02 0.390E-02 RMM: 7 -0.306031271968E+03 -0.18744E-04 -0.35100E-05 2791 0.179E-02 4864 T= 7131. E= 0.69091078E+03 F= 0.63191436E+03 E0= 0.65966011E+03 EK= 0.58996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305696011232E+03 0.33524E+00 -0.22604E-01 7980 0.250E+01 0.253E-01 RMM: 2 -0.305716395304E+03 -0.20384E-01 -0.16248E-01 5052 0.931E-01 0.942E-01 RMM: 3 -0.305709543863E+03 0.68514E-02 -0.17039E-02 5910 0.254E-01 0.199E-01 RMM: 4 -0.305709163533E+03 0.38033E-03 -0.10156E-03 4759 0.724E-02 0.155E-01 RMM: 5 -0.305709025880E+03 0.13765E-03 -0.17797E-04 3903 0.333E-02 0.958E-02 RMM: 6 -0.305708985634E+03 0.40245E-04 -0.67975E-05 3419 0.234E-02 0.624E-02 RMM: 7 -0.305709029075E+03 -0.43441E-04 -0.85258E-05 3865 0.241E-02 0.105E-01 RMM: 8 -0.305708956585E+03 0.72490E-04 -0.37390E-05 3013 0.184E-02 0.296E-02 RMM: 9 -0.305708953778E+03 0.28064E-05 -0.12540E-05 2479 0.105E-02 4865 T= 6856. E= 0.68891886E+03 F= 0.63220136E+03 E0= 0.65994166E+03 EK= 0.56718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305648165451E+03 0.60791E-01 -0.21581E-01 8076 0.243E+01 0.283E-01 RMM: 2 -0.305671327210E+03 -0.23162E-01 -0.16588E-01 5024 0.951E-01 0.113E+00 RMM: 3 -0.305661789015E+03 0.95382E-02 -0.18099E-02 5834 0.263E-01 0.213E-01 RMM: 4 -0.305661406440E+03 0.38258E-03 -0.12465E-03 4798 0.804E-02 0.179E-01 RMM: 5 -0.305661249340E+03 0.15710E-03 -0.22293E-04 3899 0.370E-02 0.119E-01 RMM: 6 -0.305661157896E+03 0.91444E-04 -0.77819E-05 3500 0.256E-02 0.359E-02 RMM: 7 -0.305661175669E+03 -0.17773E-04 -0.38403E-05 2869 0.179E-02 4866 T= 6475. E= 0.68578675E+03 F= 0.63221920E+03 E0= 0.65996249E+03 EK= 0.53568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.305926256260E+03 -0.26510E+00 -0.20584E-01 8064 0.237E+01 0.271E-01 RMM: 2 -0.305948063740E+03 -0.21807E-01 -0.15589E-01 5111 0.924E-01 0.110E+00 RMM: 3 -0.305939202274E+03 0.88615E-02 -0.17176E-02 5810 0.255E-01 0.215E-01 RMM: 4 -0.305938766080E+03 0.43619E-03 -0.11468E-03 4756 0.756E-02 0.147E-01 RMM: 5 -0.305938644101E+03 0.12198E-03 -0.18236E-04 3924 0.322E-02 0.944E-02 RMM: 6 -0.305938600469E+03 0.43631E-04 -0.55799E-05 3271 0.215E-02 0.557E-02 RMM: 7 -0.305938643794E+03 -0.43324E-04 -0.72862E-05 3673 0.231E-02 0.994E-02 RMM: 8 -0.305938580052E+03 0.63741E-04 -0.37160E-05 2955 0.181E-02 0.287E-02 RMM: 9 -0.305938577859E+03 0.21938E-05 -0.13263E-05 2482 0.108E-02 4867 T= 6140. E= 0.68271344E+03 F= 0.63191746E+03 E0= 0.65967213E+03 EK= 0.50796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.306550277569E+03 -0.61170E+00 -0.19632E-01 8256 0.232E+01 0.240E-01 RMM: 2 -0.306569115557E+03 -0.18838E-01 -0.14902E-01 5078 0.886E-01 0.933E-01 RMM: 3 -0.306562732824E+03 0.63827E-02 -0.15847E-02 5927 0.232E-01 0.167E-01 RMM: 4 -0.306562433743E+03 0.29908E-03 -0.93041E-04 4718 0.712E-02 0.175E-01 RMM: 5 -0.306562251344E+03 0.18240E-03 -0.17957E-04 3896 0.339E-02 0.942E-02 RMM: 6 -0.306562196924E+03 0.54420E-04 -0.57255E-05 3289 0.222E-02 0.418E-02 RMM: 7 -0.306562210100E+03 -0.13176E-04 -0.42860E-05 2926 0.189E-02 4868 T= 5957. E= 0.68055730E+03 F= 0.63127558E+03 E0= 0.65904823E+03 EK= 0.49282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.307490893858E+03 -0.92870E+00 -0.18965E-01 8640 0.232E+01 0.211E-01 RMM: 2 -0.307506621180E+03 -0.15727E-01 -0.13049E-01 5158 0.820E-01 0.796E-01 RMM: 3 -0.307501882399E+03 0.47388E-02 -0.13379E-02 5973 0.214E-01 0.155E-01 RMM: 4 -0.307501590062E+03 0.29234E-03 -0.71857E-04 4766 0.608E-02 0.137E-01 RMM: 5 -0.307501463460E+03 0.12660E-03 -0.12442E-04 3854 0.275E-02 0.663E-02 RMM: 6 -0.307501458788E+03 0.46720E-05 -0.43022E-05 3111 0.190E-02 4869 T= 5968. E= 0.67969805E+03 F= 0.63032465E+03 E0= 0.65812085E+03 EK= 0.49373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308657273092E+03 -0.11558E+01 -0.19808E-01 8412 0.236E+01 0.302E-01 RMM: 2 -0.308689179469E+03 -0.31906E-01 -0.14893E-01 5082 0.867E-01 0.165E+00 RMM: 3 -0.308669498126E+03 0.19681E-01 -0.16765E-02 5436 0.286E-01 0.282E-01 RMM: 4 -0.308668936146E+03 0.56198E-03 -0.17264E-03 4855 0.845E-02 0.112E-01 RMM: 5 -0.308668879838E+03 0.56307E-04 -0.22236E-04 4048 0.335E-02 0.976E-02 RMM: 6 -0.308668822225E+03 0.57613E-04 -0.49550E-05 3190 0.202E-02 0.553E-02 RMM: 7 -0.308668846226E+03 -0.24001E-04 -0.59619E-05 3406 0.215E-02 0.854E-02 RMM: 8 -0.308668798431E+03 0.47795E-04 -0.48442E-05 3056 0.189E-02 0.338E-02 RMM: 9 -0.308668793956E+03 0.44754E-05 -0.15865E-05 2501 0.120E-02 4870 T= 6157. E= 0.68008456E+03 F= 0.62915241E+03 E0= 0.65697383E+03 EK= 0.50932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309919403915E+03 -0.12506E+01 -0.20440E-01 8460 0.242E+01 0.370E-01 RMM: 2 -0.309960906269E+03 -0.41502E-01 -0.15641E-01 5102 0.925E-01 0.203E+00 RMM: 3 -0.309931794713E+03 0.29112E-01 -0.20153E-02 5412 0.324E-01 0.333E-01 RMM: 4 -0.309930988538E+03 0.80617E-03 -0.23195E-03 5005 0.100E-01 0.123E-01 RMM: 5 -0.309930975389E+03 0.13149E-04 -0.28960E-04 3920 0.387E-02 0.138E-01 RMM: 6 -0.309930845732E+03 0.12966E-03 -0.74400E-05 3533 0.242E-02 0.397E-02 RMM: 7 -0.309930855465E+03 -0.97331E-05 -0.31607E-05 2740 0.162E-02 4871 T= 6453. E= 0.68127381E+03 F= 0.62789211E+03 E0= 0.65573773E+03 EK= 0.53382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311123846667E+03 -0.11930E+01 -0.22150E-01 8100 0.249E+01 0.214E-01 RMM: 2 -0.311143458426E+03 -0.19612E-01 -0.15807E-01 5118 0.901E-01 0.887E-01 RMM: 3 -0.311137578509E+03 0.58799E-02 -0.16727E-02 5921 0.239E-01 0.170E-01 RMM: 4 -0.311137215579E+03 0.36293E-03 -0.85961E-04 4760 0.657E-02 0.144E-01 RMM: 5 -0.311137067123E+03 0.14846E-03 -0.14930E-04 3885 0.309E-02 0.722E-02 RMM: 6 -0.311137060378E+03 0.67451E-05 -0.50670E-05 3209 0.199E-02 4872 T= 6743. E= 0.68248023E+03 F= 0.62669404E+03 E0= 0.65455924E+03 EK= 0.55786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312140910892E+03 -0.10038E+01 -0.23192E-01 8016 0.254E+01 0.360E-01 RMM: 2 -0.312179895471E+03 -0.38985E-01 -0.17569E-01 5026 0.974E-01 0.186E+00 RMM: 3 -0.312154905384E+03 0.24990E-01 -0.22388E-02 5438 0.337E-01 0.299E-01 RMM: 4 -0.312154271518E+03 0.63387E-03 -0.22415E-03 5091 0.941E-02 0.123E-01 RMM: 5 -0.312154213222E+03 0.58295E-04 -0.26765E-04 3971 0.358E-02 0.120E-01 RMM: 6 -0.312154124303E+03 0.88920E-04 -0.66942E-05 3435 0.233E-02 0.536E-02 RMM: 7 -0.312154135913E+03 -0.11611E-04 -0.39043E-05 2995 0.179E-02 4873 T= 6905. E= 0.68281608E+03 F= 0.62569124E+03 E0= 0.65356844E+03 EK= 0.57125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312892482173E+03 -0.73836E+00 -0.23702E-01 8148 0.255E+01 0.331E-01 RMM: 2 -0.312930397262E+03 -0.37915E-01 -0.17130E-01 4897 0.968E-01 0.182E+00 RMM: 3 -0.312906781252E+03 0.23616E-01 -0.20698E-02 5442 0.317E-01 0.301E-01 RMM: 4 -0.312906126315E+03 0.65494E-03 -0.21790E-03 5141 0.983E-02 0.138E-01 RMM: 5 -0.312906073320E+03 0.52995E-04 -0.28549E-04 3923 0.389E-02 0.120E-01 RMM: 6 -0.312905973926E+03 0.99394E-04 -0.68260E-05 3459 0.227E-02 0.440E-02 RMM: 7 -0.312905988758E+03 -0.14832E-04 -0.36401E-05 2895 0.174E-02 4874 T= 6864. E= 0.68174518E+03 F= 0.62495984E+03 E0= 0.65284001E+03 EK= 0.56785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313376265923E+03 -0.47029E+00 -0.23154E-01 7992 0.252E+01 0.280E-01 RMM: 2 -0.313402234443E+03 -0.25969E-01 -0.16040E-01 4874 0.927E-01 0.133E+00 RMM: 3 -0.313389548969E+03 0.12685E-01 -0.18663E-02 5598 0.288E-01 0.198E-01 RMM: 4 -0.313389233899E+03 0.31507E-03 -0.13849E-03 4965 0.760E-02 0.132E-01 RMM: 5 -0.313389154200E+03 0.79699E-04 -0.18577E-04 3931 0.337E-02 0.106E-01 RMM: 6 -0.313389082555E+03 0.71645E-04 -0.64981E-05 3368 0.227E-02 0.482E-02 RMM: 7 -0.313389116564E+03 -0.34009E-04 -0.50623E-05 3161 0.201E-02 0.940E-02 RMM: 8 -0.313389060021E+03 0.56543E-04 -0.56037E-05 3338 0.207E-02 0.318E-02 RMM: 9 -0.313389055878E+03 0.41429E-05 -0.14081E-05 2485 0.113E-02 4875 T= 6640. E= 0.67943483E+03 F= 0.62450371E+03 E0= 0.65237752E+03 EK= 0.54931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313643920561E+03 -0.25486E+00 -0.22454E-01 8076 0.247E+01 0.188E-01 RMM: 2 -0.313660806040E+03 -0.16885E-01 -0.14241E-01 4902 0.859E-01 0.744E-01 RMM: 3 -0.313656348802E+03 0.44572E-02 -0.14905E-02 5933 0.230E-01 0.145E-01 RMM: 4 -0.313656136191E+03 0.21261E-03 -0.79187E-04 4716 0.683E-02 0.164E-01 RMM: 5 -0.313655955937E+03 0.18025E-03 -0.15367E-04 3858 0.344E-02 0.633E-02 RMM: 6 -0.313655936766E+03 0.19171E-04 -0.37687E-05 2980 0.183E-02 4876 T= 6331. E= 0.67664699E+03 F= 0.62427075E+03 E0= 0.65213105E+03 EK= 0.52376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313772423776E+03 -0.11647E+00 -0.21110E-01 8064 0.241E+01 0.251E-01 RMM: 2 -0.313794734083E+03 -0.22310E-01 -0.12445E-01 4972 0.818E-01 0.128E+00 RMM: 3 -0.313782798431E+03 0.11936E-01 -0.14106E-02 5495 0.256E-01 0.202E-01 RMM: 4 -0.313782497032E+03 0.30140E-03 -0.11417E-03 4791 0.699E-02 0.113E-01 RMM: 5 -0.313782448971E+03 0.48061E-04 -0.16757E-04 3895 0.336E-02 0.100E-01 RMM: 6 -0.313782391492E+03 0.57479E-04 -0.60226E-05 3318 0.218E-02 0.595E-02 RMM: 7 -0.313782448000E+03 -0.56508E-04 -0.85601E-05 3743 0.251E-02 0.110E-01 RMM: 8 -0.313782366717E+03 0.81283E-04 -0.51374E-05 3243 0.207E-02 0.306E-02 RMM: 9 -0.313782362641E+03 0.40759E-05 -0.12256E-05 2489 0.105E-02 4877 T= 6056. E= 0.67428640E+03 F= 0.62418560E+03 E0= 0.65202842E+03 EK= 0.50101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313822203177E+03 -0.39836E-01 -0.20430E-01 8124 0.238E+01 0.254E-01 RMM: 2 -0.313845625378E+03 -0.23422E-01 -0.13115E-01 4790 0.846E-01 0.131E+00 RMM: 3 -0.313833155539E+03 0.12470E-01 -0.14996E-02 5506 0.262E-01 0.195E-01 RMM: 4 -0.313832927050E+03 0.22849E-03 -0.13263E-03 4839 0.796E-02 0.146E-01 RMM: 5 -0.313832834011E+03 0.93040E-04 -0.19228E-04 3892 0.335E-02 0.105E-01 RMM: 6 -0.313832759732E+03 0.74279E-04 -0.49149E-05 3173 0.208E-02 0.316E-02 RMM: 7 -0.313832769055E+03 -0.93237E-05 -0.25077E-05 2567 0.153E-02 4878 T= 5904. E= 0.67302795E+03 F= 0.62418390E+03 E0= 0.65200724E+03 EK= 0.48844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313827826907E+03 0.49328E-02 -0.19603E-01 8232 0.237E+01 0.177E-01 RMM: 2 -0.313842199920E+03 -0.14373E-01 -0.11597E-01 4938 0.774E-01 0.740E-01 RMM: 3 -0.313837814117E+03 0.43858E-02 -0.12231E-02 5825 0.214E-01 0.143E-01 RMM: 4 -0.313837623845E+03 0.19027E-03 -0.68530E-04 4674 0.609E-02 0.135E-01 RMM: 5 -0.313837507513E+03 0.11633E-03 -0.12728E-04 3821 0.300E-02 0.706E-02 RMM: 6 -0.313837489688E+03 0.17825E-04 -0.40576E-05 3032 0.186E-02 4879 T= 5918. E= 0.67319325E+03 F= 0.62423487E+03 E0= 0.65203851E+03 EK= 0.48958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313778261113E+03 0.59246E-01 -0.19908E-01 8628 0.239E+01 0.329E-01 RMM: 2 -0.313807414139E+03 -0.29153E-01 -0.12325E-01 4975 0.812E-01 0.166E+00 RMM: 3 -0.313787692784E+03 0.19721E-01 -0.15899E-02 5391 0.292E-01 0.250E-01 RMM: 4 -0.313787292308E+03 0.40048E-03 -0.16435E-03 4829 0.806E-02 0.131E-01 RMM: 5 -0.313787227965E+03 0.64344E-04 -0.21377E-04 3907 0.357E-02 0.113E-01 RMM: 6 -0.313787145349E+03 0.82615E-04 -0.70732E-05 3436 0.242E-02 0.490E-02 RMM: 7 -0.313787164763E+03 -0.19413E-04 -0.38520E-05 2960 0.183E-02 4880 T= 6093. E= 0.67475579E+03 F= 0.62434703E+03 E0= 0.65213188E+03 EK= 0.50409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313629534447E+03 0.15761E+00 -0.21474E-01 8724 0.244E+01 0.311E-01 RMM: 2 -0.313656157692E+03 -0.26623E-01 -0.13402E-01 4967 0.850E-01 0.148E+00 RMM: 3 -0.313640405626E+03 0.15752E-01 -0.16332E-02 5425 0.289E-01 0.314E-01 RMM: 4 -0.313639711402E+03 0.69422E-03 -0.18091E-03 4902 0.902E-02 0.129E-01 RMM: 5 -0.313639695391E+03 0.16011E-04 -0.27041E-04 3893 0.415E-02 0.130E-01 RMM: 6 -0.313639574919E+03 0.12047E-03 -0.76971E-05 3514 0.250E-02 0.352E-02 RMM: 7 -0.313639580190E+03 -0.52706E-05 -0.22046E-05 2559 0.139E-02 4881 T= 6380. E= 0.67734133E+03 F= 0.62456161E+03 E0= 0.65232851E+03 EK= 0.52780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313328395925E+03 0.31118E+00 -0.23372E-01 8616 0.250E+01 0.272E-01 RMM: 2 -0.313350024998E+03 -0.21629E-01 -0.14673E-01 5067 0.868E-01 0.115E+00 RMM: 3 -0.313340250439E+03 0.97746E-02 -0.15624E-02 5593 0.261E-01 0.175E-01 RMM: 4 -0.313340074518E+03 0.17592E-03 -0.12331E-03 4773 0.745E-02 0.174E-01 RMM: 5 -0.313339894400E+03 0.18012E-03 -0.19715E-04 3890 0.343E-02 0.102E-01 RMM: 6 -0.313339827018E+03 0.67382E-04 -0.68427E-05 3423 0.235E-02 0.489E-02 RMM: 7 -0.313339849712E+03 -0.22695E-04 -0.75398E-05 3702 0.227E-02 0.882E-02 RMM: 8 -0.313339798939E+03 0.50774E-04 -0.37804E-05 2836 0.177E-02 0.286E-02 RMM: 9 -0.313339799990E+03 -0.10509E-05 -0.16415E-05 2497 0.120E-02 4882 T= 6684. E= 0.68022837E+03 F= 0.62493281E+03 E0= 0.65268446E+03 EK= 0.55296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312835778336E+03 0.50402E+00 -0.24915E-01 8640 0.254E+01 0.226E-01 RMM: 2 -0.312854227888E+03 -0.18450E-01 -0.16477E-01 5055 0.913E-01 0.755E-01 RMM: 3 -0.312849723330E+03 0.45046E-02 -0.16667E-02 6092 0.231E-01 0.139E-01 RMM: 4 -0.312849556821E+03 0.16651E-03 -0.90017E-04 4735 0.718E-02 0.224E-01 RMM: 5 -0.312849222101E+03 0.33472E-03 -0.21289E-04 3901 0.390E-02 0.725E-02 RMM: 6 -0.312849191176E+03 0.30926E-04 -0.46077E-05 3149 0.199E-02 0.415E-02 RMM: 7 -0.312849193935E+03 -0.27593E-05 -0.39596E-05 2728 0.182E-02 4883 T= 6891. E= 0.68250227E+03 F= 0.62549912E+03 E0= 0.65323747E+03 EK= 0.57003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312161001869E+03 0.68819E+00 -0.26431E-01 8364 0.256E+01 0.256E-01 RMM: 2 -0.312184401091E+03 -0.23399E-01 -0.18815E-01 5049 0.990E-01 0.100E+00 RMM: 3 -0.312176918216E+03 0.74829E-02 -0.19737E-02 5965 0.262E-01 0.192E-01 RMM: 4 -0.312176455952E+03 0.46226E-03 -0.11299E-03 4843 0.766E-02 0.162E-01 RMM: 5 -0.312176295062E+03 0.16089E-03 -0.19048E-04 3904 0.343E-02 0.864E-02 RMM: 6 -0.312176258234E+03 0.36829E-04 -0.57767E-05 3325 0.216E-02 0.563E-02 RMM: 7 -0.312176282318E+03 -0.24085E-04 -0.78077E-05 3765 0.236E-02 0.892E-02 RMM: 8 -0.312176230613E+03 0.51705E-04 -0.30937E-05 2840 0.167E-02 0.241E-02 RMM: 9 -0.312176231502E+03 -0.88878E-06 -0.11697E-05 2478 0.100E-02 4884 T= 6914. E= 0.68344845E+03 F= 0.62625251E+03 E0= 0.65397898E+03 EK= 0.57196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311377615848E+03 0.79861E+00 -0.25895E-01 8196 0.253E+01 0.215E-01 RMM: 2 -0.311397719747E+03 -0.20104E-01 -0.18682E-01 4997 0.973E-01 0.697E-01 RMM: 3 -0.311393660324E+03 0.40594E-02 -0.18912E-02 6161 0.245E-01 0.138E-01 RMM: 4 -0.311393378690E+03 0.28163E-03 -0.89160E-04 4768 0.734E-02 0.204E-01 RMM: 5 -0.311393095173E+03 0.28352E-03 -0.20083E-04 3894 0.380E-02 0.741E-02 RMM: 6 -0.311393069412E+03 0.25761E-04 -0.53961E-05 3253 0.211E-02 0.540E-02 RMM: 7 -0.311393074329E+03 -0.49169E-05 -0.62580E-05 3491 0.216E-02 4885 T= 6750. E= 0.68296125E+03 F= 0.62712175E+03 E0= 0.65483904E+03 EK= 0.55840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310610235871E+03 0.78283E+00 -0.24253E-01 8364 0.248E+01 0.226E-01 RMM: 2 -0.310631440181E+03 -0.21204E-01 -0.18816E-01 4955 0.994E-01 0.795E-01 RMM: 3 -0.310626670028E+03 0.47702E-02 -0.20959E-02 6148 0.255E-01 0.164E-01 RMM: 4 -0.310626201713E+03 0.46831E-03 -0.94053E-04 4823 0.732E-02 0.166E-01 RMM: 5 -0.310626006032E+03 0.19568E-03 -0.17949E-04 3921 0.362E-02 0.666E-02 RMM: 6 -0.310626027456E+03 -0.21424E-04 -0.81269E-05 3553 0.243E-02 0.935E-02 RMM: 7 -0.310625994014E+03 0.33441E-04 -0.77570E-05 3815 0.238E-02 0.712E-02 RMM: 8 -0.310625961434E+03 0.32581E-04 -0.23844E-05 2615 0.148E-02 0.219E-02 RMM: 9 -0.310625967069E+03 -0.56359E-05 -0.11400E-05 2473 0.101E-02 4886 T= 6480. E= 0.68158677E+03 F= 0.62798159E+03 E0= 0.65569318E+03 EK= 0.53605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310005813943E+03 0.62015E+00 -0.23965E-01 8028 0.242E+01 0.204E-01 RMM: 2 -0.310027317406E+03 -0.21503E-01 -0.20173E-01 4946 0.102E+00 0.668E-01 RMM: 3 -0.310023412703E+03 0.39047E-02 -0.20375E-02 6138 0.250E-01 0.148E-01 RMM: 4 -0.310023058626E+03 0.35408E-03 -0.10023E-03 4838 0.806E-02 0.178E-01 RMM: 5 -0.310022837087E+03 0.22154E-03 -0.19534E-04 3898 0.379E-02 0.717E-02 RMM: 6 -0.310022830757E+03 0.63299E-05 -0.71888E-05 3468 0.239E-02 4887 T= 6222. E= 0.68015522E+03 F= 0.62868474E+03 E0= 0.65639561E+03 EK= 0.51470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309705866382E+03 0.31697E+00 -0.20165E-01 7740 0.237E+01 0.258E-01 RMM: 2 -0.309727407853E+03 -0.21541E-01 -0.15170E-01 5051 0.897E-01 0.110E+00 RMM: 3 -0.309718646235E+03 0.87616E-02 -0.16133E-02 5686 0.256E-01 0.229E-01 RMM: 4 -0.309718226097E+03 0.42014E-03 -0.11636E-03 4807 0.743E-02 0.143E-01 RMM: 5 -0.309718081239E+03 0.14486E-03 -0.20336E-04 3900 0.357E-02 0.902E-02 RMM: 6 -0.309718069350E+03 0.11890E-04 -0.10432E-04 3779 0.275E-02 4888 T= 6076. E= 0.67936118E+03 F= 0.62909683E+03 E0= 0.65681227E+03 EK= 0.50264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309799187228E+03 -0.81106E-01 -0.18468E-01 7836 0.235E+01 0.480E-01 RMM: 2 -0.309861927841E+03 -0.62741E-01 -0.14466E-01 5061 0.940E-01 0.270E+00 RMM: 3 -0.309809434455E+03 0.52493E-01 -0.25765E-02 5369 0.402E-01 0.446E-01 RMM: 4 -0.309807901911E+03 0.15325E-02 -0.32778E-03 5317 0.122E-01 0.117E-01 RMM: 5 -0.309807923242E+03 -0.21331E-04 -0.39479E-04 3963 0.413E-02 0.158E-01 RMM: 6 -0.309807760173E+03 0.16307E-03 -0.11915E-04 3872 0.309E-02 0.548E-02 RMM: 7 -0.309807806922E+03 -0.46750E-04 -0.65686E-05 3449 0.217E-02 0.103E-01 RMM: 8 -0.309807741526E+03 0.65396E-04 -0.44017E-05 3061 0.195E-02 0.384E-02 RMM: 9 -0.309807735251E+03 0.62752E-05 -0.16312E-05 2514 0.120E-02 4889 T= 6096. E= 0.67955285E+03 F= 0.62912106E+03 E0= 0.65684947E+03 EK= 0.50432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310328336943E+03 -0.52060E+00 -0.17905E-01 7608 0.237E+01 0.380E-01 RMM: 2 -0.310371819635E+03 -0.43483E-01 -0.13465E-01 4998 0.875E-01 0.214E+00 RMM: 3 -0.310338783315E+03 0.33036E-01 -0.19705E-02 5365 0.334E-01 0.344E-01 RMM: 4 -0.310338004934E+03 0.77838E-03 -0.25673E-03 5206 0.108E-01 0.152E-01 RMM: 5 -0.310337951086E+03 0.53848E-04 -0.33253E-04 3953 0.410E-02 0.147E-01 RMM: 6 -0.310337800226E+03 0.15086E-03 -0.83432E-05 3595 0.257E-02 0.426E-02 RMM: 7 -0.310337814015E+03 -0.13789E-04 -0.47382E-05 3167 0.193E-02 4890 T= 6283. E= 0.68068637E+03 F= 0.62871032E+03 E0= 0.65646159E+03 EK= 0.51976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311288106594E+03 -0.95031E+00 -0.18378E-01 7800 0.241E+01 0.291E-01 RMM: 2 -0.311308191284E+03 -0.20085E-01 -0.11575E-01 5044 0.840E-01 0.124E+00 RMM: 3 -0.311297262734E+03 0.10929E-01 -0.13156E-02 5448 0.253E-01 0.259E-01 RMM: 4 -0.311296916285E+03 0.34645E-03 -0.14815E-03 4854 0.875E-02 0.173E-01 RMM: 5 -0.311296754064E+03 0.16222E-03 -0.24343E-04 3901 0.364E-02 0.118E-01 RMM: 6 -0.311296672655E+03 0.81409E-04 -0.74640E-05 3509 0.248E-02 0.561E-02 RMM: 7 -0.311296710112E+03 -0.37456E-04 -0.71294E-05 3558 0.225E-02 0.990E-02 RMM: 8 -0.311296645504E+03 0.64608E-04 -0.47800E-05 3183 0.210E-02 0.306E-02 RMM: 9 -0.311296643358E+03 0.21460E-05 -0.13952E-05 2492 0.111E-02 4891 T= 6580. E= 0.68230843E+03 F= 0.62787528E+03 E0= 0.65565932E+03 EK= 0.54433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312600487341E+03 -0.13038E+01 -0.18814E-01 7836 0.247E+01 0.256E-01 RMM: 2 -0.312616318623E+03 -0.15831E-01 -0.12153E-01 4973 0.847E-01 0.920E-01 RMM: 3 -0.312610274609E+03 0.60440E-02 -0.13150E-02 5654 0.228E-01 0.146E-01 RMM: 4 -0.312610482916E+03 -0.20831E-03 -0.10484E-03 4773 0.773E-02 0.274E-01 RMM: 5 -0.312609954630E+03 0.52829E-03 -0.26191E-04 3910 0.417E-02 0.720E-02 RMM: 6 -0.312609929503E+03 0.25127E-04 -0.58432E-05 3328 0.214E-02 0.481E-02 RMM: 7 -0.312609935184E+03 -0.56807E-05 -0.34960E-05 2640 0.170E-02 4892 T= 6878. E= 0.68358951E+03 F= 0.62668992E+03 E0= 0.65451770E+03 EK= 0.56900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314142759641E+03 -0.15328E+01 -0.19033E-01 7872 0.252E+01 0.256E-01 RMM: 2 -0.314154133151E+03 -0.11374E-01 -0.10232E-01 5015 0.803E-01 0.696E-01 RMM: 3 -0.314151022741E+03 0.31104E-02 -0.11459E-02 5748 0.213E-01 0.175E-01 RMM: 4 -0.314151151991E+03 -0.12925E-03 -0.95630E-04 4722 0.741E-02 0.277E-01 RMM: 5 -0.314150630145E+03 0.52185E-03 -0.30053E-04 4020 0.453E-02 0.698E-02 RMM: 6 -0.314150620965E+03 0.91802E-05 -0.59871E-05 3352 0.219E-02 4893 T= 7046. E= 0.68357359E+03 F= 0.62528203E+03 E0= 0.65316353E+03 EK= 0.58292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315757010133E+03 -0.16064E+01 -0.19858E-01 7656 0.254E+01 0.305E-01 RMM: 2 -0.315778534728E+03 -0.21525E-01 -0.11458E-01 4831 0.846E-01 0.134E+00 RMM: 3 -0.315766011589E+03 0.12523E-01 -0.14519E-02 5403 0.272E-01 0.222E-01 RMM: 4 -0.315766065800E+03 -0.54211E-04 -0.15908E-03 5047 0.897E-02 0.257E-01 RMM: 5 -0.315765643764E+03 0.42204E-03 -0.31512E-04 3918 0.440E-02 0.107E-01 RMM: 6 -0.315765576237E+03 0.67527E-04 -0.77699E-05 3518 0.247E-02 0.505E-02 RMM: 7 -0.315765606766E+03 -0.30529E-04 -0.53473E-05 3270 0.207E-02 0.884E-02 RMM: 8 -0.315765555710E+03 0.51056E-04 -0.31681E-05 2828 0.177E-02 0.233E-02 RMM: 9 -0.315765561693E+03 -0.59827E-05 -0.15311E-05 2491 0.113E-02 4894 T= 6997. E= 0.68168781E+03 F= 0.62380648E+03 E0= 0.65174779E+03 EK= 0.57881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317307805349E+03 -0.15422E+01 -0.19699E-01 7812 0.252E+01 0.291E-01 RMM: 2 -0.317327855306E+03 -0.20050E-01 -0.10842E-01 4825 0.824E-01 0.129E+00 RMM: 3 -0.317316245445E+03 0.11610E-01 -0.13413E-02 5440 0.259E-01 0.207E-01 RMM: 4 -0.317316286921E+03 -0.41475E-04 -0.15984E-03 5108 0.928E-02 0.241E-01 RMM: 5 -0.317315941610E+03 0.34531E-03 -0.30712E-04 3913 0.439E-02 0.119E-01 RMM: 6 -0.317315847009E+03 0.94601E-04 -0.71667E-05 3496 0.240E-02 0.397E-02 RMM: 7 -0.317315864978E+03 -0.17970E-04 -0.42636E-05 3036 0.183E-02 4895 T= 6740. E= 0.67816582E+03 F= 0.62240444E+03 E0= 0.65040789E+03 EK= 0.55761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318697733029E+03 -0.13819E+01 -0.19109E-01 7692 0.247E+01 0.251E-01 RMM: 2 -0.318710716310E+03 -0.12983E-01 -0.10289E-01 4852 0.788E-01 0.820E-01 RMM: 3 -0.318706067638E+03 0.46487E-02 -0.12105E-02 5693 0.223E-01 0.184E-01 RMM: 4 -0.318706079762E+03 -0.12124E-04 -0.10074E-03 4793 0.771E-02 0.239E-01 RMM: 5 -0.318705715152E+03 0.36461E-03 -0.26865E-04 3936 0.436E-02 0.100E-01 RMM: 6 -0.318705673153E+03 0.42000E-04 -0.82276E-05 3554 0.258E-02 0.672E-02 RMM: 7 -0.318705701851E+03 -0.28699E-04 -0.55836E-05 3295 0.214E-02 0.949E-02 RMM: 8 -0.318705643089E+03 0.58762E-04 -0.34753E-05 2985 0.193E-02 0.217E-02 RMM: 9 -0.318705648221E+03 -0.51322E-05 -0.11117E-05 2477 0.953E-03 4896 T= 6379. E= 0.67394276E+03 F= 0.62117383E+03 E0= 0.64923736E+03 EK= 0.52769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319882936900E+03 -0.11773E+01 -0.18644E-01 7632 0.241E+01 0.252E-01 RMM: 2 -0.319897132732E+03 -0.14196E-01 -0.10927E-01 4778 0.808E-01 0.873E-01 RMM: 3 -0.319891713650E+03 0.54191E-02 -0.12843E-02 5707 0.229E-01 0.171E-01 RMM: 4 -0.319891707972E+03 0.56774E-05 -0.10751E-03 4822 0.795E-02 0.231E-01 RMM: 5 -0.319891394968E+03 0.31300E-03 -0.29372E-04 4029 0.464E-02 0.114E-01 RMM: 6 -0.319891320892E+03 0.74076E-04 -0.94998E-05 3646 0.276E-02 0.558E-02 RMM: 7 -0.319891359291E+03 -0.38399E-04 -0.48533E-05 3185 0.202E-02 0.937E-02 RMM: 8 -0.319891301704E+03 0.57587E-04 -0.28262E-05 2821 0.179E-02 0.190E-02 RMM: 9 -0.319891304578E+03 -0.28733E-05 -0.88464E-06 2468 0.833E-03 4897 T= 6040. E= 0.67012482E+03 F= 0.62015930E+03 E0= 0.64827616E+03 EK= 0.49966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320855792042E+03 -0.96449E+00 -0.18088E-01 7764 0.236E+01 0.240E-01 RMM: 2 -0.320867529546E+03 -0.11738E-01 -0.97404E-02 4854 0.756E-01 0.756E-01 RMM: 3 -0.320863642136E+03 0.38874E-02 -0.11096E-02 5839 0.204E-01 0.170E-01 RMM: 4 -0.320863652792E+03 -0.10656E-04 -0.93798E-04 4744 0.766E-02 0.238E-01 RMM: 5 -0.320863292952E+03 0.35984E-03 -0.30377E-04 4052 0.475E-02 0.101E-01 RMM: 6 -0.320863259765E+03 0.33187E-04 -0.96534E-05 3673 0.276E-02 0.766E-02 RMM: 7 -0.320863274228E+03 -0.14463E-04 -0.52235E-05 3271 0.211E-02 4898 T= 5823. E= 0.66754292E+03 F= 0.61936990E+03 E0= 0.64753048E+03 EK= 0.48173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321614682127E+03 -0.75142E+00 -0.17842E-01 7836 0.234E+01 0.265E-01 RMM: 2 -0.321625804018E+03 -0.11122E-01 -0.89418E-02 4952 0.722E-01 0.786E-01 RMM: 3 -0.321621511218E+03 0.42928E-02 -0.99039E-03 5753 0.200E-01 0.200E-01 RMM: 4 -0.321621541587E+03 -0.30369E-04 -0.10320E-03 4687 0.789E-02 0.257E-01 RMM: 5 -0.321621107979E+03 0.43361E-03 -0.33180E-04 4029 0.483E-02 0.984E-02 RMM: 6 -0.321621099122E+03 0.88573E-05 -0.10592E-04 3738 0.287E-02 4899 T= 5780. E= 0.66662177E+03 F= 0.61880391E+03 E0= 0.64699674E+03 EK= 0.47818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322149761051E+03 -0.52865E+00 -0.18212E-01 7560 0.235E+01 0.331E-01 RMM: 2 -0.322171762474E+03 -0.22001E-01 -0.11685E-01 4842 0.807E-01 0.136E+00 RMM: 3 -0.322158674823E+03 0.13088E-01 -0.15396E-02 5406 0.282E-01 0.242E-01 RMM: 4 -0.322158581948E+03 0.92875E-04 -0.16243E-03 4840 0.843E-02 0.235E-01 RMM: 5 -0.322158316335E+03 0.26561E-03 -0.36185E-04 4158 0.488E-02 0.149E-01 RMM: 6 -0.322158186053E+03 0.13028E-03 -0.13596E-04 3865 0.320E-02 0.639E-02 RMM: 7 -0.322158237986E+03 -0.51933E-04 -0.74073E-05 3541 0.237E-02 0.106E-01 RMM: 8 -0.322158168114E+03 0.69872E-04 -0.38971E-05 3086 0.203E-02 0.367E-02 RMM: 9 -0.322158163314E+03 0.48001E-05 -0.12319E-05 2492 0.104E-02 4900 T= 5918. E= 0.66742382E+03 F= 0.61846470E+03 E0= 0.64667879E+03 EK= 0.48959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322447696342E+03 -0.28953E+00 -0.18149E-01 7728 0.238E+01 0.369E-01 RMM: 2 -0.322473307719E+03 -0.25611E-01 -0.10753E-01 4847 0.800E-01 0.161E+00 RMM: 3 -0.322455437638E+03 0.17870E-01 -0.15552E-02 5384 0.295E-01 0.328E-01 RMM: 4 -0.322454860958E+03 0.57668E-03 -0.21200E-03 5064 0.100E-01 0.208E-01 RMM: 5 -0.322454735130E+03 0.12583E-03 -0.38069E-04 4098 0.496E-02 0.167E-01 RMM: 6 -0.322454547505E+03 0.18763E-03 -0.10861E-04 3778 0.290E-02 0.435E-02 RMM: 7 -0.322454558851E+03 -0.11347E-04 -0.38213E-05 3020 0.171E-02 4901 T= 6202. E= 0.66967606E+03 F= 0.61836889E+03 E0= 0.64659253E+03 EK= 0.51307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322475071336E+03 -0.20524E-01 -0.19198E-01 7680 0.243E+01 0.308E-01 RMM: 2 -0.322493986168E+03 -0.18915E-01 -0.11491E-01 4874 0.799E-01 0.119E+00 RMM: 3 -0.322484006629E+03 0.99795E-02 -0.13415E-02 5551 0.243E-01 0.210E-01 RMM: 4 -0.322484159480E+03 -0.15285E-03 -0.15671E-03 4860 0.912E-02 0.298E-01 RMM: 5 -0.322483686339E+03 0.47314E-03 -0.41189E-04 4243 0.520E-02 0.156E-01 RMM: 6 -0.322483535581E+03 0.15076E-03 -0.12989E-04 3861 0.309E-02 0.582E-02 RMM: 7 -0.322483591374E+03 -0.55793E-04 -0.76995E-05 3566 0.234E-02 0.110E-01 RMM: 8 -0.322483514034E+03 0.77341E-04 -0.44014E-05 3156 0.211E-02 0.330E-02 RMM: 9 -0.322483511040E+03 0.29935E-05 -0.12495E-05 2491 0.103E-02 4902 T= 6551. E= 0.67273724E+03 F= 0.61854096E+03 E0= 0.64676483E+03 EK= 0.54196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322219045452E+03 0.26447E+00 -0.19667E-01 7824 0.248E+01 0.268E-01 RMM: 2 -0.322235665676E+03 -0.16620E-01 -0.13035E-01 4775 0.849E-01 0.916E-01 RMM: 3 -0.322229744528E+03 0.59211E-02 -0.15470E-02 5802 0.237E-01 0.169E-01 RMM: 4 -0.322229921251E+03 -0.17672E-03 -0.12849E-03 4911 0.858E-02 0.302E-01 RMM: 5 -0.322229354614E+03 0.56664E-03 -0.37683E-04 4201 0.507E-02 0.115E-01 RMM: 6 -0.322229277804E+03 0.76810E-04 -0.10169E-04 3685 0.274E-02 0.542E-02 RMM: 7 -0.322229316135E+03 -0.38331E-04 -0.51026E-05 3235 0.198E-02 0.930E-02 RMM: 8 -0.322229259614E+03 0.56521E-04 -0.33298E-05 2883 0.186E-02 0.236E-02 RMM: 9 -0.322229260354E+03 -0.73974E-06 -0.99129E-06 2472 0.891E-03 4903 T= 6848. E= 0.67564356E+03 F= 0.61899608E+03 E0= 0.64721271E+03 EK= 0.56647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321696060061E+03 0.53320E+00 -0.21232E-01 7716 0.250E+01 0.273E-01 RMM: 2 -0.321715042359E+03 -0.18982E-01 -0.14507E-01 4761 0.897E-01 0.985E-01 RMM: 3 -0.321708141023E+03 0.69013E-02 -0.17065E-02 5853 0.246E-01 0.186E-01 RMM: 4 -0.321708109037E+03 0.31986E-04 -0.14001E-03 5003 0.908E-02 0.271E-01 RMM: 5 -0.321707709879E+03 0.39916E-03 -0.35521E-04 4042 0.491E-02 0.143E-01 RMM: 6 -0.321707581141E+03 0.12874E-03 -0.11238E-04 3797 0.293E-02 0.547E-02 RMM: 7 -0.321707627932E+03 -0.46791E-04 -0.72093E-05 3513 0.229E-02 0.102E-01 RMM: 8 -0.321707560866E+03 0.67066E-04 -0.38570E-05 3065 0.200E-02 0.272E-02 RMM: 9 -0.321707560035E+03 0.83075E-06 -0.10228E-05 2482 0.920E-03 4904 T= 6975. E= 0.67741800E+03 F= 0.61971969E+03 E0= 0.64792438E+03 EK= 0.57698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320967504104E+03 0.74006E+00 -0.20655E-01 7716 0.249E+01 0.248E-01 RMM: 2 -0.320984865509E+03 -0.17361E-01 -0.14160E-01 4806 0.867E-01 0.861E-01 RMM: 3 -0.320979326775E+03 0.55387E-02 -0.15934E-02 5847 0.236E-01 0.167E-01 RMM: 4 -0.320979345026E+03 -0.18251E-04 -0.11963E-03 4925 0.850E-02 0.263E-01 RMM: 5 -0.320978900898E+03 0.44413E-03 -0.34250E-04 4105 0.485E-02 0.106E-01 RMM: 6 -0.320978863068E+03 0.37830E-04 -0.11471E-04 3817 0.292E-02 0.794E-02 RMM: 7 -0.320978891933E+03 -0.28864E-04 -0.59298E-05 3388 0.216E-02 0.103E-01 RMM: 8 -0.320978822123E+03 0.69809E-04 -0.34725E-05 3022 0.189E-02 0.222E-02 RMM: 9 -0.320978824986E+03 -0.28624E-05 -0.90348E-06 2475 0.844E-03 4905 T= 6881. E= 0.67758048E+03 F= 0.62065381E+03 E0= 0.64884486E+03 EK= 0.56927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320127698748E+03 0.85112E+00 -0.19953E-01 7716 0.244E+01 0.236E-01 RMM: 2 -0.320142957681E+03 -0.15259E-01 -0.12895E-01 4882 0.819E-01 0.767E-01 RMM: 3 -0.320138509717E+03 0.44480E-02 -0.14364E-02 5922 0.221E-01 0.174E-01 RMM: 4 -0.320138392117E+03 0.11760E-03 -0.10327E-03 4809 0.801E-02 0.230E-01 RMM: 5 -0.320138107019E+03 0.28510E-03 -0.34059E-04 4245 0.506E-02 0.129E-01 RMM: 6 -0.320138033109E+03 0.73910E-04 -0.12845E-04 3875 0.309E-02 0.794E-02 RMM: 7 -0.320138061754E+03 -0.28645E-04 -0.66804E-05 3474 0.235E-02 0.102E-01 RMM: 8 -0.320137994014E+03 0.67740E-04 -0.33978E-05 3030 0.188E-02 0.226E-02 RMM: 9 -0.320137998275E+03 -0.42608E-05 -0.99485E-06 2478 0.892E-03 4906 T= 6616. E= 0.67643918E+03 F= 0.62170623E+03 E0= 0.64988380E+03 EK= 0.54733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319278964292E+03 0.85903E+00 -0.18816E-01 7968 0.238E+01 0.237E-01 RMM: 2 -0.319293971966E+03 -0.15008E-01 -0.12708E-01 4893 0.821E-01 0.763E-01 RMM: 3 -0.319289541711E+03 0.44303E-02 -0.13892E-02 5887 0.221E-01 0.177E-01 RMM: 4 -0.319289432658E+03 0.10905E-03 -0.99044E-04 4806 0.786E-02 0.227E-01 RMM: 5 -0.319289085161E+03 0.34750E-03 -0.38484E-04 4443 0.540E-02 0.932E-02 RMM: 6 -0.319289130384E+03 -0.45224E-04 -0.15317E-04 3878 0.326E-02 0.123E-01 RMM: 7 -0.319289088580E+03 0.41804E-04 -0.65027E-05 3469 0.242E-02 0.955E-02 RMM: 8 -0.319289030619E+03 0.57961E-04 -0.29063E-05 2930 0.169E-02 0.244E-02 RMM: 9 -0.319289035993E+03 -0.53741E-05 -0.10636E-05 2477 0.935E-03 4907 T= 6296. E= 0.67485598E+03 F= 0.62277490E+03 E0= 0.65094073E+03 EK= 0.52081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318506252019E+03 0.78278E+00 -0.17273E-01 7908 0.232E+01 0.243E-01 RMM: 2 -0.318519291250E+03 -0.13039E-01 -0.10770E-01 4961 0.757E-01 0.773E-01 RMM: 3 -0.318514921261E+03 0.43700E-02 -0.11570E-02 5892 0.206E-01 0.178E-01 RMM: 4 -0.318514858841E+03 0.62420E-04 -0.95899E-04 4701 0.776E-02 0.234E-01 RMM: 5 -0.318514541366E+03 0.31747E-03 -0.39815E-04 4466 0.551E-02 0.122E-01 RMM: 6 -0.318514517835E+03 0.23531E-04 -0.15764E-04 3879 0.334E-02 0.107E-01 RMM: 7 -0.318514519063E+03 -0.12273E-05 -0.76331E-05 3601 0.259E-02 4908 T= 6040. E= 0.67374490E+03 F= 0.62377760E+03 E0= 0.65193349E+03 EK= 0.49967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317848697193E+03 0.66582E+00 -0.16893E-01 8040 0.229E+01 0.273E-01 RMM: 2 -0.317859401556E+03 -0.10704E-01 -0.97155E-02 5094 0.713E-01 0.678E-01 RMM: 3 -0.317856022885E+03 0.33787E-02 -0.97963E-03 5867 0.194E-01 0.206E-01 RMM: 4 -0.317856243334E+03 -0.22045E-03 -0.11003E-03 4702 0.835E-02 0.314E-01 RMM: 5 -0.317855568546E+03 0.67479E-03 -0.50114E-04 4532 0.595E-02 0.912E-02 RMM: 6 -0.317855659928E+03 -0.91382E-04 -0.17965E-04 3880 0.351E-02 0.145E-01 RMM: 7 -0.317855577902E+03 0.82026E-04 -0.75454E-05 3560 0.263E-02 0.963E-02 RMM: 8 -0.317855520083E+03 0.57820E-04 -0.34950E-05 3033 0.179E-02 0.255E-02 RMM: 9 -0.317855538690E+03 -0.18607E-04 -0.14749E-05 2514 0.109E-02 4909 T= 5931. E= 0.67373405E+03 F= 0.62467178E+03 E0= 0.65281951E+03 EK= 0.49062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317301190262E+03 0.55433E+00 -0.17661E-01 8184 0.230E+01 0.243E-01 RMM: 2 -0.317314892254E+03 -0.13702E-01 -0.11568E-01 4887 0.783E-01 0.768E-01 RMM: 3 -0.317310415475E+03 0.44768E-02 -0.12597E-02 5897 0.215E-01 0.158E-01 RMM: 4 -0.317310497223E+03 -0.81748E-04 -0.98365E-04 4715 0.766E-02 0.266E-01 RMM: 5 -0.317310064112E+03 0.43311E-03 -0.32510E-04 4168 0.484E-02 0.109E-01 RMM: 6 -0.317310011179E+03 0.52933E-04 -0.11700E-04 3820 0.298E-02 0.655E-02 RMM: 7 -0.317310040487E+03 -0.29308E-04 -0.40863E-05 3088 0.191E-02 0.919E-02 RMM: 8 -0.317309983530E+03 0.56957E-04 -0.25673E-05 2755 0.170E-02 0.174E-02 RMM: 9 -0.317309984527E+03 -0.99725E-06 -0.60880E-06 2456 0.701E-03 4910 T= 5998. E= 0.67507786E+03 F= 0.62545671E+03 E0= 0.65359772E+03 EK= 0.49621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316835587385E+03 0.47440E+00 -0.17755E-01 8652 0.233E+01 0.286E-01 RMM: 2 -0.316846320660E+03 -0.10733E-01 -0.10135E-01 5117 0.722E-01 0.662E-01 RMM: 3 -0.316843118598E+03 0.32021E-02 -0.10186E-02 5882 0.193E-01 0.207E-01 RMM: 4 -0.316843433890E+03 -0.31529E-03 -0.12178E-03 4741 0.874E-02 0.342E-01 RMM: 5 -0.316842627668E+03 0.80622E-03 -0.48825E-04 4326 0.570E-02 0.888E-02 RMM: 6 -0.316842632744E+03 -0.50766E-05 -0.12436E-04 3865 0.295E-02 4911 T= 6225. E= 0.67765846E+03 F= 0.62616447E+03 E0= 0.65429889E+03 EK= 0.51494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316389263124E+03 0.45336E+00 -0.19244E-01 8616 0.239E+01 0.413E-01 RMM: 2 -0.316419563072E+03 -0.30300E-01 -0.12054E-01 5120 0.808E-01 0.178E+00 RMM: 3 -0.316397483917E+03 0.22079E-01 -0.16750E-02 5405 0.303E-01 0.327E-01 RMM: 4 -0.316397189544E+03 0.29437E-03 -0.23668E-03 5050 0.106E-01 0.272E-01 RMM: 5 -0.316396889336E+03 0.30021E-03 -0.48221E-04 4070 0.511E-02 0.201E-01 RMM: 6 -0.316396649076E+03 0.24026E-03 -0.21030E-04 3890 0.399E-02 0.847E-02 RMM: 7 -0.316396706008E+03 -0.56932E-04 -0.11654E-04 3857 0.286E-02 0.123E-01 RMM: 8 -0.316396623543E+03 0.82465E-04 -0.58850E-05 3405 0.229E-02 0.490E-02 RMM: 9 -0.316396613351E+03 0.10192E-04 -0.16704E-05 2544 0.123E-02 4912 T= 6542. E= 0.68097078E+03 F= 0.62684958E+03 E0= 0.65497754E+03 EK= 0.54121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315913258647E+03 0.48336E+00 -0.20354E-01 8808 0.246E+01 0.392E-01 RMM: 2 -0.315947881900E+03 -0.34623E-01 -0.13117E-01 5116 0.835E-01 0.191E+00 RMM: 3 -0.315922368484E+03 0.25513E-01 -0.17018E-02 5447 0.301E-01 0.307E-01 RMM: 4 -0.315922096272E+03 0.27221E-03 -0.25478E-03 5169 0.113E-01 0.278E-01 RMM: 5 -0.315921861530E+03 0.23474E-03 -0.52018E-04 4435 0.576E-02 0.220E-01 RMM: 6 -0.315921533837E+03 0.32769E-03 -0.17012E-04 3876 0.345E-02 0.464E-02 RMM: 7 -0.315921570098E+03 -0.36262E-04 -0.74472E-05 3529 0.224E-02 0.911E-02 RMM: 8 -0.315921516438E+03 0.53660E-04 -0.45394E-05 3153 0.211E-02 0.235E-02 RMM: 9 -0.315921518763E+03 -0.23250E-05 -0.10765E-05 2483 0.943E-03 4913 T= 6840. E= 0.68414853E+03 F= 0.62756191E+03 E0= 0.65568257E+03 EK= 0.56587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315390317410E+03 0.53120E+00 -0.20844E-01 8592 0.250E+01 0.322E-01 RMM: 2 -0.315409509638E+03 -0.19192E-01 -0.13666E-01 5129 0.835E-01 0.111E+00 RMM: 3 -0.315400613510E+03 0.88961E-02 -0.13933E-02 5656 0.244E-01 0.242E-01 RMM: 4 -0.315400758575E+03 -0.14506E-03 -0.16893E-03 4889 0.959E-02 0.318E-01 RMM: 5 -0.315400125071E+03 0.63350E-03 -0.43971E-04 4163 0.516E-02 0.138E-01 RMM: 6 -0.315400035163E+03 0.89908E-04 -0.13857E-04 3873 0.312E-02 0.835E-02 RMM: 7 -0.315400080397E+03 -0.45234E-04 -0.10142E-04 3827 0.264E-02 0.118E-01 RMM: 8 -0.315399987294E+03 0.93102E-04 -0.57073E-05 3373 0.228E-02 0.282E-02 RMM: 9 -0.315399989986E+03 -0.26914E-05 -0.13986E-05 2508 0.108E-02 4914 T= 6999. E= 0.68622013E+03 F= 0.62832023E+03 E0= 0.65643291E+03 EK= 0.57900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314854829773E+03 0.54516E+00 -0.21008E-01 8616 0.250E+01 0.291E-01 RMM: 2 -0.314871422509E+03 -0.16593E-01 -0.13813E-01 5172 0.835E-01 0.884E-01 RMM: 3 -0.314865621651E+03 0.58009E-02 -0.13532E-02 5904 0.221E-01 0.217E-01 RMM: 4 -0.314865641161E+03 -0.19510E-04 -0.13817E-03 4855 0.908E-02 0.296E-01 RMM: 5 -0.314865069861E+03 0.57130E-03 -0.45332E-04 4322 0.552E-02 0.115E-01 RMM: 6 -0.314865038742E+03 0.31119E-04 -0.13666E-04 3877 0.307E-02 0.972E-02 RMM: 7 -0.314865067931E+03 -0.29189E-04 -0.86068E-05 3670 0.248E-02 0.119E-01 RMM: 8 -0.314864977214E+03 0.90717E-04 -0.47700E-05 3245 0.211E-02 0.236E-02 RMM: 9 -0.314864986624E+03 -0.94099E-05 -0.12550E-05 2504 0.981E-03 4915 T= 6951. E= 0.68659494E+03 F= 0.62909446E+03 E0= 0.65719962E+03 EK= 0.57500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314383158820E+03 0.48182E+00 -0.20968E-01 8472 0.248E+01 0.267E-01 RMM: 2 -0.314398481716E+03 -0.15323E-01 -0.13921E-01 5155 0.836E-01 0.727E-01 RMM: 3 -0.314394259814E+03 0.42219E-02 -0.13322E-02 6011 0.216E-01 0.196E-01 RMM: 4 -0.314394238019E+03 0.21794E-04 -0.11676E-03 4830 0.849E-02 0.279E-01 RMM: 5 -0.314393743531E+03 0.49449E-03 -0.44019E-04 4411 0.559E-02 0.116E-01 RMM: 6 -0.314393743725E+03 -0.19435E-06 -0.17391E-04 3884 0.346E-02 4916 T= 6723. E= 0.68542522E+03 F= 0.62981076E+03 E0= 0.65791001E+03 EK= 0.55614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314067794762E+03 0.32595E+00 -0.20728E-01 7980 0.242E+01 0.398E-01 RMM: 2 -0.314102799940E+03 -0.35005E-01 -0.14105E-01 5055 0.866E-01 0.186E+00 RMM: 3 -0.314078096752E+03 0.24703E-01 -0.18345E-02 5402 0.314E-01 0.331E-01 RMM: 4 -0.314077651101E+03 0.44565E-03 -0.23114E-03 5156 0.104E-01 0.252E-01 RMM: 5 -0.314077531767E+03 0.11933E-03 -0.71804E-04 4608 0.705E-02 0.238E-01 RMM: 6 -0.314077204073E+03 0.32769E-03 -0.31130E-04 3891 0.461E-02 0.103E-01 RMM: 7 -0.314077327301E+03 -0.12323E-03 -0.19842E-04 3891 0.380E-02 0.167E-01 RMM: 8 -0.314077153048E+03 0.17425E-03 -0.10735E-04 3756 0.308E-02 0.528E-02 RMM: 9 -0.314077146366E+03 0.66814E-05 -0.22732E-05 2720 0.139E-02 4917 T= 6419. E= 0.68348031E+03 F= 0.63038094E+03 E0= 0.65847997E+03 EK= 0.53099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313976988594E+03 0.10016E+00 -0.18649E-01 8064 0.237E+01 0.385E-01 RMM: 2 -0.314014185381E+03 -0.37197E-01 -0.12454E-01 4984 0.818E-01 0.201E+00 RMM: 3 -0.313985710086E+03 0.28475E-01 -0.17321E-02 5373 0.314E-01 0.318E-01 RMM: 4 -0.313985240512E+03 0.46957E-03 -0.23789E-03 5182 0.106E-01 0.222E-01 RMM: 5 -0.313985185925E+03 0.54586E-04 -0.51249E-04 4509 0.575E-02 0.222E-01 RMM: 6 -0.313984865412E+03 0.32051E-03 -0.22402E-04 3878 0.402E-02 0.655E-02 RMM: 7 -0.313984934584E+03 -0.69171E-04 -0.10657E-04 3779 0.275E-02 0.120E-01 RMM: 8 -0.313984842614E+03 0.91969E-04 -0.46335E-05 3235 0.212E-02 0.332E-02 RMM: 9 -0.313984838060E+03 0.45540E-05 -0.95915E-06 2491 0.896E-03 4918 T= 6158. E= 0.68167557E+03 F= 0.63073647E+03 E0= 0.65884087E+03 EK= 0.50939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314134273978E+03 -0.14943E+00 -0.18549E-01 7944 0.234E+01 0.349E-01 RMM: 2 -0.314156392821E+03 -0.22119E-01 -0.11405E-01 4990 0.784E-01 0.141E+00 RMM: 3 -0.314142422710E+03 0.13970E-01 -0.13368E-02 5486 0.253E-01 0.245E-01 RMM: 4 -0.314142578350E+03 -0.15564E-03 -0.18952E-03 5016 0.101E-01 0.323E-01 RMM: 5 -0.314142054655E+03 0.52370E-03 -0.61890E-04 4598 0.664E-02 0.187E-01 RMM: 6 -0.314141852342E+03 0.20231E-03 -0.19899E-04 3881 0.364E-02 0.809E-02 RMM: 7 -0.314141895976E+03 -0.43634E-04 -0.96878E-05 3793 0.276E-02 0.115E-01 RMM: 8 -0.314141810261E+03 0.85716E-04 -0.45007E-05 3214 0.206E-02 0.304E-02 RMM: 9 -0.314141816456E+03 -0.61955E-05 -0.14536E-05 2513 0.109E-02 4919 T= 6024. E= 0.68068823E+03 F= 0.63085150E+03 E0= 0.65896874E+03 EK= 0.49837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314525157541E+03 -0.38335E+00 -0.18565E-01 8232 0.233E+01 0.312E-01 RMM: 2 -0.314539015358E+03 -0.13858E-01 -0.11068E-01 4970 0.765E-01 0.900E-01 RMM: 3 -0.314533181488E+03 0.58339E-02 -0.11865E-02 5663 0.224E-01 0.209E-01 RMM: 4 -0.314533561964E+03 -0.38048E-03 -0.14983E-03 4867 0.927E-02 0.347E-01 RMM: 5 -0.314532803032E+03 0.75893E-03 -0.51907E-04 4546 0.599E-02 0.136E-01 RMM: 6 -0.314532712433E+03 0.90599E-04 -0.15547E-04 3877 0.327E-02 0.778E-02 RMM: 7 -0.314532742398E+03 -0.29965E-04 -0.61081E-05 3415 0.224E-02 0.103E-01 RMM: 8 -0.314532675578E+03 0.66820E-04 -0.32253E-05 2980 0.180E-02 0.273E-02 RMM: 9 -0.314532680420E+03 -0.48424E-05 -0.12533E-05 2484 0.998E-03 4920 T= 6054. E= 0.68082219E+03 F= 0.63073895E+03 E0= 0.65887665E+03 EK= 0.50083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315101615967E+03 -0.56894E+00 -0.18904E-01 8136 0.236E+01 0.332E-01 RMM: 2 -0.315116947283E+03 -0.15331E-01 -0.11635E-01 5020 0.781E-01 0.990E-01 RMM: 3 -0.315110024639E+03 0.69226E-02 -0.12336E-02 5745 0.220E-01 0.215E-01 RMM: 4 -0.315110614221E+03 -0.58958E-03 -0.17364E-03 4947 0.102E-01 0.404E-01 RMM: 5 -0.315109567785E+03 0.10464E-02 -0.61873E-04 4559 0.652E-02 0.121E-01 RMM: 6 -0.315109501561E+03 0.66224E-04 -0.12973E-04 3862 0.291E-02 0.796E-02 RMM: 7 -0.315109520631E+03 -0.19070E-04 -0.70205E-05 3546 0.232E-02 4921 T= 6234. E= 0.68201224E+03 F= 0.63044366E+03 E0= 0.65860931E+03 EK= 0.51569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315798251947E+03 -0.68875E+00 -0.19810E-01 8136 0.240E+01 0.347E-01 RMM: 2 -0.315813039458E+03 -0.14788E-01 -0.12989E-01 4970 0.830E-01 0.861E-01 RMM: 3 -0.315807981451E+03 0.50580E-02 -0.14372E-02 5798 0.234E-01 0.245E-01 RMM: 4 -0.315808570380E+03 -0.58893E-03 -0.17449E-03 5000 0.102E-01 0.424E-01 RMM: 5 -0.315807354588E+03 0.12158E-02 -0.64134E-04 4585 0.650E-02 0.115E-01 RMM: 6 -0.315807322802E+03 0.31786E-04 -0.15927E-04 3884 0.325E-02 0.986E-02 RMM: 7 -0.315807325205E+03 -0.24030E-05 -0.76406E-05 3616 0.237E-02 4922 T= 6504. E= 0.68383286E+03 F= 0.63002820E+03 E0= 0.65822779E+03 EK= 0.53805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316541167412E+03 -0.73384E+00 -0.21203E-01 8088 0.244E+01 0.356E-01 RMM: 2 -0.316563159781E+03 -0.21992E-01 -0.17101E-01 4838 0.953E-01 0.111E+00 RMM: 3 -0.316554656364E+03 0.85034E-02 -0.19806E-02 5842 0.266E-01 0.245E-01 RMM: 4 -0.316555087178E+03 -0.43081E-03 -0.21629E-03 5183 0.112E-01 0.415E-01 RMM: 5 -0.316553986109E+03 0.11011E-02 -0.66591E-04 4567 0.662E-02 0.133E-01 RMM: 6 -0.316553892001E+03 0.94108E-04 -0.15711E-04 3877 0.321E-02 0.720E-02 RMM: 7 -0.316553930195E+03 -0.38194E-04 -0.69697E-05 3510 0.227E-02 0.106E-01 RMM: 8 -0.316553859314E+03 0.70881E-04 -0.39143E-05 3075 0.193E-02 0.308E-02 RMM: 9 -0.316553864461E+03 -0.51470E-05 -0.15840E-05 2515 0.113E-02 4923 T= 6768. E= 0.68554958E+03 F= 0.62956404E+03 E0= 0.65780208E+03 EK= 0.55986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317266896559E+03 -0.71304E+00 -0.23253E-01 7848 0.248E+01 0.333E-01 RMM: 2 -0.317287506943E+03 -0.20610E-01 -0.19315E-01 4809 0.997E-01 0.813E-01 RMM: 3 -0.317282424251E+03 0.50827E-02 -0.21335E-02 5937 0.267E-01 0.234E-01 RMM: 4 -0.317282810092E+03 -0.38584E-03 -0.17914E-03 5157 0.104E-01 0.415E-01 RMM: 5 -0.317281661449E+03 0.11486E-02 -0.59236E-04 4583 0.625E-02 0.122E-01 RMM: 6 -0.317281583821E+03 0.77628E-04 -0.15759E-04 3890 0.323E-02 0.709E-02 RMM: 7 -0.317281595855E+03 -0.12035E-04 -0.56778E-05 3350 0.208E-02 4924 T= 6916. E= 0.68633772E+03 F= 0.62911999E+03 E0= 0.65739741E+03 EK= 0.57218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317926915378E+03 -0.64533E+00 -0.22677E-01 7836 0.248E+01 0.355E-01 RMM: 2 -0.317946970534E+03 -0.20055E-01 -0.16726E-01 4898 0.929E-01 0.982E-01 RMM: 3 -0.317939914168E+03 0.70564E-02 -0.18495E-02 5904 0.255E-01 0.252E-01 RMM: 4 -0.317940273924E+03 -0.35976E-03 -0.20609E-03 5156 0.112E-01 0.410E-01 RMM: 5 -0.317939152884E+03 0.11210E-02 -0.69477E-04 4572 0.678E-02 0.125E-01 RMM: 6 -0.317939118633E+03 0.34252E-04 -0.17271E-04 3883 0.336E-02 0.108E-01 RMM: 7 -0.317939138882E+03 -0.20250E-04 -0.92285E-05 3703 0.260E-02 0.123E-01 RMM: 8 -0.317939040592E+03 0.98290E-04 -0.55633E-05 3357 0.220E-02 0.290E-02 RMM: 9 -0.317939051904E+03 -0.11311E-04 -0.16874E-05 2529 0.117E-02 4925 T= 6883. E= 0.68569061E+03 F= 0.62875043E+03 E0= 0.65706674E+03 EK= 0.56940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318493633297E+03 -0.55459E+00 -0.22123E-01 8112 0.246E+01 0.312E-01 RMM: 2 -0.318509685448E+03 -0.16052E-01 -0.15045E-01 4962 0.872E-01 0.757E-01 RMM: 3 -0.318505342554E+03 0.43429E-02 -0.16112E-02 5937 0.236E-01 0.226E-01 RMM: 4 -0.318505630266E+03 -0.28771E-03 -0.15631E-03 5015 0.980E-02 0.376E-01 RMM: 5 -0.318504732112E+03 0.89815E-03 -0.58440E-04 4573 0.633E-02 0.140E-01 RMM: 6 -0.318504641396E+03 0.90717E-04 -0.19025E-04 3898 0.361E-02 0.846E-02 RMM: 7 -0.318504662623E+03 -0.21228E-04 -0.64946E-05 3495 0.232E-02 0.102E-01 RMM: 8 -0.318504593256E+03 0.69367E-04 -0.31103E-05 2956 0.175E-02 0.233E-02 RMM: 9 -0.318504598780E+03 -0.55239E-05 -0.10775E-05 2481 0.905E-03 4926 T= 6679. E= 0.68373720E+03 F= 0.62848052E+03 E0= 0.65683039E+03 EK= 0.55257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318974026063E+03 -0.46943E+00 -0.20949E-01 7848 0.241E+01 0.313E-01 RMM: 2 -0.318990023523E+03 -0.15997E-01 -0.14299E-01 5001 0.844E-01 0.793E-01 RMM: 3 -0.318984983322E+03 0.50402E-02 -0.14632E-02 5912 0.225E-01 0.215E-01 RMM: 4 -0.318985313218E+03 -0.32990E-03 -0.16521E-03 5064 0.104E-01 0.379E-01 RMM: 5 -0.318984367814E+03 0.94540E-03 -0.69660E-04 4604 0.710E-02 0.116E-01 RMM: 6 -0.318984389305E+03 -0.21492E-04 -0.19410E-04 3893 0.355E-02 0.132E-01 RMM: 7 -0.318984326752E+03 0.62554E-04 -0.88288E-05 3726 0.280E-02 0.960E-02 RMM: 8 -0.318984267766E+03 0.58985E-04 -0.32664E-05 3021 0.174E-02 0.282E-02 RMM: 9 -0.318984278251E+03 -0.10485E-04 -0.14451E-05 2508 0.107E-02 4927 T= 6390. E= 0.68117072E+03 F= 0.62830708E+03 E0= 0.65668311E+03 EK= 0.52864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319391647429E+03 -0.40738E+00 -0.19200E-01 7968 0.236E+01 0.328E-01 RMM: 2 -0.319407352375E+03 -0.15705E-01 -0.12369E-01 5021 0.796E-01 0.948E-01 RMM: 3 -0.319400688437E+03 0.66639E-02 -0.12884E-02 5772 0.226E-01 0.244E-01 RMM: 4 -0.319400851752E+03 -0.16331E-03 -0.16458E-03 5004 0.101E-01 0.348E-01 RMM: 5 -0.319400115793E+03 0.73596E-03 -0.71623E-04 4602 0.728E-02 0.156E-01 RMM: 6 -0.319400048393E+03 0.67400E-04 -0.25479E-04 3899 0.417E-02 0.122E-01 RMM: 7 -0.319400055002E+03 -0.66084E-05 -0.10222E-04 3820 0.299E-02 4928 T= 6122. E= 0.67885804E+03 F= 0.62820920E+03 E0= 0.65660212E+03 EK= 0.50649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319770433953E+03 -0.37039E+00 -0.18721E-01 7812 0.232E+01 0.348E-01 RMM: 2 -0.319783236638E+03 -0.12803E-01 -0.12505E-01 4965 0.808E-01 0.698E-01 RMM: 3 -0.319779761405E+03 0.34752E-02 -0.13443E-02 5832 0.221E-01 0.281E-01 RMM: 4 -0.319780295128E+03 -0.53372E-03 -0.18123E-03 5089 0.109E-01 0.450E-01 RMM: 5 -0.319778924684E+03 0.13704E-02 -0.91046E-04 4608 0.809E-02 0.106E-01 RMM: 6 -0.319779096037E+03 -0.17135E-03 -0.28674E-04 3893 0.436E-02 0.192E-01 RMM: 7 -0.319778900395E+03 0.19564E-03 -0.12998E-04 3883 0.345E-02 0.960E-02 RMM: 8 -0.319778845340E+03 0.55055E-04 -0.41982E-05 3166 0.187E-02 0.355E-02 RMM: 9 -0.319778869798E+03 -0.24458E-04 -0.23084E-05 2579 0.139E-02 0.621E-02 RMM: 10 -0.319778851964E+03 0.17834E-04 -0.15788E-05 2517 0.126E-02 4929 T= 5962. E= 0.67748219E+03 F= 0.62815866E+03 E0= 0.65655985E+03 EK= 0.49324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320135506889E+03 -0.35664E+00 -0.18022E-01 7764 0.231E+01 0.291E-01 RMM: 2 -0.320148781017E+03 -0.13274E-01 -0.11807E-01 4981 0.774E-01 0.764E-01 RMM: 3 -0.320144539712E+03 0.42413E-02 -0.12876E-02 5822 0.210E-01 0.209E-01 RMM: 4 -0.320144799058E+03 -0.25935E-03 -0.13482E-03 4882 0.920E-02 0.356E-01 RMM: 5 -0.320144023066E+03 0.77599E-03 -0.59051E-04 4595 0.666E-02 0.140E-01 RMM: 6 -0.320143946011E+03 0.77055E-04 -0.21039E-04 3894 0.378E-02 0.966E-02 RMM: 7 -0.320143915168E+03 0.30843E-04 -0.68185E-05 3508 0.257E-02 0.735E-02 RMM: 8 -0.320143881000E+03 0.34168E-04 -0.18348E-05 2607 0.134E-02 0.207E-02 RMM: 9 -0.320143883214E+03 -0.22144E-05 -0.71254E-06 2457 0.731E-03 4930 T= 5955. E= 0.67739663E+03 F= 0.62812887E+03 E0= 0.65653133E+03 EK= 0.49268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320502888282E+03 -0.35901E+00 -0.17153E-01 7920 0.232E+01 0.356E-01 RMM: 2 -0.320511934390E+03 -0.90461E-02 -0.87678E-02 5119 0.680E-01 0.714E-01 RMM: 3 -0.320508601985E+03 0.33324E-02 -0.89866E-03 5661 0.191E-01 0.276E-01 RMM: 4 -0.320509338200E+03 -0.73621E-03 -0.16304E-03 4851 0.100E-01 0.464E-01 RMM: 5 -0.320507924561E+03 0.14136E-02 -0.81824E-04 4606 0.763E-02 0.123E-01 RMM: 6 -0.320507904090E+03 0.20470E-04 -0.21775E-04 3894 0.380E-02 0.116E-01 RMM: 7 -0.320507880643E+03 0.23447E-04 -0.84637E-05 3668 0.271E-02 0.103E-01 RMM: 8 -0.320507811132E+03 0.69510E-04 -0.34874E-05 3048 0.177E-02 0.271E-02 RMM: 9 -0.320507823674E+03 -0.12541E-04 -0.16040E-05 2517 0.113E-02 4931 T= 6106. E= 0.67861603E+03 F= 0.62810280E+03 E0= 0.65650007E+03 EK= 0.50513E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320870947596E+03 -0.36314E+00 -0.17142E-01 7656 0.236E+01 0.322E-01 RMM: 2 -0.320879206821E+03 -0.82592E-02 -0.90195E-02 5014 0.694E-01 0.552E-01 RMM: 3 -0.320877402971E+03 0.18038E-02 -0.95554E-03 5724 0.191E-01 0.281E-01 RMM: 4 -0.320877806025E+03 -0.40305E-03 -0.12940E-03 4808 0.893E-02 0.408E-01 RMM: 5 -0.320876686371E+03 0.11197E-02 -0.64443E-04 4604 0.676E-02 0.100E-01 RMM: 6 -0.320876696738E+03 -0.10366E-04 -0.16683E-04 3880 0.330E-02 4932 T= 6375. E= 0.68081154E+03 F= 0.62807057E+03 E0= 0.65645955E+03 EK= 0.52741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321247211776E+03 -0.37053E+00 -0.18019E-01 7776 0.241E+01 0.460E-01 RMM: 2 -0.321273782025E+03 -0.26570E-01 -0.10430E-01 5009 0.787E-01 0.173E+00 RMM: 3 -0.321253295231E+03 0.20487E-01 -0.15443E-02 5380 0.294E-01 0.315E-01 RMM: 4 -0.321253853406E+03 -0.55817E-03 -0.28733E-03 5297 0.123E-01 0.450E-01 RMM: 5 -0.321252745380E+03 0.11080E-02 -0.88216E-04 4599 0.788E-02 0.217E-01 RMM: 6 -0.321252457327E+03 0.28805E-03 -0.23889E-04 3893 0.404E-02 0.865E-02 RMM: 7 -0.321252535845E+03 -0.78518E-04 -0.15885E-04 3889 0.339E-02 0.138E-01 RMM: 8 -0.321252414968E+03 0.12088E-03 -0.81937E-05 3581 0.267E-02 0.409E-02 RMM: 9 -0.321252414122E+03 0.84593E-06 -0.16769E-05 2546 0.119E-02 4933 T= 6682. E= 0.68330653E+03 F= 0.62802831E+03 E0= 0.65640862E+03 EK= 0.55278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321635236727E+03 -0.38282E+00 -0.18961E-01 7728 0.246E+01 0.378E-01 RMM: 2 -0.321655119824E+03 -0.19883E-01 -0.11610E-01 4874 0.814E-01 0.130E+00 RMM: 3 -0.321643431131E+03 0.11689E-01 -0.15128E-02 5393 0.279E-01 0.320E-01 RMM: 4 -0.321643770533E+03 -0.33940E-03 -0.26114E-03 5280 0.120E-01 0.396E-01 RMM: 5 -0.321642902008E+03 0.86853E-03 -0.70880E-04 4602 0.704E-02 0.193E-01 RMM: 6 -0.321642645367E+03 0.25664E-03 -0.16121E-04 3874 0.335E-02 0.507E-02 RMM: 7 -0.321642688872E+03 -0.43505E-04 -0.72447E-05 3492 0.224E-02 0.100E-01 RMM: 8 -0.321642626430E+03 0.62442E-04 -0.39489E-05 3086 0.198E-02 0.334E-02 RMM: 9 -0.321642621822E+03 0.46085E-05 -0.11004E-05 2484 0.959E-03 4934 T= 6917. E= 0.68518984E+03 F= 0.62796901E+03 E0= 0.65634241E+03 EK= 0.57221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322058325937E+03 -0.41570E+00 -0.19748E-01 7908 0.248E+01 0.403E-01 RMM: 2 -0.322079418020E+03 -0.21092E-01 -0.12843E-01 4846 0.870E-01 0.134E+00 RMM: 3 -0.322067176857E+03 0.12241E-01 -0.15577E-02 5467 0.272E-01 0.267E-01 RMM: 4 -0.322068019954E+03 -0.84310E-03 -0.26230E-03 5271 0.122E-01 0.470E-01 RMM: 5 -0.322066698930E+03 0.13210E-02 -0.84524E-04 4609 0.773E-02 0.176E-01 RMM: 6 -0.322066511961E+03 0.18697E-03 -0.18818E-04 3886 0.350E-02 0.756E-02 RMM: 7 -0.322066568809E+03 -0.56848E-04 -0.11035E-04 3850 0.284E-02 0.121E-01 RMM: 8 -0.322066474822E+03 0.93987E-04 -0.54102E-05 3327 0.221E-02 0.364E-02 RMM: 9 -0.322066473233E+03 0.15887E-05 -0.14017E-05 2509 0.108E-02 4935 T= 6985. E= 0.68566506E+03 F= 0.62787655E+03 E0= 0.65624676E+03 EK= 0.57789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322550140659E+03 -0.48367E+00 -0.20502E-01 7980 0.247E+01 0.362E-01 RMM: 2 -0.322567785007E+03 -0.17644E-01 -0.13831E-01 4838 0.870E-01 0.103E+00 RMM: 3 -0.322560314111E+03 0.74709E-02 -0.15654E-02 5625 0.256E-01 0.259E-01 RMM: 4 -0.322561084670E+03 -0.77056E-03 -0.22543E-03 5234 0.116E-01 0.455E-01 RMM: 5 -0.322559789893E+03 0.12948E-02 -0.82239E-04 4608 0.763E-02 0.153E-01 RMM: 6 -0.322559660592E+03 0.12930E-03 -0.18658E-04 3878 0.351E-02 0.772E-02 RMM: 7 -0.322559718662E+03 -0.58070E-04 -0.87691E-05 3647 0.258E-02 0.121E-01 RMM: 8 -0.322559625864E+03 0.92798E-04 -0.45460E-05 3237 0.208E-02 0.304E-02 RMM: 9 -0.322559630081E+03 -0.42171E-05 -0.13137E-05 2505 0.102E-02 4936 T= 6862. E= 0.68448455E+03 F= 0.62771970E+03 E0= 0.65609174E+03 EK= 0.56765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323158285072E+03 -0.59866E+00 -0.21686E-01 8040 0.244E+01 0.351E-01 RMM: 2 -0.323176350513E+03 -0.18065E-01 -0.15325E-01 4834 0.907E-01 0.942E-01 RMM: 3 -0.323169910255E+03 0.64403E-02 -0.16630E-02 5805 0.253E-01 0.231E-01 RMM: 4 -0.323170582186E+03 -0.67193E-03 -0.21718E-03 5227 0.116E-01 0.443E-01 RMM: 5 -0.323169372699E+03 0.12095E-02 -0.84309E-04 4607 0.788E-02 0.157E-01 RMM: 6 -0.323169252570E+03 0.12013E-03 -0.19669E-04 3885 0.360E-02 0.932E-02 RMM: 7 -0.323169268566E+03 -0.15996E-04 -0.99084E-05 3820 0.294E-02 4937 T= 6605. E= 0.68209429E+03 F= 0.62745566E+03 E0= 0.65583382E+03 EK= 0.54639E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323932133809E+03 -0.76288E+00 -0.20663E-01 8364 0.239E+01 0.383E-01 RMM: 2 -0.323947128551E+03 -0.14995E-01 -0.12431E-01 5017 0.805E-01 0.956E-01 RMM: 3 -0.323940711466E+03 0.64171E-02 -0.12754E-02 5629 0.236E-01 0.296E-01 RMM: 4 -0.323941486794E+03 -0.77533E-03 -0.24443E-03 5222 0.124E-01 0.480E-01 RMM: 5 -0.323940023438E+03 0.14634E-02 -0.11152E-03 4609 0.905E-02 0.151E-01 RMM: 6 -0.323939975856E+03 0.47582E-04 -0.23176E-04 3891 0.391E-02 0.132E-01 RMM: 7 -0.323939917670E+03 0.58187E-04 -0.14283E-04 3884 0.365E-02 0.995E-02 RMM: 8 -0.323939860804E+03 0.56866E-04 -0.46540E-05 3238 0.206E-02 0.396E-02 RMM: 9 -0.323939881874E+03 -0.21070E-04 -0.20644E-05 2564 0.131E-02 0.617E-02 RMM: 10 -0.323939867680E+03 0.14194E-04 -0.17826E-05 2523 0.133E-02 4938 T= 6322. E= 0.67933909E+03 F= 0.62704283E+03 E0= 0.65543008E+03 EK= 0.52296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324889042367E+03 -0.94916E+00 -0.20917E-01 8244 0.235E+01 0.309E-01 RMM: 2 -0.324904122485E+03 -0.15080E-01 -0.14403E-01 4833 0.870E-01 0.727E-01 RMM: 3 -0.324900114969E+03 0.40075E-02 -0.15090E-02 5933 0.238E-01 0.204E-01 RMM: 4 -0.324900620348E+03 -0.50538E-03 -0.16387E-03 5056 0.102E-01 0.403E-01 RMM: 5 -0.324899620577E+03 0.99977E-03 -0.72344E-04 4604 0.735E-02 0.147E-01 RMM: 6 -0.324899532546E+03 0.88031E-04 -0.22872E-04 3879 0.391E-02 0.996E-02 RMM: 7 -0.324899505802E+03 0.26744E-04 -0.87794E-05 3758 0.298E-02 0.803E-02 RMM: 8 -0.324899466493E+03 0.39309E-04 -0.18207E-05 2588 0.136E-02 0.262E-02 RMM: 9 -0.324899469062E+03 -0.25691E-05 -0.88000E-06 2463 0.857E-03 4939 T= 6113. E= 0.67702307E+03 F= 0.62645366E+03 E0= 0.65485321E+03 EK= 0.50569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326039537868E+03 -0.11401E+01 -0.20319E-01 8808 0.233E+01 0.382E-01 RMM: 2 -0.326051581620E+03 -0.12044E-01 -0.11799E-01 5206 0.755E-01 0.766E-01 RMM: 3 -0.326047296221E+03 0.42854E-02 -0.10362E-02 5695 0.208E-01 0.288E-01 RMM: 4 -0.326048451233E+03 -0.11550E-02 -0.22153E-03 5066 0.119E-01 0.535E-01 RMM: 5 -0.326046578045E+03 0.18732E-02 -0.10285E-03 4609 0.861E-02 0.123E-01 RMM: 6 -0.326046564884E+03 0.13161E-04 -0.26391E-04 3910 0.416E-02 0.125E-01 RMM: 7 -0.326046509452E+03 0.55432E-04 -0.10564E-04 3876 0.319E-02 0.890E-02 RMM: 8 -0.326046461924E+03 0.47528E-04 -0.23198E-05 2680 0.150E-02 0.331E-02 RMM: 9 -0.326046478136E+03 -0.16211E-04 -0.20767E-05 2562 0.130E-02 4940 T= 6040. E= 0.67565105E+03 F= 0.62568774E+03 E0= 0.65409977E+03 EK= 0.49963E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327337073376E+03 -0.12906E+01 -0.22201E-01 8460 0.234E+01 0.352E-01 RMM: 2 -0.327351547339E+03 -0.14474E-01 -0.15085E-01 4947 0.870E-01 0.634E-01 RMM: 3 -0.327348428744E+03 0.31186E-02 -0.14553E-02 5921 0.234E-01 0.283E-01 RMM: 4 -0.327349144739E+03 -0.71599E-03 -0.19221E-03 5141 0.111E-01 0.481E-01 RMM: 5 -0.327347640525E+03 0.15042E-02 -0.89280E-04 4610 0.798E-02 0.127E-01 RMM: 6 -0.327347613463E+03 0.27062E-04 -0.22064E-04 3892 0.382E-02 0.116E-01 RMM: 7 -0.327347560258E+03 0.53205E-04 -0.91358E-05 3761 0.295E-02 0.774E-02 RMM: 8 -0.327347526571E+03 0.33687E-04 -0.22966E-05 2762 0.150E-02 0.314E-02 RMM: 9 -0.327347538580E+03 -0.12008E-04 -0.15256E-05 2510 0.110E-02 4941 T= 6116. E= 0.67537152E+03 F= 0.62477470E+03 E0= 0.65319901E+03 EK= 0.50597E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328733281190E+03 -0.13858E+01 -0.22911E-01 8904 0.237E+01 0.383E-01 RMM: 2 -0.328746791298E+03 -0.13510E-01 -0.13444E-01 5189 0.774E-01 0.742E-01 RMM: 3 -0.328742460442E+03 0.43309E-02 -0.11412E-02 5653 0.213E-01 0.311E-01 RMM: 4 -0.328743459963E+03 -0.99952E-03 -0.21644E-03 5070 0.116E-01 0.523E-01 RMM: 5 -0.328741634709E+03 0.18253E-02 -0.97370E-04 4611 0.833E-02 0.113E-01 RMM: 6 -0.328741618526E+03 0.16183E-04 -0.20830E-04 3880 0.365E-02 0.111E-01 RMM: 7 -0.328741593435E+03 0.25091E-04 -0.76504E-05 3634 0.261E-02 0.967E-02 RMM: 8 -0.328741533771E+03 0.59664E-04 -0.29078E-05 2898 0.166E-02 0.293E-02 RMM: 9 -0.328741546848E+03 -0.13077E-04 -0.17799E-05 2528 0.119E-02 4942 T= 6313. E= 0.67599462E+03 F= 0.62377173E+03 E0= 0.65220761E+03 EK= 0.52223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330133781934E+03 -0.13922E+01 -0.26137E-01 8880 0.242E+01 0.386E-01 RMM: 2 -0.330148061657E+03 -0.14280E-01 -0.15394E-01 5172 0.833E-01 0.624E-01 RMM: 3 -0.330144879108E+03 0.31825E-02 -0.12477E-02 5702 0.221E-01 0.352E-01 RMM: 4 -0.330145446664E+03 -0.56756E-03 -0.20075E-03 5033 0.111E-01 0.493E-01 RMM: 5 -0.330143818142E+03 0.16285E-02 -0.93654E-04 4614 0.808E-02 0.107E-01 RMM: 6 -0.330143819051E+03 -0.90876E-06 -0.20573E-04 3888 0.364E-02 0.115E-01 RMM: 7 -0.330143762322E+03 0.56729E-04 -0.70647E-05 3531 0.254E-02 0.740E-02 RMM: 8 -0.330143731334E+03 0.30988E-04 -0.21787E-05 2649 0.141E-02 0.316E-02 RMM: 9 -0.330143744458E+03 -0.13123E-04 -0.16978E-05 2520 0.117E-02 4943 T= 6559. E= 0.67702319E+03 F= 0.62276099E+03 E0= 0.65120717E+03 EK= 0.54262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331448619055E+03 -0.13049E+01 -0.27461E-01 8988 0.246E+01 0.393E-01 RMM: 2 -0.331462773089E+03 -0.14154E-01 -0.14973E-01 5330 0.794E-01 0.661E-01 RMM: 3 -0.331458972879E+03 0.38002E-02 -0.10776E-02 5564 0.216E-01 0.360E-01 RMM: 4 -0.331459575517E+03 -0.60264E-03 -0.20122E-03 5014 0.110E-01 0.493E-01 RMM: 5 -0.331457949629E+03 0.16259E-02 -0.90521E-04 4605 0.796E-02 0.104E-01 RMM: 6 -0.331457951086E+03 -0.14570E-05 -0.16988E-04 3880 0.321E-02 4944 T= 6760. E= 0.67776120E+03 F= 0.62183834E+03 E0= 0.65029393E+03 EK= 0.55923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332590707653E+03 -0.11328E+01 -0.28633E-01 8964 0.248E+01 0.487E-01 RMM: 2 -0.332619114524E+03 -0.28407E-01 -0.16252E-01 5187 0.845E-01 0.159E+00 RMM: 3 -0.332600815117E+03 0.18299E-01 -0.16408E-02 5381 0.292E-01 0.310E-01 RMM: 4 -0.332602322689E+03 -0.15076E-02 -0.32159E-03 5323 0.131E-01 0.579E-01 RMM: 5 -0.332600235795E+03 0.20869E-02 -0.11754E-03 4609 0.909E-02 0.217E-01 RMM: 6 -0.332599988567E+03 0.24723E-03 -0.36270E-04 3957 0.495E-02 0.113E-01 RMM: 7 -0.332600078546E+03 -0.89979E-04 -0.15398E-04 3880 0.340E-02 0.161E-01 RMM: 8 -0.332599909348E+03 0.16920E-03 -0.91753E-05 3686 0.278E-02 0.403E-02 RMM: 9 -0.332599922392E+03 -0.13044E-04 -0.26874E-05 2841 0.148E-02 4945 T= 6829. E= 0.67758057E+03 F= 0.62109005E+03 E0= 0.64955490E+03 EK= 0.56491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333508615855E+03 -0.90871E+00 -0.27670E-01 8820 0.248E+01 0.441E-01 RMM: 2 -0.333536497747E+03 -0.27882E-01 -0.15302E-01 5170 0.813E-01 0.155E+00 RMM: 3 -0.333518346946E+03 0.18151E-01 -0.15601E-02 5367 0.289E-01 0.343E-01 RMM: 4 -0.333518989660E+03 -0.64271E-03 -0.33334E-03 5333 0.136E-01 0.472E-01 RMM: 5 -0.333517746132E+03 0.12435E-02 -0.10478E-03 4613 0.877E-02 0.231E-01 RMM: 6 -0.333517405488E+03 0.34064E-03 -0.25108E-04 3890 0.417E-02 0.696E-02 RMM: 7 -0.333517480772E+03 -0.75284E-04 -0.10619E-04 3774 0.270E-02 0.127E-01 RMM: 8 -0.333517372785E+03 0.10799E-03 -0.51736E-05 3318 0.223E-02 0.255E-02 RMM: 9 -0.333517375469E+03 -0.26845E-05 -0.11245E-05 2495 0.956E-03 4946 T= 6732. E= 0.67626465E+03 F= 0.62057196E+03 E0= 0.64904669E+03 EK= 0.55693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334192163270E+03 -0.67479E+00 -0.26261E-01 8880 0.245E+01 0.422E-01 RMM: 2 -0.334210239615E+03 -0.18076E-01 -0.14233E-01 5288 0.786E-01 0.107E+00 RMM: 3 -0.334201377648E+03 0.88620E-02 -0.11845E-02 5433 0.235E-01 0.297E-01 RMM: 4 -0.334202704347E+03 -0.13267E-02 -0.28359E-03 5297 0.132E-01 0.557E-01 RMM: 5 -0.334200702479E+03 0.20019E-02 -0.12305E-03 4608 0.951E-02 0.164E-01 RMM: 6 -0.334200618789E+03 0.83690E-04 -0.25950E-04 3898 0.413E-02 0.125E-01 RMM: 7 -0.334200599647E+03 0.19142E-04 -0.11765E-04 3870 0.317E-02 4947 T= 6510. E= 0.67415198E+03 F= 0.62029733E+03 E0= 0.64878360E+03 EK= 0.53855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334665581569E+03 -0.46496E+00 -0.25619E-01 8664 0.241E+01 0.423E-01 RMM: 2 -0.334680739943E+03 -0.15158E-01 -0.15453E-01 5209 0.832E-01 0.736E-01 RMM: 3 -0.334676576521E+03 0.41634E-02 -0.13696E-02 5606 0.231E-01 0.374E-01 RMM: 4 -0.334677413852E+03 -0.83733E-03 -0.27937E-03 5300 0.136E-01 0.553E-01 RMM: 5 -0.334675413050E+03 0.20008E-02 -0.13453E-03 4611 0.990E-02 0.137E-01 RMM: 6 -0.334675475566E+03 -0.62516E-04 -0.29863E-04 3923 0.444E-02 0.172E-01 RMM: 7 -0.334675350014E+03 0.12555E-03 -0.13836E-04 3878 0.355E-02 0.107E-01 RMM: 8 -0.334675282394E+03 0.67620E-04 -0.52162E-05 3315 0.211E-02 0.386E-02 RMM: 9 -0.334675314280E+03 -0.31886E-04 -0.27478E-05 2769 0.151E-02 0.680E-02 RMM: 10 -0.334675292598E+03 0.21683E-04 -0.18091E-05 2542 0.139E-02 0.209E-02 RMM: 11 -0.334675291408E+03 0.11895E-05 -0.37814E-06 2437 0.572E-03 4948 T= 6250. E= 0.67194433E+03 F= 0.62024246E+03 E0= 0.64874229E+03 EK= 0.51702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334973522123E+03 -0.29823E+00 -0.23550E-01 8604 0.237E+01 0.355E-01 RMM: 2 -0.334986568857E+03 -0.13047E-01 -0.13885E-01 5121 0.801E-01 0.616E-01 RMM: 3 -0.334983454229E+03 0.31146E-02 -0.11773E-02 5661 0.219E-01 0.319E-01 RMM: 4 -0.334984075484E+03 -0.62126E-03 -0.19670E-03 5153 0.113E-01 0.480E-01 RMM: 5 -0.334982585765E+03 0.14897E-02 -0.94104E-04 4612 0.828E-02 0.137E-01 RMM: 6 -0.334982553479E+03 0.32286E-04 -0.26417E-04 3892 0.420E-02 0.124E-01 RMM: 7 -0.334982484473E+03 0.69005E-04 -0.88058E-05 3721 0.296E-02 0.774E-02 RMM: 8 -0.334982445555E+03 0.38918E-04 -0.17530E-05 2569 0.129E-02 0.239E-02 RMM: 9 -0.334982450360E+03 -0.48048E-05 -0.11266E-05 2468 0.955E-03 4949 T= 6043. E= 0.67035892E+03 F= 0.62036573E+03 E0= 0.64888239E+03 EK= 0.49993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335147361059E+03 -0.16492E+00 -0.20837E-01 8592 0.234E+01 0.402E-01 RMM: 2 -0.335157496094E+03 -0.10135E-01 -0.11865E-01 5099 0.737E-01 0.555E-01 RMM: 3 -0.335155360465E+03 0.21356E-02 -0.10838E-02 5639 0.208E-01 0.394E-01 RMM: 4 -0.335155785399E+03 -0.42493E-03 -0.20441E-03 5121 0.115E-01 0.512E-01 RMM: 5 -0.335154042223E+03 0.17432E-02 -0.10711E-03 4614 0.870E-02 0.114E-01 RMM: 6 -0.335154131158E+03 -0.88934E-04 -0.28208E-04 3912 0.433E-02 0.165E-01 RMM: 7 -0.335154011373E+03 0.11978E-03 -0.10770E-04 3822 0.316E-02 0.100E-01 RMM: 8 -0.335153947988E+03 0.63385E-04 -0.35828E-05 3039 0.177E-02 0.329E-02 RMM: 9 -0.335153970976E+03 -0.22987E-04 -0.23572E-05 2608 0.139E-02 0.607E-02 RMM: 10 -0.335153954260E+03 0.16716E-04 -0.17029E-05 2530 0.132E-02 4950 T= 5954. E= 0.66988983E+03 F= 0.62063189E+03 E0= 0.64916740E+03 EK= 0.49258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335196590986E+03 -0.42620E-01 -0.19096E-01 8640 0.234E+01 0.387E-01 RMM: 2 -0.335204535539E+03 -0.79446E-02 -0.96103E-02 5163 0.670E-01 0.564E-01 RMM: 3 -0.335202518980E+03 0.20166E-02 -0.86263E-03 5605 0.192E-01 0.380E-01 RMM: 4 -0.335203014224E+03 -0.49524E-03 -0.19600E-03 4965 0.114E-01 0.494E-01 RMM: 5 -0.335201336155E+03 0.16781E-02 -0.10087E-03 4610 0.849E-02 0.966E-02 RMM: 6 -0.335201464843E+03 -0.12869E-03 -0.24979E-04 3897 0.403E-02 0.173E-01 RMM: 7 -0.335201298076E+03 0.16677E-03 -0.10313E-04 3794 0.312E-02 0.757E-02 RMM: 8 -0.335201264119E+03 0.33957E-04 -0.22474E-05 2675 0.142E-02 0.309E-02 RMM: 9 -0.335201280220E+03 -0.16101E-04 -0.19342E-05 2531 0.125E-02 4951 T= 6009. E= 0.67073357E+03 F= 0.62102415E+03 E0= 0.64958052E+03 EK= 0.49709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335108439754E+03 0.92824E-01 -0.18981E-01 8592 0.236E+01 0.398E-01 RMM: 2 -0.335115402268E+03 -0.69625E-02 -0.87098E-02 5195 0.653E-01 0.580E-01 RMM: 3 -0.335113575900E+03 0.18264E-02 -0.82621E-03 5545 0.194E-01 0.398E-01 RMM: 4 -0.335114116169E+03 -0.54027E-03 -0.18228E-03 4882 0.106E-01 0.511E-01 RMM: 5 -0.335112375209E+03 0.17410E-02 -0.92055E-04 4608 0.800E-02 0.125E-01 RMM: 6 -0.335112356513E+03 0.18697E-04 -0.23049E-04 3897 0.386E-02 0.118E-01 RMM: 7 -0.335112298343E+03 0.58170E-04 -0.76773E-05 3586 0.265E-02 0.824E-02 RMM: 8 -0.335112257886E+03 0.40457E-04 -0.24022E-05 2733 0.150E-02 0.308E-02 RMM: 9 -0.335112272327E+03 -0.14441E-04 -0.17313E-05 2521 0.115E-02 4952 T= 6193. E= 0.67278412E+03 F= 0.62154915E+03 E0= 0.65012674E+03 EK= 0.51235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334855958465E+03 0.25630E+00 -0.19374E-01 8268 0.241E+01 0.405E-01 RMM: 2 -0.334864891533E+03 -0.89331E-02 -0.92150E-02 5133 0.684E-01 0.752E-01 RMM: 3 -0.334861233721E+03 0.36578E-02 -0.91612E-03 5631 0.195E-01 0.329E-01 RMM: 4 -0.334862092294E+03 -0.85857E-03 -0.21927E-03 5017 0.119E-01 0.514E-01 RMM: 5 -0.334860329449E+03 0.17628E-02 -0.10506E-03 4606 0.863E-02 0.138E-01 RMM: 6 -0.334860290320E+03 0.39129E-04 -0.22724E-04 3903 0.383E-02 0.121E-01 RMM: 7 -0.334860273188E+03 0.17133E-04 -0.99448E-05 3810 0.288E-02 4953 T= 6454. E= 0.67562443E+03 F= 0.62222953E+03 E0= 0.65082798E+03 EK= 0.53395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334418826799E+03 0.44146E+00 -0.19653E-01 8328 0.246E+01 0.439E-01 RMM: 2 -0.334428456224E+03 -0.96294E-02 -0.99013E-02 5084 0.732E-01 0.809E-01 RMM: 3 -0.334424483629E+03 0.39726E-02 -0.10804E-02 5512 0.223E-01 0.355E-01 RMM: 4 -0.334425747424E+03 -0.12638E-02 -0.23485E-03 5087 0.118E-01 0.581E-01 RMM: 5 -0.334423429932E+03 0.23175E-02 -0.12272E-03 4604 0.932E-02 0.117E-01 RMM: 6 -0.334423498852E+03 -0.68920E-04 -0.24542E-04 3895 0.396E-02 0.159E-01 RMM: 7 -0.334423413958E+03 0.84894E-04 -0.11214E-04 3862 0.298E-02 0.119E-01 RMM: 8 -0.334423323624E+03 0.90334E-04 -0.55814E-05 3346 0.213E-02 0.324E-02 RMM: 9 -0.334423348842E+03 -0.25219E-04 -0.24537E-05 2701 0.140E-02 0.641E-02 RMM: 10 -0.334423329400E+03 0.19443E-04 -0.17099E-05 2532 0.137E-02 4954 T= 6706. E= 0.67856259E+03 F= 0.62308591E+03 E0= 0.65170213E+03 EK= 0.55477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333804179143E+03 0.61917E+00 -0.20410E-01 7908 0.249E+01 0.372E-01 RMM: 2 -0.333815972273E+03 -0.11793E-01 -0.11649E-01 4966 0.794E-01 0.768E-01 RMM: 3 -0.333812017980E+03 0.39543E-02 -0.13187E-02 5705 0.227E-01 0.282E-01 RMM: 4 -0.333812814044E+03 -0.79606E-03 -0.19240E-03 5015 0.108E-01 0.484E-01 RMM: 5 -0.333811310519E+03 0.15035E-02 -0.81605E-04 4594 0.753E-02 0.157E-01 RMM: 6 -0.333811182165E+03 0.12835E-03 -0.23260E-04 3889 0.390E-02 0.857E-02 RMM: 7 -0.333811207204E+03 -0.25039E-04 -0.79060E-05 3600 0.259E-02 0.108E-01 RMM: 8 -0.333811130342E+03 0.76862E-04 -0.30975E-05 2968 0.174E-02 0.277E-02 RMM: 9 -0.333811130521E+03 -0.17860E-06 -0.10977E-05 2474 0.914E-03 4955 T= 6855. E= 0.68081836E+03 F= 0.62411022E+03 E0= 0.65274211E+03 EK= 0.56708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333080032197E+03 0.73110E+00 -0.20035E-01 7860 0.250E+01 0.402E-01 RMM: 2 -0.333089584463E+03 -0.95523E-02 -0.98795E-02 5020 0.750E-01 0.749E-01 RMM: 3 -0.333086188833E+03 0.33956E-02 -0.11171E-02 5630 0.219E-01 0.313E-01 RMM: 4 -0.333087189799E+03 -0.10010E-02 -0.19830E-03 5002 0.110E-01 0.525E-01 RMM: 5 -0.333085326777E+03 0.18630E-02 -0.10154E-03 4608 0.851E-02 0.141E-01 RMM: 6 -0.333085293040E+03 0.33737E-04 -0.28359E-04 3908 0.431E-02 0.130E-01 RMM: 7 -0.333085277364E+03 0.15676E-04 -0.11261E-04 3843 0.312E-02 4956 T= 6844. E= 0.68186567E+03 F= 0.62524459E+03 E0= 0.65388877E+03 EK= 0.56621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332347555371E+03 0.73774E+00 -0.19258E-01 7692 0.247E+01 0.421E-01 RMM: 2 -0.332358486884E+03 -0.10932E-01 -0.96249E-02 5020 0.747E-01 0.908E-01 RMM: 3 -0.332353328613E+03 0.51583E-02 -0.11472E-02 5501 0.229E-01 0.315E-01 RMM: 4 -0.332354381946E+03 -0.10533E-02 -0.23226E-03 5155 0.119E-01 0.534E-01 RMM: 5 -0.332352488306E+03 0.18936E-02 -0.12691E-03 4607 0.967E-02 0.138E-01 RMM: 6 -0.332352583933E+03 -0.95627E-04 -0.34913E-04 3945 0.479E-02 0.187E-01 RMM: 7 -0.332352440832E+03 0.14310E-03 -0.15844E-04 3874 0.386E-02 0.117E-01 RMM: 8 -0.332352356985E+03 0.83846E-04 -0.53933E-05 3324 0.213E-02 0.389E-02 RMM: 9 -0.332352385963E+03 -0.28977E-04 -0.28334E-05 2763 0.150E-02 0.695E-02 RMM: 10 -0.332352366258E+03 0.19704E-04 -0.22706E-05 2567 0.151E-02 4957 T= 6688. E= 0.68171199E+03 F= 0.62638680E+03 E0= 0.65504040E+03 EK= 0.55325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331723528900E+03 0.62886E+00 -0.19155E-01 7500 0.243E+01 0.322E-01 RMM: 2 -0.331734961934E+03 -0.11433E-01 -0.10650E-01 4787 0.788E-01 0.750E-01 RMM: 3 -0.331731193344E+03 0.37686E-02 -0.12378E-02 5663 0.224E-01 0.228E-01 RMM: 4 -0.331731811338E+03 -0.61799E-03 -0.17166E-03 5126 0.107E-01 0.422E-01 RMM: 5 -0.331730700965E+03 0.11104E-02 -0.81368E-04 4608 0.779E-02 0.157E-01 RMM: 6 -0.331730611844E+03 0.89121E-04 -0.30827E-04 3938 0.456E-02 0.114E-01 RMM: 7 -0.331730572738E+03 0.39107E-04 -0.10938E-04 3836 0.332E-02 0.887E-02 RMM: 8 -0.331730521863E+03 0.50875E-04 -0.22113E-05 2728 0.149E-02 0.270E-02 RMM: 9 -0.331730524094E+03 -0.22313E-05 -0.96125E-06 2470 0.892E-03 4958 T= 6459. E= 0.68085891E+03 F= 0.62742222E+03 E0= 0.65608448E+03 EK= 0.53437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331304614479E+03 0.42591E+00 -0.18454E-01 7728 0.238E+01 0.385E-01 RMM: 2 -0.331313148417E+03 -0.85339E-02 -0.93529E-02 4892 0.721E-01 0.636E-01 RMM: 3 -0.331310693759E+03 0.24547E-02 -0.10033E-02 5542 0.206E-01 0.329E-01 RMM: 4 -0.331311487353E+03 -0.79359E-03 -0.22567E-03 5227 0.125E-01 0.508E-01 RMM: 5 -0.331309768601E+03 0.17188E-02 -0.11099E-03 4608 0.898E-02 0.117E-01 RMM: 6 -0.331309829585E+03 -0.60984E-04 -0.27206E-04 3917 0.431E-02 0.155E-01 RMM: 7 -0.331309720956E+03 0.10863E-03 -0.12084E-04 3848 0.337E-02 0.971E-02 RMM: 8 -0.331309664588E+03 0.56368E-04 -0.39721E-05 3136 0.189E-02 0.364E-02 RMM: 9 -0.331309686705E+03 -0.22116E-04 -0.22169E-05 2579 0.136E-02 0.633E-02 RMM: 10 -0.331309670211E+03 0.16493E-04 -0.15886E-05 2513 0.125E-02 4959 T= 6253. E= 0.67999212E+03 F= 0.62826238E+03 E0= 0.65693263E+03 EK= 0.51730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331124307089E+03 0.18538E+00 -0.18658E-01 7824 0.235E+01 0.352E-01 RMM: 2 -0.331134313024E+03 -0.10006E-01 -0.10958E-01 4856 0.769E-01 0.588E-01 RMM: 3 -0.331132076894E+03 0.22361E-02 -0.11951E-02 5698 0.221E-01 0.288E-01 RMM: 4 -0.331132663210E+03 -0.58632E-03 -0.19235E-03 5191 0.114E-01 0.457E-01 RMM: 5 -0.331131295570E+03 0.13676E-02 -0.87148E-04 4605 0.789E-02 0.113E-01 RMM: 6 -0.331131393440E+03 -0.97870E-04 -0.27534E-04 3904 0.432E-02 0.170E-01 RMM: 7 -0.331131224148E+03 0.16929E-03 -0.13014E-04 3853 0.359E-02 0.649E-02 RMM: 8 -0.331131204737E+03 0.19411E-04 -0.20390E-05 2597 0.138E-02 4960 T= 6141. E= 0.67967052E+03 F= 0.62886489E+03 E0= 0.65754663E+03 EK= 0.50806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331176228712E+03 -0.45005E-01 -0.19093E-01 8268 0.233E+01 0.441E-01 RMM: 2 -0.331191213952E+03 -0.14985E-01 -0.11595E-01 5052 0.768E-01 0.107E+00 RMM: 3 -0.331183363968E+03 0.78500E-02 -0.12176E-02 5438 0.242E-01 0.335E-01 RMM: 4 -0.331184600134E+03 -0.12362E-02 -0.28880E-03 5291 0.131E-01 0.563E-01 RMM: 5 -0.331182699137E+03 0.19010E-02 -0.13020E-03 4611 0.986E-02 0.222E-01 RMM: 6 -0.331182408273E+03 0.29086E-03 -0.33260E-04 3996 0.478E-02 0.914E-02 RMM: 7 -0.331182487038E+03 -0.78765E-04 -0.11255E-04 3861 0.303E-02 0.141E-01 RMM: 8 -0.331182358029E+03 0.12901E-03 -0.52356E-05 3323 0.219E-02 0.384E-02 RMM: 9 -0.331182374695E+03 -0.16666E-04 -0.27562E-05 2822 0.151E-02 4961 T= 6157. E= 0.68017601E+03 F= 0.62923967E+03 E0= 0.65793565E+03 EK= 0.50936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331395232306E+03 -0.21287E+00 -0.20204E-01 8604 0.234E+01 0.411E-01 RMM: 2 -0.331416076020E+03 -0.20844E-01 -0.14587E-01 5003 0.841E-01 0.123E+00 RMM: 3 -0.331405195408E+03 0.10881E-01 -0.15000E-02 5463 0.263E-01 0.295E-01 RMM: 4 -0.331406306441E+03 -0.11110E-02 -0.28662E-03 5286 0.129E-01 0.522E-01 RMM: 5 -0.331404530880E+03 0.17756E-02 -0.11012E-03 4601 0.889E-02 0.145E-01 RMM: 6 -0.331404471974E+03 0.58905E-04 -0.23121E-04 3884 0.387E-02 0.116E-01 RMM: 7 -0.331404484714E+03 -0.12740E-04 -0.98842E-05 3769 0.282E-02 4962 T= 6290. E= 0.68147942E+03 F= 0.62944202E+03 E0= 0.65815680E+03 EK= 0.52037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331696923438E+03 -0.29245E+00 -0.23464E-01 8892 0.237E+01 0.469E-01 RMM: 2 -0.331716260523E+03 -0.19337E-01 -0.16171E-01 5169 0.858E-01 0.109E+00 RMM: 3 -0.331707470402E+03 0.87901E-02 -0.15009E-02 5487 0.259E-01 0.357E-01 RMM: 4 -0.331708830417E+03 -0.13600E-02 -0.31227E-03 5311 0.135E-01 0.599E-01 RMM: 5 -0.331706575728E+03 0.22547E-02 -0.13191E-03 4613 0.975E-02 0.208E-01 RMM: 6 -0.331706354815E+03 0.22091E-03 -0.32683E-04 3950 0.463E-02 0.113E-01 RMM: 7 -0.331706429341E+03 -0.74526E-04 -0.15067E-04 3888 0.332E-02 0.155E-01 RMM: 8 -0.331706278455E+03 0.15089E-03 -0.85213E-05 3637 0.267E-02 0.459E-02 RMM: 9 -0.331706296809E+03 -0.18355E-04 -0.33824E-05 2997 0.162E-02 4963 T= 6491. E= 0.68325573E+03 F= 0.62956059E+03 E0= 0.65829652E+03 EK= 0.53695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331970719275E+03 -0.26444E+00 -0.27415E-01 9072 0.240E+01 0.416E-01 RMM: 2 -0.331991572430E+03 -0.20853E-01 -0.18396E-01 5223 0.884E-01 0.101E+00 RMM: 3 -0.331983322680E+03 0.82497E-02 -0.15010E-02 5552 0.252E-01 0.327E-01 RMM: 4 -0.331984377291E+03 -0.10546E-02 -0.28207E-03 5237 0.128E-01 0.538E-01 RMM: 5 -0.331982530388E+03 0.18469E-02 -0.10939E-03 4607 0.880E-02 0.164E-01 RMM: 6 -0.331982378338E+03 0.15205E-03 -0.23233E-04 3904 0.391E-02 0.797E-02 RMM: 7 -0.331982411320E+03 -0.32982E-04 -0.65975E-05 3454 0.226E-02 0.108E-01 RMM: 8 -0.331982335459E+03 0.75861E-04 -0.36058E-05 3015 0.184E-02 0.298E-02 RMM: 9 -0.331982350744E+03 -0.15285E-04 -0.20001E-05 2559 0.126E-02 4964 T= 6679. E= 0.68495478E+03 F= 0.62970024E+03 E0= 0.65845918E+03 EK= 0.55255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332120535110E+03 -0.13820E+00 -0.31311E-01 9024 0.242E+01 0.437E-01 RMM: 2 -0.332142171220E+03 -0.21636E-01 -0.21104E-01 5240 0.934E-01 0.877E-01 RMM: 3 -0.332135557347E+03 0.66139E-02 -0.17044E-02 5635 0.257E-01 0.364E-01 RMM: 4 -0.332136468495E+03 -0.91115E-03 -0.28187E-03 5269 0.129E-01 0.556E-01 RMM: 5 -0.332134420071E+03 0.20484E-02 -0.12511E-03 4601 0.942E-02 0.154E-01 RMM: 6 -0.332134333438E+03 0.86633E-04 -0.23071E-04 3909 0.378E-02 0.115E-01 RMM: 7 -0.332134350024E+03 -0.16586E-04 -0.12506E-04 3878 0.302E-02 4965 T= 6774. E= 0.68599641E+03 F= 0.62996080E+03 E0= 0.65874088E+03 EK= 0.56036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332081751094E+03 0.52582E-01 -0.34961E-01 8988 0.242E+01 0.445E-01 RMM: 2 -0.332106801382E+03 -0.25050E-01 -0.22749E-01 5333 0.965E-01 0.101E+00 RMM: 3 -0.332098027430E+03 0.87740E-02 -0.17100E-02 5619 0.264E-01 0.362E-01 RMM: 4 -0.332099057933E+03 -0.10305E-02 -0.31548E-03 5313 0.135E-01 0.570E-01 RMM: 5 -0.332096991313E+03 0.20666E-02 -0.13678E-03 4603 0.991E-02 0.172E-01 RMM: 6 -0.332096928633E+03 0.62680E-04 -0.34196E-04 3963 0.467E-02 0.148E-01 RMM: 7 -0.332096888066E+03 0.40566E-04 -0.13639E-04 3882 0.327E-02 0.122E-01 RMM: 8 -0.332096798415E+03 0.89652E-04 -0.54193E-05 3348 0.212E-02 0.426E-02 RMM: 9 -0.332096824060E+03 -0.25646E-04 -0.32012E-05 2942 0.158E-02 0.695E-02 RMM: 10 -0.332096802767E+03 0.21293E-04 -0.21402E-05 2587 0.155E-02 0.201E-02 RMM: 11 -0.332096802473E+03 0.29388E-06 -0.41398E-06 2439 0.611E-03 4966 T= 6728. E= 0.68606564E+03 F= 0.63041081E+03 E0= 0.65921151E+03 EK= 0.55655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331843372875E+03 0.25343E+00 -0.37535E-01 8808 0.240E+01 0.399E-01 RMM: 2 -0.331868596660E+03 -0.25224E-01 -0.23293E-01 5350 0.992E-01 0.941E-01 RMM: 3 -0.331860784145E+03 0.78125E-02 -0.15571E-02 5718 0.256E-01 0.285E-01 RMM: 4 -0.331861753716E+03 -0.96957E-03 -0.26186E-03 5275 0.126E-01 0.519E-01 RMM: 5 -0.331860002594E+03 0.17511E-02 -0.11229E-03 4612 0.905E-02 0.142E-01 RMM: 6 -0.331859961621E+03 0.40973E-04 -0.29374E-04 3928 0.435E-02 0.127E-01 RMM: 7 -0.331859936753E+03 0.24868E-04 -0.10028E-04 3778 0.291E-02 0.113E-01 RMM: 8 -0.331859853470E+03 0.83282E-04 -0.37461E-05 3105 0.181E-02 0.296E-02 RMM: 9 -0.331859861830E+03 -0.83595E-05 -0.17177E-05 2522 0.118E-02 4967 T= 6557. E= 0.68530722E+03 F= 0.63106349E+03 E0= 0.65988130E+03 EK= 0.54244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331456845284E+03 0.40301E+00 -0.34510E-01 8760 0.236E+01 0.407E-01 RMM: 2 -0.331479097444E+03 -0.22252E-01 -0.20358E-01 5608 0.900E-01 0.934E-01 RMM: 3 -0.331471519031E+03 0.75784E-02 -0.12855E-02 5628 0.230E-01 0.302E-01 RMM: 4 -0.331472475523E+03 -0.95649E-03 -0.26566E-03 5258 0.129E-01 0.522E-01 RMM: 5 -0.331470711529E+03 0.17640E-02 -0.12424E-03 4609 0.950E-02 0.157E-01 RMM: 6 -0.331470754171E+03 -0.42642E-04 -0.37798E-04 4019 0.495E-02 0.180E-01 RMM: 7 -0.331470668973E+03 0.85199E-04 -0.15187E-04 3879 0.360E-02 0.140E-01 RMM: 8 -0.331470543641E+03 0.12533E-03 -0.64300E-05 3457 0.231E-02 0.364E-02 RMM: 9 -0.331470566238E+03 -0.22597E-04 -0.26944E-05 2775 0.148E-02 0.639E-02 RMM: 10 -0.331470551477E+03 0.14761E-04 -0.19357E-05 2541 0.141E-02 4968 T= 6332. E= 0.68425357E+03 F= 0.63187402E+03 E0= 0.66070542E+03 EK= 0.52380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331007968756E+03 0.46260E+00 -0.32278E-01 8688 0.232E+01 0.382E-01 RMM: 2 -0.331028034616E+03 -0.20066E-01 -0.19158E-01 5560 0.888E-01 0.821E-01 RMM: 3 -0.331021838382E+03 0.61962E-02 -0.12912E-02 5745 0.227E-01 0.281E-01 RMM: 4 -0.331022561548E+03 -0.72317E-03 -0.20525E-03 5006 0.111E-01 0.487E-01 RMM: 5 -0.331021052875E+03 0.15087E-02 -0.11311E-03 4613 0.922E-02 0.152E-01 RMM: 6 -0.331021130166E+03 -0.77291E-04 -0.36644E-04 4027 0.483E-02 0.190E-01 RMM: 7 -0.331020970588E+03 0.15958E-03 -0.15533E-04 3873 0.374E-02 0.110E-01 RMM: 8 -0.331020897391E+03 0.73197E-04 -0.40080E-05 3146 0.186E-02 0.352E-02 RMM: 9 -0.331020914632E+03 -0.17241E-04 -0.22512E-05 2571 0.134E-02 4969 T= 6140. E= 0.68354601E+03 F= 0.63275039E+03 E0= 0.66159369E+03 EK= 0.50796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330607387057E+03 0.41351E+00 -0.28277E-01 8676 0.229E+01 0.401E-01 RMM: 2 -0.330627280932E+03 -0.19894E-01 -0.17369E-01 5533 0.858E-01 0.968E-01 RMM: 3 -0.330619468143E+03 0.78128E-02 -0.12306E-02 5633 0.225E-01 0.296E-01 RMM: 4 -0.330620286484E+03 -0.81834E-03 -0.23461E-03 5101 0.119E-01 0.500E-01 RMM: 5 -0.330618722315E+03 0.15642E-02 -0.11902E-03 4607 0.939E-02 0.178E-01 RMM: 6 -0.330618648300E+03 0.74015E-04 -0.39252E-04 4091 0.510E-02 0.147E-01 RMM: 7 -0.330618609809E+03 0.38491E-04 -0.14471E-04 3879 0.353E-02 0.128E-01 RMM: 8 -0.330618508039E+03 0.10177E-03 -0.46610E-05 3242 0.205E-02 0.377E-02 RMM: 9 -0.330618519723E+03 -0.11684E-04 -0.21875E-05 2569 0.132E-02 4970 T= 6055. E= 0.68367401E+03 F= 0.63358267E+03 E0= 0.66243606E+03 EK= 0.50091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330339339115E+03 0.27917E+00 -0.24971E-01 8748 0.229E+01 0.390E-01 RMM: 2 -0.330356916066E+03 -0.17577E-01 -0.15629E-01 5412 0.818E-01 0.919E-01 RMM: 3 -0.330349838201E+03 0.70779E-02 -0.11214E-02 5527 0.220E-01 0.287E-01 RMM: 4 -0.330350820030E+03 -0.98183E-03 -0.24050E-03 5136 0.122E-01 0.508E-01 RMM: 5 -0.330349174336E+03 0.16457E-02 -0.10739E-03 4610 0.882E-02 0.164E-01 RMM: 6 -0.330349125528E+03 0.48809E-04 -0.30848E-04 3925 0.449E-02 0.146E-01 RMM: 7 -0.330349099644E+03 0.25884E-04 -0.14557E-04 3875 0.351E-02 0.133E-01 RMM: 8 -0.330348988414E+03 0.11123E-03 -0.64077E-05 3459 0.233E-02 0.379E-02 RMM: 9 -0.330348996403E+03 -0.79894E-05 -0.17405E-05 2536 0.119E-02 4971 T= 6112. E= 0.68484670E+03 F= 0.63428123E+03 E0= 0.66314411E+03 EK= 0.50565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330237302586E+03 0.11169E+00 -0.22842E-01 8760 0.232E+01 0.415E-01 RMM: 2 -0.330255220788E+03 -0.17918E-01 -0.14604E-01 5233 0.818E-01 0.104E+00 RMM: 3 -0.330246685579E+03 0.85352E-02 -0.12286E-02 5495 0.239E-01 0.277E-01 RMM: 4 -0.330247925089E+03 -0.12395E-02 -0.24299E-03 5214 0.121E-01 0.534E-01 RMM: 5 -0.330246113912E+03 0.18112E-02 -0.10159E-03 4608 0.857E-02 0.174E-01 RMM: 6 -0.330245980428E+03 0.13348E-03 -0.28305E-04 3928 0.429E-02 0.110E-01 RMM: 7 -0.330246036162E+03 -0.55734E-04 -0.12190E-04 3879 0.308E-02 0.143E-01 RMM: 8 -0.330245904004E+03 0.13216E-03 -0.61858E-05 3451 0.231E-02 0.339E-02 RMM: 9 -0.330245917971E+03 -0.13967E-04 -0.20651E-05 2581 0.129E-02 4972 T= 6303. E= 0.68695000E+03 F= 0.63480837E+03 E0= 0.66368140E+03 EK= 0.52142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330278640003E+03 -0.32736E-01 -0.23032E-01 9048 0.238E+01 0.405E-01 RMM: 2 -0.330291710077E+03 -0.13070E-01 -0.14028E-01 5222 0.815E-01 0.692E-01 RMM: 3 -0.330288299154E+03 0.34109E-02 -0.11369E-02 5479 0.231E-01 0.394E-01 RMM: 4 -0.330288838275E+03 -0.53912E-03 -0.21578E-03 5074 0.113E-01 0.499E-01 RMM: 5 -0.330287156317E+03 0.16820E-02 -0.10498E-03 4612 0.858E-02 0.130E-01 RMM: 6 -0.330287126365E+03 0.29952E-04 -0.20371E-04 3906 0.360E-02 0.120E-01 RMM: 7 -0.330287099736E+03 0.26629E-04 -0.99380E-05 3781 0.282E-02 0.105E-01 RMM: 8 -0.330287034619E+03 0.65118E-04 -0.48613E-05 3263 0.204E-02 0.357E-02 RMM: 9 -0.330287050765E+03 -0.16146E-04 -0.21576E-05 2587 0.133E-02 4973 T= 6569. E= 0.68952797E+03 F= 0.63518369E+03 E0= 0.66406880E+03 EK= 0.54344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330411173350E+03 -0.12414E+00 -0.24049E-01 9072 0.244E+01 0.448E-01 RMM: 2 -0.330433058426E+03 -0.21885E-01 -0.14670E-01 5287 0.859E-01 0.133E+00 RMM: 3 -0.330420498069E+03 0.12560E-01 -0.13315E-02 5446 0.254E-01 0.304E-01 RMM: 4 -0.330421979566E+03 -0.14815E-02 -0.30303E-03 5307 0.134E-01 0.570E-01 RMM: 5 -0.330419926018E+03 0.20535E-02 -0.10868E-03 4602 0.876E-02 0.191E-01 RMM: 6 -0.330419722550E+03 0.20347E-03 -0.25724E-04 3904 0.410E-02 0.908E-02 RMM: 7 -0.330419777147E+03 -0.54598E-04 -0.12046E-04 3891 0.295E-02 0.127E-01 RMM: 8 -0.330419674201E+03 0.10295E-03 -0.63095E-05 3444 0.230E-02 0.373E-02 RMM: 9 -0.330419687347E+03 -0.13146E-04 -0.22302E-05 2645 0.137E-02 4974 T= 6815. E= 0.69183641E+03 F= 0.63545988E+03 E0= 0.66436088E+03 EK= 0.56377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330595610454E+03 -0.17594E+00 -0.25372E-01 9120 0.249E+01 0.429E-01 RMM: 2 -0.330612605515E+03 -0.16995E-01 -0.14792E-01 5358 0.859E-01 0.995E-01 RMM: 3 -0.330605777973E+03 0.68275E-02 -0.12477E-02 5461 0.242E-01 0.368E-01 RMM: 4 -0.330606579310E+03 -0.80134E-03 -0.28320E-03 5244 0.129E-01 0.515E-01 RMM: 5 -0.330604871540E+03 0.17078E-02 -0.11492E-03 4615 0.896E-02 0.177E-01 RMM: 6 -0.330604726086E+03 0.14545E-03 -0.26180E-04 3915 0.423E-02 0.105E-01 RMM: 7 -0.330604793412E+03 -0.67326E-04 -0.11512E-04 3851 0.283E-02 0.145E-01 RMM: 8 -0.330604665424E+03 0.12799E-03 -0.66785E-05 3489 0.234E-02 0.470E-02 RMM: 9 -0.330604667073E+03 -0.16495E-05 -0.24220E-05 2711 0.141E-02 4975 T= 6939. E= 0.69308302E+03 F= 0.63567886E+03 E0= 0.66460050E+03 EK= 0.57404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330845939225E+03 -0.24127E+00 -0.26438E-01 8928 0.250E+01 0.412E-01 RMM: 2 -0.330866417969E+03 -0.20479E-01 -0.15562E-01 5236 0.880E-01 0.116E+00 RMM: 3 -0.330856684928E+03 0.97330E-02 -0.13632E-02 5510 0.250E-01 0.287E-01 RMM: 4 -0.330857787949E+03 -0.11030E-02 -0.26565E-03 5237 0.125E-01 0.525E-01 RMM: 5 -0.330856145095E+03 0.16429E-02 -0.10897E-03 4593 0.881E-02 0.201E-01 RMM: 6 -0.330855947938E+03 0.19716E-03 -0.29226E-04 3910 0.438E-02 0.112E-01 RMM: 7 -0.330856004727E+03 -0.56789E-04 -0.15960E-04 3896 0.346E-02 0.142E-01 RMM: 8 -0.330855877500E+03 0.12723E-03 -0.81042E-05 3576 0.260E-02 0.426E-02 RMM: 9 -0.330855882948E+03 -0.54480E-05 -0.21076E-05 2623 0.133E-02 4976 T= 6890. E= 0.69282624E+03 F= 0.63583141E+03 E0= 0.66478030E+03 EK= 0.56995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331234425398E+03 -0.37855E+00 -0.25747E-01 9132 0.248E+01 0.415E-01 RMM: 2 -0.331260232923E+03 -0.25808E-01 -0.15816E-01 5195 0.902E-01 0.144E+00 RMM: 3 -0.331245583290E+03 0.14650E-01 -0.15510E-02 5486 0.270E-01 0.295E-01 RMM: 4 -0.331246106547E+03 -0.52326E-03 -0.27364E-03 5270 0.125E-01 0.444E-01 RMM: 5 -0.331245083042E+03 0.10235E-02 -0.11575E-03 4612 0.919E-02 0.243E-01 RMM: 6 -0.331244774706E+03 0.30834E-03 -0.41502E-04 4083 0.526E-02 0.124E-01 RMM: 7 -0.331244890662E+03 -0.11596E-03 -0.21342E-04 3888 0.405E-02 0.180E-01 RMM: 8 -0.331244688230E+03 0.20243E-03 -0.10481E-04 3767 0.301E-02 0.508E-02 RMM: 9 -0.331244685447E+03 0.27831E-05 -0.21094E-05 2626 0.133E-02 4977 T= 6695. E= 0.69123685E+03 F= 0.63585121E+03 E0= 0.66483452E+03 EK= 0.55386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331853897228E+03 -0.60921E+00 -0.24540E-01 8808 0.243E+01 0.411E-01 RMM: 2 -0.331880093384E+03 -0.26196E-01 -0.17064E-01 5151 0.954E-01 0.140E+00 RMM: 3 -0.331866449061E+03 0.13644E-01 -0.16429E-02 5460 0.283E-01 0.321E-01 RMM: 4 -0.331866690431E+03 -0.24137E-03 -0.26789E-03 5273 0.122E-01 0.420E-01 RMM: 5 -0.331865850218E+03 0.84021E-03 -0.13474E-03 4617 0.101E-01 0.255E-01 RMM: 6 -0.331865546237E+03 0.30398E-03 -0.48597E-04 4366 0.572E-02 0.143E-01 RMM: 7 -0.331865643911E+03 -0.97674E-04 -0.23502E-04 3901 0.422E-02 0.184E-01 RMM: 8 -0.331865427220E+03 0.21669E-03 -0.11308E-04 3797 0.315E-02 0.541E-02 RMM: 9 -0.331865423243E+03 0.39768E-05 -0.24702E-05 2722 0.147E-02 4978 T= 6445. E= 0.68896686E+03 F= 0.63564777E+03 E0= 0.66467298E+03 EK= 0.53319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332777220299E+03 -0.91179E+00 -0.19690E-01 8700 0.239E+01 0.460E-01 RMM: 2 -0.332812291186E+03 -0.35071E-01 -0.14601E-01 5206 0.892E-01 0.192E+00 RMM: 3 -0.332786824775E+03 0.25466E-01 -0.17132E-02 5382 0.304E-01 0.329E-01 RMM: 4 -0.332787130821E+03 -0.30605E-03 -0.30997E-03 5319 0.130E-01 0.429E-01 RMM: 5 -0.332786306551E+03 0.82427E-03 -0.12434E-03 4615 0.961E-02 0.282E-01 RMM: 6 -0.332785876834E+03 0.42972E-03 -0.47315E-04 4389 0.560E-02 0.128E-01 RMM: 7 -0.332785959993E+03 -0.83160E-04 -0.23547E-04 3895 0.424E-02 0.168E-01 RMM: 8 -0.332785779768E+03 0.18022E-03 -0.10411E-04 3713 0.306E-02 0.461E-02 RMM: 9 -0.332785783897E+03 -0.41291E-05 -0.20865E-05 2608 0.132E-02 4979 T= 6239. E= 0.68676602E+03 F= 0.63515491E+03 E0= 0.66422934E+03 EK= 0.51611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334003003357E+03 -0.12172E+01 -0.16824E-01 8064 0.236E+01 0.439E-01 RMM: 2 -0.334022918515E+03 -0.19915E-01 -0.11082E-01 5248 0.767E-01 0.141E+00 RMM: 3 -0.334009540950E+03 0.13378E-01 -0.12234E-02 5372 0.254E-01 0.336E-01 RMM: 4 -0.334010250038E+03 -0.70909E-03 -0.29521E-03 5292 0.130E-01 0.495E-01 RMM: 5 -0.334008945467E+03 0.13046E-02 -0.13184E-03 4621 0.994E-02 0.255E-01 RMM: 6 -0.334008597063E+03 0.34840E-03 -0.41005E-04 4116 0.528E-02 0.122E-01 RMM: 7 -0.334008691843E+03 -0.94780E-04 -0.19847E-04 3893 0.387E-02 0.169E-01 RMM: 8 -0.334008507857E+03 0.18399E-03 -0.93952E-05 3664 0.286E-02 0.453E-02 RMM: 9 -0.334008509091E+03 -0.12345E-05 -0.21625E-05 2645 0.135E-02 4980 T= 6141. E= 0.68517468E+03 F= 0.63436881E+03 E0= 0.66349939E+03 EK= 0.50806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335459897620E+03 -0.14514E+01 -0.16460E-01 7848 0.237E+01 0.474E-01 RMM: 2 -0.335481363665E+03 -0.21466E-01 -0.96649E-02 5131 0.748E-01 0.158E+00 RMM: 3 -0.335464474810E+03 0.16889E-01 -0.12390E-02 5369 0.263E-01 0.334E-01 RMM: 4 -0.335465677552E+03 -0.12027E-02 -0.34355E-03 5315 0.142E-01 0.557E-01 RMM: 5 -0.335463792490E+03 0.18851E-02 -0.12599E-03 4613 0.960E-02 0.214E-01 RMM: 6 -0.335463555348E+03 0.23714E-03 -0.29267E-04 3910 0.438E-02 0.110E-01 RMM: 7 -0.335463603318E+03 -0.47969E-04 -0.14054E-04 3884 0.328E-02 0.140E-01 RMM: 8 -0.335463477162E+03 0.12616E-03 -0.66000E-05 3449 0.240E-02 0.355E-02 RMM: 9 -0.335463489171E+03 -0.12008E-04 -0.17964E-05 2548 0.120E-02 4981 T= 6172. E= 0.68441553E+03 F= 0.63335657E+03 E0= 0.66255039E+03 EK= 0.51059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337027656498E+03 -0.15642E+01 -0.16494E-01 7884 0.239E+01 0.475E-01 RMM: 2 -0.337040652911E+03 -0.12996E-01 -0.93687E-02 5164 0.735E-01 0.115E+00 RMM: 3 -0.337032278617E+03 0.83743E-02 -0.11568E-02 5374 0.244E-01 0.402E-01 RMM: 4 -0.337033634068E+03 -0.13555E-02 -0.31928E-03 5298 0.138E-01 0.609E-01 RMM: 5 -0.337031301162E+03 0.23329E-02 -0.13004E-03 4608 0.965E-02 0.207E-01 RMM: 6 -0.337031063177E+03 0.23798E-03 -0.28877E-04 3903 0.441E-02 0.985E-02 RMM: 7 -0.337031134985E+03 -0.71808E-04 -0.13288E-04 3880 0.309E-02 0.146E-01 RMM: 8 -0.337030996802E+03 0.13818E-03 -0.67563E-05 3463 0.241E-02 0.342E-02 RMM: 9 -0.337031009786E+03 -0.12984E-04 -0.23847E-05 2736 0.140E-02 4982 T= 6306. E= 0.68440121E+03 F= 0.63223441E+03 E0= 0.66149775E+03 EK= 0.52167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338573774784E+03 -0.15428E+01 -0.17538E-01 7956 0.243E+01 0.480E-01 RMM: 2 -0.338586297383E+03 -0.12523E-01 -0.10738E-01 5146 0.786E-01 0.107E+00 RMM: 3 -0.338579467154E+03 0.68302E-02 -0.12189E-02 5448 0.244E-01 0.390E-01 RMM: 4 -0.338581146157E+03 -0.16790E-02 -0.30164E-03 5284 0.133E-01 0.652E-01 RMM: 5 -0.338578298483E+03 0.28477E-02 -0.14049E-03 4610 0.100E-01 0.122E-01 RMM: 6 -0.338578303474E+03 -0.49909E-05 -0.23701E-04 3881 0.383E-02 0.135E-01 RMM: 7 -0.338578252962E+03 0.50512E-04 -0.89090E-05 3756 0.265E-02 0.110E-01 RMM: 8 -0.338578177897E+03 0.75065E-04 -0.48634E-05 3254 0.200E-02 0.339E-02 RMM: 9 -0.338578200497E+03 -0.22600E-04 -0.23634E-05 2656 0.141E-02 0.649E-02 RMM: 10 -0.338578179481E+03 0.21017E-04 -0.14504E-05 2520 0.128E-02 0.233E-02 RMM: 11 -0.338578177733E+03 0.17473E-05 -0.39432E-06 2429 0.590E-03 4983 T= 6486. E= 0.68478524E+03 F= 0.63113260E+03 E0= 0.66047084E+03 EK= 0.53653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339986549547E+03 -0.14084E+01 -0.17823E-01 8040 0.245E+01 0.473E-01 RMM: 2 -0.339998865956E+03 -0.12316E-01 -0.10810E-01 5210 0.771E-01 0.104E+00 RMM: 3 -0.339992342410E+03 0.65235E-02 -0.11452E-02 5490 0.232E-01 0.391E-01 RMM: 4 -0.339993798117E+03 -0.14557E-02 -0.30022E-03 5280 0.133E-01 0.626E-01 RMM: 5 -0.339991168716E+03 0.26294E-02 -0.13926E-03 4608 0.999E-02 0.137E-01 RMM: 6 -0.339991120421E+03 0.48295E-04 -0.24066E-04 3882 0.392E-02 0.119E-01 RMM: 7 -0.339991080442E+03 0.39979E-04 -0.84690E-05 3688 0.260E-02 0.102E-01 RMM: 8 -0.339991019049E+03 0.61394E-04 -0.34305E-05 3024 0.173E-02 0.357E-02 RMM: 9 -0.339991037998E+03 -0.18949E-04 -0.25084E-05 2714 0.141E-02 4984 T= 6637. E= 0.68506946E+03 F= 0.63016436E+03 E0= 0.65958087E+03 EK= 0.54905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341189218079E+03 -0.11982E+01 -0.18334E-01 8268 0.246E+01 0.460E-01 RMM: 2 -0.341199255731E+03 -0.10038E-01 -0.10291E-01 5123 0.746E-01 0.871E-01 RMM: 3 -0.341194971837E+03 0.42839E-02 -0.11079E-02 5473 0.229E-01 0.406E-01 RMM: 4 -0.341196358832E+03 -0.13870E-02 -0.26292E-03 5288 0.124E-01 0.631E-01 RMM: 5 -0.341193753325E+03 0.26055E-02 -0.13553E-03 4611 0.988E-02 0.141E-01 RMM: 6 -0.341193721774E+03 0.31551E-04 -0.28042E-04 3887 0.423E-02 0.133E-01 RMM: 7 -0.341193698986E+03 0.22788E-04 -0.10256E-04 3833 0.290E-02 0.123E-01 RMM: 8 -0.341193603278E+03 0.95708E-04 -0.50903E-05 3298 0.204E-02 0.358E-02 RMM: 9 -0.341193630476E+03 -0.27197E-04 -0.26534E-05 2752 0.144E-02 0.706E-02 RMM: 10 -0.341193605465E+03 0.25010E-04 -0.18843E-05 2547 0.144E-02 0.218E-02 RMM: 11 -0.341193604461E+03 0.10045E-05 -0.37876E-06 2435 0.574E-03 4985 T= 6696. E= 0.68480238E+03 F= 0.62940689E+03 E0= 0.65890287E+03 EK= 0.55395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342149487854E+03 -0.95588E+00 -0.19280E-01 7848 0.244E+01 0.421E-01 RMM: 2 -0.342160448883E+03 -0.10961E-01 -0.11979E-01 4851 0.800E-01 0.724E-01 RMM: 3 -0.342157400722E+03 0.30482E-02 -0.13501E-02 5602 0.241E-01 0.391E-01 RMM: 4 -0.342158344918E+03 -0.94420E-03 -0.24084E-03 5274 0.121E-01 0.580E-01 RMM: 5 -0.342156153425E+03 0.21915E-02 -0.12438E-03 4607 0.945E-02 0.116E-01 RMM: 6 -0.342156187878E+03 -0.34453E-04 -0.22468E-04 3883 0.373E-02 0.144E-01 RMM: 7 -0.342156081433E+03 0.10645E-03 -0.84424E-05 3681 0.272E-02 0.824E-02 RMM: 8 -0.342156043306E+03 0.38127E-04 -0.31715E-05 2973 0.166E-02 0.352E-02 RMM: 9 -0.342156059368E+03 -0.16062E-04 -0.21016E-05 2568 0.130E-02 4986 T= 6638. E= 0.68380533E+03 F= 0.62889248E+03 E0= 0.65846594E+03 EK= 0.54913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342884911071E+03 -0.72887E+00 -0.18622E-01 7932 0.241E+01 0.423E-01 RMM: 2 -0.342895687674E+03 -0.10777E-01 -0.98310E-02 4966 0.719E-01 0.898E-01 RMM: 3 -0.342890491466E+03 0.51962E-02 -0.10604E-02 5500 0.223E-01 0.326E-01 RMM: 4 -0.342891891727E+03 -0.14003E-02 -0.27301E-03 5292 0.132E-01 0.585E-01 RMM: 5 -0.342889678747E+03 0.22130E-02 -0.13067E-03 4618 0.982E-02 0.146E-01 RMM: 6 -0.342889665084E+03 0.13663E-04 -0.31587E-04 3981 0.456E-02 0.147E-01 RMM: 7 -0.342889628018E+03 0.37066E-04 -0.11869E-04 3866 0.326E-02 0.129E-01 RMM: 8 -0.342889522443E+03 0.10558E-03 -0.51069E-05 3295 0.210E-02 0.342E-02 RMM: 9 -0.342889544204E+03 -0.21761E-04 -0.22939E-05 2654 0.135E-02 0.632E-02 RMM: 10 -0.342889530074E+03 0.14129E-04 -0.17180E-05 2522 0.135E-02 4987 T= 6487. E= 0.68227473E+03 F= 0.62861253E+03 E0= 0.65825896E+03 EK= 0.53662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343426103532E+03 -0.53656E+00 -0.18904E-01 7992 0.236E+01 0.383E-01 RMM: 2 -0.343435031702E+03 -0.89282E-02 -0.11324E-01 4876 0.761E-01 0.446E-01 RMM: 3 -0.343434334211E+03 0.69749E-03 -0.11707E-02 5585 0.222E-01 0.461E-01 RMM: 4 -0.343434262559E+03 0.71652E-04 -0.19812E-03 5226 0.115E-01 0.492E-01 RMM: 5 -0.343432676556E+03 0.15860E-02 -0.94309E-04 4609 0.803E-02 0.909E-02 RMM: 6 -0.343432820888E+03 -0.14433E-03 -0.26953E-04 3890 0.429E-02 0.177E-01 RMM: 7 -0.343432627896E+03 0.19299E-03 -0.11129E-04 3796 0.322E-02 0.587E-02 RMM: 8 -0.343432614874E+03 0.13022E-04 -0.21267E-05 2597 0.135E-02 4988 T= 6303. E= 0.68067519E+03 F= 0.62852976E+03 E0= 0.65824241E+03 EK= 0.52145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343828128322E+03 -0.39550E+00 -0.18137E-01 8124 0.232E+01 0.450E-01 RMM: 2 -0.343842428970E+03 -0.14301E-01 -0.99923E-02 5007 0.723E-01 0.115E+00 RMM: 3 -0.343833474353E+03 0.89546E-02 -0.11768E-02 5388 0.248E-01 0.350E-01 RMM: 4 -0.343834883459E+03 -0.14091E-02 -0.28872E-03 5320 0.131E-01 0.592E-01 RMM: 5 -0.343832941064E+03 0.19424E-02 -0.13707E-03 4618 0.101E-01 0.273E-01 RMM: 6 -0.343832476072E+03 0.46499E-03 -0.48547E-04 4456 0.576E-02 0.934E-02 RMM: 7 -0.343832518295E+03 -0.42223E-04 -0.12927E-04 3877 0.328E-02 0.128E-01 RMM: 8 -0.343832418556E+03 0.99739E-04 -0.39556E-05 3129 0.200E-02 0.379E-02 RMM: 9 -0.343832439339E+03 -0.20783E-04 -0.25306E-05 2710 0.141E-02 0.636E-02 RMM: 10 -0.343832428264E+03 0.11075E-04 -0.17753E-05 2530 0.135E-02 4989 T= 6155. E= 0.67951662E+03 F= 0.62859635E+03 E0= 0.65836558E+03 EK= 0.50920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344124835717E+03 -0.29240E+00 -0.18037E-01 7980 0.229E+01 0.404E-01 RMM: 2 -0.344140557587E+03 -0.15722E-01 -0.10645E-01 4980 0.734E-01 0.116E+00 RMM: 3 -0.344131302826E+03 0.92548E-02 -0.11230E-02 5488 0.231E-01 0.302E-01 RMM: 4 -0.344132362692E+03 -0.10599E-02 -0.28418E-03 5292 0.131E-01 0.528E-01 RMM: 5 -0.344130578746E+03 0.17839E-02 -0.14458E-03 4622 0.106E-01 0.156E-01 RMM: 6 -0.344130557672E+03 0.21074E-04 -0.31986E-04 3947 0.463E-02 0.151E-01 RMM: 7 -0.344130512820E+03 0.44852E-04 -0.12757E-04 3848 0.338E-02 0.130E-01 RMM: 8 -0.344130406455E+03 0.10636E-03 -0.52548E-05 3313 0.216E-02 0.378E-02 RMM: 9 -0.344130407516E+03 -0.10610E-05 -0.15138E-05 2511 0.113E-02 4990 T= 6093. E= 0.67917221E+03 F= 0.62876808E+03 E0= 0.65858582E+03 EK= 0.50404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344349796030E+03 -0.21939E+00 -0.17826E-01 8532 0.228E+01 0.421E-01 RMM: 2 -0.344360361390E+03 -0.10565E-01 -0.10062E-01 5096 0.698E-01 0.842E-01 RMM: 3 -0.344355698351E+03 0.46630E-02 -0.98653E-03 5482 0.211E-01 0.351E-01 RMM: 4 -0.344357015443E+03 -0.13171E-02 -0.25494E-03 5239 0.126E-01 0.589E-01 RMM: 5 -0.344354828532E+03 0.21869E-02 -0.12742E-03 4612 0.965E-02 0.173E-01 RMM: 6 -0.344354716279E+03 0.11225E-03 -0.31516E-04 3962 0.456E-02 0.123E-01 RMM: 7 -0.344354712587E+03 0.36925E-05 -0.10775E-04 3839 0.313E-02 4991 T= 6138. E= 0.67978927E+03 F= 0.62901264E+03 E0= 0.65886978E+03 EK= 0.50777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344508113693E+03 -0.15340E+00 -0.18751E-01 8496 0.229E+01 0.446E-01 RMM: 2 -0.344518423821E+03 -0.10310E-01 -0.11175E-01 4989 0.747E-01 0.744E-01 RMM: 3 -0.344515130252E+03 0.32936E-02 -0.11349E-02 5568 0.221E-01 0.412E-01 RMM: 4 -0.344516457108E+03 -0.13269E-02 -0.27072E-03 5256 0.130E-01 0.635E-01 RMM: 5 -0.344513824659E+03 0.26324E-02 -0.14977E-03 4628 0.104E-01 0.139E-01 RMM: 6 -0.344513894304E+03 -0.69645E-04 -0.32925E-04 3955 0.459E-02 0.177E-01 RMM: 7 -0.344513759301E+03 0.13500E-03 -0.13656E-04 3877 0.348E-02 0.110E-01 RMM: 8 -0.344513690639E+03 0.68662E-04 -0.48098E-05 3264 0.200E-02 0.445E-02 RMM: 9 -0.344513720061E+03 -0.29422E-04 -0.32460E-05 2974 0.160E-02 0.742E-02 RMM: 10 -0.344513698502E+03 0.21559E-04 -0.20941E-05 2575 0.149E-02 0.254E-02 RMM: 11 -0.344513696422E+03 0.20803E-05 -0.44598E-06 2435 0.623E-03 4992 T= 6280. E= 0.68126602E+03 F= 0.62931751E+03 E0= 0.65920487E+03 EK= 0.51949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344591320707E+03 -0.77622E-01 -0.19806E-01 8412 0.231E+01 0.370E-01 RMM: 2 -0.344602946230E+03 -0.11626E-01 -0.11903E-01 5100 0.753E-01 0.720E-01 RMM: 3 -0.344599254968E+03 0.36913E-02 -0.10765E-02 5612 0.208E-01 0.332E-01 RMM: 4 -0.344600037225E+03 -0.78226E-03 -0.20569E-03 5054 0.114E-01 0.510E-01 RMM: 5 -0.344598354142E+03 0.16831E-02 -0.95956E-04 4608 0.825E-02 0.124E-01 RMM: 6 -0.344598327459E+03 0.26682E-04 -0.23163E-04 3893 0.386E-02 0.113E-01 RMM: 7 -0.344598278351E+03 0.49109E-04 -0.64383E-05 3452 0.248E-02 0.802E-02 RMM: 8 -0.344598236883E+03 0.41468E-04 -0.16903E-05 2552 0.126E-02 0.206E-02 RMM: 9 -0.344598243092E+03 -0.62091E-05 -0.10372E-05 2461 0.904E-03 4993 T= 6475. E= 0.68325410E+03 F= 0.62968893E+03 E0= 0.65960074E+03 EK= 0.53565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344582074261E+03 0.16163E-01 -0.19523E-01 8784 0.234E+01 0.422E-01 RMM: 2 -0.344591877155E+03 -0.98029E-02 -0.10925E-01 5220 0.709E-01 0.685E-01 RMM: 3 -0.344588911853E+03 0.29653E-02 -0.96829E-03 5532 0.203E-01 0.410E-01 RMM: 4 -0.344589828194E+03 -0.91634E-03 -0.22699E-03 5034 0.118E-01 0.580E-01 RMM: 5 -0.344587639046E+03 0.21891E-02 -0.12297E-03 4604 0.931E-02 0.136E-01 RMM: 6 -0.344587639895E+03 -0.84912E-06 -0.28132E-04 3914 0.428E-02 0.142E-01 RMM: 7 -0.344587587714E+03 0.52181E-04 -0.98778E-05 3810 0.289E-02 0.115E-01 RMM: 8 -0.344587506179E+03 0.81535E-04 -0.43353E-05 3203 0.190E-02 0.366E-02 RMM: 9 -0.344587524494E+03 -0.18315E-04 -0.22096E-05 2584 0.133E-02 4994 T= 6657. E= 0.68521669E+03 F= 0.63014702E+03 E0= 0.66007868E+03 EK= 0.55070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344452777790E+03 0.13473E+00 -0.19669E-01 8880 0.237E+01 0.400E-01 RMM: 2 -0.344464818063E+03 -0.12040E-01 -0.10942E-01 5205 0.708E-01 0.873E-01 RMM: 3 -0.344459385925E+03 0.54321E-02 -0.95334E-03 5538 0.202E-01 0.323E-01 RMM: 4 -0.344460415160E+03 -0.10292E-02 -0.24885E-03 5153 0.126E-01 0.535E-01 RMM: 5 -0.344458624123E+03 0.17910E-02 -0.11343E-03 4613 0.907E-02 0.159E-01 RMM: 6 -0.344458537109E+03 0.87013E-04 -0.24428E-04 3915 0.394E-02 0.118E-01 RMM: 7 -0.344458536279E+03 0.83064E-06 -0.10906E-04 3859 0.301E-02 4995 T= 6755. E= 0.68659615E+03 F= 0.63071637E+03 E0= 0.66066513E+03 EK= 0.55880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344199046400E+03 0.25949E+00 -0.20141E-01 8832 0.237E+01 0.443E-01 RMM: 2 -0.344213032411E+03 -0.13986E-01 -0.11465E-01 5198 0.739E-01 0.103E+00 RMM: 3 -0.344205709015E+03 0.73234E-02 -0.10747E-02 5441 0.223E-01 0.347E-01 RMM: 4 -0.344207099640E+03 -0.13906E-02 -0.30260E-03 5273 0.137E-01 0.598E-01 RMM: 5 -0.344204868452E+03 0.22312E-02 -0.13905E-03 4606 0.100E-01 0.193E-01 RMM: 6 -0.344204726918E+03 0.14153E-03 -0.29525E-04 3914 0.438E-02 0.135E-01 RMM: 7 -0.344204717047E+03 0.98708E-05 -0.15285E-04 3882 0.353E-02 4996 T= 6728. E= 0.68706297E+03 F= 0.63140669E+03 E0= 0.66137166E+03 EK= 0.55656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343843785984E+03 0.36094E+00 -0.19571E-01 8832 0.236E+01 0.410E-01 RMM: 2 -0.343859874223E+03 -0.16088E-01 -0.11032E-01 5325 0.715E-01 0.117E+00 RMM: 3 -0.343850333843E+03 0.95404E-02 -0.98248E-03 5432 0.214E-01 0.320E-01 RMM: 4 -0.343851285291E+03 -0.95145E-03 -0.28704E-03 5270 0.133E-01 0.517E-01 RMM: 5 -0.343849758706E+03 0.15266E-02 -0.13091E-03 4608 0.987E-02 0.227E-01 RMM: 6 -0.343849495090E+03 0.26362E-03 -0.36830E-04 4014 0.499E-02 0.119E-01 RMM: 7 -0.343849607689E+03 -0.11260E-03 -0.18122E-04 3882 0.376E-02 0.179E-01 RMM: 8 -0.343849408454E+03 0.19924E-03 -0.86675E-05 3632 0.277E-02 0.441E-02 RMM: 9 -0.343849411484E+03 -0.30305E-05 -0.21177E-05 2614 0.131E-02 4997 T= 6587. E= 0.68669420E+03 F= 0.63219809E+03 E0= 0.66218051E+03 EK= 0.54496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343444899253E+03 0.40451E+00 -0.19296E-01 8664 0.234E+01 0.363E-01 RMM: 2 -0.343461413295E+03 -0.16514E-01 -0.11313E-01 5263 0.724E-01 0.112E+00 RMM: 3 -0.343452209098E+03 0.92042E-02 -0.10279E-02 5488 0.214E-01 0.253E-01 RMM: 4 -0.343452960315E+03 -0.75122E-03 -0.23160E-03 5052 0.120E-01 0.446E-01 RMM: 5 -0.343451840707E+03 0.11196E-02 -0.96549E-04 4596 0.840E-02 0.222E-01 RMM: 6 -0.343451587251E+03 0.25346E-03 -0.34958E-04 4036 0.487E-02 0.115E-01 RMM: 7 -0.343451650911E+03 -0.63660E-04 -0.16848E-04 3877 0.372E-02 0.154E-01 RMM: 8 -0.343451501597E+03 0.14931E-03 -0.73383E-05 3545 0.257E-02 0.391E-02 RMM: 9 -0.343451497686E+03 0.39110E-05 -0.11231E-05 2501 0.968E-03 4998 T= 6393. E= 0.68592481E+03 F= 0.63303420E+03 E0= 0.66303417E+03 EK= 0.52891E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343088623794E+03 0.36288E+00 -0.18286E-01 8520 0.231E+01 0.435E-01 RMM: 2 -0.343108505413E+03 -0.19882E-01 -0.11292E-01 5281 0.754E-01 0.141E+00 RMM: 3 -0.343095233091E+03 0.13272E-01 -0.12079E-02 5426 0.243E-01 0.332E-01 RMM: 4 -0.343096008918E+03 -0.77583E-03 -0.28129E-03 5284 0.129E-01 0.503E-01 RMM: 5 -0.343094692121E+03 0.13168E-02 -0.13819E-03 4607 0.102E-01 0.267E-01 RMM: 6 -0.343094315984E+03 0.37614E-03 -0.42732E-04 4138 0.534E-02 0.133E-01 RMM: 7 -0.343094424487E+03 -0.10850E-03 -0.25943E-04 3890 0.450E-02 0.187E-01 RMM: 8 -0.343094212486E+03 0.21200E-03 -0.12212E-04 3857 0.332E-02 0.573E-02 RMM: 9 -0.343094204609E+03 0.78769E-05 -0.25024E-05 2755 0.147E-02 4999 T= 6223. E= 0.68531686E+03 F= 0.63383232E+03 E0= 0.66385057E+03 EK= 0.51485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342850921399E+03 0.24329E+00 -0.17220E-01 8340 0.229E+01 0.434E-01 RMM: 2 -0.342874057776E+03 -0.23136E-01 -0.10242E-01 5142 0.735E-01 0.158E+00 RMM: 3 -0.342856971489E+03 0.17086E-01 -0.12910E-02 5406 0.256E-01 0.329E-01 RMM: 4 -0.342857271278E+03 -0.29979E-03 -0.28929E-03 5227 0.127E-01 0.416E-01 RMM: 5 -0.342856541289E+03 0.72999E-03 -0.12774E-03 4605 0.973E-02 0.291E-01 RMM: 6 -0.342856060081E+03 0.48121E-03 -0.42319E-04 4183 0.544E-02 0.116E-01 RMM: 7 -0.342856159422E+03 -0.99340E-04 -0.21631E-04 3891 0.405E-02 0.171E-01 RMM: 8 -0.342855988359E+03 0.17106E-03 -0.11637E-04 3834 0.326E-02 0.590E-02 RMM: 9 -0.342855975782E+03 0.12576E-04 -0.18106E-05 2556 0.127E-02 5000 T= 6141. E= 0.68531903E+03 F= 0.63451240E+03 E0= 0.66454801E+03 EK= 0.50807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342768779545E+03 0.87209E-01 -0.16590E-01 8100 0.230E+01 0.432E-01 RMM: 2 -0.342786672930E+03 -0.17893E-01 -0.79597E-02 5206 0.649E-01 0.146E+00 RMM: 3 -0.342772412043E+03 0.14261E-01 -0.10087E-02 5356 0.235E-01 0.321E-01 RMM: 4 -0.342773637204E+03 -0.12252E-02 -0.29355E-03 5243 0.131E-01 0.552E-01 RMM: 5 -0.342772019755E+03 0.16174E-02 -0.12069E-03 4608 0.953E-02 0.262E-01 RMM: 6 -0.342771601868E+03 0.41789E-03 -0.31811E-04 3910 0.462E-02 0.886E-02 RMM: 7 -0.342771678326E+03 -0.76458E-04 -0.17600E-04 3883 0.379E-02 0.143E-01 RMM: 8 -0.342771554629E+03 0.12370E-03 -0.74393E-05 3532 0.259E-02 0.405E-02 RMM: 9 -0.342771557540E+03 -0.29106E-05 -0.17691E-05 2537 0.123E-02 5001 T= 6177. E= 0.68613769E+03 F= 0.63503662E+03 E0= 0.66508808E+03 EK= 0.51101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342808945728E+03 -0.37391E-01 -0.16758E-01 8028 0.234E+01 0.423E-01 RMM: 2 -0.342823729930E+03 -0.14784E-01 -0.70876E-02 5152 0.625E-01 0.133E+00 RMM: 3 -0.342812087735E+03 0.11642E-01 -0.91118E-03 5393 0.221E-01 0.325E-01 RMM: 4 -0.342813107158E+03 -0.10194E-02 -0.28402E-03 5191 0.128E-01 0.513E-01 RMM: 5 -0.342811602187E+03 0.15050E-02 -0.10791E-03 4608 0.890E-02 0.234E-01 RMM: 6 -0.342811269052E+03 0.33313E-03 -0.25458E-04 3916 0.423E-02 0.796E-02 RMM: 7 -0.342811334539E+03 -0.65487E-04 -0.12121E-04 3877 0.298E-02 0.128E-01 RMM: 8 -0.342811238158E+03 0.96381E-04 -0.57424E-05 3391 0.229E-02 0.507E-02 RMM: 9 -0.342811226789E+03 0.11369E-04 -0.14777E-05 2515 0.113E-02 5002 T= 6318. E= 0.68769585E+03 F= 0.63543137E+03 E0= 0.66549532E+03 EK= 0.52264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342881660330E+03 -0.70422E-01 -0.17323E-01 8472 0.239E+01 0.467E-01 RMM: 2 -0.342897186367E+03 -0.15526E-01 -0.78052E-02 5247 0.659E-01 0.137E+00 RMM: 3 -0.342884678333E+03 0.12508E-01 -0.10364E-02 5358 0.240E-01 0.365E-01 RMM: 4 -0.342886287007E+03 -0.16087E-02 -0.32667E-03 5226 0.138E-01 0.612E-01 RMM: 5 -0.342884104258E+03 0.21827E-02 -0.11537E-03 4606 0.912E-02 0.247E-01 RMM: 6 -0.342883719796E+03 0.38446E-03 -0.27890E-04 3903 0.437E-02 0.823E-02 RMM: 7 -0.342883790240E+03 -0.70444E-04 -0.13691E-04 3886 0.310E-02 0.134E-01 RMM: 8 -0.342883689995E+03 0.10025E-03 -0.65003E-05 3458 0.238E-02 0.567E-02 RMM: 9 -0.342883675404E+03 0.14590E-04 -0.21295E-05 2628 0.137E-02 5003 T= 6511. E= 0.68964522E+03 F= 0.63578582E+03 E0= 0.66585773E+03 EK= 0.53859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342871348275E+03 0.12342E-01 -0.18518E-01 8784 0.245E+01 0.456E-01 RMM: 2 -0.342887730362E+03 -0.16382E-01 -0.93656E-02 5306 0.702E-01 0.134E+00 RMM: 3 -0.342875827729E+03 0.11903E-01 -0.10271E-02 5376 0.232E-01 0.357E-01 RMM: 4 -0.342877175610E+03 -0.13479E-02 -0.33609E-03 5273 0.140E-01 0.575E-01 RMM: 5 -0.342875149546E+03 0.20261E-02 -0.12106E-03 4612 0.940E-02 0.211E-01 RMM: 6 -0.342874883099E+03 0.26645E-03 -0.22108E-04 3901 0.388E-02 0.798E-02 RMM: 7 -0.342874953812E+03 -0.70713E-04 -0.11507E-04 3852 0.281E-02 0.132E-01 RMM: 8 -0.342874851512E+03 0.10230E-03 -0.62761E-05 3442 0.230E-02 0.523E-02 RMM: 9 -0.342874840540E+03 0.10972E-04 -0.18768E-05 2560 0.126E-02 5004 T= 6677. E= 0.69144688E+03 F= 0.63621383E+03 E0= 0.66628793E+03 EK= 0.55233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342687604699E+03 0.18725E+00 -0.19825E-01 8664 0.249E+01 0.474E-01 RMM: 2 -0.342709447702E+03 -0.21843E-01 -0.10839E-01 5299 0.745E-01 0.155E+00 RMM: 3 -0.342692899927E+03 0.16548E-01 -0.12610E-02 5380 0.259E-01 0.337E-01 RMM: 4 -0.342694384659E+03 -0.14847E-02 -0.34800E-03 5286 0.142E-01 0.580E-01 RMM: 5 -0.342692325188E+03 0.20595E-02 -0.11280E-03 4603 0.893E-02 0.221E-01 RMM: 6 -0.342692025211E+03 0.29998E-03 -0.23341E-04 3888 0.393E-02 0.817E-02 RMM: 7 -0.342692124352E+03 -0.99141E-04 -0.14035E-04 3883 0.307E-02 0.152E-01 RMM: 8 -0.342691987408E+03 0.13694E-03 -0.74357E-05 3537 0.247E-02 0.474E-02 RMM: 9 -0.342691981324E+03 0.60840E-05 -0.20199E-05 2571 0.130E-02 5005 T= 6742. E= 0.69258327E+03 F= 0.63680997E+03 E0= 0.66688098E+03 EK= 0.55773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342295432829E+03 0.39655E+00 -0.20182E-01 8544 0.249E+01 0.433E-01 RMM: 2 -0.342311509542E+03 -0.16077E-01 -0.10887E-01 5330 0.711E-01 0.121E+00 RMM: 3 -0.342301391601E+03 0.10118E-01 -0.10096E-02 5377 0.225E-01 0.351E-01 RMM: 4 -0.342302423789E+03 -0.10322E-02 -0.30266E-03 5228 0.133E-01 0.535E-01 RMM: 5 -0.342300785652E+03 0.16381E-02 -0.10997E-03 4609 0.883E-02 0.240E-01 RMM: 6 -0.342300443371E+03 0.34228E-03 -0.26894E-04 3915 0.428E-02 0.873E-02 RMM: 7 -0.342300550593E+03 -0.10722E-03 -0.15169E-04 3885 0.328E-02 0.154E-01 RMM: 8 -0.342300403566E+03 0.14703E-03 -0.82563E-05 3613 0.261E-02 0.518E-02 RMM: 9 -0.342300392525E+03 0.11040E-04 -0.19832E-05 2593 0.129E-02 5006 T= 6674. E= 0.69282791E+03 F= 0.63761194E+03 E0= 0.66767410E+03 EK= 0.55216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341722538556E+03 0.57787E+00 -0.20287E-01 8244 0.246E+01 0.430E-01 RMM: 2 -0.341743989343E+03 -0.21451E-01 -0.11866E-01 5175 0.757E-01 0.146E+00 RMM: 3 -0.341729408346E+03 0.14581E-01 -0.12533E-02 5423 0.251E-01 0.329E-01 RMM: 4 -0.341730177228E+03 -0.76888E-03 -0.29219E-03 5250 0.131E-01 0.479E-01 RMM: 5 -0.341728960614E+03 0.12166E-02 -0.98845E-04 4600 0.826E-02 0.263E-01 RMM: 6 -0.341728539280E+03 0.42133E-03 -0.31423E-04 3942 0.460E-02 0.990E-02 RMM: 7 -0.341728653082E+03 -0.11380E-03 -0.20616E-04 3905 0.379E-02 0.165E-01 RMM: 8 -0.341728489006E+03 0.16408E-03 -0.10686E-04 3783 0.303E-02 0.550E-02 RMM: 9 -0.341728476192E+03 0.12814E-04 -0.18988E-05 2586 0.128E-02 5007 T= 6502. E= 0.69238689E+03 F= 0.63859430E+03 E0= 0.66864423E+03 EK= 0.53793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341045583760E+03 0.68291E+00 -0.19940E-01 8064 0.242E+01 0.409E-01 RMM: 2 -0.341066622372E+03 -0.21039E-01 -0.12603E-01 5157 0.788E-01 0.138E+00 RMM: 3 -0.341053626709E+03 0.12996E-01 -0.12996E-02 5421 0.250E-01 0.318E-01 RMM: 4 -0.341054149605E+03 -0.52290E-03 -0.26243E-03 5210 0.123E-01 0.445E-01 RMM: 5 -0.341053119234E+03 0.10304E-02 -0.10825E-03 4604 0.879E-02 0.242E-01 RMM: 6 -0.341052807750E+03 0.31148E-03 -0.39088E-04 4022 0.518E-02 0.121E-01 RMM: 7 -0.341052922340E+03 -0.11459E-03 -0.19759E-04 3895 0.388E-02 0.177E-01 RMM: 8 -0.341052728205E+03 0.19414E-03 -0.10732E-04 3852 0.302E-02 0.555E-02 RMM: 9 -0.341052716849E+03 0.11356E-04 -0.18840E-05 2576 0.128E-02 5008 T= 6298. E= 0.69178029E+03 F= 0.63968216E+03 E0= 0.66971791E+03 EK= 0.52098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340361909833E+03 0.69082E+00 -0.19488E-01 8400 0.237E+01 0.445E-01 RMM: 2 -0.340390444401E+03 -0.28535E-01 -0.12508E-01 5258 0.802E-01 0.176E+00 RMM: 3 -0.340369527263E+03 0.20917E-01 -0.14299E-02 5382 0.277E-01 0.372E-01 RMM: 4 -0.340369439076E+03 0.88186E-04 -0.27518E-03 5163 0.122E-01 0.376E-01 RMM: 5 -0.340369010897E+03 0.42818E-03 -0.10843E-03 4605 0.885E-02 0.308E-01 RMM: 6 -0.340368429103E+03 0.58179E-03 -0.40818E-04 4090 0.530E-02 0.103E-01 RMM: 7 -0.340368575493E+03 -0.14639E-03 -0.23484E-04 3918 0.412E-02 0.181E-01 RMM: 8 -0.340368376423E+03 0.19907E-03 -0.11588E-04 3834 0.319E-02 0.577E-02 RMM: 9 -0.340368362912E+03 0.13511E-04 -0.21021E-05 2643 0.136E-02 5009 T= 6141. E= 0.69157897E+03 F= 0.64077983E+03 E0= 0.67080193E+03 EK= 0.50799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339759269574E+03 0.60911E+00 -0.19272E-01 8400 0.233E+01 0.457E-01 RMM: 2 -0.339791039820E+03 -0.31770E-01 -0.12694E-01 5314 0.807E-01 0.190E+00 RMM: 3 -0.339766803219E+03 0.24237E-01 -0.14222E-02 5358 0.280E-01 0.355E-01 RMM: 4 -0.339766899944E+03 -0.96725E-04 -0.28695E-03 5217 0.125E-01 0.401E-01 RMM: 5 -0.339766221346E+03 0.67860E-03 -0.10655E-03 4604 0.871E-02 0.271E-01 RMM: 6 -0.339765804717E+03 0.41663E-03 -0.38438E-04 4010 0.519E-02 0.113E-01 RMM: 7 -0.339765925552E+03 -0.12083E-03 -0.21304E-04 3903 0.397E-02 0.176E-01 RMM: 8 -0.339765737888E+03 0.18766E-03 -0.10909E-04 3782 0.306E-02 0.576E-02 RMM: 9 -0.339765724730E+03 0.13158E-04 -0.19220E-05 2587 0.129E-02 5010 T= 6091. E= 0.69218557E+03 F= 0.64179457E+03 E0= 0.67180429E+03 EK= 0.50391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339311244415E+03 0.45449E+00 -0.19422E-01 8676 0.232E+01 0.453E-01 RMM: 2 -0.339342665655E+03 -0.31421E-01 -0.12495E-01 5379 0.793E-01 0.189E+00 RMM: 3 -0.339318601590E+03 0.24064E-01 -0.14043E-02 5358 0.278E-01 0.351E-01 RMM: 4 -0.339318937387E+03 -0.33580E-03 -0.28040E-03 5189 0.123E-01 0.429E-01 RMM: 5 -0.339318159244E+03 0.77814E-03 -0.93530E-04 4604 0.807E-02 0.289E-01 RMM: 6 -0.339317637513E+03 0.52173E-03 -0.35910E-04 3978 0.491E-02 0.891E-02 RMM: 7 -0.339317784853E+03 -0.14734E-03 -0.19562E-04 3892 0.371E-02 0.174E-01 RMM: 8 -0.339317595090E+03 0.18976E-03 -0.95857E-05 3723 0.291E-02 0.442E-02 RMM: 9 -0.339317591079E+03 0.40108E-05 -0.17873E-05 2569 0.122E-02 5011 T= 6175. E= 0.69373207E+03 F= 0.64265007E+03 E0= 0.67264997E+03 EK= 0.51082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339070176349E+03 0.24742E+00 -0.20253E-01 8844 0.233E+01 0.440E-01 RMM: 2 -0.339098844903E+03 -0.28669E-01 -0.13770E-01 5349 0.824E-01 0.173E+00 RMM: 3 -0.339078882393E+03 0.19963E-01 -0.13473E-02 5371 0.264E-01 0.336E-01 RMM: 4 -0.339079327748E+03 -0.44536E-03 -0.29325E-03 5186 0.128E-01 0.443E-01 RMM: 5 -0.339078255879E+03 0.10719E-02 -0.90057E-04 4606 0.782E-02 0.219E-01 RMM: 6 -0.339077987249E+03 0.26863E-03 -0.27522E-04 3893 0.435E-02 0.958E-02 RMM: 7 -0.339078089972E+03 -0.10272E-03 -0.15473E-04 3886 0.332E-02 0.157E-01 RMM: 8 -0.339077936892E+03 0.15308E-03 -0.78035E-05 3563 0.258E-02 0.447E-02 RMM: 9 -0.339077931001E+03 0.58906E-05 -0.15119E-05 2531 0.111E-02 5012 T= 6376. E= 0.69603861E+03 F= 0.64328917E+03 E0= 0.67328192E+03 EK= 0.52749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339071714154E+03 0.62227E-02 -0.22260E-01 8988 0.236E+01 0.452E-01 RMM: 2 -0.339102021942E+03 -0.30308E-01 -0.15494E-01 5346 0.870E-01 0.172E+00 RMM: 3 -0.339081780346E+03 0.20242E-01 -0.14615E-02 5388 0.273E-01 0.329E-01 RMM: 4 -0.339082666974E+03 -0.88663E-03 -0.30232E-03 5209 0.129E-01 0.507E-01 RMM: 5 -0.339081242704E+03 0.14243E-02 -0.93394E-04 4610 0.790E-02 0.233E-01 RMM: 6 -0.339080919234E+03 0.32347E-03 -0.29861E-04 3903 0.442E-02 0.891E-02 RMM: 7 -0.339081043804E+03 -0.12457E-03 -0.16267E-04 3888 0.334E-02 0.164E-01 RMM: 8 -0.339080877606E+03 0.16620E-03 -0.82644E-05 3619 0.264E-02 0.469E-02 RMM: 9 -0.339080871906E+03 0.57002E-05 -0.18414E-05 2568 0.123E-02 5013 T= 6639. E= 0.69859796E+03 F= 0.64367623E+03 E0= 0.67366442E+03 EK= 0.54922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339327671740E+03 -0.24679E+00 -0.25087E-01 9036 0.239E+01 0.441E-01 RMM: 2 -0.339357278513E+03 -0.29607E-01 -0.17743E-01 5325 0.911E-01 0.159E+00 RMM: 3 -0.339339756492E+03 0.17522E-01 -0.14877E-02 5422 0.267E-01 0.294E-01 RMM: 4 -0.339340729012E+03 -0.97252E-03 -0.31325E-03 5277 0.133E-01 0.504E-01 RMM: 5 -0.339339278745E+03 0.14503E-02 -0.97688E-04 4605 0.814E-02 0.219E-01 RMM: 6 -0.339338996509E+03 0.28224E-03 -0.26204E-04 3896 0.418E-02 0.880E-02 RMM: 7 -0.339339096234E+03 -0.99726E-04 -0.15590E-04 3888 0.327E-02 0.153E-01 RMM: 8 -0.339338953633E+03 0.14260E-03 -0.78425E-05 3549 0.254E-02 0.442E-02 RMM: 9 -0.339338950990E+03 0.26425E-05 -0.17400E-05 2549 0.119E-02 5014 T= 6871. E= 0.70064416E+03 F= 0.64379968E+03 E0= 0.67378509E+03 EK= 0.56844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339831673302E+03 -0.49272E+00 -0.27137E-01 9036 0.240E+01 0.433E-01 RMM: 2 -0.339863404643E+03 -0.31731E-01 -0.20030E-01 5260 0.952E-01 0.156E+00 RMM: 3 -0.339845652091E+03 0.17753E-01 -0.16681E-02 5421 0.282E-01 0.321E-01 RMM: 4 -0.339846676439E+03 -0.10243E-02 -0.31695E-03 5281 0.132E-01 0.523E-01 RMM: 5 -0.339845055343E+03 0.16211E-02 -0.99814E-04 4599 0.817E-02 0.205E-01 RMM: 6 -0.339844811663E+03 0.24368E-03 -0.26242E-04 3893 0.407E-02 0.901E-02 RMM: 7 -0.339844918873E+03 -0.10721E-03 -0.15644E-04 3889 0.329E-02 0.156E-01 RMM: 8 -0.339844764872E+03 0.15400E-03 -0.79973E-05 3630 0.258E-02 0.399E-02 RMM: 9 -0.339844766524E+03 -0.16519E-05 -0.19136E-05 2581 0.125E-02 5015 T= 6979. E= 0.70140661E+03 F= 0.64367029E+03 E0= 0.67365581E+03 EK= 0.57736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340559730915E+03 -0.71497E+00 -0.28088E-01 8940 0.240E+01 0.423E-01 RMM: 2 -0.340588994854E+03 -0.29264E-01 -0.19894E-01 5328 0.942E-01 0.143E+00 RMM: 3 -0.340573805278E+03 0.15190E-01 -0.15656E-02 5428 0.271E-01 0.294E-01 RMM: 4 -0.340574721157E+03 -0.91588E-03 -0.31299E-03 5304 0.133E-01 0.495E-01 RMM: 5 -0.340573293841E+03 0.14273E-02 -0.10200E-03 4604 0.839E-02 0.211E-01 RMM: 6 -0.340573041593E+03 0.25225E-03 -0.25354E-04 3898 0.408E-02 0.919E-02 RMM: 7 -0.340573106033E+03 -0.64440E-04 -0.14051E-04 3873 0.313E-02 0.137E-01 RMM: 8 -0.340572992916E+03 0.11312E-03 -0.66387E-05 3453 0.237E-02 0.406E-02 RMM: 9 -0.340572994039E+03 -0.11231E-05 -0.16070E-05 2526 0.113E-02 5016 T= 6913. E= 0.70050417E+03 F= 0.64331835E+03 E0= 0.67330791E+03 EK= 0.57186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341480728020E+03 -0.90774E+00 -0.26809E-01 8808 0.237E+01 0.392E-01 RMM: 2 -0.341502497752E+03 -0.21770E-01 -0.18074E-01 5379 0.890E-01 0.107E+00 RMM: 3 -0.341493618267E+03 0.88795E-02 -0.13574E-02 5442 0.258E-01 0.318E-01 RMM: 4 -0.341494617447E+03 -0.99918E-03 -0.24330E-03 5158 0.118E-01 0.517E-01 RMM: 5 -0.341492942316E+03 0.16751E-02 -0.99491E-04 4607 0.835E-02 0.159E-01 RMM: 6 -0.341492857759E+03 0.84557E-04 -0.27123E-04 3897 0.416E-02 0.119E-01 RMM: 7 -0.341492887523E+03 -0.29764E-04 -0.12016E-04 3878 0.304E-02 0.136E-01 RMM: 8 -0.341492770546E+03 0.11698E-03 -0.52699E-05 3339 0.213E-02 0.367E-02 RMM: 9 -0.341492774633E+03 -0.40873E-05 -0.17283E-05 2526 0.118E-02 5017 T= 6698. E= 0.69818629E+03 F= 0.64277979E+03 E0= 0.67277971E+03 EK= 0.55407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342567011984E+03 -0.10742E+01 -0.24812E-01 8796 0.233E+01 0.398E-01 RMM: 2 -0.342588884158E+03 -0.21872E-01 -0.16013E-01 5413 0.851E-01 0.120E+00 RMM: 3 -0.342578037538E+03 0.10847E-01 -0.12482E-02 5459 0.248E-01 0.283E-01 RMM: 4 -0.342578837457E+03 -0.79992E-03 -0.25786E-03 5217 0.123E-01 0.470E-01 RMM: 5 -0.342577570359E+03 0.12671E-02 -0.98437E-04 4608 0.844E-02 0.211E-01 RMM: 6 -0.342577339524E+03 0.23083E-03 -0.26969E-04 3895 0.424E-02 0.107E-01 RMM: 7 -0.342577393128E+03 -0.53604E-04 -0.14324E-04 3877 0.334E-02 0.141E-01 RMM: 8 -0.342577269238E+03 0.12389E-03 -0.65525E-05 3463 0.240E-02 0.350E-02 RMM: 9 -0.342577275975E+03 -0.67376E-05 -0.16416E-05 2525 0.116E-02 5018 T= 6420. E= 0.69519302E+03 F= 0.64208525E+03 E0= 0.67210159E+03 EK= 0.53108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343798612114E+03 -0.12213E+01 -0.22209E-01 8580 0.229E+01 0.390E-01 RMM: 2 -0.343818201874E+03 -0.19590E-01 -0.14711E-01 5428 0.824E-01 0.112E+00 RMM: 3 -0.343808658347E+03 0.95435E-02 -0.11720E-02 5384 0.246E-01 0.303E-01 RMM: 4 -0.343809546248E+03 -0.88790E-03 -0.23259E-03 5179 0.117E-01 0.492E-01 RMM: 5 -0.343808116498E+03 0.14298E-02 -0.10222E-03 4610 0.857E-02 0.201E-01 RMM: 6 -0.343807926962E+03 0.18954E-03 -0.32563E-04 3910 0.466E-02 0.115E-01 RMM: 7 -0.343808002556E+03 -0.75594E-04 -0.14172E-04 3881 0.337E-02 0.157E-01 RMM: 8 -0.343807846210E+03 0.15635E-03 -0.66703E-05 3484 0.242E-02 0.392E-02 RMM: 9 -0.343807849182E+03 -0.29721E-05 -0.17462E-05 2542 0.120E-02 5019 T= 6178. E= 0.69236364E+03 F= 0.64125470E+03 E0= 0.67129409E+03 EK= 0.51109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345162825108E+03 -0.13550E+01 -0.19650E-01 8832 0.227E+01 0.406E-01 RMM: 2 -0.345183344324E+03 -0.20519E-01 -0.12842E-01 5258 0.783E-01 0.131E+00 RMM: 3 -0.345171003967E+03 0.12340E-01 -0.11696E-02 5410 0.241E-01 0.283E-01 RMM: 4 -0.345171911344E+03 -0.90738E-03 -0.26560E-03 5230 0.126E-01 0.493E-01 RMM: 5 -0.345170564694E+03 0.13466E-02 -0.10302E-03 4606 0.860E-02 0.224E-01 RMM: 6 -0.345170296801E+03 0.26789E-03 -0.30958E-04 3931 0.457E-02 0.107E-01 RMM: 7 -0.345170364707E+03 -0.67906E-04 -0.15109E-04 3876 0.352E-02 0.149E-01 RMM: 8 -0.345170225537E+03 0.13917E-03 -0.65744E-05 3459 0.241E-02 0.359E-02 RMM: 9 -0.345170232015E+03 -0.64780E-05 -0.17188E-05 2535 0.118E-02 5020 T= 6046. E= 0.69031742E+03 F= 0.64030099E+03 E0= 0.67036798E+03 EK= 0.50016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346634853560E+03 -0.14646E+01 -0.18560E-01 8568 0.227E+01 0.410E-01 RMM: 2 -0.346653937731E+03 -0.19084E-01 -0.12018E-01 5168 0.766E-01 0.128E+00 RMM: 3 -0.346642434922E+03 0.11503E-01 -0.11613E-02 5375 0.246E-01 0.313E-01 RMM: 4 -0.346643421271E+03 -0.98635E-03 -0.25530E-03 5233 0.122E-01 0.510E-01 RMM: 5 -0.346641934804E+03 0.14865E-02 -0.10468E-03 4604 0.865E-02 0.227E-01 RMM: 6 -0.346641641344E+03 0.29346E-03 -0.31278E-04 3904 0.460E-02 0.943E-02 RMM: 7 -0.346641743266E+03 -0.10192E-03 -0.14128E-04 3877 0.328E-02 0.157E-01 RMM: 8 -0.346641586349E+03 0.15692E-03 -0.67808E-05 3485 0.244E-02 0.350E-02 RMM: 9 -0.346641591738E+03 -0.53896E-05 -0.17912E-05 2543 0.120E-02 5021 T= 6056. E= 0.68933952E+03 F= 0.63924336E+03 E0= 0.66934196E+03 EK= 0.50096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348172178693E+03 -0.15306E+01 -0.17141E-01 8484 0.230E+01 0.406E-01 RMM: 2 -0.348187239217E+03 -0.15061E-01 -0.97607E-02 5172 0.698E-01 0.117E+00 RMM: 3 -0.348177754386E+03 0.94848E-02 -0.96532E-03 5384 0.221E-01 0.296E-01 RMM: 4 -0.348178940163E+03 -0.11858E-02 -0.26668E-03 5148 0.126E-01 0.535E-01 RMM: 5 -0.348177199511E+03 0.17407E-02 -0.10492E-03 4604 0.865E-02 0.182E-01 RMM: 6 -0.348177034991E+03 0.16452E-03 -0.23472E-04 3892 0.396E-02 0.101E-01 RMM: 7 -0.348177085124E+03 -0.50132E-04 -0.11320E-04 3839 0.299E-02 0.135E-01 RMM: 8 -0.348176970590E+03 0.11453E-03 -0.52548E-05 3346 0.216E-02 0.319E-02 RMM: 9 -0.348176976945E+03 -0.63552E-05 -0.15142E-05 2511 0.109E-02 5022 T= 6197. E= 0.68938522E+03 F= 0.63812236E+03 E0= 0.66825389E+03 EK= 0.51263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349701915428E+03 -0.15249E+01 -0.16915E-01 8460 0.234E+01 0.424E-01 RMM: 2 -0.349716811438E+03 -0.14896E-01 -0.91375E-02 5162 0.683E-01 0.122E+00 RMM: 3 -0.349706726687E+03 0.10085E-01 -0.98310E-03 5379 0.226E-01 0.313E-01 RMM: 4 -0.349708100224E+03 -0.13735E-02 -0.26181E-03 5198 0.124E-01 0.561E-01 RMM: 5 -0.349706197720E+03 0.19025E-02 -0.10267E-03 4596 0.856E-02 0.211E-01 RMM: 6 -0.349705934787E+03 0.26293E-03 -0.25333E-04 3892 0.415E-02 0.802E-02 RMM: 7 -0.349706023136E+03 -0.88349E-04 -0.11568E-04 3819 0.288E-02 0.143E-01 RMM: 8 -0.349705893653E+03 0.12948E-03 -0.57131E-05 3393 0.225E-02 0.331E-02 RMM: 9 -0.349705898882E+03 -0.52286E-05 -0.17083E-05 2526 0.117E-02 5023 T= 6419. E= 0.69010521E+03 F= 0.63700492E+03 E0= 0.66716954E+03 EK= 0.53100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351137880310E+03 -0.14320E+01 -0.17430E-01 8232 0.239E+01 0.411E-01 RMM: 2 -0.351149099102E+03 -0.11219E-01 -0.90064E-02 5211 0.675E-01 0.981E-01 RMM: 3 -0.351142836629E+03 0.62625E-02 -0.91786E-03 5393 0.212E-01 0.329E-01 RMM: 4 -0.351144147580E+03 -0.13110E-02 -0.24886E-03 5107 0.121E-01 0.568E-01 RMM: 5 -0.351142082351E+03 0.20652E-02 -0.11075E-03 4604 0.890E-02 0.140E-01 RMM: 6 -0.351142012146E+03 0.70205E-04 -0.19187E-04 3884 0.352E-02 0.104E-01 RMM: 7 -0.351142023265E+03 -0.11120E-04 -0.81282E-05 3627 0.252E-02 5024 T= 6640. E= 0.69090544E+03 F= 0.63597588E+03 E0= 0.66617106E+03 EK= 0.54930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352396741098E+03 -0.12547E+01 -0.17932E-01 8052 0.243E+01 0.430E-01 RMM: 2 -0.352408614335E+03 -0.11873E-01 -0.89417E-02 5243 0.672E-01 0.104E+00 RMM: 3 -0.352401483140E+03 0.71312E-02 -0.87390E-03 5414 0.206E-01 0.331E-01 RMM: 4 -0.352402867276E+03 -0.13841E-02 -0.26447E-03 5161 0.126E-01 0.580E-01 RMM: 5 -0.352400714058E+03 0.21532E-02 -0.12065E-03 4604 0.931E-02 0.148E-01 RMM: 6 -0.352400644305E+03 0.69753E-04 -0.20492E-04 3879 0.361E-02 0.114E-01 RMM: 7 -0.352400635734E+03 0.85713E-05 -0.99228E-05 3835 0.274E-02 5025 T= 6771. E= 0.69113124E+03 F= 0.63512087E+03 E0= 0.66534299E+03 EK= 0.56010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353421217412E+03 -0.10206E+01 -0.17809E-01 8016 0.245E+01 0.399E-01 RMM: 2 -0.353430370179E+03 -0.91528E-02 -0.86808E-02 5242 0.659E-01 0.816E-01 RMM: 3 -0.353426091523E+03 0.42787E-02 -0.86609E-03 5383 0.204E-01 0.348E-01 RMM: 4 -0.353427131953E+03 -0.10404E-02 -0.20486E-03 4977 0.111E-01 0.537E-01 RMM: 5 -0.353425278719E+03 0.18532E-02 -0.92225E-04 4610 0.804E-02 0.154E-01 RMM: 6 -0.353425184013E+03 0.94706E-04 -0.23950E-04 3899 0.394E-02 0.104E-01 RMM: 7 -0.353425180010E+03 0.40028E-05 -0.80108E-05 3622 0.259E-02 5026 T= 6754. E= 0.69037021E+03 F= 0.63449923E+03 E0= 0.66474314E+03 EK= 0.55871E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354201988230E+03 -0.77680E+00 -0.17172E-01 7884 0.243E+01 0.416E-01 RMM: 2 -0.354216527176E+03 -0.14539E-01 -0.84585E-02 5250 0.653E-01 0.125E+00 RMM: 3 -0.354206109032E+03 0.10418E-01 -0.87950E-03 5393 0.211E-01 0.295E-01 RMM: 4 -0.354207381976E+03 -0.12729E-02 -0.26882E-03 5199 0.127E-01 0.544E-01 RMM: 5 -0.354205560774E+03 0.18212E-02 -0.11340E-03 4612 0.903E-02 0.189E-01 RMM: 6 -0.354205386955E+03 0.17382E-03 -0.28065E-04 3916 0.433E-02 0.105E-01 RMM: 7 -0.354205451682E+03 -0.64728E-04 -0.11820E-04 3863 0.300E-02 0.145E-01 RMM: 8 -0.354205319523E+03 0.13216E-03 -0.54650E-05 3360 0.219E-02 0.390E-02 RMM: 9 -0.354205324202E+03 -0.46796E-05 -0.19589E-05 2556 0.123E-02 5027 T= 6596. E= 0.68869277E+03 F= 0.63412466E+03 E0= 0.66438480E+03 EK= 0.54568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354769837087E+03 -0.56452E+00 -0.16643E-01 8016 0.239E+01 0.353E-01 RMM: 2 -0.354778124011E+03 -0.82869E-02 -0.80708E-02 5197 0.619E-01 0.724E-01 RMM: 3 -0.354774467474E+03 0.36565E-02 -0.72455E-03 5407 0.186E-01 0.315E-01 RMM: 4 -0.354775290701E+03 -0.82323E-03 -0.18662E-03 4915 0.109E-01 0.488E-01 RMM: 5 -0.354773780320E+03 0.15104E-02 -0.84724E-04 4609 0.773E-02 0.153E-01 RMM: 6 -0.354773711360E+03 0.68961E-04 -0.25495E-04 3931 0.409E-02 0.119E-01 RMM: 7 -0.354773726662E+03 -0.15303E-04 -0.97161E-05 3742 0.288E-02 5028 T= 6364. E= 0.68661631E+03 F= 0.63396694E+03 E0= 0.66423624E+03 EK= 0.52649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355187919406E+03 -0.41421E+00 -0.16058E-01 7896 0.234E+01 0.417E-01 RMM: 2 -0.355198830745E+03 -0.10911E-01 -0.73804E-02 5224 0.619E-01 0.107E+00 RMM: 3 -0.355191454640E+03 0.73761E-02 -0.77634E-03 5420 0.196E-01 0.333E-01 RMM: 4 -0.355192643948E+03 -0.11893E-02 -0.26276E-03 5069 0.129E-01 0.558E-01 RMM: 5 -0.355190713800E+03 0.19301E-02 -0.13038E-03 4612 0.971E-02 0.186E-01 RMM: 6 -0.355190627443E+03 0.86357E-04 -0.32320E-04 3945 0.459E-02 0.152E-01 RMM: 7 -0.355190599058E+03 0.28385E-04 -0.15779E-04 3884 0.368E-02 0.141E-01 RMM: 8 -0.355190479991E+03 0.11907E-03 -0.66608E-05 3465 0.238E-02 0.412E-02 RMM: 9 -0.355190504860E+03 -0.24868E-04 -0.25954E-05 2746 0.141E-02 0.707E-02 RMM: 10 -0.355190489326E+03 0.15534E-04 -0.19382E-05 2532 0.139E-02 5029 T= 6147. E= 0.68482003E+03 F= 0.63396630E+03 E0= 0.66423980E+03 EK= 0.50854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355518228663E+03 -0.32772E+00 -0.15360E-01 7728 0.231E+01 0.324E-01 RMM: 2 -0.355525606993E+03 -0.73783E-02 -0.71110E-02 5198 0.589E-01 0.696E-01 RMM: 3 -0.355522375896E+03 0.32311E-02 -0.66114E-03 5512 0.170E-01 0.280E-01 RMM: 4 -0.355523034296E+03 -0.65840E-03 -0.16011E-03 4735 0.101E-01 0.441E-01 RMM: 5 -0.355521847810E+03 0.11865E-02 -0.79938E-04 4594 0.758E-02 0.166E-01 RMM: 6 -0.355521729298E+03 0.11851E-03 -0.24445E-04 3913 0.404E-02 0.102E-01 RMM: 7 -0.355521756561E+03 -0.27263E-04 -0.85880E-05 3679 0.277E-02 0.123E-01 RMM: 8 -0.355521660786E+03 0.95775E-04 -0.32822E-05 3036 0.177E-02 0.270E-02 RMM: 9 -0.355521663147E+03 -0.23612E-05 -0.10150E-05 2467 0.887E-03 5030 T= 6020. E= 0.68385957E+03 F= 0.63405453E+03 E0= 0.66432732E+03 EK= 0.49805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355821583256E+03 -0.29992E+00 -0.15109E-01 8148 0.229E+01 0.384E-01 RMM: 2 -0.355828973656E+03 -0.73904E-02 -0.59282E-02 5306 0.541E-01 0.873E-01 RMM: 3 -0.355824014413E+03 0.49592E-02 -0.54762E-03 5398 0.165E-01 0.296E-01 RMM: 4 -0.355825293183E+03 -0.12788E-02 -0.20963E-03 4811 0.116E-01 0.544E-01 RMM: 5 -0.355823396450E+03 0.18967E-02 -0.10071E-03 4598 0.846E-02 0.147E-01 RMM: 6 -0.355823353179E+03 0.43271E-04 -0.26302E-04 3938 0.415E-02 0.129E-01 RMM: 7 -0.355823350542E+03 0.26368E-05 -0.10289E-04 3808 0.296E-02 5031 T= 6026. E= 0.68402492E+03 F= 0.63417145E+03 E0= 0.66443823E+03 EK= 0.49853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356127113302E+03 -0.30376E+00 -0.15088E-01 8100 0.230E+01 0.405E-01 RMM: 2 -0.356134624137E+03 -0.75108E-02 -0.61323E-02 5252 0.565E-01 0.892E-01 RMM: 3 -0.356129803092E+03 0.48210E-02 -0.67257E-03 5393 0.185E-01 0.345E-01 RMM: 4 -0.356131059591E+03 -0.12565E-02 -0.21940E-03 4866 0.116E-01 0.566E-01 RMM: 5 -0.356129059275E+03 0.20003E-02 -0.10931E-03 4603 0.881E-02 0.173E-01 RMM: 6 -0.356128969393E+03 0.89882E-04 -0.27561E-04 3897 0.421E-02 0.133E-01 RMM: 7 -0.356128966142E+03 0.32511E-05 -0.12978E-04 3866 0.332E-02 5032 T= 6168. E= 0.68530290E+03 F= 0.63427895E+03 E0= 0.66453477E+03 EK= 0.51024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356444713511E+03 -0.31574E+00 -0.15222E-01 8004 0.234E+01 0.375E-01 RMM: 2 -0.356453027892E+03 -0.83144E-02 -0.57565E-02 5327 0.537E-01 0.960E-01 RMM: 3 -0.356447228214E+03 0.57997E-02 -0.62106E-03 5351 0.181E-01 0.312E-01 RMM: 4 -0.356448572246E+03 -0.13440E-02 -0.19408E-03 4748 0.109E-01 0.553E-01 RMM: 5 -0.356446724567E+03 0.18477E-02 -0.81749E-04 4588 0.756E-02 0.179E-01 RMM: 6 -0.356446557239E+03 0.16733E-03 -0.26983E-04 3917 0.419E-02 0.909E-02 RMM: 7 -0.356446606670E+03 -0.49431E-04 -0.83901E-05 3609 0.262E-02 0.125E-01 RMM: 8 -0.356446510602E+03 0.96068E-04 -0.37115E-05 3095 0.187E-02 0.332E-02 RMM: 9 -0.356446517710E+03 -0.71076E-05 -0.16384E-05 2520 0.112E-02 5033 T= 6407. E= 0.68736867E+03 F= 0.63436538E+03 E0= 0.66460570E+03 EK= 0.53003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356763335992E+03 -0.31683E+00 -0.15938E-01 8352 0.238E+01 0.353E-01 RMM: 2 -0.356772227075E+03 -0.88911E-02 -0.65370E-02 5266 0.573E-01 0.919E-01 RMM: 3 -0.356766591682E+03 0.56354E-02 -0.63317E-03 5374 0.177E-01 0.254E-01 RMM: 4 -0.356767851796E+03 -0.12601E-02 -0.17055E-03 4689 0.994E-02 0.523E-01 RMM: 5 -0.356766132127E+03 0.17197E-02 -0.77227E-04 4583 0.734E-02 0.119E-01 RMM: 6 -0.356766079330E+03 0.52797E-04 -0.15884E-04 3877 0.316E-02 0.875E-02 RMM: 7 -0.356766096249E+03 -0.16919E-04 -0.55840E-05 3350 0.211E-02 5034 T= 6668. E= 0.68959997E+03 F= 0.63443928E+03 E0= 0.66465886E+03 EK= 0.55161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357063712464E+03 -0.29763E+00 -0.16629E-01 8148 0.242E+01 0.409E-01 RMM: 2 -0.357072528264E+03 -0.88158E-02 -0.70568E-02 5277 0.614E-01 0.949E-01 RMM: 3 -0.357067056366E+03 0.54719E-02 -0.78632E-03 5372 0.200E-01 0.314E-01 RMM: 4 -0.357068485473E+03 -0.14291E-02 -0.20451E-03 4854 0.110E-01 0.574E-01 RMM: 5 -0.357066417362E+03 0.20681E-02 -0.89993E-04 4594 0.784E-02 0.160E-01 RMM: 6 -0.357066321782E+03 0.95580E-04 -0.22901E-04 3883 0.378E-02 0.114E-01 RMM: 7 -0.357066315366E+03 0.64165E-05 -0.87295E-05 3686 0.265E-02 5035 T= 6853. E= 0.69121436E+03 F= 0.63452335E+03 E0= 0.66471788E+03 EK= 0.56691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357324289247E+03 -0.25797E+00 -0.17318E-01 7980 0.244E+01 0.378E-01 RMM: 2 -0.357335328928E+03 -0.11040E-01 -0.77559E-02 5236 0.626E-01 0.102E+00 RMM: 3 -0.357328606349E+03 0.67226E-02 -0.75749E-03 5397 0.191E-01 0.285E-01 RMM: 4 -0.357329919905E+03 -0.13136E-02 -0.21247E-03 4896 0.112E-01 0.541E-01 RMM: 5 -0.357328146046E+03 0.17739E-02 -0.93319E-04 4592 0.813E-02 0.167E-01 RMM: 6 -0.357328009535E+03 0.13651E-03 -0.21939E-04 3889 0.376E-02 0.922E-02 RMM: 7 -0.357328060094E+03 -0.50559E-04 -0.85812E-05 3689 0.261E-02 0.123E-01 RMM: 8 -0.357327968196E+03 0.91898E-04 -0.42613E-05 3164 0.199E-02 0.393E-02 RMM: 9 -0.357327972237E+03 -0.40406E-05 -0.18159E-05 2527 0.120E-02 5036 T= 6884. E= 0.69159121E+03 F= 0.63464026E+03 E0= 0.66480662E+03 EK= 0.56951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357546589183E+03 -0.21862E+00 -0.17389E-01 8112 0.244E+01 0.353E-01 RMM: 2 -0.357559085282E+03 -0.12496E-01 -0.83238E-02 5191 0.643E-01 0.106E+00 RMM: 3 -0.357551440340E+03 0.76449E-02 -0.85328E-03 5376 0.205E-01 0.270E-01 RMM: 4 -0.357552506457E+03 -0.10661E-02 -0.21093E-03 4967 0.112E-01 0.490E-01 RMM: 5 -0.357551102893E+03 0.14036E-02 -0.78678E-04 4602 0.744E-02 0.192E-01 RMM: 6 -0.357550885603E+03 0.21729E-03 -0.23172E-04 3905 0.392E-02 0.774E-02 RMM: 7 -0.357550945442E+03 -0.59840E-04 -0.95174E-05 3696 0.267E-02 0.125E-01 RMM: 8 -0.357550847005E+03 0.98438E-04 -0.44644E-05 3243 0.206E-02 0.312E-02 RMM: 9 -0.357550845272E+03 0.17327E-05 -0.92901E-06 2477 0.856E-03 5037 T= 6748. E= 0.69061761E+03 F= 0.63479462E+03 E0= 0.66493218E+03 EK= 0.55823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357754677861E+03 -0.20383E+00 -0.16869E-01 7956 0.240E+01 0.376E-01 RMM: 2 -0.357767694686E+03 -0.13017E-01 -0.77896E-02 5262 0.638E-01 0.115E+00 RMM: 3 -0.357758770653E+03 0.89240E-02 -0.77518E-03 5398 0.197E-01 0.241E-01 RMM: 4 -0.357759942912E+03 -0.11723E-02 -0.22141E-03 4998 0.116E-01 0.506E-01 RMM: 5 -0.357758452849E+03 0.14901E-02 -0.93759E-04 4608 0.827E-02 0.192E-01 RMM: 6 -0.357758261396E+03 0.19145E-03 -0.22505E-04 3887 0.380E-02 0.969E-02 RMM: 7 -0.357758264118E+03 -0.27225E-05 -0.10125E-04 3840 0.303E-02 5038 T= 6502. E= 0.68875896E+03 F= 0.63496685E+03 E0= 0.66507680E+03 EK= 0.53792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357986748883E+03 -0.22849E+00 -0.16251E-01 7776 0.236E+01 0.380E-01 RMM: 2 -0.357996850644E+03 -0.10102E-01 -0.76691E-02 5299 0.628E-01 0.945E-01 RMM: 3 -0.357990908855E+03 0.59418E-02 -0.71803E-03 5421 0.189E-01 0.305E-01 RMM: 4 -0.357991909654E+03 -0.10008E-02 -0.21215E-03 4900 0.114E-01 0.510E-01 RMM: 5 -0.357990323797E+03 0.15859E-02 -0.11302E-03 4608 0.909E-02 0.163E-01 RMM: 6 -0.357990268146E+03 0.55652E-04 -0.25449E-04 3889 0.407E-02 0.140E-01 RMM: 7 -0.357990241474E+03 0.26672E-04 -0.14481E-04 3873 0.363E-02 0.127E-01 RMM: 8 -0.357990145960E+03 0.95514E-04 -0.58200E-05 3393 0.226E-02 0.395E-02 RMM: 9 -0.357990168677E+03 -0.22718E-04 -0.21108E-05 2591 0.130E-02 0.644E-02 RMM: 10 -0.357990158221E+03 0.10456E-04 -0.18013E-05 2519 0.133E-02 5039 T= 6245. E= 0.68678357E+03 F= 0.63511884E+03 E0= 0.66520356E+03 EK= 0.51665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358288786317E+03 -0.29862E+00 -0.15534E-01 8016 0.232E+01 0.297E-01 RMM: 2 -0.358296378640E+03 -0.75923E-02 -0.70562E-02 5298 0.603E-01 0.689E-01 RMM: 3 -0.358293053313E+03 0.33253E-02 -0.61235E-03 5516 0.165E-01 0.231E-01 RMM: 4 -0.358293760861E+03 -0.70755E-03 -0.14102E-03 4656 0.951E-02 0.425E-01 RMM: 5 -0.358292715815E+03 0.10450E-02 -0.71113E-04 4608 0.727E-02 0.161E-01 RMM: 6 -0.358292591962E+03 0.12385E-03 -0.22476E-04 3887 0.386E-02 0.909E-02 RMM: 7 -0.358292604609E+03 -0.12647E-04 -0.83813E-05 3706 0.281E-02 5040 T= 6067. E= 0.68539424E+03 F= 0.63520377E+03 E0= 0.66526836E+03 EK= 0.50190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358700768831E+03 -0.40818E+00 -0.15155E-01 8196 0.229E+01 0.396E-01 RMM: 2 -0.358708711347E+03 -0.79425E-02 -0.67455E-02 5404 0.588E-01 0.866E-01 RMM: 3 -0.358703788481E+03 0.49229E-02 -0.60334E-03 5416 0.174E-01 0.305E-01 RMM: 4 -0.358705206046E+03 -0.14176E-02 -0.22981E-03 4928 0.121E-01 0.576E-01 RMM: 5 -0.358703122151E+03 0.20839E-02 -0.12002E-03 4604 0.924E-02 0.148E-01 RMM: 6 -0.358703097016E+03 0.25136E-04 -0.24527E-04 3890 0.397E-02 0.141E-01 RMM: 7 -0.358703056723E+03 0.40293E-04 -0.11593E-04 3846 0.325E-02 0.118E-01 RMM: 8 -0.358702972407E+03 0.84316E-04 -0.47510E-05 3265 0.204E-02 0.382E-02 RMM: 9 -0.358702994077E+03 -0.21669E-04 -0.22477E-05 2622 0.133E-02 0.648E-02 RMM: 10 -0.358702979492E+03 0.14584E-04 -0.17569E-05 2518 0.134E-02 5041 T= 6024. E= 0.68501597E+03 F= 0.63518127E+03 E0= 0.66522897E+03 EK= 0.49835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359239095683E+03 -0.53610E+00 -0.15703E-01 8124 0.230E+01 0.298E-01 RMM: 2 -0.359245724352E+03 -0.66287E-02 -0.72569E-02 5172 0.607E-01 0.548E-01 RMM: 3 -0.359243711163E+03 0.20132E-02 -0.65419E-03 5608 0.164E-01 0.264E-01 RMM: 4 -0.359244262226E+03 -0.55106E-03 -0.12836E-03 4672 0.898E-02 0.413E-01 RMM: 5 -0.359243205353E+03 0.10569E-02 -0.59906E-04 4579 0.650E-02 0.117E-01 RMM: 6 -0.359243153453E+03 0.51900E-04 -0.15727E-04 3883 0.320E-02 0.830E-02 RMM: 7 -0.359243142986E+03 0.10467E-04 -0.51290E-05 3300 0.226E-02 5042 T= 6130. E= 0.68574070E+03 F= 0.63502538E+03 E0= 0.66506118E+03 EK= 0.50715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359912812024E+03 -0.66966E+00 -0.15695E-01 8304 0.232E+01 0.391E-01 RMM: 2 -0.359919749752E+03 -0.69377E-02 -0.69846E-02 5298 0.602E-01 0.748E-01 RMM: 3 -0.359916395171E+03 0.33546E-02 -0.68088E-03 5457 0.176E-01 0.327E-01 RMM: 4 -0.359917540950E+03 -0.11458E-02 -0.19980E-03 4833 0.110E-01 0.548E-01 RMM: 5 -0.359915574120E+03 0.19668E-02 -0.10508E-03 4608 0.853E-02 0.107E-01 RMM: 6 -0.359915609156E+03 -0.35036E-04 -0.19956E-04 3881 0.354E-02 0.135E-01 RMM: 7 -0.359915546842E+03 0.62314E-04 -0.72175E-05 3551 0.250E-02 0.984E-02 RMM: 8 -0.359915490762E+03 0.56080E-04 -0.35266E-05 3060 0.174E-02 0.351E-02 RMM: 9 -0.359915512308E+03 -0.21546E-04 -0.21181E-05 2577 0.129E-02 0.628E-02 RMM: 10 -0.359915494738E+03 0.17570E-04 -0.14919E-05 2505 0.126E-02 5043 T= 6358. E= 0.68732421E+03 F= 0.63473011E+03 E0= 0.66475799E+03 EK= 0.52594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360702181652E+03 -0.78667E+00 -0.16584E-01 8136 0.237E+01 0.319E-01 RMM: 2 -0.360709671114E+03 -0.74895E-02 -0.81079E-02 5201 0.634E-01 0.590E-01 RMM: 3 -0.360707510698E+03 0.21604E-02 -0.73880E-03 5544 0.169E-01 0.302E-01 RMM: 4 -0.360708044438E+03 -0.53374E-03 -0.14043E-03 4723 0.926E-02 0.436E-01 RMM: 5 -0.360706821440E+03 0.12230E-02 -0.65226E-04 4583 0.664E-02 0.988E-02 RMM: 6 -0.360706790568E+03 0.30872E-04 -0.11652E-04 3828 0.272E-02 0.781E-02 RMM: 7 -0.360706790030E+03 0.53820E-06 -0.40177E-05 3129 0.187E-02 5044 T= 6634. E= 0.68918924E+03 F= 0.63430698E+03 E0= 0.66433229E+03 EK= 0.54882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361589338812E+03 -0.88255E+00 -0.16855E-01 8268 0.240E+01 0.384E-01 RMM: 2 -0.361596249320E+03 -0.69105E-02 -0.68652E-02 5384 0.605E-01 0.754E-01 RMM: 3 -0.361592833264E+03 0.34161E-02 -0.62543E-03 5426 0.176E-01 0.327E-01 RMM: 4 -0.361593941066E+03 -0.11078E-02 -0.18134E-03 4734 0.103E-01 0.541E-01 RMM: 5 -0.361592044028E+03 0.18970E-02 -0.94935E-04 4604 0.804E-02 0.108E-01 RMM: 6 -0.361592047214E+03 -0.31860E-05 -0.17070E-04 3876 0.326E-02 5045 T= 6860. E= 0.69052947E+03 F= 0.63378177E+03 E0= 0.66380978E+03 EK= 0.56748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362544115937E+03 -0.95207E+00 -0.17431E-01 8448 0.243E+01 0.459E-01 RMM: 2 -0.362577967792E+03 -0.33852E-01 -0.83951E-02 5179 0.684E-01 0.213E+00 RMM: 3 -0.362548401367E+03 0.29566E-01 -0.14026E-02 5343 0.291E-01 0.380E-01 RMM: 4 -0.362548556501E+03 -0.15513E-03 -0.30333E-03 5290 0.127E-01 0.423E-01 RMM: 5 -0.362547655822E+03 0.90068E-03 -0.82487E-04 4607 0.749E-02 0.224E-01 RMM: 6 -0.362547362856E+03 0.29297E-03 -0.22900E-04 3885 0.396E-02 0.859E-02 RMM: 7 -0.362547426293E+03 -0.63437E-04 -0.12238E-04 3855 0.294E-02 0.129E-01 RMM: 8 -0.362547329854E+03 0.96438E-04 -0.53717E-05 3341 0.217E-02 0.464E-02 RMM: 9 -0.362547325843E+03 0.40110E-05 -0.17816E-05 2544 0.122E-02 5046 T= 6941. E= 0.69060540E+03 F= 0.63318154E+03 E0= 0.66322109E+03 EK= 0.57424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363557726474E+03 -0.10104E+01 -0.16735E-01 8256 0.242E+01 0.453E-01 RMM: 2 -0.363591614458E+03 -0.33888E-01 -0.78861E-02 5255 0.675E-01 0.216E+00 RMM: 3 -0.363561348533E+03 0.30266E-01 -0.13958E-02 5345 0.294E-01 0.377E-01 RMM: 4 -0.363561230997E+03 0.11754E-03 -0.30218E-03 5293 0.127E-01 0.374E-01 RMM: 5 -0.363560656152E+03 0.57484E-03 -0.69480E-04 4603 0.697E-02 0.256E-01 RMM: 6 -0.363560241771E+03 0.41438E-03 -0.20455E-04 3883 0.384E-02 0.608E-02 RMM: 7 -0.363560290753E+03 -0.48982E-04 -0.99109E-05 3693 0.259E-02 0.110E-01 RMM: 8 -0.363560214841E+03 0.75912E-04 -0.47704E-05 3249 0.212E-02 0.285E-02 RMM: 9 -0.363560214274E+03 0.56682E-06 -0.10262E-05 2476 0.915E-03 5047 T= 6844. E= 0.68914182E+03 F= 0.63252312E+03 E0= 0.66258214E+03 EK= 0.56619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364630428931E+03 -0.10702E+01 -0.16207E-01 7944 0.239E+01 0.379E-01 RMM: 2 -0.364646601141E+03 -0.16172E-01 -0.73773E-02 5188 0.632E-01 0.136E+00 RMM: 3 -0.364634474083E+03 0.12127E-01 -0.88278E-03 5369 0.219E-01 0.306E-01 RMM: 4 -0.364635049604E+03 -0.57552E-03 -0.23093E-03 5063 0.115E-01 0.435E-01 RMM: 5 -0.364633936429E+03 0.11132E-02 -0.84519E-04 4604 0.782E-02 0.187E-01 RMM: 6 -0.364633756942E+03 0.17949E-03 -0.20988E-04 3884 0.374E-02 0.972E-02 RMM: 7 -0.364633810198E+03 -0.53256E-04 -0.13252E-04 3879 0.310E-02 0.133E-01 RMM: 8 -0.364633697828E+03 0.11237E-03 -0.67000E-05 3464 0.242E-02 0.380E-02 RMM: 9 -0.364633698959E+03 -0.11311E-05 -0.15723E-05 2523 0.113E-02 5048 T= 6611. E= 0.68650173E+03 F= 0.63180777E+03 E0= 0.66189497E+03 EK= 0.54694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365779144402E+03 -0.11454E+01 -0.15353E-01 8220 0.234E+01 0.363E-01 RMM: 2 -0.365791578355E+03 -0.12434E-01 -0.67767E-02 5232 0.622E-01 0.118E+00 RMM: 3 -0.365782613471E+03 0.89649E-02 -0.73350E-03 5406 0.197E-01 0.261E-01 RMM: 4 -0.365783289876E+03 -0.67641E-03 -0.19465E-03 4833 0.107E-01 0.438E-01 RMM: 5 -0.365782204805E+03 0.10851E-02 -0.85025E-04 4603 0.789E-02 0.179E-01 RMM: 6 -0.365782058550E+03 0.14625E-03 -0.21334E-04 3896 0.381E-02 0.103E-01 RMM: 7 -0.365782104962E+03 -0.46412E-04 -0.11349E-04 3856 0.296E-02 0.134E-01 RMM: 8 -0.365781994744E+03 0.11022E-03 -0.56040E-05 3383 0.222E-02 0.343E-02 RMM: 9 -0.365781998533E+03 -0.37891E-05 -0.13655E-05 2502 0.105E-02 5049 T= 6339. E= 0.68346108E+03 F= 0.63102392E+03 E0= 0.66114822E+03 EK= 0.52437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367017655457E+03 -0.12357E+01 -0.14599E-01 8208 0.229E+01 0.352E-01 RMM: 2 -0.367028087294E+03 -0.10432E-01 -0.62459E-02 5264 0.586E-01 0.105E+00 RMM: 3 -0.367020862460E+03 0.72248E-02 -0.64707E-03 5388 0.184E-01 0.277E-01 RMM: 4 -0.367021558060E+03 -0.69560E-03 -0.19145E-03 4801 0.108E-01 0.442E-01 RMM: 5 -0.367020464198E+03 0.10939E-02 -0.85248E-04 4601 0.785E-02 0.202E-01 RMM: 6 -0.367020248955E+03 0.21524E-03 -0.24475E-04 3906 0.405E-02 0.928E-02 RMM: 7 -0.367020307843E+03 -0.58889E-04 -0.11899E-04 3856 0.307E-02 0.134E-01 RMM: 8 -0.367020195722E+03 0.11212E-03 -0.55557E-05 3386 0.221E-02 0.359E-02 RMM: 9 -0.367020197659E+03 -0.19377E-05 -0.14634E-05 2513 0.109E-02 5050 T= 6123. E= 0.68080682E+03 F= 0.63015671E+03 E0= 0.66032620E+03 EK= 0.50650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368348237303E+03 -0.13280E+01 -0.14108E-01 8040 0.227E+01 0.371E-01 RMM: 2 -0.368361044337E+03 -0.12807E-01 -0.58308E-02 5302 0.580E-01 0.126E+00 RMM: 3 -0.368350791974E+03 0.10252E-01 -0.67781E-03 5358 0.193E-01 0.258E-01 RMM: 4 -0.368351700059E+03 -0.90808E-03 -0.20731E-03 4842 0.112E-01 0.470E-01 RMM: 5 -0.368350473212E+03 0.12268E-02 -0.83976E-04 4602 0.776E-02 0.205E-01 RMM: 6 -0.368350238504E+03 0.23471E-03 -0.23513E-04 3893 0.395E-02 0.910E-02 RMM: 7 -0.368350294441E+03 -0.55937E-04 -0.12954E-04 3876 0.316E-02 0.131E-01 RMM: 8 -0.368350190309E+03 0.10413E-03 -0.57100E-05 3384 0.225E-02 0.383E-02 RMM: 9 -0.368350189255E+03 0.10535E-05 -0.13186E-05 2497 0.103E-02 5051 T= 6028. E= 0.67906670E+03 F= 0.62920203E+03 E0= 0.65942385E+03 EK= 0.49865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369752371347E+03 -0.14022E+01 -0.14364E-01 8028 0.227E+01 0.371E-01 RMM: 2 -0.369762941313E+03 -0.10570E-01 -0.57266E-02 5265 0.574E-01 0.112E+00 RMM: 3 -0.369754916636E+03 0.80247E-02 -0.69263E-03 5370 0.196E-01 0.293E-01 RMM: 4 -0.369755806254E+03 -0.88962E-03 -0.20209E-03 4832 0.110E-01 0.474E-01 RMM: 5 -0.369754517908E+03 0.12883E-02 -0.75883E-04 4606 0.724E-02 0.209E-01 RMM: 6 -0.369754270110E+03 0.24780E-03 -0.24266E-04 3898 0.404E-02 0.866E-02 RMM: 7 -0.369754346103E+03 -0.75993E-04 -0.11814E-04 3860 0.295E-02 0.138E-01 RMM: 8 -0.369754226021E+03 0.12008E-03 -0.57486E-05 3393 0.224E-02 0.370E-02 RMM: 9 -0.369754225205E+03 0.81559E-06 -0.14965E-05 2510 0.110E-02 5052 T= 6075. E= 0.67843384E+03 F= 0.62817375E+03 E0= 0.65845374E+03 EK= 0.50260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371188968109E+03 -0.14347E+01 -0.14746E-01 8148 0.229E+01 0.385E-01 RMM: 2 -0.371200389693E+03 -0.11422E-01 -0.55494E-02 5310 0.583E-01 0.122E+00 RMM: 3 -0.371191076697E+03 0.93130E-02 -0.66848E-03 5348 0.194E-01 0.267E-01 RMM: 4 -0.371192087667E+03 -0.10110E-02 -0.21989E-03 4865 0.114E-01 0.489E-01 RMM: 5 -0.371190706130E+03 0.13815E-02 -0.84040E-04 4596 0.774E-02 0.193E-01 RMM: 6 -0.371190486759E+03 0.21937E-03 -0.17976E-04 3891 0.344E-02 0.757E-02 RMM: 7 -0.371190549238E+03 -0.62479E-04 -0.11149E-04 3827 0.281E-02 0.125E-01 RMM: 8 -0.371190455076E+03 0.94161E-04 -0.51255E-05 3312 0.216E-02 0.394E-02 RMM: 9 -0.371190451060E+03 0.40162E-05 -0.11952E-05 2483 0.972E-03 5053 T= 6246. E= 0.67877963E+03 F= 0.62710971E+03 E0= 0.65745200E+03 EK= 0.51670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372589997729E+03 -0.13995E+01 -0.15120E-01 8112 0.233E+01 0.391E-01 RMM: 2 -0.372600068171E+03 -0.10070E-01 -0.56936E-02 5286 0.593E-01 0.112E+00 RMM: 3 -0.372592189179E+03 0.78790E-02 -0.76452E-03 5348 0.209E-01 0.279E-01 RMM: 4 -0.372593409834E+03 -0.12207E-02 -0.20246E-03 4835 0.110E-01 0.519E-01 RMM: 5 -0.372591761881E+03 0.16480E-02 -0.74080E-04 4599 0.706E-02 0.176E-01 RMM: 6 -0.372591591481E+03 0.17040E-03 -0.19637E-04 3895 0.360E-02 0.805E-02 RMM: 7 -0.372591662283E+03 -0.70802E-04 -0.90691E-05 3673 0.256E-02 0.133E-01 RMM: 8 -0.372591551524E+03 0.11076E-03 -0.47679E-05 3253 0.207E-02 0.358E-02 RMM: 9 -0.372591549883E+03 0.16410E-05 -0.15138E-05 2500 0.110E-02 5054 T= 6480. E= 0.67967988E+03 F= 0.62607439E+03 E0= 0.65648096E+03 EK= 0.53605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373871382758E+03 -0.12798E+01 -0.15733E-01 8124 0.237E+01 0.380E-01 RMM: 2 -0.373880989931E+03 -0.96072E-02 -0.58294E-02 5273 0.605E-01 0.108E+00 RMM: 3 -0.373873954167E+03 0.70358E-02 -0.66516E-03 5356 0.190E-01 0.291E-01 RMM: 4 -0.373874998366E+03 -0.10442E-02 -0.21422E-03 4831 0.112E-01 0.507E-01 RMM: 5 -0.373873449160E+03 0.15492E-02 -0.87111E-04 4591 0.780E-02 0.162E-01 RMM: 6 -0.373873296855E+03 0.15231E-03 -0.14199E-04 3878 0.303E-02 0.691E-02 RMM: 7 -0.373873352169E+03 -0.55315E-04 -0.94766E-05 3742 0.259E-02 0.118E-01 RMM: 8 -0.373873267214E+03 0.84955E-04 -0.43853E-05 3187 0.202E-02 0.343E-02 RMM: 9 -0.373873266580E+03 0.63418E-06 -0.11921E-05 2482 0.962E-03 5055 T= 6690. E= 0.68049357E+03 F= 0.62515134E+03 E0= 0.65562143E+03 EK= 0.55342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374945720474E+03 -0.10725E+01 -0.16201E-01 8088 0.240E+01 0.389E-01 RMM: 2 -0.374956142675E+03 -0.10422E-01 -0.59592E-02 5241 0.616E-01 0.113E+00 RMM: 3 -0.374948231355E+03 0.79113E-02 -0.75951E-03 5335 0.207E-01 0.286E-01 RMM: 4 -0.374949428691E+03 -0.11973E-02 -0.20469E-03 4905 0.110E-01 0.518E-01 RMM: 5 -0.374947771617E+03 0.16571E-02 -0.74386E-04 4593 0.707E-02 0.171E-01 RMM: 6 -0.374947609758E+03 0.16186E-03 -0.19539E-04 3891 0.362E-02 0.788E-02 RMM: 7 -0.374947680521E+03 -0.70763E-04 -0.84110E-05 3620 0.246E-02 0.132E-01 RMM: 8 -0.374947570467E+03 0.11005E-03 -0.46113E-05 3224 0.205E-02 0.338E-02 RMM: 9 -0.374947570774E+03 -0.30760E-06 -0.14225E-05 2498 0.105E-02 5056 T= 6788. E= 0.68058379E+03 F= 0.62442999E+03 E0= 0.65496004E+03 EK= 0.56154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375738494710E+03 -0.79092E+00 -0.16649E-01 8004 0.240E+01 0.373E-01 RMM: 2 -0.375750373392E+03 -0.11879E-01 -0.60971E-02 5089 0.618E-01 0.120E+00 RMM: 3 -0.375741368758E+03 0.90046E-02 -0.77570E-03 5341 0.206E-01 0.258E-01 RMM: 4 -0.375742519849E+03 -0.11511E-02 -0.21154E-03 5016 0.112E-01 0.505E-01 RMM: 5 -0.375741041747E+03 0.14781E-02 -0.79301E-04 4600 0.753E-02 0.184E-01 RMM: 6 -0.375740834196E+03 0.20755E-03 -0.16848E-04 3876 0.332E-02 0.640E-02 RMM: 7 -0.375740894707E+03 -0.60511E-04 -0.85343E-05 3647 0.249E-02 0.119E-01 RMM: 8 -0.375740808610E+03 0.86097E-04 -0.42119E-05 3180 0.200E-02 0.291E-02 RMM: 9 -0.375740813024E+03 -0.44130E-05 -0.12163E-05 2483 0.967E-03 5057 T= 6727. E= 0.67963985E+03 F= 0.62398672E+03 E0= 0.65457089E+03 EK= 0.55653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376206799691E+03 -0.46599E+00 -0.16388E-01 7932 0.238E+01 0.343E-01 RMM: 2 -0.376214940189E+03 -0.81405E-02 -0.58121E-02 4913 0.593E-01 0.898E-01 RMM: 3 -0.376209892598E+03 0.50476E-02 -0.73404E-03 5335 0.198E-01 0.275E-01 RMM: 4 -0.376210934140E+03 -0.10415E-02 -0.18264E-03 5019 0.106E-01 0.490E-01 RMM: 5 -0.376209479733E+03 0.14544E-02 -0.71061E-04 4595 0.704E-02 0.161E-01 RMM: 6 -0.376209347460E+03 0.13227E-03 -0.17954E-04 3891 0.345E-02 0.854E-02 RMM: 7 -0.376209395233E+03 -0.47773E-04 -0.83054E-05 3632 0.255E-02 0.123E-01 RMM: 8 -0.376209301300E+03 0.93933E-04 -0.42982E-05 3172 0.200E-02 0.265E-02 RMM: 9 -0.376209308996E+03 -0.76957E-05 -0.14057E-05 2494 0.105E-02 5058 T= 6529. E= 0.67787833E+03 F= 0.62386801E+03 E0= 0.65449899E+03 EK= 0.54010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376338895179E+03 -0.12959E+00 -0.15732E-01 7692 0.234E+01 0.329E-01 RMM: 2 -0.376347742669E+03 -0.88475E-02 -0.52867E-02 4873 0.558E-01 0.974E-01 RMM: 3 -0.376341536151E+03 0.62065E-02 -0.66430E-03 5369 0.187E-01 0.230E-01 RMM: 4 -0.376342485533E+03 -0.94938E-03 -0.17502E-03 4962 0.104E-01 0.462E-01 RMM: 5 -0.376341220989E+03 0.12645E-02 -0.78414E-04 4594 0.763E-02 0.150E-01 RMM: 6 -0.376341108796E+03 0.11219E-03 -0.14484E-04 3867 0.310E-02 0.787E-02 RMM: 7 -0.376341125222E+03 -0.16426E-04 -0.68258E-05 3565 0.246E-02 5059 T= 6267. E= 0.67593403E+03 F= 0.62408726E+03 E0= 0.65475657E+03 EK= 0.51847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376146377158E+03 0.19473E+00 -0.15334E-01 7764 0.230E+01 0.333E-01 RMM: 2 -0.376151475773E+03 -0.50986E-02 -0.52846E-02 4890 0.542E-01 0.613E-01 RMM: 3 -0.376149330602E+03 0.21452E-02 -0.60029E-03 5363 0.174E-01 0.312E-01 RMM: 4 -0.376150198844E+03 -0.86824E-03 -0.17292E-03 4958 0.107E-01 0.491E-01 RMM: 5 -0.376148660633E+03 0.15382E-02 -0.88556E-04 4608 0.796E-02 0.107E-01 RMM: 6 -0.376148714273E+03 -0.53640E-04 -0.19883E-04 3886 0.359E-02 0.146E-01 RMM: 7 -0.376148624052E+03 0.90221E-04 -0.96746E-05 3807 0.306E-02 0.862E-02 RMM: 8 -0.376148583670E+03 0.40383E-04 -0.26785E-05 2836 0.158E-02 0.358E-02 RMM: 9 -0.376148602759E+03 -0.19089E-04 -0.20182E-05 2553 0.127E-02 5060 T= 6033. E= 0.67454273E+03 F= 0.62463144E+03 E0= 0.65533150E+03 EK= 0.49911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375651352027E+03 0.49723E+00 -0.14987E-01 7596 0.227E+01 0.268E-01 RMM: 2 -0.375658788084E+03 -0.74361E-02 -0.54990E-02 4824 0.554E-01 0.769E-01 RMM: 3 -0.375654729353E+03 0.40587E-02 -0.62289E-03 5414 0.171E-01 0.188E-01 RMM: 4 -0.375655301528E+03 -0.57217E-03 -0.12677E-03 4738 0.906E-02 0.367E-01 RMM: 5 -0.375654502982E+03 0.79855E-03 -0.54048E-04 4587 0.632E-02 0.131E-01 RMM: 6 -0.375654422867E+03 0.80116E-04 -0.12762E-04 3858 0.293E-02 0.750E-02 RMM: 7 -0.375654435256E+03 -0.12389E-04 -0.57456E-05 3408 0.230E-02 5061 T= 5899. E= 0.67427483E+03 F= 0.62547489E+03 E0= 0.65619803E+03 EK= 0.48800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374876158854E+03 0.77826E+00 -0.15085E-01 7752 0.227E+01 0.336E-01 RMM: 2 -0.374881784431E+03 -0.56256E-02 -0.58796E-02 4922 0.564E-01 0.618E-01 RMM: 3 -0.374879555394E+03 0.22290E-02 -0.63036E-03 5404 0.172E-01 0.304E-01 RMM: 4 -0.374880427643E+03 -0.87225E-03 -0.16746E-03 4857 0.104E-01 0.489E-01 RMM: 5 -0.374878862150E+03 0.15655E-02 -0.90168E-04 4608 0.795E-02 0.925E-02 RMM: 6 -0.374878961504E+03 -0.99354E-04 -0.18397E-04 3887 0.343E-02 0.160E-01 RMM: 7 -0.374878838277E+03 0.12323E-03 -0.89477E-05 3766 0.290E-02 0.819E-02 RMM: 8 -0.374878801463E+03 0.36814E-04 -0.30073E-05 2961 0.164E-02 0.332E-02 RMM: 9 -0.374878821484E+03 -0.20020E-04 -0.18754E-05 2538 0.122E-02 0.583E-02 RMM: 10 -0.374878806252E+03 0.15232E-04 -0.13617E-05 2480 0.118E-02 5062 T= 5903. E= 0.67543044E+03 F= 0.62659296E+03 E0= 0.65733211E+03 EK= 0.48837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373835968351E+03 0.10429E+01 -0.15170E-01 7620 0.229E+01 0.246E-01 RMM: 2 -0.373841830887E+03 -0.58625E-02 -0.61784E-02 4884 0.559E-01 0.492E-01 RMM: 3 -0.373840135072E+03 0.16958E-02 -0.59973E-03 5567 0.158E-01 0.205E-01 RMM: 4 -0.373840529010E+03 -0.39394E-03 -0.95048E-04 4647 0.780E-02 0.343E-01 RMM: 5 -0.373839802937E+03 0.72607E-03 -0.44840E-04 4474 0.565E-02 0.951E-02 RMM: 6 -0.373839781702E+03 0.21235E-04 -0.98792E-05 3705 0.263E-02 0.800E-02 RMM: 7 -0.373839778783E+03 0.29190E-05 -0.39404E-05 3067 0.194E-02 5063 T= 6051. E= 0.67802335E+03 F= 0.62796292E+03 E0= 0.65871087E+03 EK= 0.50060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372554724921E+03 0.12851E+01 -0.15815E-01 7860 0.232E+01 0.328E-01 RMM: 2 -0.372562149590E+03 -0.74247E-02 -0.65656E-02 5151 0.579E-01 0.740E-01 RMM: 3 -0.372558569919E+03 0.35797E-02 -0.62181E-03 5428 0.169E-01 0.260E-01 RMM: 4 -0.372559433153E+03 -0.86323E-03 -0.15412E-03 4696 0.970E-02 0.462E-01 RMM: 5 -0.372558058606E+03 0.13745E-02 -0.73075E-04 4602 0.703E-02 0.103E-01 RMM: 6 -0.372558072759E+03 -0.14153E-04 -0.15268E-04 3884 0.309E-02 5064 T= 6311. E= 0.68176549E+03 F= 0.62956065E+03 E0= 0.66031015E+03 EK= 0.52205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371064564624E+03 0.14935E+01 -0.16865E-01 7932 0.237E+01 0.376E-01 RMM: 2 -0.371091683559E+03 -0.27119E-01 -0.86593E-02 5068 0.669E-01 0.179E+00 RMM: 3 -0.371070055892E+03 0.21628E-01 -0.12854E-02 5335 0.269E-01 0.302E-01 RMM: 4 -0.371069988057E+03 0.67835E-04 -0.19174E-03 4832 0.959E-02 0.297E-01 RMM: 5 -0.371069687838E+03 0.30022E-03 -0.52861E-04 4540 0.580E-02 0.222E-01 RMM: 6 -0.371069397121E+03 0.29072E-03 -0.23409E-04 3896 0.401E-02 0.761E-02 RMM: 7 -0.371069464953E+03 -0.67832E-04 -0.98211E-05 3759 0.268E-02 0.126E-01 RMM: 8 -0.371069374704E+03 0.90249E-04 -0.50558E-05 3283 0.214E-02 0.429E-02 RMM: 9 -0.371069369566E+03 0.51385E-05 -0.14221E-05 2505 0.110E-02 5065 T= 6611. E= 0.68603914E+03 F= 0.63134925E+03 E0= 0.66209369E+03 EK= 0.54690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369436786069E+03 0.16326E+01 -0.17488E-01 7872 0.242E+01 0.392E-01 RMM: 2 -0.369470191125E+03 -0.33405E-01 -0.94072E-02 5124 0.707E-01 0.203E+00 RMM: 3 -0.369442589010E+03 0.27602E-01 -0.14300E-02 5352 0.289E-01 0.344E-01 RMM: 4 -0.369442250534E+03 0.33848E-03 -0.23894E-03 5026 0.109E-01 0.286E-01 RMM: 5 -0.369442051961E+03 0.19857E-03 -0.51041E-04 4568 0.589E-02 0.237E-01 RMM: 6 -0.369441682383E+03 0.36958E-03 -0.16582E-04 3877 0.339E-02 0.455E-02 RMM: 7 -0.369441715192E+03 -0.32809E-04 -0.64969E-05 3437 0.212E-02 0.901E-02 RMM: 8 -0.369441669047E+03 0.46145E-04 -0.34720E-05 2974 0.187E-02 0.362E-02 RMM: 9 -0.369441662509E+03 0.65377E-05 -0.96724E-06 2467 0.910E-03 5066 T= 6855. E= 0.68997133E+03 F= 0.63326199E+03 E0= 0.66399437E+03 EK= 0.56709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367771568638E+03 0.16701E+01 -0.17982E-01 8016 0.244E+01 0.343E-01 RMM: 2 -0.367794605194E+03 -0.23037E-01 -0.11124E-01 5014 0.758E-01 0.152E+00 RMM: 3 -0.367779445579E+03 0.15160E-01 -0.12582E-02 5411 0.248E-01 0.262E-01 RMM: 4 -0.367779524784E+03 -0.79205E-04 -0.18832E-03 4853 0.992E-02 0.308E-01 RMM: 5 -0.367779082005E+03 0.44278E-03 -0.50127E-04 4515 0.565E-02 0.191E-01 RMM: 6 -0.367778869229E+03 0.21278E-03 -0.16972E-04 3875 0.339E-02 0.733E-02 RMM: 7 -0.367778933856E+03 -0.64627E-04 -0.11737E-04 3884 0.287E-02 0.124E-01 RMM: 8 -0.367778840695E+03 0.93161E-04 -0.56087E-05 3345 0.224E-02 0.396E-02 RMM: 9 -0.367778836122E+03 0.45737E-05 -0.12492E-05 2495 0.100E-02 5067 T= 6954. E= 0.69272491E+03 F= 0.63519809E+03 E0= 0.66591310E+03 EK= 0.57527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366203162404E+03 0.15757E+01 -0.18782E-01 8040 0.243E+01 0.319E-01 RMM: 2 -0.366223546421E+03 -0.20384E-01 -0.11997E-01 5053 0.788E-01 0.132E+00 RMM: 3 -0.366211809602E+03 0.11737E-01 -0.12468E-02 5510 0.240E-01 0.227E-01 RMM: 4 -0.366211962243E+03 -0.15264E-03 -0.15157E-03 4765 0.888E-02 0.302E-01 RMM: 5 -0.366211493689E+03 0.46855E-03 -0.42691E-04 4382 0.520E-02 0.167E-01 RMM: 6 -0.366211338913E+03 0.15478E-03 -0.17927E-04 3881 0.351E-02 0.696E-02 RMM: 7 -0.366211414454E+03 -0.75542E-04 -0.79075E-05 3601 0.240E-02 0.126E-01 RMM: 8 -0.366211316777E+03 0.97677E-04 -0.41211E-05 3127 0.201E-02 0.327E-02 RMM: 9 -0.366211315392E+03 0.13848E-05 -0.11748E-05 2477 0.968E-03 5068 T= 6874. E= 0.69389913E+03 F= 0.63703109E+03 E0= 0.66772556E+03 EK= 0.56868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364860587682E+03 0.13507E+01 -0.18319E-01 8100 0.240E+01 0.288E-01 RMM: 2 -0.364878930205E+03 -0.18343E-01 -0.12047E-01 4953 0.780E-01 0.115E+00 RMM: 3 -0.364869781828E+03 0.91484E-02 -0.11984E-02 5562 0.227E-01 0.232E-01 RMM: 4 -0.364869719789E+03 0.62040E-04 -0.14571E-03 4774 0.895E-02 0.261E-01 RMM: 5 -0.364869423258E+03 0.29653E-03 -0.46966E-04 4508 0.568E-02 0.174E-01 RMM: 6 -0.364869261854E+03 0.16140E-03 -0.16152E-04 3884 0.331E-02 0.784E-02 RMM: 7 -0.364869321436E+03 -0.59583E-04 -0.10497E-04 3797 0.273E-02 0.123E-01 RMM: 8 -0.364869228072E+03 0.93365E-04 -0.51333E-05 3280 0.217E-02 0.338E-02 RMM: 9 -0.364869226369E+03 0.17022E-05 -0.10887E-05 2480 0.925E-03 5069 T= 6660. E= 0.69373430E+03 F= 0.63863451E+03 E0= 0.66930762E+03 EK= 0.55100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363845361422E+03 0.10239E+01 -0.17937E-01 8100 0.235E+01 0.273E-01 RMM: 2 -0.363862275089E+03 -0.16914E-01 -0.11861E-01 4929 0.778E-01 0.106E+00 RMM: 3 -0.363854468399E+03 0.78067E-02 -0.11836E-02 5602 0.223E-01 0.216E-01 RMM: 4 -0.363854472949E+03 -0.45499E-05 -0.12394E-03 4744 0.826E-02 0.263E-01 RMM: 5 -0.363854107676E+03 0.36527E-03 -0.42098E-04 4455 0.536E-02 0.150E-01 RMM: 6 -0.363854008529E+03 0.99147E-04 -0.17424E-04 3876 0.343E-02 0.910E-02 RMM: 7 -0.363854066817E+03 -0.58288E-04 -0.96541E-05 3742 0.269E-02 0.129E-01 RMM: 8 -0.363853962533E+03 0.10428E-03 -0.48560E-05 3247 0.213E-02 0.324E-02 RMM: 9 -0.363853961577E+03 0.95540E-06 -0.11706E-05 2479 0.972E-03 5070 T= 6408. E= 0.69291914E+03 F= 0.63990937E+03 E0= 0.67056274E+03 EK= 0.53010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363210777289E+03 0.64319E+00 -0.16809E-01 8208 0.231E+01 0.284E-01 RMM: 2 -0.363227691135E+03 -0.16914E-01 -0.99063E-02 5026 0.718E-01 0.120E+00 RMM: 3 -0.363218083155E+03 0.96080E-02 -0.99671E-03 5504 0.214E-01 0.236E-01 RMM: 4 -0.363217982290E+03 0.10086E-03 -0.13298E-03 4709 0.851E-02 0.238E-01 RMM: 5 -0.363217777920E+03 0.20437E-03 -0.43090E-04 4467 0.545E-02 0.185E-01 RMM: 6 -0.363217591243E+03 0.18668E-03 -0.18044E-04 3885 0.357E-02 0.776E-02 RMM: 7 -0.363217659427E+03 -0.68184E-04 -0.10106E-04 3788 0.271E-02 0.128E-01 RMM: 8 -0.363217559347E+03 0.10008E-03 -0.50487E-05 3298 0.215E-02 0.347E-02 RMM: 9 -0.363217557018E+03 0.23287E-05 -0.11355E-05 2480 0.967E-03 5071 T= 6213. E= 0.69220024E+03 F= 0.64080432E+03 E0= 0.67144071E+03 EK= 0.51396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362952676943E+03 0.26488E+00 -0.16295E-01 8244 0.229E+01 0.260E-01 RMM: 2 -0.362964955343E+03 -0.12278E-01 -0.90257E-02 5020 0.675E-01 0.902E-01 RMM: 3 -0.362959293170E+03 0.56622E-02 -0.87012E-03 5517 0.193E-01 0.205E-01 RMM: 4 -0.362959489449E+03 -0.19628E-03 -0.11532E-03 4688 0.806E-02 0.291E-01 RMM: 5 -0.362959018675E+03 0.47077E-03 -0.39755E-04 4301 0.521E-02 0.143E-01 RMM: 6 -0.362958920963E+03 0.97712E-04 -0.14831E-04 3876 0.322E-02 0.806E-02 RMM: 7 -0.362958974372E+03 -0.53409E-04 -0.82176E-05 3639 0.249E-02 0.120E-01 RMM: 8 -0.362958885487E+03 0.88884E-04 -0.42224E-05 3163 0.203E-02 0.311E-02 RMM: 9 -0.362958884300E+03 0.11872E-05 -0.10512E-05 2470 0.922E-03 5072 T= 6138. E= 0.69209607E+03 F= 0.64131966E+03 E0= 0.67194268E+03 EK= 0.50776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363027163849E+03 -0.68278E-01 -0.16210E-01 8004 0.229E+01 0.289E-01 RMM: 2 -0.363041939464E+03 -0.14776E-01 -0.78761E-02 5123 0.644E-01 0.118E+00 RMM: 3 -0.363032499651E+03 0.94398E-02 -0.80843E-03 5430 0.197E-01 0.223E-01 RMM: 4 -0.363032655934E+03 -0.15628E-03 -0.13855E-03 4692 0.875E-02 0.289E-01 RMM: 5 -0.363032252919E+03 0.40301E-03 -0.39015E-04 4202 0.508E-02 0.171E-01 RMM: 6 -0.363032084483E+03 0.16844E-03 -0.13665E-04 3875 0.317E-02 0.621E-02 RMM: 7 -0.363032140229E+03 -0.55746E-04 -0.77553E-05 3598 0.237E-02 0.111E-01 RMM: 8 -0.363032063945E+03 0.76283E-04 -0.39730E-05 3118 0.199E-02 0.304E-02 RMM: 9 -0.363032062213E+03 0.17320E-05 -0.93240E-06 2463 0.863E-03 5073 T= 6201. E= 0.69279587E+03 F= 0.64149953E+03 E0= 0.67211233E+03 EK= 0.51296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363355498659E+03 -0.32343E+00 -0.15819E-01 8088 0.232E+01 0.278E-01 RMM: 2 -0.363365399340E+03 -0.99007E-02 -0.70094E-02 5196 0.606E-01 0.890E-01 RMM: 3 -0.363360082903E+03 0.53164E-02 -0.67789E-03 5443 0.178E-01 0.217E-01 RMM: 4 -0.363360504629E+03 -0.42173E-03 -0.12042E-03 4635 0.828E-02 0.342E-01 RMM: 5 -0.363359806299E+03 0.69833E-03 -0.38402E-04 4046 0.495E-02 0.135E-01 RMM: 6 -0.363359705964E+03 0.10033E-03 -0.11545E-04 3851 0.294E-02 0.634E-02 RMM: 7 -0.363359757328E+03 -0.51363E-04 -0.66439E-05 3503 0.221E-02 0.110E-01 RMM: 8 -0.363359684614E+03 0.72713E-04 -0.34810E-05 3000 0.187E-02 0.342E-02 RMM: 9 -0.363359680653E+03 0.39615E-05 -0.10591E-05 2468 0.918E-03 5074 T= 6374. E= 0.69415313E+03 F= 0.64141967E+03 E0= 0.67202546E+03 EK= 0.52733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363840276800E+03 -0.48059E+00 -0.16135E-01 8004 0.236E+01 0.294E-01 RMM: 2 -0.363851977116E+03 -0.11700E-01 -0.66471E-02 5246 0.599E-01 0.107E+00 RMM: 3 -0.363844399684E+03 0.75774E-02 -0.66949E-03 5410 0.182E-01 0.211E-01 RMM: 4 -0.363844850660E+03 -0.45098E-03 -0.13745E-03 4639 0.877E-02 0.349E-01 RMM: 5 -0.363844155608E+03 0.69505E-03 -0.40076E-04 4144 0.511E-02 0.146E-01 RMM: 6 -0.363844029791E+03 0.12582E-03 -0.10039E-04 3737 0.272E-02 0.541E-02 RMM: 7 -0.363844074633E+03 -0.44842E-04 -0.67543E-05 3490 0.220E-02 0.101E-01 RMM: 8 -0.363844010761E+03 0.63872E-04 -0.35570E-05 3031 0.187E-02 0.249E-02 RMM: 9 -0.363844011961E+03 -0.11993E-05 -0.94314E-06 2459 0.845E-03 5075 T= 6593. E= 0.69571966E+03 F= 0.64117704E+03 E0= 0.67177791E+03 EK= 0.54543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364378883919E+03 -0.53487E+00 -0.17142E-01 7848 0.240E+01 0.281E-01 RMM: 2 -0.364388045655E+03 -0.91617E-02 -0.68881E-02 5228 0.610E-01 0.850E-01 RMM: 3 -0.364383297207E+03 0.47484E-02 -0.65755E-03 5444 0.174E-01 0.206E-01 RMM: 4 -0.364383840118E+03 -0.54291E-03 -0.11699E-03 4633 0.824E-02 0.365E-01 RMM: 5 -0.364383017907E+03 0.82221E-03 -0.39360E-04 4103 0.503E-02 0.119E-01 RMM: 6 -0.364382941710E+03 0.76197E-04 -0.92090E-05 3659 0.260E-02 0.582E-02 RMM: 7 -0.364382984077E+03 -0.42367E-04 -0.58382E-05 3365 0.208E-02 0.103E-01 RMM: 8 -0.364382919092E+03 0.64985E-04 -0.31225E-05 2863 0.177E-02 0.264E-02 RMM: 9 -0.364382919665E+03 -0.57307E-06 -0.10562E-05 2461 0.889E-03 5076 T= 6768. E= 0.69686147E+03 F= 0.64087428E+03 E0= 0.67147243E+03 EK= 0.55987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364883301337E+03 -0.50038E+00 -0.17880E-01 7896 0.242E+01 0.279E-01 RMM: 2 -0.364893591469E+03 -0.10290E-01 -0.69748E-02 5155 0.619E-01 0.932E-01 RMM: 3 -0.364887821998E+03 0.57695E-02 -0.67811E-03 5445 0.176E-01 0.183E-01 RMM: 4 -0.364888378686E+03 -0.55669E-03 -0.12054E-03 4659 0.840E-02 0.361E-01 RMM: 5 -0.364887588437E+03 0.79025E-03 -0.40192E-04 4227 0.514E-02 0.118E-01 RMM: 6 -0.364887518928E+03 0.69509E-04 -0.92563E-05 3649 0.256E-02 0.644E-02 RMM: 7 -0.364887555901E+03 -0.36973E-04 -0.64070E-05 3478 0.214E-02 0.102E-01 RMM: 8 -0.364887491816E+03 0.64085E-04 -0.33631E-05 2970 0.182E-02 0.247E-02 RMM: 9 -0.364887493171E+03 -0.13548E-05 -0.95065E-06 2457 0.838E-03 5077 T= 6820. E= 0.69702182E+03 F= 0.64060197E+03 E0= 0.67119893E+03 EK= 0.56420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365299467815E+03 -0.41198E+00 -0.18225E-01 7812 0.242E+01 0.273E-01 RMM: 2 -0.365309055442E+03 -0.95876E-02 -0.65124E-02 5152 0.609E-01 0.913E-01 RMM: 3 -0.365303684300E+03 0.53711E-02 -0.66222E-03 5411 0.178E-01 0.210E-01 RMM: 4 -0.365303961244E+03 -0.27694E-03 -0.11227E-03 4667 0.816E-02 0.307E-01 RMM: 5 -0.365303474973E+03 0.48627E-03 -0.35289E-04 4102 0.481E-02 0.164E-01 RMM: 6 -0.365303312753E+03 0.16222E-03 -0.14256E-04 3890 0.332E-02 0.602E-02 RMM: 7 -0.365303373397E+03 -0.60644E-04 -0.78498E-05 3595 0.237E-02 0.115E-01 RMM: 8 -0.365303297541E+03 0.75856E-04 -0.37928E-05 3058 0.193E-02 0.422E-02 RMM: 9 -0.365303288566E+03 0.89747E-05 -0.12428E-05 2474 0.101E-02 5078 T= 6722. E= 0.69602971E+03 F= 0.64041680E+03 E0= 0.67101489E+03 EK= 0.55613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365611110265E+03 -0.30781E+00 -0.18120E-01 7776 0.239E+01 0.264E-01 RMM: 2 -0.365622064620E+03 -0.10954E-01 -0.65627E-02 5095 0.609E-01 0.101E+00 RMM: 3 -0.365615489815E+03 0.65748E-02 -0.67637E-03 5408 0.179E-01 0.170E-01 RMM: 4 -0.365615878128E+03 -0.38831E-03 -0.10536E-03 4658 0.782E-02 0.316E-01 RMM: 5 -0.365615281364E+03 0.59676E-03 -0.36957E-04 4291 0.507E-02 0.119E-01 RMM: 6 -0.365615236134E+03 0.45230E-04 -0.11861E-04 3851 0.288E-02 0.882E-02 RMM: 7 -0.365615258954E+03 -0.22820E-04 -0.73425E-05 3592 0.237E-02 0.106E-01 RMM: 8 -0.365615190316E+03 0.68637E-04 -0.36848E-05 3061 0.190E-02 0.299E-02 RMM: 9 -0.365615189766E+03 0.55021E-06 -0.97588E-06 2458 0.865E-03 5079 T= 6514. E= 0.69422038E+03 F= 0.64033591E+03 E0= 0.67093732E+03 EK= 0.53884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365835255372E+03 -0.22007E+00 -0.17628E-01 7776 0.234E+01 0.259E-01 RMM: 2 -0.365846299381E+03 -0.11044E-01 -0.64116E-02 5133 0.608E-01 0.102E+00 RMM: 3 -0.365839575032E+03 0.67243E-02 -0.67928E-03 5405 0.182E-01 0.215E-01 RMM: 4 -0.365839618060E+03 -0.43028E-04 -0.10048E-03 4644 0.758E-02 0.245E-01 RMM: 5 -0.365839393455E+03 0.22461E-03 -0.33639E-04 4184 0.484E-02 0.181E-01 RMM: 6 -0.365839197686E+03 0.19577E-03 -0.16850E-04 3884 0.357E-02 0.650E-02 RMM: 7 -0.365839271952E+03 -0.74266E-04 -0.91019E-05 3689 0.258E-02 0.125E-01 RMM: 8 -0.365839179081E+03 0.92871E-04 -0.42746E-05 3174 0.205E-02 0.370E-02 RMM: 9 -0.365839173132E+03 0.59483E-05 -0.11596E-05 2472 0.992E-03 5080 T= 6275. E= 0.69225174E+03 F= 0.64034432E+03 E0= 0.67095234E+03 EK= 0.51907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366002191635E+03 -0.16301E+00 -0.17185E-01 7680 0.230E+01 0.248E-01 RMM: 2 -0.366011415018E+03 -0.92234E-02 -0.60630E-02 5216 0.586E-01 0.903E-01 RMM: 3 -0.366006267827E+03 0.51472E-02 -0.57061E-03 5446 0.158E-01 0.175E-01 RMM: 4 -0.366006493407E+03 -0.22558E-03 -0.92101E-04 4631 0.746E-02 0.278E-01 RMM: 5 -0.366006044814E+03 0.44859E-03 -0.35684E-04 4218 0.505E-02 0.120E-01 RMM: 6 -0.366006002718E+03 0.42096E-04 -0.12903E-04 3872 0.306E-02 0.916E-02 RMM: 7 -0.366006027096E+03 -0.24378E-04 -0.69891E-05 3541 0.233E-02 0.109E-01 RMM: 8 -0.366005953724E+03 0.73372E-04 -0.37841E-05 3079 0.193E-02 0.311E-02 RMM: 9 -0.366005952453E+03 0.12709E-05 -0.96543E-06 2459 0.881E-03 5081 T= 6090. E= 0.69079008E+03 F= 0.64041093E+03 E0= 0.67102871E+03 EK= 0.50379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366141383561E+03 -0.13543E+00 -0.16852E-01 7668 0.228E+01 0.253E-01 RMM: 2 -0.366151327932E+03 -0.99444E-02 -0.65054E-02 5197 0.597E-01 0.921E-01 RMM: 3 -0.366145835722E+03 0.54922E-02 -0.65505E-03 5433 0.170E-01 0.211E-01 RMM: 4 -0.366145921141E+03 -0.85419E-04 -0.99717E-04 4655 0.759E-02 0.255E-01 RMM: 5 -0.366145670566E+03 0.25058E-03 -0.32781E-04 4012 0.465E-02 0.182E-01 RMM: 6 -0.366145469395E+03 0.20117E-03 -0.16197E-04 3888 0.357E-02 0.578E-02 RMM: 7 -0.366145536585E+03 -0.67191E-04 -0.79358E-05 3579 0.241E-02 0.117E-01 RMM: 8 -0.366145455575E+03 0.81011E-04 -0.37247E-05 3068 0.196E-02 0.340E-02 RMM: 9 -0.366145451129E+03 0.44462E-05 -0.10588E-05 2465 0.941E-03 5082 T= 6018. E= 0.69028770E+03 F= 0.64050409E+03 E0= 0.67113546E+03 EK= 0.49784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366271790746E+03 -0.12634E+00 -0.16734E-01 7860 0.228E+01 0.245E-01 RMM: 2 -0.366279437590E+03 -0.76468E-02 -0.61973E-02 5179 0.579E-01 0.740E-01 RMM: 3 -0.366275984045E+03 0.34535E-02 -0.59549E-03 5443 0.159E-01 0.176E-01 RMM: 4 -0.366276340180E+03 -0.35614E-03 -0.88023E-04 4626 0.714E-02 0.309E-01 RMM: 5 -0.366275764920E+03 0.57526E-03 -0.32107E-04 3984 0.466E-02 0.108E-01 RMM: 6 -0.366275715592E+03 0.49329E-04 -0.96967E-05 3714 0.274E-02 0.688E-02 RMM: 7 -0.366275748676E+03 -0.33084E-04 -0.50485E-05 3234 0.197E-02 0.985E-02 RMM: 8 -0.366275689842E+03 0.58834E-04 -0.31928E-05 2883 0.183E-02 0.299E-02 RMM: 9 -0.366275687214E+03 0.26272E-05 -0.88631E-06 2453 0.855E-03 5083 T= 6081. E= 0.69090715E+03 F= 0.64060333E+03 E0= 0.67125122E+03 EK= 0.50304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366397282588E+03 -0.12159E+00 -0.16935E-01 7980 0.230E+01 0.262E-01 RMM: 2 -0.366405660850E+03 -0.83783E-02 -0.57508E-02 5301 0.565E-01 0.870E-01 RMM: 3 -0.366400842579E+03 0.48183E-02 -0.56164E-03 5450 0.162E-01 0.199E-01 RMM: 4 -0.366401154965E+03 -0.31239E-03 -0.10546E-03 4625 0.789E-02 0.305E-01 RMM: 5 -0.366400679023E+03 0.47594E-03 -0.31935E-04 3914 0.449E-02 0.160E-01 RMM: 6 -0.366400521264E+03 0.15776E-03 -0.11874E-04 3846 0.308E-02 0.485E-02 RMM: 7 -0.366400569930E+03 -0.48666E-04 -0.56042E-05 3332 0.204E-02 0.101E-01 RMM: 8 -0.366400511691E+03 0.58239E-04 -0.28732E-05 2789 0.174E-02 0.345E-02 RMM: 9 -0.366400507177E+03 0.45146E-05 -0.10160E-05 2464 0.911E-03 5084 T= 6263. E= 0.69251050E+03 F= 0.64070248E+03 E0= 0.67136917E+03 EK= 0.51808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366509114436E+03 -0.10860E+00 -0.17671E-01 8136 0.234E+01 0.269E-01 RMM: 2 -0.366518029925E+03 -0.89155E-02 -0.60447E-02 5343 0.577E-01 0.910E-01 RMM: 3 -0.366512802829E+03 0.52271E-02 -0.57594E-03 5415 0.165E-01 0.179E-01 RMM: 4 -0.366513236316E+03 -0.43349E-03 -0.10591E-03 4631 0.778E-02 0.325E-01 RMM: 5 -0.366512630829E+03 0.60549E-03 -0.32155E-04 3912 0.447E-02 0.134E-01 RMM: 6 -0.366512525911E+03 0.10492E-03 -0.90800E-05 3666 0.267E-02 0.523E-02 RMM: 7 -0.366512555435E+03 -0.29524E-04 -0.48336E-05 3186 0.193E-02 0.871E-02 RMM: 8 -0.366512512870E+03 0.42565E-04 -0.29770E-05 2802 0.172E-02 0.354E-02 RMM: 9 -0.366512508380E+03 0.44896E-05 -0.11648E-05 2466 0.993E-03 5085 T= 6510. E= 0.69465917E+03 F= 0.64080752E+03 E0= 0.67149359E+03 EK= 0.53852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366595512375E+03 -0.83000E-01 -0.18098E-01 8436 0.237E+01 0.273E-01 RMM: 2 -0.366605795996E+03 -0.10284E-01 -0.64775E-02 5328 0.602E-01 0.980E-01 RMM: 3 -0.366599619847E+03 0.61761E-02 -0.64526E-03 5456 0.175E-01 0.207E-01 RMM: 4 -0.366599995936E+03 -0.37609E-03 -0.11545E-03 4617 0.814E-02 0.324E-01 RMM: 5 -0.366599398260E+03 0.59768E-03 -0.32118E-04 3909 0.444E-02 0.135E-01 RMM: 6 -0.366599285640E+03 0.11262E-03 -0.84777E-05 3607 0.260E-02 0.477E-02 RMM: 7 -0.366599314645E+03 -0.29005E-04 -0.49070E-05 3214 0.191E-02 0.856E-02 RMM: 8 -0.366599272393E+03 0.42252E-04 -0.29843E-05 2789 0.172E-02 0.304E-02 RMM: 9 -0.366599271594E+03 0.79899E-06 -0.11050E-05 2469 0.953E-03 5086 T= 6738. E= 0.69667226E+03 F= 0.64093081E+03 E0= 0.67163561E+03 EK= 0.55741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366650941821E+03 -0.51669E-01 -0.18240E-01 8448 0.240E+01 0.263E-01 RMM: 2 -0.366659832152E+03 -0.88903E-02 -0.65184E-02 5338 0.597E-01 0.861E-01 RMM: 3 -0.366655044237E+03 0.47879E-02 -0.59934E-03 5496 0.167E-01 0.176E-01 RMM: 4 -0.366655434043E+03 -0.38981E-03 -0.10037E-03 4624 0.755E-02 0.314E-01 RMM: 5 -0.366654868070E+03 0.56597E-03 -0.29715E-04 3894 0.424E-02 0.133E-01 RMM: 6 -0.366654766401E+03 0.10167E-03 -0.86157E-05 3629 0.261E-02 0.502E-02 RMM: 7 -0.366654798396E+03 -0.31994E-04 -0.44907E-05 3109 0.188E-02 0.889E-02 RMM: 8 -0.366654751663E+03 0.46732E-04 -0.28892E-05 2766 0.169E-02 0.307E-02 RMM: 9 -0.366654750076E+03 0.15870E-05 -0.11796E-05 2464 0.985E-03 5087 T= 6860. E= 0.69783262E+03 F= 0.64107963E+03 E0= 0.67180122E+03 EK= 0.56753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366680381102E+03 -0.25629E-01 -0.18167E-01 8220 0.240E+01 0.247E-01 RMM: 2 -0.366690069162E+03 -0.96881E-02 -0.73433E-02 5214 0.621E-01 0.820E-01 RMM: 3 -0.366685464338E+03 0.46048E-02 -0.68692E-03 5573 0.171E-01 0.180E-01 RMM: 4 -0.366685770590E+03 -0.30625E-03 -0.90918E-04 4640 0.713E-02 0.299E-01 RMM: 5 -0.366685220492E+03 0.55010E-03 -0.25934E-04 3887 0.397E-02 0.101E-01 RMM: 6 -0.366685168672E+03 0.51819E-04 -0.73615E-05 3510 0.241E-02 0.562E-02 RMM: 7 -0.366685205494E+03 -0.36822E-04 -0.50229E-05 3223 0.194E-02 0.963E-02 RMM: 8 -0.366685150660E+03 0.54834E-04 -0.31794E-05 2907 0.180E-02 0.281E-02 RMM: 9 -0.366685149855E+03 0.80482E-06 -0.94992E-06 2457 0.872E-03 5088 T= 6826. E= 0.69772170E+03 F= 0.64124984E+03 E0= 0.67198625E+03 EK= 0.56472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366707528842E+03 -0.22378E-01 -0.17500E-01 8136 0.238E+01 0.241E-01 RMM: 2 -0.366717489826E+03 -0.99610E-02 -0.69701E-02 5197 0.607E-01 0.879E-01 RMM: 3 -0.366712271054E+03 0.52188E-02 -0.64610E-03 5600 0.171E-01 0.172E-01 RMM: 4 -0.366712424264E+03 -0.15321E-03 -0.84577E-04 4634 0.686E-02 0.251E-01 RMM: 5 -0.366712097425E+03 0.32684E-03 -0.24623E-04 3885 0.394E-02 0.136E-01 RMM: 6 -0.366711995640E+03 0.10178E-03 -0.10807E-04 3795 0.293E-02 0.589E-02 RMM: 7 -0.366712048978E+03 -0.53338E-04 -0.55074E-05 3289 0.205E-02 0.108E-01 RMM: 8 -0.366711977536E+03 0.71442E-04 -0.32470E-05 2929 0.185E-02 0.294E-02 RMM: 9 -0.366711975850E+03 0.16859E-05 -0.93047E-06 2458 0.859E-03 5089 T= 6652. E= 0.69645531E+03 F= 0.64142206E+03 E0= 0.67217189E+03 EK= 0.55033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366763376800E+03 -0.51399E-01 -0.16710E-01 8040 0.235E+01 0.230E-01 RMM: 2 -0.366774503015E+03 -0.11126E-01 -0.68356E-02 5127 0.594E-01 0.949E-01 RMM: 3 -0.366768209045E+03 0.62940E-02 -0.64422E-03 5460 0.175E-01 0.182E-01 RMM: 4 -0.366768243639E+03 -0.34594E-04 -0.80872E-04 4628 0.663E-02 0.213E-01 RMM: 5 -0.366768024352E+03 0.21929E-03 -0.25140E-04 3893 0.419E-02 0.134E-01 RMM: 6 -0.366767931930E+03 0.92421E-04 -0.11015E-04 3813 0.292E-02 0.684E-02 RMM: 7 -0.366767983499E+03 -0.51568E-04 -0.72305E-05 3526 0.233E-02 0.111E-01 RMM: 8 -0.366767908089E+03 0.75410E-04 -0.37118E-05 3077 0.196E-02 0.300E-02 RMM: 9 -0.366767906555E+03 0.15343E-05 -0.90017E-06 2458 0.850E-03 5090 T= 6412. E= 0.69460767E+03 F= 0.64156506E+03 E0= 0.67232880E+03 EK= 0.53043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366879561882E+03 -0.11165E+00 -0.15992E-01 7848 0.231E+01 0.239E-01 RMM: 2 -0.366891065267E+03 -0.11503E-01 -0.69529E-02 5125 0.608E-01 0.988E-01 RMM: 3 -0.366884521538E+03 0.65437E-02 -0.70164E-03 5537 0.181E-01 0.192E-01 RMM: 4 -0.366884459320E+03 0.62218E-04 -0.80381E-04 4618 0.652E-02 0.194E-01 RMM: 5 -0.366884306197E+03 0.15312E-03 -0.26322E-04 3931 0.432E-02 0.144E-01 RMM: 6 -0.366884202768E+03 0.10343E-03 -0.12472E-04 3871 0.313E-02 0.704E-02 RMM: 7 -0.366884261030E+03 -0.58262E-04 -0.67907E-05 3494 0.225E-02 0.117E-01 RMM: 8 -0.366884176057E+03 0.84973E-04 -0.38634E-05 3079 0.200E-02 0.284E-02 RMM: 9 -0.366884175952E+03 0.10480E-06 -0.97481E-06 2463 0.888E-03 5091 T= 6195. E= 0.69289684E+03 F= 0.64164794E+03 E0= 0.67242687E+03 EK= 0.51249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367076436312E+03 -0.19226E+00 -0.15335E-01 7872 0.228E+01 0.233E-01 RMM: 2 -0.367087713124E+03 -0.11277E-01 -0.65007E-02 5164 0.588E-01 0.980E-01 RMM: 3 -0.367081109634E+03 0.66035E-02 -0.64122E-03 5447 0.174E-01 0.197E-01 RMM: 4 -0.367081025736E+03 0.83899E-04 -0.81672E-04 4617 0.661E-02 0.186E-01 RMM: 5 -0.367080878970E+03 0.14677E-03 -0.25457E-04 3898 0.430E-02 0.134E-01 RMM: 6 -0.367080788798E+03 0.90173E-04 -0.11121E-04 3844 0.294E-02 0.724E-02 RMM: 7 -0.367080837257E+03 -0.48459E-04 -0.74002E-05 3548 0.235E-02 0.113E-01 RMM: 8 -0.367080761171E+03 0.76086E-04 -0.38451E-05 3103 0.198E-02 0.299E-02 RMM: 9 -0.367080759899E+03 0.12717E-05 -0.86921E-06 2461 0.840E-03 5092 T= 6073. E= 0.69189190E+03 F= 0.64164982E+03 E0= 0.67244666E+03 EK= 0.50242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367358498118E+03 -0.27774E+00 -0.15238E-01 7704 0.228E+01 0.241E-01 RMM: 2 -0.367369797003E+03 -0.11299E-01 -0.68155E-02 5080 0.605E-01 0.984E-01 RMM: 3 -0.367363417405E+03 0.63796E-02 -0.71411E-03 5462 0.181E-01 0.193E-01 RMM: 4 -0.367363411204E+03 0.62007E-05 -0.85033E-04 4617 0.671E-02 0.213E-01 RMM: 5 -0.367363201934E+03 0.20927E-03 -0.24798E-04 3902 0.412E-02 0.137E-01 RMM: 6 -0.367363102923E+03 0.99011E-04 -0.10900E-04 3793 0.294E-02 0.627E-02 RMM: 7 -0.367363153445E+03 -0.50522E-04 -0.57949E-05 3362 0.208E-02 0.108E-01 RMM: 8 -0.367363081032E+03 0.72414E-04 -0.34938E-05 3001 0.193E-02 0.251E-02 RMM: 9 -0.367363082083E+03 -0.10517E-05 -0.94405E-06 2457 0.878E-03 5093 T= 6082. E= 0.69187834E+03 F= 0.64156350E+03 E0= 0.67238064E+03 EK= 0.50315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367715621069E+03 -0.35254E+00 -0.15023E-01 7656 0.230E+01 0.243E-01 RMM: 2 -0.367726390387E+03 -0.10769E-01 -0.63106E-02 5132 0.592E-01 0.977E-01 RMM: 3 -0.367720099122E+03 0.62913E-02 -0.64624E-03 5429 0.174E-01 0.201E-01 RMM: 4 -0.367720071520E+03 0.27602E-04 -0.92011E-04 4617 0.710E-02 0.207E-01 RMM: 5 -0.367719857740E+03 0.21378E-03 -0.22386E-04 3882 0.384E-02 0.123E-01 RMM: 6 -0.367719773714E+03 0.84025E-04 -0.76440E-05 3570 0.249E-02 0.562E-02 RMM: 7 -0.367719812410E+03 -0.38696E-04 -0.54359E-05 3289 0.203E-02 0.971E-02 RMM: 8 -0.367719756326E+03 0.56085E-04 -0.31570E-05 2924 0.183E-02 0.258E-02 RMM: 9 -0.367719755932E+03 0.39425E-06 -0.78020E-06 2451 0.789E-03 5094 T= 6218. E= 0.69283483E+03 F= 0.64139845E+03 E0= 0.67223814E+03 EK= 0.51436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368119834301E+03 -0.40008E+00 -0.15491E-01 7644 0.233E+01 0.255E-01 RMM: 2 -0.368131103106E+03 -0.11269E-01 -0.70493E-02 5061 0.632E-01 0.974E-01 RMM: 3 -0.368124905643E+03 0.61975E-02 -0.75426E-03 5426 0.188E-01 0.201E-01 RMM: 4 -0.368124993521E+03 -0.87879E-04 -0.98856E-04 4620 0.723E-02 0.246E-01 RMM: 5 -0.368124699122E+03 0.29440E-03 -0.25081E-04 3895 0.396E-02 0.142E-01 RMM: 6 -0.368124577313E+03 0.12181E-03 -0.94950E-05 3643 0.277E-02 0.479E-02 RMM: 7 -0.368124612307E+03 -0.34995E-04 -0.46245E-05 3161 0.188E-02 0.890E-02 RMM: 8 -0.368124565751E+03 0.46557E-04 -0.28819E-05 2722 0.174E-02 0.317E-02 RMM: 9 -0.368124562806E+03 0.29447E-05 -0.10743E-05 2456 0.957E-03 5095 T= 6438. E= 0.69443676E+03 F= 0.64117949E+03 E0= 0.67204237E+03 EK= 0.53257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368539273541E+03 -0.41471E+00 -0.16248E-01 7752 0.237E+01 0.259E-01 RMM: 2 -0.368551047875E+03 -0.11774E-01 -0.75997E-02 5062 0.659E-01 0.974E-01 RMM: 3 -0.368544865062E+03 0.61828E-02 -0.79201E-03 5441 0.190E-01 0.218E-01 RMM: 4 -0.368544849085E+03 0.15977E-04 -0.11039E-03 4633 0.782E-02 0.232E-01 RMM: 5 -0.368544550005E+03 0.29908E-03 -0.25593E-04 3899 0.400E-02 0.116E-01 RMM: 6 -0.368544472514E+03 0.77491E-04 -0.71520E-05 3474 0.244E-02 0.497E-02 RMM: 7 -0.368544496497E+03 -0.23983E-04 -0.41530E-05 3062 0.181E-02 0.815E-02 RMM: 8 -0.368544458210E+03 0.38287E-04 -0.29451E-05 2723 0.173E-02 0.297E-02 RMM: 9 -0.368544456896E+03 0.13143E-05 -0.10019E-05 2451 0.921E-03 5096 T= 6668. E= 0.69609769E+03 F= 0.64093929E+03 E0= 0.67182482E+03 EK= 0.55158E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368945324237E+03 -0.40087E+00 -0.16981E-01 7716 0.240E+01 0.275E-01 RMM: 2 -0.368959129324E+03 -0.13805E-01 -0.81464E-02 5114 0.683E-01 0.110E+00 RMM: 3 -0.368951194343E+03 0.79350E-02 -0.85731E-03 5408 0.203E-01 0.240E-01 RMM: 4 -0.368951116699E+03 0.77644E-04 -0.11641E-03 4643 0.783E-02 0.228E-01 RMM: 5 -0.368950905891E+03 0.21081E-03 -0.26966E-04 3904 0.408E-02 0.158E-01 RMM: 6 -0.368950748144E+03 0.15775E-03 -0.10081E-04 3672 0.288E-02 0.463E-02 RMM: 7 -0.368950768415E+03 -0.20271E-04 -0.41076E-05 3062 0.180E-02 0.753E-02 RMM: 8 -0.368950739100E+03 0.29315E-04 -0.26356E-05 2596 0.161E-02 0.388E-02 RMM: 9 -0.368950732615E+03 0.64850E-05 -0.12943E-05 2466 0.108E-02 5097 T= 6820. E= 0.69712647E+03 F= 0.64070726E+03 E0= 0.67161300E+03 EK= 0.56419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369322612104E+03 -0.37187E+00 -0.16724E-01 7872 0.240E+01 0.265E-01 RMM: 2 -0.369334165036E+03 -0.11553E-01 -0.73396E-02 5225 0.652E-01 0.983E-01 RMM: 3 -0.369327844526E+03 0.63205E-02 -0.73219E-03 5455 0.186E-01 0.226E-01 RMM: 4 -0.369327746587E+03 0.97939E-04 -0.10643E-03 4619 0.761E-02 0.213E-01 RMM: 5 -0.369327516408E+03 0.23018E-03 -0.24627E-04 3892 0.390E-02 0.125E-01 RMM: 6 -0.369327424500E+03 0.91908E-04 -0.78791E-05 3533 0.259E-02 0.475E-02 RMM: 7 -0.369327450544E+03 -0.26044E-04 -0.39510E-05 3036 0.175E-02 0.826E-02 RMM: 8 -0.369327413031E+03 0.37513E-04 -0.29284E-05 2640 0.172E-02 0.329E-02 RMM: 9 -0.369327409519E+03 0.35113E-05 -0.10481E-05 2452 0.947E-03 5098 T= 6832. E= 0.69702171E+03 F= 0.64050089E+03 E0= 0.67142349E+03 EK= 0.56521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369667821201E+03 -0.34041E+00 -0.16545E-01 7824 0.238E+01 0.254E-01 RMM: 2 -0.369679917683E+03 -0.12096E-01 -0.72630E-02 5197 0.641E-01 0.101E+00 RMM: 3 -0.369673068853E+03 0.68488E-02 -0.71794E-03 5433 0.186E-01 0.232E-01 RMM: 4 -0.369672941355E+03 0.12750E-03 -0.10107E-03 4617 0.744E-02 0.199E-01 RMM: 5 -0.369672788445E+03 0.15291E-03 -0.24337E-04 3897 0.390E-02 0.148E-01 RMM: 6 -0.369672653406E+03 0.13504E-03 -0.94077E-05 3642 0.280E-02 0.487E-02 RMM: 7 -0.369672682806E+03 -0.29400E-04 -0.48286E-05 3192 0.193E-02 0.839E-02 RMM: 8 -0.369672646168E+03 0.36638E-04 -0.27344E-05 2661 0.166E-02 0.402E-02 RMM: 9 -0.369672638487E+03 0.76812E-05 -0.11670E-05 2462 0.101E-02 5099 T= 6700. E= 0.69574671E+03 F= 0.64032375E+03 E0= 0.67125964E+03 EK= 0.55423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369987297963E+03 -0.31465E+00 -0.16201E-01 7764 0.234E+01 0.232E-01 RMM: 2 -0.369998272182E+03 -0.10974E-01 -0.69206E-02 5198 0.615E-01 0.941E-01 RMM: 3 -0.369992314138E+03 0.59580E-02 -0.66124E-03 5514 0.174E-01 0.188E-01 RMM: 4 -0.369992288154E+03 0.25984E-04 -0.86378E-04 4622 0.701E-02 0.195E-01 RMM: 5 -0.369992101635E+03 0.18652E-03 -0.21085E-04 3887 0.362E-02 0.125E-01 RMM: 6 -0.369992015631E+03 0.86004E-04 -0.83101E-05 3592 0.264E-02 0.556E-02 RMM: 7 -0.369992051271E+03 -0.35640E-04 -0.51965E-05 3247 0.196E-02 0.939E-02 RMM: 8 -0.369992001311E+03 0.49961E-04 -0.33168E-05 2921 0.186E-02 0.322E-02 RMM: 9 -0.369991997684E+03 0.36262E-05 -0.93351E-06 2451 0.889E-03 5100 T= 6477. E= 0.69375106E+03 F= 0.64017161E+03 E0= 0.67111820E+03 EK= 0.53579E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370283504544E+03 -0.29150E+00 -0.16485E-01 8028 0.230E+01 0.211E-01 RMM: 2 -0.370293545162E+03 -0.10041E-01 -0.64876E-02 5125 0.583E-01 0.878E-01 RMM: 3 -0.370288236501E+03 0.53087E-02 -0.60181E-03 5430 0.169E-01 0.173E-01 RMM: 4 -0.370288291742E+03 -0.55241E-04 -0.78214E-04 4624 0.660E-02 0.204E-01 RMM: 5 -0.370288078267E+03 0.21347E-03 -0.21717E-04 3889 0.383E-02 0.118E-01 RMM: 6 -0.370288002135E+03 0.76132E-04 -0.77351E-05 3540 0.252E-02 0.554E-02 RMM: 7 -0.370288040999E+03 -0.38863E-04 -0.56779E-05 3324 0.209E-02 0.941E-02 RMM: 8 -0.370287989314E+03 0.51684E-04 -0.30673E-05 2900 0.179E-02 0.307E-02 RMM: 9 -0.370287986207E+03 0.31072E-05 -0.88982E-06 2450 0.853E-03 5101 T= 6247. E= 0.69172295E+03 F= 0.64004242E+03 E0= 0.67099843E+03 EK= 0.51681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370550494331E+03 -0.26251E+00 -0.16423E-01 8160 0.226E+01 0.221E-01 RMM: 2 -0.370561327081E+03 -0.10833E-01 -0.59855E-02 5201 0.559E-01 0.996E-01 RMM: 3 -0.370554647565E+03 0.66795E-02 -0.55938E-03 5463 0.165E-01 0.169E-01 RMM: 4 -0.370554690535E+03 -0.42970E-04 -0.75926E-04 4619 0.644E-02 0.200E-01 RMM: 5 -0.370554498153E+03 0.19238E-03 -0.18960E-04 3886 0.354E-02 0.124E-01 RMM: 6 -0.370554411434E+03 0.86719E-04 -0.79434E-05 3571 0.257E-02 0.527E-02 RMM: 7 -0.370554454753E+03 -0.43319E-04 -0.55432E-05 3304 0.203E-02 0.986E-02 RMM: 8 -0.370554397532E+03 0.57221E-04 -0.32580E-05 2957 0.185E-02 0.252E-02 RMM: 9 -0.370554396822E+03 0.70949E-06 -0.82193E-06 2444 0.815E-03 5102 T= 6086. E= 0.69028609E+03 F= 0.63994182E+03 E0= 0.67090771E+03 EK= 0.50344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370766944714E+03 -0.21255E+00 -0.16099E-01 8244 0.224E+01 0.201E-01 RMM: 2 -0.370775224537E+03 -0.82798E-02 -0.59952E-02 5207 0.539E-01 0.731E-01 RMM: 3 -0.370771175811E+03 0.40487E-02 -0.49568E-03 5396 0.156E-01 0.192E-01 RMM: 4 -0.370771161904E+03 0.13906E-04 -0.71045E-04 4629 0.618E-02 0.189E-01 RMM: 5 -0.370770978351E+03 0.18355E-03 -0.18644E-04 3884 0.352E-02 0.117E-01 RMM: 6 -0.370770901631E+03 0.76720E-04 -0.71313E-05 3478 0.246E-02 0.493E-02 RMM: 7 -0.370770943317E+03 -0.41686E-04 -0.47072E-05 3189 0.190E-02 0.951E-02 RMM: 8 -0.370770890622E+03 0.52695E-04 -0.27704E-05 2741 0.170E-02 0.275E-02 RMM: 9 -0.370770888375E+03 0.22469E-05 -0.80418E-06 2444 0.797E-03 5103 T= 6037. E= 0.68982991E+03 F= 0.63988876E+03 E0= 0.67086619E+03 EK= 0.49941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370905381445E+03 -0.13449E+00 -0.16035E-01 8184 0.225E+01 0.223E-01 RMM: 2 -0.370915385920E+03 -0.10004E-01 -0.62067E-02 5206 0.555E-01 0.898E-01 RMM: 3 -0.370909704878E+03 0.56810E-02 -0.56123E-03 5518 0.164E-01 0.197E-01 RMM: 4 -0.370909653686E+03 0.51192E-04 -0.79037E-04 4623 0.650E-02 0.190E-01 RMM: 5 -0.370909505025E+03 0.14866E-03 -0.18365E-04 3886 0.341E-02 0.134E-01 RMM: 6 -0.370909396964E+03 0.10806E-03 -0.73082E-05 3497 0.252E-02 0.473E-02 RMM: 7 -0.370909425350E+03 -0.28386E-04 -0.45686E-05 3161 0.186E-02 0.830E-02 RMM: 8 -0.370909388471E+03 0.36879E-04 -0.28356E-05 2714 0.169E-02 0.347E-02 RMM: 9 -0.370909382700E+03 0.57707E-05 -0.90799E-06 2450 0.886E-03 5104 T= 6111. E= 0.69046258E+03 F= 0.63990958E+03 E0= 0.67090091E+03 EK= 0.50553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370931849462E+03 -0.22461E-01 -0.16138E-01 8292 0.227E+01 0.208E-01 RMM: 2 -0.370940398345E+03 -0.85489E-02 -0.62265E-02 5336 0.540E-01 0.747E-01 RMM: 3 -0.370936094821E+03 0.43035E-02 -0.48500E-03 5429 0.154E-01 0.179E-01 RMM: 4 -0.370936176679E+03 -0.81859E-04 -0.71411E-04 4616 0.615E-02 0.214E-01 RMM: 5 -0.370935913978E+03 0.26270E-03 -0.17321E-04 3877 0.327E-02 0.108E-01 RMM: 6 -0.370935849259E+03 0.64718E-04 -0.61378E-05 3384 0.229E-02 0.470E-02 RMM: 7 -0.370935881044E+03 -0.31784E-04 -0.39884E-05 3043 0.175E-02 0.862E-02 RMM: 8 -0.370935840134E+03 0.40910E-04 -0.29036E-05 2662 0.166E-02 0.343E-02 RMM: 9 -0.370935834748E+03 0.53857E-05 -0.98977E-06 2454 0.904E-03 5105 T= 6283. E= 0.69201706E+03 F= 0.64003684E+03 E0= 0.67104441E+03 EK= 0.51980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370816000841E+03 0.11984E+00 -0.17087E-01 8328 0.231E+01 0.226E-01 RMM: 2 -0.370826905553E+03 -0.10905E-01 -0.67203E-02 5266 0.576E-01 0.947E-01 RMM: 3 -0.370820673957E+03 0.62316E-02 -0.59003E-03 5588 0.166E-01 0.190E-01 RMM: 4 -0.370820659877E+03 0.14080E-04 -0.81091E-04 4635 0.654E-02 0.200E-01 RMM: 5 -0.370820468117E+03 0.19176E-03 -0.17380E-04 3886 0.332E-02 0.124E-01 RMM: 6 -0.370820372912E+03 0.95205E-04 -0.59631E-05 3371 0.228E-02 0.429E-02 RMM: 7 -0.370820397223E+03 -0.24311E-04 -0.40181E-05 3058 0.175E-02 0.779E-02 RMM: 8 -0.370820363541E+03 0.33681E-04 -0.30440E-05 2687 0.166E-02 0.303E-02 RMM: 9 -0.370820359882E+03 0.36595E-05 -0.10004E-05 2450 0.916E-03 5106 T= 6500. E= 0.69406816E+03 F= 0.64029962E+03 E0= 0.67132527E+03 EK= 0.53769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370539459853E+03 0.28090E+00 -0.18104E-01 8172 0.234E+01 0.202E-01 RMM: 2 -0.370549063123E+03 -0.96033E-02 -0.73960E-02 5247 0.594E-01 0.742E-01 RMM: 3 -0.370544859552E+03 0.42036E-02 -0.59743E-03 5590 0.162E-01 0.165E-01 RMM: 4 -0.370544945770E+03 -0.86218E-04 -0.72584E-04 4632 0.626E-02 0.215E-01 RMM: 5 -0.370544668928E+03 0.27684E-03 -0.17764E-04 3879 0.334E-02 0.974E-02 RMM: 6 -0.370544617981E+03 0.50947E-04 -0.52177E-05 3269 0.212E-02 0.457E-02 RMM: 7 -0.370544647964E+03 -0.29983E-04 -0.37836E-05 2968 0.170E-02 0.851E-02 RMM: 8 -0.370544606713E+03 0.41251E-04 -0.31178E-05 2666 0.168E-02 0.303E-02 RMM: 9 -0.370544603411E+03 0.33013E-05 -0.10004E-05 2449 0.898E-03 5107 T= 6684. E= 0.69601452E+03 F= 0.64071637E+03 E0= 0.67176067E+03 EK= 0.55298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370101840822E+03 0.44277E+00 -0.18389E-01 8100 0.237E+01 0.203E-01 RMM: 2 -0.370112211209E+03 -0.10370E-01 -0.75784E-02 5272 0.599E-01 0.807E-01 RMM: 3 -0.370107362054E+03 0.48492E-02 -0.60550E-03 5661 0.162E-01 0.158E-01 RMM: 4 -0.370107427905E+03 -0.65851E-04 -0.70352E-04 4640 0.614E-02 0.206E-01 RMM: 5 -0.370107195028E+03 0.23288E-03 -0.16374E-04 3883 0.324E-02 0.105E-01 RMM: 6 -0.370107130300E+03 0.64728E-04 -0.51898E-05 3259 0.211E-02 0.455E-02 RMM: 7 -0.370107164584E+03 -0.34283E-04 -0.47494E-05 3190 0.188E-02 0.892E-02 RMM: 8 -0.370107118132E+03 0.46451E-04 -0.32739E-05 2813 0.172E-02 0.256E-02 RMM: 9 -0.370107116661E+03 0.14711E-05 -0.10044E-05 2448 0.896E-03 5108 T= 6768. E= 0.69727918E+03 F= 0.64128935E+03 E0= 0.67235140E+03 EK= 0.55990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369523627165E+03 0.58349E+00 -0.18038E-01 8172 0.237E+01 0.186E-01 RMM: 2 -0.369533413514E+03 -0.97863E-02 -0.74617E-02 5283 0.590E-01 0.752E-01 RMM: 3 -0.369529115536E+03 0.42980E-02 -0.56707E-03 5667 0.159E-01 0.150E-01 RMM: 4 -0.369529161503E+03 -0.45968E-04 -0.63628E-04 4628 0.592E-02 0.189E-01 RMM: 5 -0.369528949868E+03 0.21163E-03 -0.15888E-04 3885 0.320E-02 0.882E-02 RMM: 6 -0.369528913363E+03 0.36505E-04 -0.46644E-05 3187 0.200E-02 0.520E-02 RMM: 7 -0.369528945116E+03 -0.31753E-04 -0.49130E-05 3231 0.190E-02 0.889E-02 RMM: 8 -0.369528897614E+03 0.47502E-04 -0.31875E-05 2807 0.175E-02 0.253E-02 RMM: 9 -0.369528896080E+03 0.15341E-05 -0.86741E-06 2441 0.808E-03 5109 T= 6718. E= 0.69757450E+03 F= 0.64199876E+03 E0= 0.67307588E+03 EK= 0.55576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368843144983E+03 0.68575E+00 -0.17753E-01 7800 0.236E+01 0.188E-01 RMM: 2 -0.368853409388E+03 -0.10264E-01 -0.73536E-02 5297 0.592E-01 0.810E-01 RMM: 3 -0.368848565433E+03 0.48440E-02 -0.57017E-03 5604 0.160E-01 0.163E-01 RMM: 4 -0.368848520307E+03 0.45126E-04 -0.60859E-04 4633 0.565E-02 0.162E-01 RMM: 5 -0.368848381031E+03 0.13928E-03 -0.13936E-04 3878 0.302E-02 0.985E-02 RMM: 6 -0.368848329817E+03 0.51213E-04 -0.55727E-05 3320 0.218E-02 0.522E-02 RMM: 7 -0.368848371399E+03 -0.41582E-04 -0.53578E-05 3302 0.196E-02 0.985E-02 RMM: 8 -0.368848314694E+03 0.56705E-04 -0.32872E-05 2875 0.177E-02 0.277E-02 RMM: 9 -0.368848312421E+03 0.22726E-05 -0.98520E-06 2445 0.879E-03 5110 T= 6557. E= 0.69705396E+03 F= 0.64280733E+03 E0= 0.67389525E+03 EK= 0.54247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368105563497E+03 0.74275E+00 -0.17098E-01 7860 0.233E+01 0.190E-01 RMM: 2 -0.368116346220E+03 -0.10783E-01 -0.69995E-02 5258 0.588E-01 0.888E-01 RMM: 3 -0.368110749589E+03 0.55966E-02 -0.56889E-03 5593 0.161E-01 0.165E-01 RMM: 4 -0.368110667579E+03 0.82010E-04 -0.60110E-04 4625 0.566E-02 0.147E-01 RMM: 5 -0.368110554610E+03 0.11297E-03 -0.13188E-04 3877 0.303E-02 0.924E-02 RMM: 6 -0.368110514125E+03 0.40485E-04 -0.47540E-05 3194 0.202E-02 0.550E-02 RMM: 7 -0.368110548951E+03 -0.34825E-04 -0.53706E-05 3315 0.198E-02 0.930E-02 RMM: 8 -0.368110497817E+03 0.51134E-04 -0.33734E-05 2910 0.182E-02 0.276E-02 RMM: 9 -0.368110495719E+03 0.20975E-05 -0.87770E-06 2446 0.819E-03 5111 T= 6352. E= 0.69621585E+03 F= 0.64367057E+03 E0= 0.67476386E+03 EK= 0.52545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367350019867E+03 0.76048E+00 -0.16831E-01 8100 0.231E+01 0.179E-01 RMM: 2 -0.367359456586E+03 -0.94367E-02 -0.68797E-02 5229 0.581E-01 0.767E-01 RMM: 3 -0.367355131230E+03 0.43254E-02 -0.55007E-03 5539 0.159E-01 0.166E-01 RMM: 4 -0.367355051394E+03 0.79836E-04 -0.54972E-04 4614 0.534E-02 0.142E-01 RMM: 5 -0.367354948149E+03 0.10324E-03 -0.12689E-04 3872 0.292E-02 0.975E-02 RMM: 6 -0.367354900350E+03 0.47799E-04 -0.53553E-05 3283 0.214E-02 0.533E-02 RMM: 7 -0.367354941046E+03 -0.40696E-04 -0.51746E-05 3254 0.194E-02 0.971E-02 RMM: 8 -0.367354885546E+03 0.55500E-04 -0.33374E-05 2856 0.179E-02 0.300E-02 RMM: 9 -0.367354882445E+03 0.31016E-05 -0.10296E-05 2447 0.901E-03 5112 T= 6177. E= 0.69564808E+03 F= 0.64454902E+03 E0= 0.67564155E+03 EK= 0.51099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366599564099E+03 0.75532E+00 -0.16512E-01 8448 0.229E+01 0.194E-01 RMM: 2 -0.366610527394E+03 -0.10963E-01 -0.66736E-02 5302 0.571E-01 0.954E-01 RMM: 3 -0.366604366503E+03 0.61609E-02 -0.52808E-03 5559 0.158E-01 0.164E-01 RMM: 4 -0.366604295537E+03 0.70966E-04 -0.59835E-04 4620 0.558E-02 0.147E-01 RMM: 5 -0.366604184627E+03 0.11091E-03 -0.12142E-04 3869 0.285E-02 0.923E-02 RMM: 6 -0.366604140599E+03 0.44029E-04 -0.41730E-05 3124 0.189E-02 0.495E-02 RMM: 7 -0.366604169313E+03 -0.28715E-04 -0.50008E-05 3243 0.193E-02 0.845E-02 RMM: 8 -0.366604127287E+03 0.42027E-04 -0.32121E-05 2870 0.176E-02 0.254E-02 RMM: 9 -0.366604125786E+03 0.15001E-05 -0.82988E-06 2441 0.793E-03 5113 T= 6091. E= 0.69580696E+03 F= 0.64541941E+03 E0= 0.67650456E+03 EK= 0.50388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365860520922E+03 0.74361E+00 -0.16249E-01 8364 0.230E+01 0.184E-01 RMM: 2 -0.365869674969E+03 -0.91540E-02 -0.67135E-02 5399 0.560E-01 0.768E-01 RMM: 3 -0.365865315795E+03 0.43592E-02 -0.48389E-03 5528 0.150E-01 0.170E-01 RMM: 4 -0.365865262530E+03 0.53266E-04 -0.55202E-04 4629 0.535E-02 0.154E-01 RMM: 5 -0.365865138909E+03 0.12362E-03 -0.12203E-04 3874 0.269E-02 0.101E-01 RMM: 6 -0.365865082152E+03 0.56757E-04 -0.49081E-05 3238 0.206E-02 0.450E-02 RMM: 7 -0.365865113559E+03 -0.31407E-04 -0.40115E-05 3023 0.173E-02 0.867E-02 RMM: 8 -0.365865071051E+03 0.42508E-04 -0.33080E-05 2681 0.172E-02 0.314E-02 RMM: 9 -0.365865067136E+03 0.39156E-05 -0.10864E-05 2449 0.924E-03 5114 T= 6121. E= 0.69690846E+03 F= 0.64627396E+03 E0= 0.67734513E+03 EK= 0.50635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365129859320E+03 0.73521E+00 -0.16259E-01 8424 0.232E+01 0.192E-01 RMM: 2 -0.365140065894E+03 -0.10207E-01 -0.72215E-02 5491 0.568E-01 0.835E-01 RMM: 3 -0.365134942063E+03 0.51238E-02 -0.48930E-03 5705 0.146E-01 0.161E-01 RMM: 4 -0.365134914087E+03 0.27976E-04 -0.60218E-04 4633 0.569E-02 0.169E-01 RMM: 5 -0.365134747866E+03 0.16622E-03 -0.12578E-04 3857 0.278E-02 0.861E-02 RMM: 6 -0.365134708335E+03 0.39532E-04 -0.33733E-05 2953 0.175E-02 0.461E-02 RMM: 7 -0.365134727277E+03 -0.18943E-04 -0.39459E-05 3036 0.170E-02 5115 T= 6260. E= 0.69889832E+03 F= 0.64711476E+03 E0= 0.67816539E+03 EK= 0.51784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364406408167E+03 0.72830E+00 -0.17137E-01 8304 0.235E+01 0.199E-01 RMM: 2 -0.364416695057E+03 -0.10287E-01 -0.80749E-02 5503 0.591E-01 0.766E-01 RMM: 3 -0.364412176139E+03 0.45189E-02 -0.57517E-03 5653 0.160E-01 0.187E-01 RMM: 4 -0.364412094504E+03 0.81636E-04 -0.62829E-04 4648 0.555E-02 0.164E-01 RMM: 5 -0.364411932659E+03 0.16184E-03 -0.12020E-04 3829 0.262E-02 0.863E-02 RMM: 6 -0.364411896899E+03 0.35760E-04 -0.33973E-05 2988 0.175E-02 0.488E-02 RMM: 7 -0.364411922065E+03 -0.25166E-04 -0.45547E-05 3148 0.176E-02 0.844E-02 RMM: 8 -0.364411884059E+03 0.38007E-04 -0.41128E-05 2933 0.183E-02 0.351E-02 RMM: 9 -0.364411879957E+03 0.41019E-05 -0.13503E-05 2470 0.102E-02 5116 T= 6468. E= 0.70144789E+03 F= 0.64794256E+03 E0= 0.67896766E+03 EK= 0.53505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363706616437E+03 0.70527E+00 -0.18010E-01 8484 0.239E+01 0.243E-01 RMM: 2 -0.363722236726E+03 -0.15620E-01 -0.93391E-02 5453 0.649E-01 0.114E+00 RMM: 3 -0.363713304905E+03 0.89318E-02 -0.79304E-03 5678 0.185E-01 0.208E-01 RMM: 4 -0.363713138539E+03 0.16637E-03 -0.89803E-04 4649 0.667E-02 0.175E-01 RMM: 5 -0.363712978403E+03 0.16014E-03 -0.16527E-04 3892 0.315E-02 0.113E-01 RMM: 6 -0.363712901514E+03 0.76889E-04 -0.56353E-05 3305 0.220E-02 0.479E-02 RMM: 7 -0.363712907203E+03 -0.56897E-05 -0.25562E-05 2586 0.141E-02 5117 T= 6679. E= 0.70399482E+03 F= 0.64874109E+03 E0= 0.67973619E+03 EK= 0.55254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363076641223E+03 0.63626E+00 -0.18536E-01 8796 0.241E+01 0.213E-01 RMM: 2 -0.363089440330E+03 -0.12799E-01 -0.93296E-02 5529 0.639E-01 0.898E-01 RMM: 3 -0.363083548273E+03 0.58921E-02 -0.73204E-03 5734 0.176E-01 0.204E-01 RMM: 4 -0.363083350428E+03 0.19784E-03 -0.70429E-04 4644 0.573E-02 0.136E-01 RMM: 5 -0.363083243191E+03 0.10724E-03 -0.11614E-04 3792 0.250E-02 0.907E-02 RMM: 6 -0.363083207148E+03 0.36043E-04 -0.37500E-05 3052 0.180E-02 0.571E-02 RMM: 7 -0.363083247044E+03 -0.39896E-04 -0.54862E-05 3309 0.188E-02 0.102E-01 RMM: 8 -0.363083186322E+03 0.60723E-04 -0.60769E-05 3520 0.210E-02 0.348E-02 RMM: 9 -0.363083182847E+03 0.34752E-05 -0.13840E-05 2484 0.106E-02 5118 T= 6821. E= 0.70588953E+03 F= 0.64946561E+03 E0= 0.68042930E+03 EK= 0.56424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362588298394E+03 0.49489E+00 -0.19272E-01 8928 0.242E+01 0.254E-01 RMM: 2 -0.362606388710E+03 -0.18090E-01 -0.10926E-01 5347 0.720E-01 0.120E+00 RMM: 3 -0.362596598226E+03 0.97905E-02 -0.10393E-02 5658 0.207E-01 0.226E-01 RMM: 4 -0.362596320503E+03 0.27772E-03 -0.10620E-03 4654 0.726E-02 0.166E-01 RMM: 5 -0.362596210254E+03 0.11025E-03 -0.18850E-04 3885 0.333E-02 0.130E-01 RMM: 6 -0.362596106246E+03 0.10401E-03 -0.71904E-05 3499 0.243E-02 0.485E-02 RMM: 7 -0.362596114913E+03 -0.86670E-05 -0.27547E-05 2647 0.148E-02 5119 T= 6843. E= 0.70665053E+03 F= 0.65004369E+03 E0= 0.68097641E+03 EK= 0.56607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362328451483E+03 0.26765E+00 -0.19359E-01 8988 0.240E+01 0.219E-01 RMM: 2 -0.362343414921E+03 -0.14963E-01 -0.10450E-01 5400 0.687E-01 0.981E-01 RMM: 3 -0.362336523363E+03 0.68916E-02 -0.91181E-03 5587 0.198E-01 0.209E-01 RMM: 4 -0.362336267724E+03 0.25564E-03 -0.80647E-04 4704 0.584E-02 0.112E-01 RMM: 5 -0.362336207015E+03 0.60708E-04 -0.12284E-04 3856 0.262E-02 0.952E-02 RMM: 6 -0.362336166884E+03 0.40131E-04 -0.45467E-05 3138 0.190E-02 0.610E-02 RMM: 7 -0.362336222662E+03 -0.55778E-04 -0.73631E-05 3618 0.217E-02 0.115E-01 RMM: 8 -0.362336147644E+03 0.75018E-04 -0.50946E-05 3199 0.203E-02 0.417E-02 RMM: 9 -0.362336139629E+03 0.80148E-05 -0.15365E-05 2490 0.111E-02 5120 T= 6745. E= 0.70618945E+03 F= 0.65039193E+03 E0= 0.68129734E+03 EK= 0.55798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362362714219E+03 -0.26567E-01 -0.19381E-01 8988 0.237E+01 0.217E-01 RMM: 2 -0.362378981308E+03 -0.16267E-01 -0.10996E-01 5415 0.690E-01 0.104E+00 RMM: 3 -0.362370931222E+03 0.80501E-02 -0.78836E-03 5697 0.180E-01 0.173E-01 RMM: 4 -0.362370831282E+03 0.99940E-04 -0.82452E-04 4655 0.635E-02 0.172E-01 RMM: 5 -0.362370675205E+03 0.15608E-03 -0.15664E-04 3883 0.309E-02 0.107E-01 RMM: 6 -0.362370608767E+03 0.66437E-04 -0.56536E-05 3303 0.219E-02 0.459E-02 RMM: 7 -0.362370624111E+03 -0.15344E-04 -0.31426E-05 2734 0.156E-02 5121 T= 6574. E= 0.70482881E+03 F= 0.65044375E+03 E0= 0.68132698E+03 EK= 0.54385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362717419918E+03 -0.34681E+00 -0.18723E-01 9048 0.235E+01 0.201E-01 RMM: 2 -0.362730961681E+03 -0.13542E-01 -0.10000E-01 5528 0.647E-01 0.879E-01 RMM: 3 -0.362724840064E+03 0.61216E-02 -0.64929E-03 5500 0.172E-01 0.189E-01 RMM: 4 -0.362724653232E+03 0.18683E-03 -0.66847E-04 4707 0.535E-02 0.115E-01 RMM: 5 -0.362724591152E+03 0.62080E-04 -0.11384E-04 3870 0.260E-02 0.991E-02 RMM: 6 -0.362724541573E+03 0.49579E-04 -0.45547E-05 3158 0.193E-02 0.557E-02 RMM: 7 -0.362724595301E+03 -0.53728E-04 -0.72883E-05 3655 0.212E-02 0.112E-01 RMM: 8 -0.362724522959E+03 0.72342E-04 -0.41637E-05 3053 0.188E-02 0.347E-02 RMM: 9 -0.362724518406E+03 0.45539E-05 -0.13234E-05 2469 0.102E-02 5122 T= 6398. E= 0.70310697E+03 F= 0.65017458E+03 E0= 0.68104224E+03 EK= 0.52932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363368680503E+03 -0.64416E+00 -0.18456E-01 8880 0.233E+01 0.225E-01 RMM: 2 -0.363384687839E+03 -0.16007E-01 -0.10526E-01 5355 0.692E-01 0.106E+00 RMM: 3 -0.363376639763E+03 0.80481E-02 -0.83753E-03 5733 0.186E-01 0.197E-01 RMM: 4 -0.363376429214E+03 0.21055E-03 -0.87435E-04 4651 0.664E-02 0.152E-01 RMM: 5 -0.363376333118E+03 0.96096E-04 -0.15478E-04 3884 0.305E-02 0.117E-01 RMM: 6 -0.363376250021E+03 0.83097E-04 -0.54726E-05 3272 0.221E-02 0.399E-02 RMM: 7 -0.363376263509E+03 -0.13487E-04 -0.26073E-05 2586 0.142E-02 5123 T= 6277. E= 0.70153022E+03 F= 0.64960592E+03 E0= 0.68046470E+03 EK= 0.51924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364264192931E+03 -0.88794E+00 -0.18045E-01 8748 0.233E+01 0.212E-01 RMM: 2 -0.364278400895E+03 -0.14208E-01 -0.10197E-01 5430 0.675E-01 0.927E-01 RMM: 3 -0.364271990910E+03 0.64100E-02 -0.76253E-03 5647 0.180E-01 0.202E-01 RMM: 4 -0.364271779472E+03 0.21144E-03 -0.76067E-04 4672 0.601E-02 0.138E-01 RMM: 5 -0.364271673542E+03 0.10593E-03 -0.12515E-04 3854 0.263E-02 0.942E-02 RMM: 6 -0.364271629755E+03 0.43787E-04 -0.39263E-05 3070 0.184E-02 0.546E-02 RMM: 7 -0.364271672005E+03 -0.42251E-04 -0.72337E-05 3609 0.214E-02 0.105E-01 RMM: 8 -0.364271608275E+03 0.63730E-04 -0.51378E-05 3230 0.200E-02 0.331E-02 RMM: 9 -0.364271604406E+03 0.38690E-05 -0.12023E-05 2474 0.989E-03 5124 T= 6241. E= 0.70041735E+03 F= 0.64879162E+03 E0= 0.67964697E+03 EK= 0.51626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365333571653E+03 -0.10620E+01 -0.18338E-01 8640 0.234E+01 0.236E-01 RMM: 2 -0.365350552808E+03 -0.16981E-01 -0.10874E-01 5384 0.697E-01 0.111E+00 RMM: 3 -0.365341765616E+03 0.87872E-02 -0.89085E-03 5701 0.191E-01 0.171E-01 RMM: 4 -0.365341726065E+03 0.39551E-04 -0.91812E-04 4652 0.678E-02 0.203E-01 RMM: 5 -0.365341490502E+03 0.23556E-03 -0.17372E-04 3890 0.323E-02 0.103E-01 RMM: 6 -0.365341426430E+03 0.64072E-04 -0.51354E-05 3238 0.213E-02 0.425E-02 RMM: 7 -0.365341437166E+03 -0.10737E-04 -0.26311E-05 2600 0.141E-02 5125 T= 6292. E= 0.69985122E+03 F= 0.64780022E+03 E0= 0.67865644E+03 EK= 0.52051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366511357882E+03 -0.11699E+01 -0.18578E-01 8604 0.237E+01 0.213E-01 RMM: 2 -0.366525241626E+03 -0.13884E-01 -0.10246E-01 5522 0.670E-01 0.910E-01 RMM: 3 -0.366519216173E+03 0.60255E-02 -0.72549E-03 5763 0.172E-01 0.195E-01 RMM: 4 -0.366519052324E+03 0.16385E-03 -0.74670E-04 4651 0.611E-02 0.162E-01 RMM: 5 -0.366518887299E+03 0.16503E-03 -0.12987E-04 3832 0.276E-02 0.858E-02 RMM: 6 -0.366518856345E+03 0.30954E-04 -0.35969E-05 2997 0.179E-02 0.580E-02 RMM: 7 -0.366518887447E+03 -0.31102E-04 -0.63731E-05 3418 0.198E-02 0.100E-01 RMM: 8 -0.366518826692E+03 0.60755E-04 -0.61089E-05 3441 0.211E-02 0.304E-02 RMM: 9 -0.366518827235E+03 -0.54391E-06 -0.13969E-05 2485 0.107E-02 5126 T= 6406. E= 0.69969075E+03 F= 0.64669818E+03 E0= 0.67755740E+03 EK= 0.52993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367739298645E+03 -0.12205E+01 -0.19277E-01 8628 0.239E+01 0.237E-01 RMM: 2 -0.367754959606E+03 -0.15661E-01 -0.10735E-01 5419 0.694E-01 0.103E+00 RMM: 3 -0.367747447002E+03 0.75126E-02 -0.90531E-03 5732 0.189E-01 0.190E-01 RMM: 4 -0.367747357739E+03 0.89263E-04 -0.95245E-04 4640 0.699E-02 0.203E-01 RMM: 5 -0.367747123255E+03 0.23448E-03 -0.18214E-04 3889 0.330E-02 0.111E-01 RMM: 6 -0.367747048830E+03 0.74425E-04 -0.53008E-05 3265 0.216E-02 0.440E-02 RMM: 7 -0.367747058144E+03 -0.93137E-05 -0.28014E-05 2633 0.144E-02 5127 T= 6537. E= 0.69962349E+03 F= 0.64554194E+03 E0= 0.67640400E+03 EK= 0.54082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368970719398E+03 -0.12237E+01 -0.19463E-01 8628 0.242E+01 0.196E-01 RMM: 2 -0.368983146501E+03 -0.12427E-01 -0.98240E-02 5484 0.655E-01 0.800E-01 RMM: 3 -0.368978241733E+03 0.49048E-02 -0.70059E-03 5717 0.169E-01 0.182E-01 RMM: 4 -0.368978129059E+03 0.11267E-03 -0.71156E-04 4645 0.586E-02 0.160E-01 RMM: 5 -0.368977967194E+03 0.16186E-03 -0.12543E-04 3804 0.273E-02 0.790E-02 RMM: 6 -0.368977946472E+03 0.20722E-04 -0.32811E-05 2910 0.171E-02 0.619E-02 RMM: 7 -0.368977974924E+03 -0.28452E-04 -0.71771E-05 3538 0.206E-02 0.101E-01 RMM: 8 -0.368977913108E+03 0.61816E-04 -0.57999E-05 3311 0.207E-02 0.274E-02 RMM: 9 -0.368977916000E+03 -0.28919E-05 -0.13978E-05 2489 0.107E-02 5128 T= 6635. E= 0.69927172E+03 F= 0.64437969E+03 E0= 0.67524261E+03 EK= 0.54892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370163007066E+03 -0.11851E+01 -0.20134E-01 8328 0.243E+01 0.209E-01 RMM: 2 -0.370176034325E+03 -0.13027E-01 -0.10424E-01 5323 0.686E-01 0.799E-01 RMM: 3 -0.370171064717E+03 0.49696E-02 -0.84552E-03 5674 0.183E-01 0.170E-01 RMM: 4 -0.370171038111E+03 0.26606E-04 -0.79492E-04 4641 0.635E-02 0.197E-01 RMM: 5 -0.370170808838E+03 0.22927E-03 -0.16328E-04 3885 0.314E-02 0.100E-01 RMM: 6 -0.370170748597E+03 0.60241E-04 -0.45391E-05 3160 0.201E-02 0.382E-02 RMM: 7 -0.370170759441E+03 -0.10844E-04 -0.26941E-05 2618 0.139E-02 5129 T= 6660. E= 0.69834432E+03 F= 0.64325222E+03 E0= 0.67411243E+03 EK= 0.55092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371279229032E+03 -0.11085E+01 -0.19813E-01 8448 0.242E+01 0.176E-01 RMM: 2 -0.371289848040E+03 -0.10619E-01 -0.89867E-02 5368 0.641E-01 0.674E-01 RMM: 3 -0.371286098098E+03 0.37499E-02 -0.64042E-03 5747 0.162E-01 0.150E-01 RMM: 4 -0.371286030195E+03 0.67902E-04 -0.55716E-04 4601 0.526E-02 0.147E-01 RMM: 5 -0.371285898015E+03 0.13218E-03 -0.10441E-04 3705 0.260E-02 0.718E-02 RMM: 6 -0.371285881211E+03 0.16805E-04 -0.29579E-05 2788 0.164E-02 5130 T= 6598. E= 0.69677995E+03 F= 0.64219941E+03 E0= 0.67305207E+03 EK= 0.54581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372275332787E+03 -0.98943E+00 -0.19579E-01 8520 0.240E+01 0.272E-01 RMM: 2 -0.372295589196E+03 -0.20256E-01 -0.94673E-02 5202 0.665E-01 0.139E+00 RMM: 3 -0.372282556527E+03 0.13033E-01 -0.10218E-02 5355 0.232E-01 0.288E-01 RMM: 4 -0.372282050303E+03 0.50622E-03 -0.11627E-03 4662 0.708E-02 0.119E-01 RMM: 5 -0.372282013920E+03 0.36383E-04 -0.16530E-04 3880 0.325E-02 0.116E-01 RMM: 6 -0.372281934863E+03 0.79056E-04 -0.53298E-05 3258 0.214E-02 0.505E-02 RMM: 7 -0.372281956853E+03 -0.21989E-04 -0.44394E-05 3100 0.187E-02 0.819E-02 RMM: 8 -0.372281926891E+03 0.29961E-04 -0.51070E-05 2908 0.177E-02 0.498E-02 RMM: 9 -0.372281912990E+03 0.13902E-04 -0.18048E-05 2495 0.126E-02 5131 T= 6470. E= 0.69478758E+03 F= 0.64126270E+03 E0= 0.67210258E+03 EK= 0.53525E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373113844614E+03 -0.83192E+00 -0.19225E-01 8352 0.238E+01 0.328E-01 RMM: 2 -0.373143408924E+03 -0.29564E-01 -0.10251E-01 5098 0.718E-01 0.185E+00 RMM: 3 -0.373121285914E+03 0.22123E-01 -0.12917E-02 5365 0.267E-01 0.342E-01 RMM: 4 -0.373120526758E+03 0.75916E-03 -0.16775E-03 4808 0.878E-02 0.121E-01 RMM: 5 -0.373120577601E+03 -0.50843E-04 -0.22382E-04 3882 0.359E-02 0.164E-01 RMM: 6 -0.373120408497E+03 0.16910E-03 -0.75804E-05 3527 0.255E-02 0.369E-02 RMM: 7 -0.373120411745E+03 -0.32479E-05 -0.22920E-05 2562 0.140E-02 5132 T= 6319. E= 0.69275839E+03 F= 0.64048036E+03 E0= 0.67130275E+03 EK= 0.52278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373759211467E+03 -0.63880E+00 -0.18708E-01 8520 0.235E+01 0.203E-01 RMM: 2 -0.373774518799E+03 -0.15307E-01 -0.95332E-02 5302 0.650E-01 0.104E+00 RMM: 3 -0.373766591730E+03 0.79271E-02 -0.78186E-03 5381 0.194E-01 0.188E-01 RMM: 4 -0.373766430173E+03 0.16156E-03 -0.78380E-04 4705 0.577E-02 0.123E-01 RMM: 5 -0.373766361535E+03 0.68638E-04 -0.11350E-04 3806 0.276E-02 0.923E-02 RMM: 6 -0.373766313919E+03 0.47616E-04 -0.38288E-05 3033 0.183E-02 0.476E-02 RMM: 7 -0.373766349958E+03 -0.36039E-04 -0.45864E-05 3123 0.185E-02 0.939E-02 RMM: 8 -0.373766299327E+03 0.50631E-04 -0.46560E-05 2991 0.188E-02 0.336E-02 RMM: 9 -0.373766295008E+03 0.43182E-05 -0.14182E-05 2462 0.109E-02 5133 T= 6192. E= 0.69111537E+03 F= 0.63988709E+03 E0= 0.67068906E+03 EK= 0.51228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374184327394E+03 -0.41803E+00 -0.17688E-01 8460 0.234E+01 0.216E-01 RMM: 2 -0.374199787307E+03 -0.15460E-01 -0.99381E-02 5149 0.674E-01 0.105E+00 RMM: 3 -0.374191948640E+03 0.78387E-02 -0.86807E-03 5611 0.193E-01 0.174E-01 RMM: 4 -0.374191852147E+03 0.96493E-04 -0.82133E-04 4666 0.632E-02 0.165E-01 RMM: 5 -0.374191696338E+03 0.15581E-03 -0.14011E-04 3847 0.298E-02 0.902E-02 RMM: 6 -0.374191648082E+03 0.48256E-04 -0.33784E-05 2926 0.177E-02 0.374E-02 RMM: 7 -0.374191652189E+03 -0.41074E-05 -0.22132E-05 2533 0.134E-02 5134 T= 6125. E= 0.69018173E+03 F= 0.63951026E+03 E0= 0.67028890E+03 EK= 0.50671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374365932749E+03 -0.17428E+00 -0.17406E-01 8556 0.233E+01 0.177E-01 RMM: 2 -0.374377601711E+03 -0.11669E-01 -0.91214E-02 5320 0.634E-01 0.756E-01 RMM: 3 -0.374373088306E+03 0.45134E-02 -0.68185E-03 5619 0.167E-01 0.159E-01 RMM: 4 -0.374372962285E+03 0.12602E-03 -0.56608E-04 4626 0.510E-02 0.122E-01 RMM: 5 -0.374372867021E+03 0.95264E-04 -0.88872E-05 3665 0.242E-02 0.676E-02 RMM: 6 -0.374372850734E+03 0.16287E-04 -0.27940E-05 2731 0.158E-02 5135 T= 6134. E= 0.69011719E+03 F= 0.63937295E+03 E0= 0.67012775E+03 EK= 0.50744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374282887790E+03 0.89979E-01 -0.17338E-01 8712 0.235E+01 0.266E-01 RMM: 2 -0.374307148759E+03 -0.24261E-01 -0.90385E-02 5312 0.643E-01 0.161E+00 RMM: 3 -0.374289503349E+03 0.17645E-01 -0.95748E-03 5354 0.225E-01 0.238E-01 RMM: 4 -0.374289183570E+03 0.31978E-03 -0.10993E-03 4667 0.679E-02 0.124E-01 RMM: 5 -0.374289111945E+03 0.71624E-04 -0.14272E-04 3889 0.293E-02 0.104E-01 RMM: 6 -0.374289050828E+03 0.61117E-04 -0.39386E-05 3024 0.189E-02 0.504E-02 RMM: 7 -0.374289064223E+03 -0.13395E-04 -0.39021E-05 2954 0.174E-02 5136 T= 6214. E= 0.69089866E+03 F= 0.63949559E+03 E0= 0.67022657E+03 EK= 0.51403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373920085360E+03 0.36897E+00 -0.17526E-01 8688 0.237E+01 0.284E-01 RMM: 2 -0.373946045993E+03 -0.25961E-01 -0.89770E-02 5295 0.655E-01 0.171E+00 RMM: 3 -0.373926581280E+03 0.19465E-01 -0.10122E-02 5366 0.237E-01 0.297E-01 RMM: 4 -0.373926017936E+03 0.56334E-03 -0.13236E-03 4668 0.771E-02 0.108E-01 RMM: 5 -0.373926029548E+03 -0.11612E-04 -0.17646E-04 3884 0.332E-02 5137 T= 6339. E= 0.69233253E+03 F= 0.63989230E+03 E0= 0.67060244E+03 EK= 0.52440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373282259168E+03 0.64376E+00 -0.17902E-01 8676 0.240E+01 0.217E-01 RMM: 2 -0.373300340690E+03 -0.18082E-01 -0.10127E-01 5376 0.666E-01 0.121E+00 RMM: 3 -0.373289916624E+03 0.10424E-01 -0.79735E-03 5466 0.196E-01 0.204E-01 RMM: 4 -0.373289669227E+03 0.24740E-03 -0.74839E-04 4781 0.542E-02 0.107E-01 RMM: 5 -0.373289577210E+03 0.92017E-04 -0.10186E-04 3825 0.247E-02 0.945E-02 RMM: 6 -0.373289543302E+03 0.33908E-04 -0.68818E-05 3466 0.218E-02 0.864E-02 RMM: 7 -0.373289630732E+03 -0.87430E-04 -0.17419E-04 3891 0.296E-02 0.162E-01 RMM: 8 -0.373289463534E+03 0.16720E-03 -0.14998E-04 3887 0.289E-02 0.343E-02 RMM: 9 -0.373289459982E+03 0.35520E-05 -0.18316E-05 2535 0.123E-02 5138 T= 6471. E= 0.69409133E+03 F= 0.64055745E+03 E0= 0.67124808E+03 EK= 0.53534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372416552597E+03 0.87291E+00 -0.18375E-01 8328 0.241E+01 0.191E-01 RMM: 2 -0.372428620865E+03 -0.12068E-01 -0.10720E-01 5322 0.671E-01 0.670E-01 RMM: 3 -0.372424395749E+03 0.42251E-02 -0.70130E-03 5596 0.178E-01 0.163E-01 RMM: 4 -0.372424520461E+03 -0.12471E-03 -0.74418E-04 4645 0.600E-02 0.225E-01 RMM: 5 -0.372424205616E+03 0.31484E-03 -0.17802E-04 3884 0.346E-02 0.776E-02 RMM: 6 -0.372424171685E+03 0.33932E-04 -0.33276E-05 2923 0.178E-02 0.359E-02 RMM: 7 -0.372424182626E+03 -0.10941E-04 -0.22703E-05 2548 0.136E-02 5139 T= 6570. E= 0.69579908E+03 F= 0.64144648E+03 E0= 0.67212212E+03 EK= 0.54353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371422891296E+03 0.10013E+01 -0.19353E-01 8712 0.241E+01 0.197E-01 RMM: 2 -0.371437864057E+03 -0.14973E-01 -0.11787E-01 5438 0.735E-01 0.831E-01 RMM: 3 -0.371432183498E+03 0.56806E-02 -0.82437E-03 5556 0.191E-01 0.190E-01 RMM: 4 -0.371431976603E+03 0.20690E-03 -0.67826E-04 4780 0.534E-02 0.114E-01 RMM: 5 -0.371431881399E+03 0.95204E-04 -0.88710E-05 3741 0.244E-02 0.818E-02 RMM: 6 -0.371431862018E+03 0.19381E-04 -0.32812E-05 2855 0.167E-02 5140 T= 6611. E= 0.69715196E+03 F= 0.64245806E+03 E0= 0.67312266E+03 EK= 0.54694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370460564338E+03 0.97132E+00 -0.19959E-01 8568 0.240E+01 0.383E-01 RMM: 2 -0.370503912456E+03 -0.43348E-01 -0.14092E-01 5153 0.868E-01 0.224E+00 RMM: 3 -0.370471354783E+03 0.32558E-01 -0.19072E-02 5348 0.329E-01 0.412E-01 RMM: 4 -0.370470253838E+03 0.11009E-02 -0.21448E-03 4996 0.940E-02 0.120E-01 RMM: 5 -0.370470210045E+03 0.43793E-04 -0.23952E-04 3930 0.370E-02 0.124E-01 RMM: 6 -0.370470128045E+03 0.82000E-04 -0.66270E-05 3457 0.230E-02 0.776E-02 RMM: 7 -0.370470158737E+03 -0.30693E-04 -0.75283E-05 3629 0.232E-02 0.108E-01 RMM: 8 -0.370470101725E+03 0.57012E-04 -0.11299E-04 3884 0.253E-02 0.689E-02 RMM: 9 -0.370470078512E+03 0.23213E-04 -0.34415E-05 2925 0.165E-02 0.331E-02 RMM: 10 -0.370470083094E+03 -0.45818E-05 -0.14356E-05 2482 0.116E-02 5141 T= 6597. E= 0.69800956E+03 F= 0.64343494E+03 E0= 0.67409048E+03 EK= 0.54575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369707011920E+03 0.76307E+00 -0.18656E-01 7764 0.238E+01 0.373E-01 RMM: 2 -0.369745522398E+03 -0.38510E-01 -0.12891E-01 5105 0.839E-01 0.207E+00 RMM: 3 -0.369717094110E+03 0.28428E-01 -0.17428E-02 5369 0.309E-01 0.396E-01 RMM: 4 -0.369716206574E+03 0.88754E-03 -0.25036E-03 5210 0.109E-01 0.189E-01 RMM: 5 -0.369716139734E+03 0.66841E-04 -0.36452E-04 4101 0.471E-02 0.179E-01 RMM: 6 -0.369715932313E+03 0.20742E-03 -0.10025E-04 3741 0.281E-02 0.414E-02 RMM: 7 -0.369715939644E+03 -0.73312E-05 -0.30158E-05 2771 0.157E-02 5142 T= 6552. E= 0.69840408E+03 F= 0.64420021E+03 E0= 0.67485070E+03 EK= 0.54204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369295508567E+03 0.42042E+00 -0.17628E-01 7656 0.236E+01 0.218E-01 RMM: 2 -0.369310828620E+03 -0.15320E-01 -0.92334E-02 5132 0.709E-01 0.108E+00 RMM: 3 -0.369302981259E+03 0.78474E-02 -0.91450E-03 5406 0.210E-01 0.222E-01 RMM: 4 -0.369302678677E+03 0.30258E-03 -0.75863E-04 4696 0.583E-02 0.932E-02 RMM: 5 -0.369302648745E+03 0.29932E-04 -0.10857E-04 3866 0.279E-02 0.940E-02 RMM: 6 -0.369302604232E+03 0.44513E-04 -0.39178E-05 3000 0.182E-02 0.609E-02 RMM: 7 -0.369302657926E+03 -0.53694E-04 -0.81609E-05 3704 0.233E-02 0.116E-01 RMM: 8 -0.369302579467E+03 0.78459E-04 -0.72157E-05 3706 0.223E-02 0.397E-02 RMM: 9 -0.369302572162E+03 0.73047E-05 -0.15230E-05 2485 0.115E-02 5143 T= 6509. E= 0.69846428E+03 F= 0.64462086E+03 E0= 0.67526855E+03 EK= 0.53843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369261105253E+03 0.41474E-01 -0.18418E-01 7908 0.236E+01 0.210E-01 RMM: 2 -0.369276833358E+03 -0.15728E-01 -0.11535E-01 4794 0.797E-01 0.945E-01 RMM: 3 -0.369270538283E+03 0.62951E-02 -0.11881E-02 5521 0.227E-01 0.160E-01 RMM: 4 -0.369270499298E+03 0.38985E-04 -0.90581E-04 4694 0.684E-02 0.181E-01 RMM: 5 -0.369270318031E+03 0.18127E-03 -0.16267E-04 3894 0.339E-02 0.851E-02 RMM: 6 -0.369270274822E+03 0.43209E-04 -0.39979E-05 3027 0.187E-02 0.351E-02 RMM: 7 -0.369270281965E+03 -0.71425E-05 -0.20460E-05 2522 0.139E-02 5144 T= 6487. E= 0.69831840E+03 F= 0.64465663E+03 E0= 0.67530391E+03 EK= 0.53662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369556966416E+03 -0.28669E+00 -0.18207E-01 8388 0.237E+01 0.198E-01 RMM: 2 -0.369571326810E+03 -0.14360E-01 -0.10255E-01 5296 0.726E-01 0.913E-01 RMM: 3 -0.369565321282E+03 0.60055E-02 -0.88702E-03 5438 0.201E-01 0.188E-01 RMM: 4 -0.369565149244E+03 0.17204E-03 -0.74486E-04 4678 0.583E-02 0.123E-01 RMM: 5 -0.369565059685E+03 0.89558E-04 -0.10930E-04 3849 0.273E-02 0.809E-02 RMM: 6 -0.369565031214E+03 0.28471E-04 -0.32609E-05 2856 0.170E-02 0.571E-02 RMM: 7 -0.369565048200E+03 -0.16986E-04 -0.53890E-05 3232 0.200E-02 5145 T= 6488. E= 0.69803297E+03 F= 0.64436152E+03 E0= 0.67501055E+03 EK= 0.53671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370070225081E+03 -0.50519E+00 -0.19327E-01 8940 0.237E+01 0.234E-01 RMM: 2 -0.370088304808E+03 -0.18080E-01 -0.12111E-01 5229 0.781E-01 0.109E+00 RMM: 3 -0.370079906401E+03 0.83984E-02 -0.10627E-02 5471 0.222E-01 0.218E-01 RMM: 4 -0.370079678051E+03 0.22835E-03 -0.95707E-04 4670 0.662E-02 0.144E-01 RMM: 5 -0.370079564049E+03 0.11400E-03 -0.15247E-04 3883 0.320E-02 0.980E-02 RMM: 6 -0.370079518538E+03 0.45511E-04 -0.48236E-05 3152 0.204E-02 0.604E-02 RMM: 7 -0.370079537183E+03 -0.18645E-04 -0.42350E-05 2942 0.185E-02 5146 T= 6499. E= 0.69760794E+03 F= 0.64384278E+03 E0= 0.67449421E+03 EK= 0.53765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370697819681E+03 -0.61830E+00 -0.20311E-01 9108 0.238E+01 0.247E-01 RMM: 2 -0.370718484899E+03 -0.20665E-01 -0.13144E-01 5365 0.790E-01 0.119E+00 RMM: 3 -0.370708338164E+03 0.10147E-01 -0.10882E-02 5443 0.224E-01 0.234E-01 RMM: 4 -0.370708045800E+03 0.29236E-03 -0.10272E-03 4702 0.665E-02 0.140E-01 RMM: 5 -0.370707926997E+03 0.11880E-03 -0.14599E-04 3880 0.314E-02 0.956E-02 RMM: 6 -0.370707893065E+03 0.33932E-04 -0.42958E-05 3061 0.191E-02 0.730E-02 RMM: 7 -0.370707911449E+03 -0.18384E-04 -0.67670E-05 3505 0.212E-02 5147 T= 6504. E= 0.69701335E+03 F= 0.64320616E+03 E0= 0.67385994E+03 EK= 0.53807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371365083912E+03 -0.65719E+00 -0.21032E-01 9132 0.238E+01 0.227E-01 RMM: 2 -0.371385048570E+03 -0.19965E-01 -0.13881E-01 5353 0.790E-01 0.110E+00 RMM: 3 -0.371376122863E+03 0.89257E-02 -0.10429E-02 5488 0.217E-01 0.224E-01 RMM: 4 -0.371375871300E+03 0.25156E-03 -0.98526E-04 4721 0.652E-02 0.138E-01 RMM: 5 -0.371375762077E+03 0.10922E-03 -0.14488E-04 3885 0.305E-02 0.101E-01 RMM: 6 -0.371375718980E+03 0.43097E-04 -0.47381E-05 3146 0.201E-02 0.685E-02 RMM: 7 -0.371375742576E+03 -0.23596E-04 -0.59738E-05 3354 0.204E-02 0.101E-01 RMM: 8 -0.371375681505E+03 0.61071E-04 -0.63680E-05 3431 0.204E-02 0.408E-02 RMM: 9 -0.371375683127E+03 -0.16217E-05 -0.28379E-05 2631 0.141E-02 5148 T= 6492. E= 0.69623644E+03 F= 0.64252601E+03 E0= 0.67318217E+03 EK= 0.53710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372030796112E+03 -0.65511E+00 -0.21290E-01 9060 0.237E+01 0.215E-01 RMM: 2 -0.372048755269E+03 -0.17959E-01 -0.13907E-01 5424 0.754E-01 0.934E-01 RMM: 3 -0.372041456457E+03 0.72988E-02 -0.90780E-03 5536 0.199E-01 0.158E-01 RMM: 4 -0.372041507569E+03 -0.51112E-04 -0.89589E-04 4701 0.634E-02 0.205E-01 RMM: 5 -0.372041232153E+03 0.27542E-03 -0.16360E-04 3883 0.323E-02 0.738E-02 RMM: 6 -0.372041209479E+03 0.22674E-04 -0.40559E-05 3041 0.187E-02 0.551E-02 RMM: 7 -0.372041214236E+03 -0.47567E-05 -0.33219E-05 2637 0.162E-02 5149 T= 6463. E= 0.69531338E+03 F= 0.64184380E+03 E0= 0.67249928E+03 EK= 0.53470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372673086045E+03 -0.63188E+00 -0.21309E-01 8988 0.236E+01 0.188E-01 RMM: 2 -0.372689341733E+03 -0.16256E-01 -0.13349E-01 5490 0.722E-01 0.815E-01 RMM: 3 -0.372683346522E+03 0.59952E-02 -0.78359E-03 5579 0.187E-01 0.180E-01 RMM: 4 -0.372683181986E+03 0.16454E-03 -0.71189E-04 4838 0.519E-02 0.114E-01 RMM: 5 -0.372683091845E+03 0.90141E-04 -0.87804E-05 3764 0.232E-02 0.844E-02 RMM: 6 -0.372683085436E+03 0.64086E-05 -0.47419E-05 3153 0.191E-02 5150 T= 6425. E= 0.69433192E+03 F= 0.64118077E+03 E0= 0.67183530E+03 EK= 0.53151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373277506986E+03 -0.59442E+00 -0.21378E-01 8808 0.234E+01 0.334E-01 RMM: 2 -0.373316487278E+03 -0.38980E-01 -0.14034E-01 5350 0.757E-01 0.205E+00 RMM: 3 -0.373288148499E+03 0.28339E-01 -0.15832E-02 5357 0.295E-01 0.361E-01 RMM: 4 -0.373287329222E+03 0.81928E-03 -0.18836E-03 4816 0.870E-02 0.115E-01 RMM: 5 -0.373287314707E+03 0.14515E-04 -0.22405E-04 3909 0.350E-02 0.126E-01 RMM: 6 -0.373287224285E+03 0.90422E-04 -0.56622E-05 3297 0.218E-02 0.594E-02 RMM: 7 -0.373287239085E+03 -0.14800E-04 -0.44104E-05 3080 0.190E-02 5151 T= 6389. E= 0.69340222E+03 F= 0.64055078E+03 E0= 0.67120294E+03 EK= 0.52851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373820455685E+03 -0.53323E+00 -0.21116E-01 8796 0.234E+01 0.426E-01 RMM: 2 -0.373872082047E+03 -0.51626E-01 -0.14752E-01 5280 0.826E-01 0.249E+00 RMM: 3 -0.373830903087E+03 0.41179E-01 -0.19888E-02 5326 0.340E-01 0.470E-01 RMM: 4 -0.373829373689E+03 0.15294E-02 -0.26922E-03 5110 0.110E-01 0.123E-01 RMM: 5 -0.373829442554E+03 -0.68865E-04 -0.35424E-04 3929 0.422E-02 0.170E-01 RMM: 6 -0.373829259545E+03 0.18301E-03 -0.10185E-04 3841 0.280E-02 0.557E-02 RMM: 7 -0.373829263399E+03 -0.38535E-05 -0.31923E-05 2874 0.156E-02 5152 T= 6364. E= 0.69262562E+03 F= 0.63997809E+03 E0= 0.67062696E+03 EK= 0.52648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374258516760E+03 -0.42926E+00 -0.21466E-01 8976 0.234E+01 0.340E-01 RMM: 2 -0.374296089252E+03 -0.37572E-01 -0.14334E-01 5247 0.785E-01 0.199E+00 RMM: 3 -0.374269270441E+03 0.26819E-01 -0.15334E-02 5369 0.289E-01 0.332E-01 RMM: 4 -0.374268561270E+03 0.70917E-03 -0.17233E-03 4771 0.834E-02 0.122E-01 RMM: 5 -0.374268550246E+03 0.11024E-04 -0.24634E-04 3886 0.390E-02 0.133E-01 RMM: 6 -0.374268441775E+03 0.10847E-03 -0.88072E-05 3712 0.263E-02 0.525E-02 RMM: 7 -0.374268461964E+03 -0.20189E-04 -0.36083E-05 2926 0.174E-02 0.818E-02 RMM: 8 -0.374268435549E+03 0.26415E-04 -0.55220E-05 3300 0.202E-02 0.544E-02 RMM: 9 -0.374268419012E+03 0.16537E-04 -0.20059E-05 2539 0.136E-02 5153 T= 6354. E= 0.69207048E+03 F= 0.63950336E+03 E0= 0.67014963E+03 EK= 0.52567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374545684099E+03 -0.27725E+00 -0.20117E-01 8988 0.235E+01 0.252E-01 RMM: 2 -0.374567267375E+03 -0.21583E-01 -0.12991E-01 5341 0.730E-01 0.125E+00 RMM: 3 -0.374555444471E+03 0.11823E-01 -0.98650E-03 5404 0.222E-01 0.238E-01 RMM: 4 -0.374555135840E+03 0.30863E-03 -0.11904E-03 4687 0.715E-02 0.137E-01 RMM: 5 -0.374555065240E+03 0.70600E-04 -0.18430E-04 3880 0.345E-02 0.116E-01 RMM: 6 -0.374554980665E+03 0.84575E-04 -0.56812E-05 3307 0.221E-02 0.423E-02 RMM: 7 -0.374554997178E+03 -0.16513E-04 -0.33133E-05 2786 0.164E-02 5154 T= 6357. E= 0.69176376E+03 F= 0.63917625E+03 E0= 0.66982042E+03 EK= 0.52588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374631717191E+03 -0.76737E-01 -0.19563E-01 9108 0.236E+01 0.201E-01 RMM: 2 -0.374647526110E+03 -0.15809E-01 -0.12033E-01 5400 0.705E-01 0.898E-01 RMM: 3 -0.374640878609E+03 0.66475E-02 -0.79265E-03 5624 0.188E-01 0.182E-01 RMM: 4 -0.374640695113E+03 0.18350E-03 -0.72842E-04 4755 0.547E-02 0.114E-01 RMM: 5 -0.374640614609E+03 0.80504E-04 -0.11658E-04 3880 0.278E-02 0.860E-02 RMM: 6 -0.374640586738E+03 0.27872E-04 -0.48829E-05 3199 0.194E-02 0.668E-02 RMM: 7 -0.374640612433E+03 -0.25695E-04 -0.68639E-05 3626 0.212E-02 0.102E-01 RMM: 8 -0.374640546952E+03 0.65481E-04 -0.37810E-05 3024 0.181E-02 0.289E-02 RMM: 9 -0.374640549890E+03 -0.29382E-05 -0.16093E-05 2497 0.111E-02 5155 T= 6365. E= 0.69169882E+03 F= 0.63904523E+03 E0= 0.66968916E+03 EK= 0.52654E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374477551535E+03 0.16300E+00 -0.19679E-01 8988 0.237E+01 0.205E-01 RMM: 2 -0.374492879262E+03 -0.15328E-01 -0.12148E-01 5288 0.728E-01 0.851E-01 RMM: 3 -0.374486890427E+03 0.59888E-02 -0.86773E-03 5800 0.187E-01 0.169E-01 RMM: 4 -0.374486755595E+03 0.13483E-03 -0.78324E-04 4650 0.624E-02 0.164E-01 RMM: 5 -0.374486602601E+03 0.15299E-03 -0.15995E-04 3876 0.328E-02 0.886E-02 RMM: 6 -0.374486558819E+03 0.43781E-04 -0.44390E-05 3141 0.198E-02 0.425E-02 RMM: 7 -0.374486571346E+03 -0.12527E-04 -0.28329E-05 2589 0.148E-02 5156 T= 6371. E= 0.69185468E+03 F= 0.63914891E+03 E0= 0.66979343E+03 EK= 0.52706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374069996677E+03 0.41656E+00 -0.19291E-01 9024 0.238E+01 0.174E-01 RMM: 2 -0.374082050838E+03 -0.12054E-01 -0.10638E-01 5445 0.680E-01 0.652E-01 RMM: 3 -0.374078234636E+03 0.38162E-02 -0.66477E-03 5906 0.164E-01 0.147E-01 RMM: 4 -0.374078118048E+03 0.11659E-03 -0.50619E-04 4471 0.477E-02 0.127E-01 RMM: 5 -0.374077992160E+03 0.12589E-03 -0.95979E-05 3785 0.252E-02 0.695E-02 RMM: 6 -0.374078006018E+03 -0.13858E-04 -0.58979E-05 3346 0.209E-02 5157 T= 6372. E= 0.69221445E+03 F= 0.63950247E+03 E0= 0.67014933E+03 EK= 0.52712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373425801820E+03 0.65219E+00 -0.19279E-01 8820 0.238E+01 0.312E-01 RMM: 2 -0.373456241954E+03 -0.30440E-01 -0.11197E-01 5230 0.725E-01 0.182E+00 RMM: 3 -0.373434119150E+03 0.22123E-01 -0.12925E-02 5369 0.265E-01 0.305E-01 RMM: 4 -0.373433542516E+03 0.57663E-03 -0.14815E-03 4682 0.774E-02 0.115E-01 RMM: 5 -0.373433515653E+03 0.26863E-04 -0.19159E-04 3891 0.341E-02 0.126E-01 RMM: 6 -0.373433421795E+03 0.93858E-04 -0.62083E-05 3367 0.228E-02 0.571E-02 RMM: 7 -0.373433437582E+03 -0.15787E-04 -0.47823E-05 3152 0.197E-02 5158 T= 6369. E= 0.69277458E+03 F= 0.64008751E+03 E0= 0.67073796E+03 EK= 0.52687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372593753175E+03 0.83967E+00 -0.18887E-01 8340 0.238E+01 0.338E-01 RMM: 2 -0.372628170899E+03 -0.34418E-01 -0.11194E-01 5245 0.753E-01 0.201E+00 RMM: 3 -0.372602171789E+03 0.25999E-01 -0.14214E-02 5346 0.282E-01 0.391E-01 RMM: 4 -0.372601149608E+03 0.10222E-02 -0.18562E-03 4816 0.915E-02 0.114E-01 RMM: 5 -0.372601197202E+03 -0.47594E-04 -0.26034E-04 3910 0.402E-02 0.152E-01 RMM: 6 -0.372601038515E+03 0.15869E-03 -0.73012E-05 3486 0.243E-02 0.464E-02 RMM: 7 -0.372601052784E+03 -0.14269E-04 -0.36449E-05 2931 0.171E-02 5159 T= 6369. E= 0.69354289E+03 F= 0.64085607E+03 E0= 0.67150983E+03 EK= 0.52687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371646790253E+03 0.95425E+00 -0.18707E-01 8352 0.238E+01 0.322E-01 RMM: 2 -0.371674894466E+03 -0.28104E-01 -0.11257E-01 5088 0.770E-01 0.173E+00 RMM: 3 -0.371655200107E+03 0.19694E-01 -0.14333E-02 5348 0.279E-01 0.278E-01 RMM: 4 -0.371654731007E+03 0.46910E-03 -0.14924E-03 4739 0.766E-02 0.123E-01 RMM: 5 -0.371654724315E+03 0.66920E-05 -0.20988E-04 3900 0.368E-02 0.142E-01 RMM: 6 -0.371654599071E+03 0.12524E-03 -0.83154E-05 3605 0.261E-02 0.492E-02 RMM: 7 -0.371654616003E+03 -0.16932E-04 -0.30245E-05 2728 0.163E-02 5160 T= 6380. E= 0.69451851E+03 F= 0.64173467E+03 E0= 0.67239271E+03 EK= 0.52784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370675102622E+03 0.97950E+00 -0.17381E-01 7728 0.238E+01 0.262E-01 RMM: 2 -0.370692949970E+03 -0.17847E-01 -0.98618E-02 5135 0.728E-01 0.123E+00 RMM: 3 -0.370682898891E+03 0.10051E-01 -0.10723E-02 5369 0.232E-01 0.274E-01 RMM: 4 -0.370682476658E+03 0.42223E-03 -0.11548E-03 4673 0.713E-02 0.133E-01 RMM: 5 -0.370682436589E+03 0.40069E-04 -0.20126E-04 3887 0.370E-02 0.128E-01 RMM: 6 -0.370682332314E+03 0.10428E-03 -0.68820E-05 3427 0.239E-02 0.468E-02 RMM: 7 -0.370682354003E+03 -0.21689E-04 -0.35986E-05 2887 0.174E-02 0.812E-02 RMM: 8 -0.370682313095E+03 0.40908E-04 -0.43068E-05 2741 0.190E-02 0.415E-02 RMM: 9 -0.370682303576E+03 0.95194E-05 -0.14703E-05 2475 0.114E-02 5161 T= 6410. E= 0.69566750E+03 F= 0.64263544E+03 E0= 0.67329707E+03 EK= 0.53032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369759227714E+03 0.92309E+00 -0.16619E-01 7476 0.238E+01 0.234E-01 RMM: 2 -0.369774500918E+03 -0.15273E-01 -0.91648E-02 5091 0.701E-01 0.110E+00 RMM: 3 -0.369766417312E+03 0.80836E-02 -0.92739E-03 5400 0.210E-01 0.170E-01 RMM: 4 -0.369766352019E+03 0.65293E-04 -0.86686E-04 4644 0.640E-02 0.169E-01 RMM: 5 -0.369766202974E+03 0.14904E-03 -0.15220E-04 3882 0.319E-02 0.105E-01 RMM: 6 -0.369766136473E+03 0.66501E-04 -0.61223E-05 3358 0.228E-02 0.387E-02 RMM: 7 -0.369766160142E+03 -0.23669E-04 -0.31875E-05 2711 0.162E-02 0.823E-02 RMM: 8 -0.369766117197E+03 0.42944E-04 -0.30915E-05 2581 0.168E-02 0.293E-02 RMM: 9 -0.369766112910E+03 0.42874E-05 -0.10366E-05 2437 0.923E-03 5162 T= 6459. E= 0.69690696E+03 F= 0.64347667E+03 E0= 0.67414085E+03 EK= 0.53430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368962399872E+03 0.80372E+00 -0.16047E-01 7272 0.238E+01 0.215E-01 RMM: 2 -0.368975201245E+03 -0.12801E-01 -0.75239E-02 5162 0.658E-01 0.104E+00 RMM: 3 -0.368968309464E+03 0.68918E-02 -0.75648E-03 5396 0.188E-01 0.208E-01 RMM: 4 -0.368968088020E+03 0.22144E-03 -0.72255E-04 4622 0.598E-02 0.125E-01 RMM: 5 -0.368968016818E+03 0.71203E-04 -0.13229E-04 3866 0.300E-02 0.101E-01 RMM: 6 -0.368967960358E+03 0.56460E-04 -0.47791E-05 3182 0.204E-02 0.482E-02 RMM: 7 -0.368967991764E+03 -0.31407E-04 -0.50847E-05 3260 0.199E-02 0.912E-02 RMM: 8 -0.368967936208E+03 0.55556E-04 -0.30263E-05 2781 0.169E-02 0.263E-02 RMM: 9 -0.368967934074E+03 0.21336E-05 -0.11626E-05 2450 0.958E-03 5163 T= 6516. E= 0.69810092E+03 F= 0.64419668E+03 E0= 0.67486195E+03 EK= 0.53904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368317610104E+03 0.65033E+00 -0.16503E-01 7176 0.239E+01 0.211E-01 RMM: 2 -0.368330659908E+03 -0.13050E-01 -0.75062E-02 5141 0.665E-01 0.105E+00 RMM: 3 -0.368323464326E+03 0.71956E-02 -0.76371E-03 5431 0.186E-01 0.162E-01 RMM: 4 -0.368323369439E+03 0.94887E-04 -0.67086E-04 4610 0.588E-02 0.142E-01 RMM: 5 -0.368323251118E+03 0.11832E-03 -0.13326E-04 3856 0.305E-02 0.871E-02 RMM: 6 -0.368323216882E+03 0.34237E-04 -0.49416E-05 3200 0.207E-02 0.529E-02 RMM: 7 -0.368323240560E+03 -0.23679E-04 -0.39352E-05 2983 0.180E-02 0.889E-02 RMM: 8 -0.368323190057E+03 0.50503E-04 -0.30758E-05 2755 0.172E-02 0.247E-02 RMM: 9 -0.368323188586E+03 0.14711E-05 -0.96175E-06 2438 0.868E-03 5164 T= 6566. E= 0.69908207E+03 F= 0.64476012E+03 E0= 0.67542507E+03 EK= 0.54322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367836453287E+03 0.48674E+00 -0.16576E-01 7500 0.239E+01 0.182E-01 RMM: 2 -0.367846998876E+03 -0.10546E-01 -0.75585E-02 5149 0.661E-01 0.826E-01 RMM: 3 -0.367842514609E+03 0.44843E-02 -0.70626E-03 5529 0.171E-01 0.143E-01 RMM: 4 -0.367842445615E+03 0.68994E-04 -0.51544E-04 4611 0.533E-02 0.145E-01 RMM: 5 -0.367842313761E+03 0.13185E-03 -0.12118E-04 3846 0.301E-02 0.790E-02 RMM: 6 -0.367842294544E+03 0.19217E-04 -0.51604E-05 3236 0.205E-02 5165 T= 6593. E= 0.69969865E+03 F= 0.64515652E+03 E0= 0.67581912E+03 EK= 0.54542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367512898454E+03 0.32942E+00 -0.16413E-01 7704 0.239E+01 0.336E-01 RMM: 2 -0.367544805577E+03 -0.31907E-01 -0.86379E-02 5177 0.715E-01 0.199E+00 RMM: 3 -0.367519060058E+03 0.25746E-01 -0.13673E-02 5339 0.283E-01 0.298E-01 RMM: 4 -0.367518493050E+03 0.56701E-03 -0.13974E-03 4688 0.750E-02 0.125E-01 RMM: 5 -0.367518455277E+03 0.37773E-04 -0.21252E-04 3935 0.388E-02 0.136E-01 RMM: 6 -0.367518351837E+03 0.10344E-03 -0.10598E-04 3828 0.287E-02 0.756E-02 RMM: 7 -0.367518400373E+03 -0.48535E-04 -0.95640E-05 3815 0.267E-02 0.118E-01 RMM: 8 -0.367518312607E+03 0.87765E-04 -0.57994E-05 3350 0.211E-02 0.513E-02 RMM: 9 -0.367518299760E+03 0.12848E-04 -0.20981E-05 2562 0.138E-02 5166 T= 6585. E= 0.69986643E+03 F= 0.64539258E+03 E0= 0.67605286E+03 EK= 0.54474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367329216970E+03 0.18910E+00 -0.16456E-01 7752 0.239E+01 0.308E-01 RMM: 2 -0.367358358113E+03 -0.29141E-01 -0.88899E-02 5064 0.706E-01 0.184E+00 RMM: 3 -0.367335777643E+03 0.22580E-01 -0.12362E-02 5356 0.267E-01 0.324E-01 RMM: 4 -0.367335118325E+03 0.65932E-03 -0.15770E-03 4842 0.863E-02 0.138E-01 RMM: 5 -0.367335134604E+03 -0.16279E-04 -0.24798E-04 3941 0.410E-02 0.161E-01 RMM: 6 -0.367334959916E+03 0.17469E-03 -0.85465E-05 3633 0.269E-02 0.379E-02 RMM: 7 -0.367334986701E+03 -0.26786E-04 -0.40961E-05 3032 0.178E-02 0.832E-02 RMM: 8 -0.367334945526E+03 0.41175E-04 -0.32301E-05 2651 0.184E-02 0.302E-02 RMM: 9 -0.367334940704E+03 0.48219E-05 -0.88961E-06 2448 0.858E-03 5167 T= 6543. E= 0.69960863E+03 F= 0.64548430E+03 E0= 0.67614103E+03 EK= 0.54124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367262635479E+03 0.72310E-01 -0.16811E-01 7932 0.238E+01 0.223E-01 RMM: 2 -0.367279534801E+03 -0.16899E-01 -0.97737E-02 4992 0.727E-01 0.115E+00 RMM: 3 -0.367270598630E+03 0.89362E-02 -0.10417E-02 5449 0.218E-01 0.213E-01 RMM: 4 -0.367270320582E+03 0.27805E-03 -0.89027E-04 4684 0.653E-02 0.121E-01 RMM: 5 -0.367270246548E+03 0.74035E-04 -0.15552E-04 3910 0.325E-02 0.106E-01 RMM: 6 -0.367270193058E+03 0.53489E-04 -0.61859E-05 3386 0.221E-02 0.663E-02 RMM: 7 -0.367270230409E+03 -0.37350E-04 -0.91090E-05 3827 0.250E-02 0.110E-01 RMM: 8 -0.367270151999E+03 0.78410E-04 -0.44167E-05 3150 0.195E-02 0.331E-02 RMM: 9 -0.367270148445E+03 0.35542E-05 -0.12796E-05 2470 0.997E-03 5168 T= 6479. E= 0.69905327E+03 F= 0.64545341E+03 E0= 0.67610669E+03 EK= 0.53600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367291931308E+03 -0.21779E-01 -0.17065E-01 7824 0.236E+01 0.217E-01 RMM: 2 -0.367306858395E+03 -0.14927E-01 -0.98557E-02 5067 0.714E-01 0.104E+00 RMM: 3 -0.367299695042E+03 0.71634E-02 -0.99748E-03 5597 0.205E-01 0.163E-01 RMM: 4 -0.367299586759E+03 0.10828E-03 -0.76348E-04 4670 0.615E-02 0.166E-01 RMM: 5 -0.367299422542E+03 0.16422E-03 -0.15534E-04 3885 0.332E-02 0.903E-02 RMM: 6 -0.367299382430E+03 0.40112E-04 -0.60650E-05 3353 0.221E-02 0.569E-02 RMM: 7 -0.367299412881E+03 -0.30451E-04 -0.50246E-05 3199 0.200E-02 0.978E-02 RMM: 8 -0.367299349909E+03 0.62972E-04 -0.31485E-05 2756 0.172E-02 0.222E-02 RMM: 9 -0.367299350414E+03 -0.50596E-06 -0.10644E-05 2459 0.887E-03 5169 T= 6414. E= 0.69838742E+03 F= 0.64532428E+03 E0= 0.67597461E+03 EK= 0.53063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367393561875E+03 -0.94212E-01 -0.17524E-01 7944 0.235E+01 0.207E-01 RMM: 2 -0.367406933022E+03 -0.13371E-01 -0.94450E-02 5063 0.700E-01 0.917E-01 RMM: 3 -0.367401078633E+03 0.58544E-02 -0.87920E-03 5617 0.194E-01 0.176E-01 RMM: 4 -0.367400954728E+03 0.12390E-03 -0.78123E-04 4649 0.654E-02 0.161E-01 RMM: 5 -0.367400803275E+03 0.15145E-03 -0.16155E-04 3884 0.332E-02 0.949E-02 RMM: 6 -0.367400761247E+03 0.42028E-04 -0.52674E-05 3258 0.208E-02 0.601E-02 RMM: 7 -0.367400777195E+03 -0.15948E-04 -0.62095E-05 3496 0.210E-02 5170 T= 6368. E= 0.69779569E+03 F= 0.64511860E+03 E0= 0.67576777E+03 EK= 0.52677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367552806700E+03 -0.15205E+00 -0.17003E-01 7812 0.235E+01 0.232E-01 RMM: 2 -0.367566896300E+03 -0.14090E-01 -0.87327E-02 5305 0.675E-01 0.106E+00 RMM: 3 -0.367559345749E+03 0.75506E-02 -0.76582E-03 5634 0.186E-01 0.208E-01 RMM: 4 -0.367559158716E+03 0.18703E-03 -0.80550E-04 4629 0.649E-02 0.160E-01 RMM: 5 -0.367558995678E+03 0.16304E-03 -0.16073E-04 3882 0.317E-02 0.969E-02 RMM: 6 -0.367558960906E+03 0.34772E-04 -0.60068E-05 3379 0.219E-02 0.723E-02 RMM: 7 -0.367558982271E+03 -0.21364E-04 -0.82947E-05 3836 0.232E-02 0.104E-01 RMM: 8 -0.367558913802E+03 0.68469E-04 -0.37220E-05 3042 0.183E-02 0.271E-02 RMM: 9 -0.367558914638E+03 -0.83578E-06 -0.12055E-05 2471 0.973E-03 5171 T= 6353. E= 0.69740744E+03 F= 0.64485195E+03 E0= 0.67550149E+03 EK= 0.52555E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367762825501E+03 -0.20391E+00 -0.17241E-01 8172 0.234E+01 0.241E-01 RMM: 2 -0.367778478464E+03 -0.15653E-01 -0.96853E-02 5223 0.707E-01 0.111E+00 RMM: 3 -0.367770190780E+03 0.82877E-02 -0.88655E-03 5623 0.197E-01 0.187E-01 RMM: 4 -0.367770087602E+03 0.10318E-03 -0.89293E-04 4659 0.675E-02 0.190E-01 RMM: 5 -0.367769905732E+03 0.18187E-03 -0.19270E-04 3885 0.361E-02 0.118E-01 RMM: 6 -0.367769824746E+03 0.80986E-04 -0.78329E-05 3522 0.252E-02 0.463E-02 RMM: 7 -0.367769857051E+03 -0.32305E-04 -0.39180E-05 2972 0.176E-02 0.916E-02 RMM: 8 -0.367769802442E+03 0.54608E-04 -0.31806E-05 2652 0.176E-02 0.220E-02 RMM: 9 -0.367769801625E+03 0.81699E-06 -0.90586E-06 2444 0.832E-03 5172 T= 6374. E= 0.69726169E+03 F= 0.64452852E+03 E0= 0.67518149E+03 EK= 0.52733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368032923039E+03 -0.26312E+00 -0.17115E-01 8304 0.235E+01 0.222E-01 RMM: 2 -0.368046520730E+03 -0.13598E-01 -0.92647E-02 5344 0.683E-01 0.965E-01 RMM: 3 -0.368039972273E+03 0.65485E-02 -0.74574E-03 5727 0.176E-01 0.181E-01 RMM: 4 -0.368039863092E+03 0.10918E-03 -0.78618E-04 4641 0.650E-02 0.179E-01 RMM: 5 -0.368039674565E+03 0.18853E-03 -0.17653E-04 3883 0.339E-02 0.981E-02 RMM: 6 -0.368039629344E+03 0.45221E-04 -0.59626E-05 3381 0.220E-02 0.631E-02 RMM: 7 -0.368039659028E+03 -0.29683E-04 -0.73512E-05 3679 0.224E-02 0.102E-01 RMM: 8 -0.368039593353E+03 0.65675E-04 -0.36522E-05 3031 0.182E-02 0.282E-02 RMM: 9 -0.368039591692E+03 0.16606E-05 -0.10849E-05 2460 0.916E-03 5173 T= 6425. E= 0.69729766E+03 F= 0.64414237E+03 E0= 0.67480155E+03 EK= 0.53155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368370620872E+03 -0.33103E+00 -0.17790E-01 8460 0.235E+01 0.239E-01 RMM: 2 -0.368386343156E+03 -0.15722E-01 -0.97280E-02 5267 0.704E-01 0.111E+00 RMM: 3 -0.368378004542E+03 0.83386E-02 -0.85598E-03 5619 0.193E-01 0.194E-01 RMM: 4 -0.368377848488E+03 0.15605E-03 -0.85360E-04 4655 0.659E-02 0.173E-01 RMM: 5 -0.368377700564E+03 0.14792E-03 -0.18472E-04 3883 0.354E-02 0.118E-01 RMM: 6 -0.368377623662E+03 0.76902E-04 -0.74295E-05 3498 0.243E-02 0.559E-02 RMM: 7 -0.368377663837E+03 -0.40176E-04 -0.60308E-05 3415 0.208E-02 0.103E-01 RMM: 8 -0.368377593964E+03 0.69873E-04 -0.37536E-05 2989 0.188E-02 0.282E-02 RMM: 9 -0.368377591450E+03 0.25138E-05 -0.11569E-05 2458 0.945E-03 5174 T= 6490. E= 0.69737301E+03 F= 0.64368434E+03 E0= 0.67435293E+03 EK= 0.53689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368783895520E+03 -0.40630E+00 -0.18153E-01 8472 0.236E+01 0.218E-01 RMM: 2 -0.368798702250E+03 -0.14807E-01 -0.96237E-02 5277 0.688E-01 0.102E+00 RMM: 3 -0.368791257144E+03 0.74451E-02 -0.76706E-03 5595 0.183E-01 0.170E-01 RMM: 4 -0.368791181663E+03 0.75481E-04 -0.79123E-04 4657 0.645E-02 0.170E-01 RMM: 5 -0.368791027954E+03 0.15371E-03 -0.17018E-04 3881 0.329E-02 0.108E-01 RMM: 6 -0.368790966154E+03 0.61800E-04 -0.66816E-05 3455 0.231E-02 0.578E-02 RMM: 7 -0.368791000406E+03 -0.34252E-04 -0.63138E-05 3486 0.214E-02 0.102E-01 RMM: 8 -0.368790935272E+03 0.65133E-04 -0.32259E-05 2930 0.176E-02 0.249E-02 RMM: 9 -0.368790934282E+03 0.99004E-06 -0.96321E-06 2456 0.843E-03 5175 T= 6546. E= 0.69730215E+03 F= 0.64314726E+03 E0= 0.67382763E+03 EK= 0.54155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369269205710E+03 -0.47827E+00 -0.17924E-01 8604 0.237E+01 0.202E-01 RMM: 2 -0.369281561162E+03 -0.12355E-01 -0.92834E-02 5308 0.666E-01 0.851E-01 RMM: 3 -0.369276286613E+03 0.52745E-02 -0.68607E-03 5605 0.171E-01 0.159E-01 RMM: 4 -0.369276249373E+03 0.37240E-04 -0.66581E-04 4655 0.587E-02 0.176E-01 RMM: 5 -0.369276081968E+03 0.16741E-03 -0.16476E-04 3875 0.333E-02 0.107E-01 RMM: 6 -0.369276024081E+03 0.57887E-04 -0.72417E-05 3494 0.238E-02 0.595E-02 RMM: 7 -0.369276059699E+03 -0.35618E-04 -0.58170E-05 3394 0.207E-02 0.102E-01 RMM: 8 -0.369275991376E+03 0.68323E-04 -0.32601E-05 2904 0.178E-02 0.234E-02 RMM: 9 -0.369275991141E+03 0.23518E-06 -0.10726E-05 2450 0.885E-03 5176 T= 6574. E= 0.69692018E+03 F= 0.64253451E+03 E0= 0.67322868E+03 EK= 0.54386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369812318208E+03 -0.53633E+00 -0.17734E-01 8340 0.238E+01 0.202E-01 RMM: 2 -0.369825003276E+03 -0.12685E-01 -0.92245E-02 5251 0.668E-01 0.872E-01 RMM: 3 -0.369819387333E+03 0.56159E-02 -0.70785E-03 5579 0.174E-01 0.156E-01 RMM: 4 -0.369819366171E+03 0.21161E-04 -0.69119E-04 4663 0.605E-02 0.178E-01 RMM: 5 -0.369819175252E+03 0.19092E-03 -0.16310E-04 3881 0.325E-02 0.938E-02 RMM: 6 -0.369819140700E+03 0.34552E-04 -0.64177E-05 3411 0.226E-02 0.657E-02 RMM: 7 -0.369819164177E+03 -0.23477E-04 -0.55240E-05 3327 0.203E-02 0.973E-02 RMM: 8 -0.369819103574E+03 0.60604E-04 -0.31316E-05 2878 0.175E-02 0.227E-02 RMM: 9 -0.369819103775E+03 -0.20160E-06 -0.94558E-06 2452 0.831E-03 5177 T= 6562. E= 0.69614691E+03 F= 0.64185930E+03 E0= 0.67256759E+03 EK= 0.54288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370397229806E+03 -0.57813E+00 -0.17810E-01 8160 0.237E+01 0.198E-01 RMM: 2 -0.370408361551E+03 -0.11132E-01 -0.92954E-02 5259 0.671E-01 0.727E-01 RMM: 3 -0.370404365180E+03 0.39964E-02 -0.71837E-03 5712 0.172E-01 0.148E-01 RMM: 4 -0.370404386723E+03 -0.21543E-04 -0.61722E-04 4666 0.573E-02 0.197E-01 RMM: 5 -0.370404162606E+03 0.22412E-03 -0.16203E-04 3881 0.328E-02 0.103E-01 RMM: 6 -0.370404117114E+03 0.45491E-04 -0.76253E-05 3506 0.243E-02 0.646E-02 RMM: 7 -0.370404143949E+03 -0.26835E-04 -0.52320E-05 3259 0.200E-02 0.987E-02 RMM: 8 -0.370404080894E+03 0.63055E-04 -0.29650E-05 2783 0.172E-02 0.224E-02 RMM: 9 -0.370404081478E+03 -0.58361E-06 -0.10827E-05 2449 0.891E-03 5178 T= 6514. E= 0.69502344E+03 F= 0.64113727E+03 E0= 0.67185892E+03 EK= 0.53886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371013366133E+03 -0.60929E+00 -0.17752E-01 7800 0.237E+01 0.202E-01 RMM: 2 -0.371024278264E+03 -0.10912E-01 -0.86402E-02 5334 0.643E-01 0.759E-01 RMM: 3 -0.371019894783E+03 0.43835E-02 -0.62449E-03 5633 0.163E-01 0.159E-01 RMM: 4 -0.371019940178E+03 -0.45395E-04 -0.66932E-04 4652 0.602E-02 0.204E-01 RMM: 5 -0.371019683899E+03 0.25628E-03 -0.17417E-04 3889 0.336E-02 0.912E-02 RMM: 6 -0.371019655407E+03 0.28492E-04 -0.65106E-05 3430 0.227E-02 0.693E-02 RMM: 7 -0.371019676694E+03 -0.21287E-04 -0.55051E-05 3316 0.202E-02 0.961E-02 RMM: 8 -0.371019617088E+03 0.59605E-04 -0.31762E-05 2895 0.177E-02 0.240E-02 RMM: 9 -0.371019616498E+03 0.59071E-06 -0.95359E-06 2448 0.846E-03 5179 T= 6445. E= 0.69369969E+03 F= 0.64037922E+03 E0= 0.67111173E+03 EK= 0.53320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371652944186E+03 -0.63333E+00 -0.17585E-01 7704 0.235E+01 0.210E-01 RMM: 2 -0.371663663346E+03 -0.10719E-01 -0.84666E-02 5236 0.640E-01 0.775E-01 RMM: 3 -0.371659270674E+03 0.43927E-02 -0.66802E-03 5605 0.169E-01 0.152E-01 RMM: 4 -0.371659368642E+03 -0.97968E-04 -0.68410E-04 4652 0.607E-02 0.221E-01 RMM: 5 -0.371659078958E+03 0.28968E-03 -0.18760E-04 3886 0.347E-02 0.104E-01 RMM: 6 -0.371659036923E+03 0.42035E-04 -0.88941E-05 3605 0.259E-02 0.714E-02 RMM: 7 -0.371659067840E+03 -0.30917E-04 -0.56843E-05 3358 0.208E-02 0.105E-01 RMM: 8 -0.371658998301E+03 0.69538E-04 -0.30044E-05 2831 0.171E-02 0.272E-02 RMM: 9 -0.371658996692E+03 0.16094E-05 -0.10685E-05 2452 0.904E-03 5180 T= 6381. E= 0.69237549E+03 F= 0.63959154E+03 E0= 0.67033117E+03 EK= 0.52784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372303911641E+03 -0.64491E+00 -0.17268E-01 7692 0.235E+01 0.214E-01 RMM: 2 -0.372315732801E+03 -0.11821E-01 -0.83025E-02 5261 0.633E-01 0.887E-01 RMM: 3 -0.372310046403E+03 0.56864E-02 -0.65835E-03 5522 0.168E-01 0.154E-01 RMM: 4 -0.372310126243E+03 -0.79841E-04 -0.74120E-04 4663 0.632E-02 0.213E-01 RMM: 5 -0.372309858524E+03 0.26772E-03 -0.20030E-04 3883 0.361E-02 0.103E-01 RMM: 6 -0.372309818565E+03 0.39960E-04 -0.81109E-05 3575 0.249E-02 0.727E-02 RMM: 7 -0.372309840496E+03 -0.21931E-04 -0.59451E-05 3393 0.214E-02 0.989E-02 RMM: 8 -0.372309778190E+03 0.62306E-04 -0.31886E-05 2950 0.178E-02 0.237E-02 RMM: 9 -0.372309778486E+03 -0.29676E-06 -0.10650E-05 2447 0.905E-03 5181 T= 6340. E= 0.69123149E+03 F= 0.63878658E+03 E0= 0.66952841E+03 EK= 0.52445E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372939984472E+03 -0.63021E+00 -0.16672E-01 7740 0.235E+01 0.204E-01 RMM: 2 -0.372950310070E+03 -0.10326E-01 -0.80334E-02 5249 0.630E-01 0.772E-01 RMM: 3 -0.372946032542E+03 0.42775E-02 -0.66151E-03 5651 0.164E-01 0.149E-01 RMM: 4 -0.372946060732E+03 -0.28190E-04 -0.66313E-04 4647 0.606E-02 0.200E-01 RMM: 5 -0.372945801864E+03 0.25887E-03 -0.20404E-04 3880 0.367E-02 0.860E-02 RMM: 6 -0.372945815392E+03 -0.13528E-04 -0.99621E-05 3711 0.267E-02 5182 T= 6333. E= 0.69037753E+03 F= 0.63799066E+03 E0= 0.66872963E+03 EK= 0.52387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373523130740E+03 -0.57733E+00 -0.17045E-01 8256 0.235E+01 0.340E-01 RMM: 2 -0.373553414340E+03 -0.30284E-01 -0.90203E-02 5301 0.689E-01 0.194E+00 RMM: 3 -0.373529150100E+03 0.24264E-01 -0.12290E-02 5352 0.265E-01 0.294E-01 RMM: 4 -0.373528691064E+03 0.45904E-03 -0.14255E-03 4665 0.774E-02 0.160E-01 RMM: 5 -0.373528655727E+03 0.35337E-04 -0.35293E-04 4248 0.490E-02 0.178E-01 RMM: 6 -0.373528488216E+03 0.16751E-03 -0.20393E-04 3883 0.387E-02 0.899E-02 RMM: 7 -0.373528582895E+03 -0.94679E-04 -0.14125E-04 3888 0.319E-02 0.152E-01 RMM: 8 -0.373528439919E+03 0.14298E-03 -0.73749E-05 3529 0.253E-02 0.492E-02 RMM: 9 -0.373528430237E+03 0.96813E-05 -0.19394E-05 2568 0.128E-02 5183 T= 6357. E= 0.68983026E+03 F= 0.63724278E+03 E0= 0.66797235E+03 EK= 0.52587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374011368026E+03 -0.48293E+00 -0.17494E-01 8628 0.236E+01 0.326E-01 RMM: 2 -0.374045107198E+03 -0.33739E-01 -0.92513E-02 5227 0.700E-01 0.206E+00 RMM: 3 -0.374017944681E+03 0.27163E-01 -0.12728E-02 5360 0.269E-01 0.309E-01 RMM: 4 -0.374017370777E+03 0.57390E-03 -0.16578E-03 4704 0.861E-02 0.145E-01 RMM: 5 -0.374017357372E+03 0.13405E-04 -0.30977E-04 4134 0.469E-02 0.162E-01 RMM: 6 -0.374017191087E+03 0.16629E-03 -0.11961E-04 3865 0.298E-02 0.531E-02 RMM: 7 -0.374017235395E+03 -0.44308E-04 -0.70604E-05 3496 0.223E-02 0.104E-01 RMM: 8 -0.374017168904E+03 0.66491E-04 -0.38624E-05 3068 0.198E-02 0.288E-02 RMM: 9 -0.374017166926E+03 0.19786E-05 -0.99302E-06 2456 0.883E-03 5184 T= 6399. E= 0.68952272E+03 F= 0.63658375E+03 E0= 0.66729840E+03 EK= 0.52939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374373817846E+03 -0.35665E+00 -0.17494E-01 8712 0.237E+01 0.244E-01 RMM: 2 -0.374389795399E+03 -0.15978E-01 -0.90446E-02 5330 0.673E-01 0.117E+00 RMM: 3 -0.374380558808E+03 0.92366E-02 -0.79219E-03 5436 0.195E-01 0.221E-01 RMM: 4 -0.374380360162E+03 0.19865E-03 -0.91715E-04 4646 0.657E-02 0.160E-01 RMM: 5 -0.374380201753E+03 0.15841E-03 -0.26835E-04 3912 0.440E-02 0.119E-01 RMM: 6 -0.374380182371E+03 0.19382E-04 -0.14080E-04 3880 0.320E-02 5185 T= 6442. E= 0.68933898E+03 F= 0.63604567E+03 E0= 0.66673970E+03 EK= 0.53293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374599750641E+03 -0.21955E+00 -0.17495E-01 8568 0.237E+01 0.433E-01 RMM: 2 -0.374639071891E+03 -0.39321E-01 -0.10612E-01 5279 0.758E-01 0.226E+00 RMM: 3 -0.374606359139E+03 0.32713E-01 -0.18907E-02 5328 0.337E-01 0.374E-01 RMM: 4 -0.374605474036E+03 0.88510E-03 -0.20802E-03 4783 0.931E-02 0.163E-01 RMM: 5 -0.374605520505E+03 -0.46470E-04 -0.47109E-04 4489 0.548E-02 0.217E-01 RMM: 6 -0.374605241201E+03 0.27930E-03 -0.30007E-04 3917 0.470E-02 0.874E-02 RMM: 7 -0.374605375126E+03 -0.13392E-03 -0.16043E-04 3881 0.343E-02 0.171E-01 RMM: 8 -0.374605208513E+03 0.16661E-03 -0.80464E-05 3638 0.262E-02 0.657E-02 RMM: 9 -0.374605185902E+03 0.22611E-04 -0.23190E-05 2670 0.140E-02 0.353E-02 RMM: 10 -0.374605186049E+03 -0.14718E-06 -0.16856E-05 2489 0.121E-02 5186 T= 6469. E= 0.68915881E+03 F= 0.63564095E+03 E0= 0.66630964E+03 EK= 0.53518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374697123023E+03 -0.91937E-01 -0.17041E-01 8376 0.237E+01 0.375E-01 RMM: 2 -0.374730108085E+03 -0.32985E-01 -0.10297E-01 5215 0.727E-01 0.200E+00 RMM: 3 -0.374704315321E+03 0.25793E-01 -0.15296E-02 5347 0.299E-01 0.407E-01 RMM: 4 -0.374703242727E+03 0.10726E-02 -0.20575E-03 4827 0.967E-02 0.155E-01 RMM: 5 -0.374703303698E+03 -0.60971E-04 -0.41170E-04 4424 0.525E-02 0.195E-01 RMM: 6 -0.374703055090E+03 0.24861E-03 -0.15074E-04 3880 0.326E-02 0.574E-02 RMM: 7 -0.374703103186E+03 -0.48097E-04 -0.68478E-05 3466 0.219E-02 0.108E-01 RMM: 8 -0.374703040747E+03 0.62440E-04 -0.39542E-05 3063 0.194E-02 0.475E-02 RMM: 9 -0.374703027670E+03 0.13077E-04 -0.13076E-05 2482 0.108E-02 5187 T= 6473. E= 0.68890588E+03 F= 0.63535870E+03 E0= 0.66599706E+03 EK= 0.53547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374699630211E+03 0.34105E-02 -0.16828E-01 8280 0.235E+01 0.263E-01 RMM: 2 -0.374713745042E+03 -0.14115E-01 -0.95954E-02 5263 0.670E-01 0.100E+00 RMM: 3 -0.374706474889E+03 0.72702E-02 -0.79719E-03 5583 0.190E-01 0.192E-01 RMM: 4 -0.374706630593E+03 -0.15570E-03 -0.10513E-03 4642 0.752E-02 0.277E-01 RMM: 5 -0.374706214201E+03 0.41639E-03 -0.36114E-04 4169 0.493E-02 0.139E-01 RMM: 6 -0.374706132550E+03 0.81651E-04 -0.15734E-04 3881 0.334E-02 0.897E-02 RMM: 7 -0.374706187043E+03 -0.54493E-04 -0.89972E-05 3726 0.261E-02 0.132E-01 RMM: 8 -0.374706075093E+03 0.11195E-03 -0.44671E-05 3199 0.203E-02 0.310E-02 RMM: 9 -0.374706074431E+03 0.66151E-06 -0.13168E-05 2482 0.101E-02 5188 T= 6456. E= 0.68857087E+03 F= 0.63516640E+03 E0= 0.66577245E+03 EK= 0.53404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374653180792E+03 0.52894E-01 -0.17140E-01 8124 0.234E+01 0.269E-01 RMM: 2 -0.374672009701E+03 -0.18829E-01 -0.11467E-01 4985 0.756E-01 0.122E+00 RMM: 3 -0.374661891830E+03 0.10118E-01 -0.11413E-02 5593 0.224E-01 0.214E-01 RMM: 4 -0.374661792631E+03 0.99199E-04 -0.12200E-03 4706 0.796E-02 0.221E-01 RMM: 5 -0.374661619996E+03 0.17263E-03 -0.32693E-04 4156 0.465E-02 0.168E-01 RMM: 6 -0.374661446696E+03 0.17330E-03 -0.13827E-04 3870 0.324E-02 0.582E-02 RMM: 7 -0.374661507753E+03 -0.61057E-04 -0.77597E-05 3574 0.235E-02 0.116E-01 RMM: 8 -0.374661420357E+03 0.87396E-04 -0.40532E-05 3125 0.202E-02 0.333E-02 RMM: 9 -0.374661415470E+03 0.48869E-05 -0.10318E-05 2467 0.917E-03 5189 T= 6429. E= 0.68820359E+03 F= 0.63501687E+03 E0= 0.66559007E+03 EK= 0.53187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374612413732E+03 0.49007E-01 -0.16757E-01 8124 0.232E+01 0.257E-01 RMM: 2 -0.374627773073E+03 -0.15359E-01 -0.10500E-01 5015 0.719E-01 0.101E+00 RMM: 3 -0.374620379869E+03 0.73932E-02 -0.99403E-03 5567 0.207E-01 0.186E-01 RMM: 4 -0.374620577870E+03 -0.19800E-03 -0.11659E-03 4716 0.806E-02 0.283E-01 RMM: 5 -0.374620145420E+03 0.43245E-03 -0.34233E-04 4164 0.476E-02 0.145E-01 RMM: 6 -0.374620039852E+03 0.10557E-03 -0.13207E-04 3865 0.307E-02 0.718E-02 RMM: 7 -0.374620085739E+03 -0.45887E-04 -0.73641E-05 3548 0.235E-02 0.115E-01 RMM: 8 -0.374620000647E+03 0.85092E-04 -0.38571E-05 3101 0.195E-02 0.277E-02 RMM: 9 -0.374619999624E+03 0.10235E-05 -0.10526E-05 2466 0.906E-03 5190 T= 6409. E= 0.68787911E+03 F= 0.63485917E+03 E0= 0.66540155E+03 EK= 0.53020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374620956699E+03 -0.95605E-03 -0.15986E-01 7764 0.231E+01 0.262E-01 RMM: 2 -0.374636111474E+03 -0.15155E-01 -0.10097E-01 4960 0.712E-01 0.105E+00 RMM: 3 -0.374628571244E+03 0.75402E-02 -0.10132E-02 5550 0.211E-01 0.207E-01 RMM: 4 -0.374628586158E+03 -0.14913E-04 -0.11465E-03 4694 0.782E-02 0.243E-01 RMM: 5 -0.374628342479E+03 0.24368E-03 -0.32637E-04 4142 0.470E-02 0.167E-01 RMM: 6 -0.374628171493E+03 0.17099E-03 -0.13262E-04 3862 0.316E-02 0.548E-02 RMM: 7 -0.374628235269E+03 -0.63776E-04 -0.73775E-05 3522 0.230E-02 0.120E-01 RMM: 8 -0.374628146587E+03 0.88683E-04 -0.39977E-05 3137 0.200E-02 0.277E-02 RMM: 9 -0.374628144365E+03 0.22220E-05 -0.99185E-06 2458 0.896E-03 5191 T= 6407. E= 0.68765310E+03 F= 0.63464711E+03 E0= 0.66516231E+03 EK= 0.53006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374712547709E+03 -0.84401E-01 -0.15456E-01 7884 0.230E+01 0.235E-01 RMM: 2 -0.374723071306E+03 -0.10524E-01 -0.83993E-02 5079 0.646E-01 0.768E-01 RMM: 3 -0.374718855829E+03 0.42155E-02 -0.74452E-03 5605 0.176E-01 0.174E-01 RMM: 4 -0.374719071276E+03 -0.21545E-03 -0.93878E-04 4637 0.739E-02 0.277E-01 RMM: 5 -0.374718609587E+03 0.46169E-03 -0.34832E-04 4180 0.493E-02 0.109E-01 RMM: 6 -0.374718576597E+03 0.32990E-04 -0.10523E-04 3728 0.276E-02 0.867E-02 RMM: 7 -0.374718581813E+03 -0.52165E-05 -0.55710E-05 3372 0.216E-02 5192 T= 6429. E= 0.68752950E+03 F= 0.63434816E+03 E0= 0.66484069E+03 EK= 0.53181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374897829058E+03 -0.17925E+00 -0.15563E-01 7632 0.231E+01 0.248E-01 RMM: 2 -0.374908169249E+03 -0.10340E-01 -0.84162E-02 5018 0.661E-01 0.761E-01 RMM: 3 -0.374904198520E+03 0.39707E-02 -0.81304E-03 5565 0.183E-01 0.201E-01 RMM: 4 -0.374904368830E+03 -0.17031E-03 -0.99510E-04 4660 0.765E-02 0.284E-01 RMM: 5 -0.374903909611E+03 0.45922E-03 -0.39716E-04 4389 0.524E-02 0.134E-01 RMM: 6 -0.374903841792E+03 0.67820E-04 -0.13718E-04 3866 0.306E-02 0.917E-02 RMM: 7 -0.374903845725E+03 -0.39331E-05 -0.74830E-05 3617 0.252E-02 5193 T= 6467. E= 0.68744836E+03 F= 0.63394997E+03 E0= 0.66442555E+03 EK= 0.53498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375165991518E+03 -0.26215E+00 -0.15380E-01 7716 0.231E+01 0.231E-01 RMM: 2 -0.375174280897E+03 -0.82894E-02 -0.67670E-02 5123 0.604E-01 0.699E-01 RMM: 3 -0.375170944517E+03 0.33364E-02 -0.61410E-03 5423 0.166E-01 0.185E-01 RMM: 4 -0.375171087686E+03 -0.14317E-03 -0.78991E-04 4626 0.679E-02 0.253E-01 RMM: 5 -0.375170724194E+03 0.36349E-03 -0.36416E-04 4306 0.511E-02 0.132E-01 RMM: 6 -0.375170659926E+03 0.64267E-04 -0.16869E-04 3872 0.344E-02 0.907E-02 RMM: 7 -0.375170656382E+03 0.35444E-05 -0.62692E-05 3481 0.241E-02 5194 T= 6508. E= 0.68730101E+03 F= 0.63346582E+03 E0= 0.66392882E+03 EK= 0.53835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375479584094E+03 -0.30892E+00 -0.15531E-01 7764 0.233E+01 0.244E-01 RMM: 2 -0.375489355819E+03 -0.97717E-02 -0.67760E-02 5102 0.622E-01 0.859E-01 RMM: 3 -0.375484551464E+03 0.48044E-02 -0.68074E-03 5427 0.176E-01 0.205E-01 RMM: 4 -0.375484527647E+03 0.23817E-04 -0.83803E-04 4624 0.688E-02 0.217E-01 RMM: 5 -0.375484308693E+03 0.21895E-03 -0.40310E-04 4536 0.546E-02 0.151E-01 RMM: 6 -0.375484206229E+03 0.10246E-03 -0.18031E-04 3878 0.349E-02 0.894E-02 RMM: 7 -0.375484221104E+03 -0.14875E-04 -0.76386E-05 3609 0.263E-02 5195 T= 6532. E= 0.68697004E+03 F= 0.63293024E+03 E0= 0.66338449E+03 EK= 0.54040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375790802698E+03 -0.30660E+00 -0.15406E-01 7620 0.234E+01 0.242E-01 RMM: 2 -0.375799905228E+03 -0.91025E-02 -0.65941E-02 5135 0.615E-01 0.815E-01 RMM: 3 -0.375795554693E+03 0.43505E-02 -0.64561E-03 5454 0.170E-01 0.189E-01 RMM: 4 -0.375795608553E+03 -0.53860E-04 -0.81388E-04 4628 0.697E-02 0.236E-01 RMM: 5 -0.375795307844E+03 0.30071E-03 -0.43861E-04 4540 0.569E-02 0.142E-01 RMM: 6 -0.375795246382E+03 0.61462E-04 -0.20335E-04 3884 0.371E-02 0.108E-01 RMM: 7 -0.375795238764E+03 0.76180E-05 -0.85936E-05 3702 0.282E-02 5196 T= 6527. E= 0.68638425E+03 F= 0.63239206E+03 E0= 0.66284082E+03 EK= 0.53992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376043106887E+03 -0.24786E+00 -0.15337E-01 7656 0.234E+01 0.256E-01 RMM: 2 -0.376052912250E+03 -0.98054E-02 -0.63022E-02 5155 0.609E-01 0.913E-01 RMM: 3 -0.376047535971E+03 0.53763E-02 -0.65522E-03 5411 0.177E-01 0.223E-01 RMM: 4 -0.376047454671E+03 0.81300E-04 -0.86625E-04 4624 0.702E-02 0.212E-01 RMM: 5 -0.376047272204E+03 0.18247E-03 -0.46771E-04 4593 0.592E-02 0.170E-01 RMM: 6 -0.376047134032E+03 0.13817E-03 -0.22462E-04 3887 0.389E-02 0.938E-02 RMM: 7 -0.376047151141E+03 -0.17109E-04 -0.92722E-05 3725 0.291E-02 5197 T= 6486. E= 0.68556438E+03 F= 0.63190725E+03 E0= 0.66235375E+03 EK= 0.53657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376183078844E+03 -0.13594E+00 -0.15440E-01 7872 0.234E+01 0.253E-01 RMM: 2 -0.376192627109E+03 -0.95483E-02 -0.62814E-02 5106 0.609E-01 0.893E-01 RMM: 3 -0.376187439526E+03 0.51876E-02 -0.65351E-03 5419 0.176E-01 0.198E-01 RMM: 4 -0.376187463338E+03 -0.23812E-04 -0.86908E-04 4622 0.715E-02 0.233E-01 RMM: 5 -0.376187193063E+03 0.27028E-03 -0.48174E-04 4575 0.599E-02 0.156E-01 RMM: 6 -0.376187101500E+03 0.91563E-04 -0.22014E-04 3885 0.385E-02 0.105E-01 RMM: 7 -0.376187096897E+03 0.46030E-05 -0.90236E-05 3752 0.292E-02 5198 T= 6419. E= 0.68463301E+03 F= 0.63152819E+03 E0= 0.66197544E+03 EK= 0.53105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376168586343E+03 0.18515E-01 -0.15037E-01 7632 0.234E+01 0.255E-01 RMM: 2 -0.376177163981E+03 -0.85776E-02 -0.56983E-02 5193 0.573E-01 0.857E-01 RMM: 3 -0.376172406802E+03 0.47572E-02 -0.57595E-03 5412 0.166E-01 0.215E-01 RMM: 4 -0.376172426777E+03 -0.19975E-04 -0.86504E-04 4629 0.712E-02 0.242E-01 RMM: 5 -0.376172143603E+03 0.28317E-03 -0.48538E-04 4599 0.601E-02 0.165E-01 RMM: 6 -0.376172018138E+03 0.12546E-03 -0.23670E-04 3902 0.397E-02 0.965E-02 RMM: 7 -0.376172009040E+03 0.90977E-05 -0.92383E-05 3708 0.297E-02 5199 T= 6345. E= 0.68378396E+03 F= 0.63129775E+03 E0= 0.66175058E+03 EK= 0.52486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375968110541E+03 0.20391E+00 -0.15051E-01 7716 0.233E+01 0.250E-01 RMM: 2 -0.375975807970E+03 -0.76974E-02 -0.54643E-02 5185 0.555E-01 0.790E-01 RMM: 3 -0.375971661233E+03 0.41467E-02 -0.50677E-03 5449 0.153E-01 0.192E-01 RMM: 4 -0.375971806859E+03 -0.14563E-03 -0.91577E-04 4622 0.758E-02 0.269E-01 RMM: 5 -0.375971395286E+03 0.41157E-03 -0.47268E-04 4526 0.584E-02 0.141E-01 RMM: 6 -0.375971339276E+03 0.56009E-04 -0.19793E-04 3880 0.367E-02 0.110E-01 RMM: 7 -0.375971317438E+03 0.21838E-04 -0.77722E-05 3676 0.275E-02 0.103E-01 RMM: 8 -0.375971251793E+03 0.65645E-04 -0.24256E-05 2788 0.153E-02 0.280E-02 RMM: 9 -0.375971254641E+03 -0.28478E-05 -0.13432E-05 2471 0.102E-02 5200 T= 6283. E= 0.68322450E+03 F= 0.63124689E+03 E0= 0.66171097E+03 EK= 0.51978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375562890565E+03 0.40836E+00 -0.14698E-01 7584 0.233E+01 0.214E-01 RMM: 2 -0.375569451543E+03 -0.65610E-02 -0.53293E-02 5145 0.532E-01 0.644E-01 RMM: 3 -0.375566550591E+03 0.29010E-02 -0.47032E-03 5422 0.146E-01 0.163E-01 RMM: 4 -0.375566761403E+03 -0.21081E-03 -0.70615E-04 4620 0.657E-02 0.260E-01 RMM: 5 -0.375566342160E+03 0.41924E-03 -0.34712E-04 4228 0.509E-02 0.106E-01 RMM: 6 -0.375566320646E+03 0.21514E-04 -0.15394E-04 3884 0.330E-02 0.937E-02 RMM: 7 -0.375566311885E+03 0.87606E-05 -0.50207E-05 3299 0.218E-02 5201 T= 6252. E= 0.68311919E+03 F= 0.63139494E+03 E0= 0.66187638E+03 EK= 0.51724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374947983884E+03 0.61834E+00 -0.14275E-01 7884 0.234E+01 0.278E-01 RMM: 2 -0.374953185528E+03 -0.52016E-02 -0.50848E-02 5270 0.527E-01 0.591E-01 RMM: 3 -0.374950954480E+03 0.22310E-02 -0.43663E-03 5465 0.141E-01 0.211E-01 RMM: 4 -0.374951481066E+03 -0.52659E-03 -0.10270E-03 4613 0.807E-02 0.381E-01 RMM: 5 -0.374950553387E+03 0.92768E-03 -0.60364E-04 4563 0.652E-02 0.106E-01 RMM: 6 -0.374950625077E+03 -0.71690E-04 -0.20065E-04 3884 0.361E-02 0.155E-01 RMM: 7 -0.374950502475E+03 0.12260E-03 -0.93577E-05 3806 0.301E-02 0.851E-02 RMM: 8 -0.374950459133E+03 0.43342E-04 -0.23619E-05 2736 0.146E-02 0.319E-02 RMM: 9 -0.374950466882E+03 -0.77497E-05 -0.18175E-05 2516 0.120E-02 5202 T= 6261. E= 0.68354768E+03 F= 0.63174986E+03 E0= 0.66225470E+03 EK= 0.51798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374125057369E+03 0.82540E+00 -0.14096E-01 7452 0.234E+01 0.210E-01 RMM: 2 -0.374130535800E+03 -0.54784E-02 -0.49518E-02 5194 0.515E-01 0.557E-01 RMM: 3 -0.374128402882E+03 0.21329E-02 -0.41417E-03 5578 0.132E-01 0.151E-01 RMM: 4 -0.374128638518E+03 -0.23564E-03 -0.69087E-04 4618 0.668E-02 0.270E-01 RMM: 5 -0.374128182859E+03 0.45566E-03 -0.34067E-04 4147 0.498E-02 0.893E-02 RMM: 6 -0.374128200725E+03 -0.17866E-04 -0.13186E-04 3872 0.307E-02 5203 T= 6307. E= 0.68448802E+03 F= 0.63230861E+03 E0= 0.66284190E+03 EK= 0.52179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373110731148E+03 0.10175E+01 -0.14288E-01 7416 0.236E+01 0.343E-01 RMM: 2 -0.373128117115E+03 -0.17386E-01 -0.57318E-02 5253 0.572E-01 0.148E+00 RMM: 3 -0.373113828819E+03 0.14288E-01 -0.80451E-03 5353 0.214E-01 0.265E-01 RMM: 4 -0.373113886277E+03 -0.57458E-04 -0.14655E-03 4656 0.890E-02 0.305E-01 RMM: 5 -0.373113479876E+03 0.40640E-03 -0.67777E-04 4598 0.692E-02 0.214E-01 RMM: 6 -0.373113236935E+03 0.24294E-03 -0.25960E-04 3894 0.420E-02 0.999E-02 RMM: 7 -0.373113294842E+03 -0.57907E-04 -0.13795E-04 3880 0.330E-02 0.144E-01 RMM: 8 -0.373113157951E+03 0.13689E-03 -0.74548E-05 3543 0.255E-02 0.349E-02 RMM: 9 -0.373113162598E+03 -0.46476E-05 -0.18524E-05 2556 0.125E-02 5204 T= 6378. E= 0.68582276E+03 F= 0.63305884E+03 E0= 0.66362311E+03 EK= 0.52764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371928556047E+03 0.11846E+01 -0.14645E-01 7128 0.237E+01 0.308E-01 RMM: 2 -0.371950257685E+03 -0.21702E-01 -0.56578E-02 5195 0.568E-01 0.166E+00 RMM: 3 -0.371931816877E+03 0.18441E-01 -0.82507E-03 5351 0.219E-01 0.203E-01 RMM: 4 -0.371931983279E+03 -0.16640E-03 -0.13486E-03 4657 0.829E-02 0.279E-01 RMM: 5 -0.371931679057E+03 0.30422E-03 -0.40264E-04 4454 0.537E-02 0.194E-01 RMM: 6 -0.371931438880E+03 0.24018E-03 -0.17249E-04 3882 0.348E-02 0.528E-02 RMM: 7 -0.371931489079E+03 -0.50200E-04 -0.63868E-05 3442 0.225E-02 0.108E-01 RMM: 8 -0.371931414362E+03 0.74717E-04 -0.30681E-05 2955 0.179E-02 0.225E-02 RMM: 9 -0.371931414017E+03 0.34489E-06 -0.68816E-06 2452 0.728E-03 5205 T= 6453. E= 0.68736029E+03 F= 0.63397543E+03 E0= 0.66457161E+03 EK= 0.53385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370618073819E+03 0.13133E+01 -0.15011E-01 7176 0.238E+01 0.303E-01 RMM: 2 -0.370631204204E+03 -0.13130E-01 -0.60845E-02 5208 0.588E-01 0.119E+00 RMM: 3 -0.370621930578E+03 0.92736E-02 -0.70836E-03 5366 0.191E-01 0.249E-01 RMM: 4 -0.370622027287E+03 -0.96710E-04 -0.12883E-03 4662 0.842E-02 0.293E-01 RMM: 5 -0.370621597155E+03 0.43013E-03 -0.51050E-04 4548 0.600E-02 0.174E-01 RMM: 6 -0.370621441886E+03 0.15527E-03 -0.18679E-04 3880 0.355E-02 0.853E-02 RMM: 7 -0.370621477152E+03 -0.35266E-04 -0.83455E-05 3664 0.268E-02 0.120E-01 RMM: 8 -0.370621384781E+03 0.92371E-04 -0.37560E-05 3117 0.188E-02 0.272E-02 RMM: 9 -0.370621387854E+03 -0.30733E-05 -0.12945E-05 2491 0.101E-02 5206 T= 6511. E= 0.68888588E+03 F= 0.63502034E+03 E0= 0.66564606E+03 EK= 0.53866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369228758672E+03 0.13926E+01 -0.14925E-01 7500 0.238E+01 0.265E-01 RMM: 2 -0.369237683456E+03 -0.89248E-02 -0.58315E-02 5123 0.574E-01 0.874E-01 RMM: 3 -0.369232650090E+03 0.50334E-02 -0.59402E-03 5423 0.163E-01 0.181E-01 RMM: 4 -0.369233067209E+03 -0.41712E-03 -0.11349E-03 4638 0.831E-02 0.330E-01 RMM: 5 -0.369232426495E+03 0.64071E-03 -0.45792E-04 4468 0.565E-02 0.133E-01 RMM: 6 -0.369232356221E+03 0.70274E-04 -0.13602E-04 3871 0.303E-02 0.884E-02 RMM: 7 -0.369232369652E+03 -0.13431E-04 -0.69402E-05 3529 0.240E-02 5207 T= 6537. E= 0.69022317E+03 F= 0.63614424E+03 E0= 0.66679494E+03 EK= 0.54079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367813534280E+03 0.14188E+01 -0.15103E-01 7728 0.238E+01 0.285E-01 RMM: 2 -0.367820332539E+03 -0.67983E-02 -0.60098E-02 5116 0.586E-01 0.670E-01 RMM: 3 -0.367817561319E+03 0.27712E-02 -0.59647E-03 5467 0.159E-01 0.216E-01 RMM: 4 -0.367818139439E+03 -0.57812E-03 -0.12366E-03 4681 0.882E-02 0.394E-01 RMM: 5 -0.367817167114E+03 0.97233E-03 -0.60352E-04 4553 0.637E-02 0.108E-01 RMM: 6 -0.367817195325E+03 -0.28212E-04 -0.16453E-04 3877 0.329E-02 0.132E-01 RMM: 7 -0.367817128771E+03 0.66554E-04 -0.77036E-05 3653 0.266E-02 0.954E-02 RMM: 8 -0.367817071579E+03 0.57192E-04 -0.29963E-05 2981 0.166E-02 0.301E-02 RMM: 9 -0.367817078203E+03 -0.66240E-05 -0.15832E-05 2504 0.112E-02 5208 T= 6527. E= 0.69128689E+03 F= 0.63729404E+03 E0= 0.66796182E+03 EK= 0.53993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366421047955E+03 0.13960E+01 -0.14755E-01 7944 0.237E+01 0.260E-01 RMM: 2 -0.366430644312E+03 -0.95964E-02 -0.56024E-02 5070 0.577E-01 0.951E-01 RMM: 3 -0.366424734279E+03 0.59100E-02 -0.61156E-03 5382 0.172E-01 0.154E-01 RMM: 4 -0.366425208669E+03 -0.47439E-03 -0.10542E-03 4643 0.790E-02 0.322E-01 RMM: 5 -0.366424590353E+03 0.61832E-03 -0.38670E-04 4353 0.517E-02 0.124E-01 RMM: 6 -0.366424512728E+03 0.77625E-04 -0.11759E-04 3860 0.287E-02 0.664E-02 RMM: 7 -0.366424541369E+03 -0.28641E-04 -0.53817E-05 3315 0.209E-02 0.973E-02 RMM: 8 -0.366424480583E+03 0.60787E-04 -0.27954E-05 2894 0.174E-02 0.234E-02 RMM: 9 -0.366424478599E+03 0.19841E-05 -0.62286E-06 2445 0.713E-03 5209 T= 6489. E= 0.69209986E+03 F= 0.63842028E+03 E0= 0.66909709E+03 EK= 0.53680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365091897149E+03 0.13326E+01 -0.14494E-01 7812 0.235E+01 0.278E-01 RMM: 2 -0.365098370411E+03 -0.64733E-02 -0.50178E-02 5183 0.539E-01 0.733E-01 RMM: 3 -0.365095002171E+03 0.33682E-02 -0.47107E-03 5406 0.147E-01 0.214E-01 RMM: 4 -0.365095473295E+03 -0.47112E-03 -0.12730E-03 4650 0.893E-02 0.357E-01 RMM: 5 -0.365094711436E+03 0.76186E-03 -0.55501E-04 4547 0.616E-02 0.142E-01 RMM: 6 -0.365094616023E+03 0.95412E-04 -0.15424E-04 3886 0.326E-02 0.857E-02 RMM: 7 -0.365094646591E+03 -0.30567E-04 -0.79610E-05 3611 0.254E-02 0.116E-01 RMM: 8 -0.365094561814E+03 0.84776E-04 -0.39335E-05 3124 0.195E-02 0.355E-02 RMM: 9 -0.365094557279E+03 0.45348E-05 -0.11431E-05 2475 0.963E-03 5210 T= 6441. E= 0.69276812E+03 F= 0.63948267E+03 E0= 0.67016076E+03 EK= 0.53285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363852017719E+03 0.12425E+01 -0.14468E-01 7704 0.234E+01 0.282E-01 RMM: 2 -0.363862656779E+03 -0.10639E-01 -0.54503E-02 5048 0.570E-01 0.105E+00 RMM: 3 -0.363855404006E+03 0.72528E-02 -0.63579E-03 5357 0.179E-01 0.183E-01 RMM: 4 -0.363855932174E+03 -0.52817E-03 -0.12525E-03 4681 0.859E-02 0.350E-01 RMM: 5 -0.363855239048E+03 0.69313E-03 -0.45992E-04 4542 0.564E-02 0.154E-01 RMM: 6 -0.363855106333E+03 0.13271E-03 -0.13393E-04 3869 0.298E-02 0.674E-02 RMM: 7 -0.363855143332E+03 -0.36999E-04 -0.75859E-05 3559 0.244E-02 0.107E-01 RMM: 8 -0.363855069277E+03 0.74056E-04 -0.36708E-05 3097 0.192E-02 0.270E-02 RMM: 9 -0.363855068225E+03 0.10516E-05 -0.86739E-06 2463 0.834E-03 5211 T= 6403. E= 0.69342737E+03 F= 0.64045339E+03 E0= 0.67112519E+03 EK= 0.52974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362721477922E+03 0.11336E+01 -0.14562E-01 7848 0.233E+01 0.273E-01 RMM: 2 -0.362729393725E+03 -0.79158E-02 -0.52008E-02 5105 0.549E-01 0.851E-01 RMM: 3 -0.362724715040E+03 0.46787E-02 -0.53017E-03 5389 0.159E-01 0.203E-01 RMM: 4 -0.362725134237E+03 -0.41920E-03 -0.12339E-03 4657 0.871E-02 0.337E-01 RMM: 5 -0.362724526826E+03 0.60741E-03 -0.48020E-04 4479 0.577E-02 0.170E-01 RMM: 6 -0.362724358772E+03 0.16805E-03 -0.15779E-04 3888 0.331E-02 0.662E-02 RMM: 7 -0.362724407324E+03 -0.48552E-04 -0.75310E-05 3569 0.247E-02 0.114E-01 RMM: 8 -0.362724324492E+03 0.82831E-04 -0.35094E-05 3069 0.187E-02 0.320E-02 RMM: 9 -0.362724320327E+03 0.41657E-05 -0.98996E-06 2463 0.902E-03 5212 T= 6391. E= 0.69418478E+03 F= 0.64131440E+03 E0= 0.67197342E+03 EK= 0.52870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361712795228E+03 0.10115E+01 -0.14591E-01 7980 0.233E+01 0.283E-01 RMM: 2 -0.361722631210E+03 -0.98360E-02 -0.53033E-02 5122 0.555E-01 0.100E+00 RMM: 3 -0.361715992830E+03 0.66384E-02 -0.59589E-03 5364 0.172E-01 0.190E-01 RMM: 4 -0.361716520857E+03 -0.52803E-03 -0.12648E-03 4646 0.865E-02 0.353E-01 RMM: 5 -0.361715791909E+03 0.72895E-03 -0.50421E-04 4564 0.598E-02 0.148E-01 RMM: 6 -0.361715674096E+03 0.11781E-03 -0.12523E-04 3874 0.288E-02 0.729E-02 RMM: 7 -0.361715704979E+03 -0.30883E-04 -0.84862E-05 3675 0.257E-02 0.106E-01 RMM: 8 -0.361715633521E+03 0.71458E-04 -0.40456E-05 3153 0.199E-02 0.323E-02 RMM: 9 -0.361715629600E+03 0.39206E-05 -0.88935E-06 2467 0.858E-03 5213 T= 6410. E= 0.69507722E+03 F= 0.64205279E+03 E0= 0.67269335E+03 EK= 0.53024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360838234225E+03 0.87740E+00 -0.14427E-01 7620 0.233E+01 0.272E-01 RMM: 2 -0.360846629969E+03 -0.83957E-02 -0.55462E-02 5117 0.560E-01 0.866E-01 RMM: 3 -0.360841736388E+03 0.48936E-02 -0.55719E-03 5402 0.161E-01 0.197E-01 RMM: 4 -0.360842144178E+03 -0.40779E-03 -0.11937E-03 4651 0.847E-02 0.334E-01 RMM: 5 -0.360841542711E+03 0.60147E-03 -0.48686E-04 4493 0.589E-02 0.164E-01 RMM: 6 -0.360841395221E+03 0.14749E-03 -0.15400E-04 3875 0.325E-02 0.725E-02 RMM: 7 -0.360841443542E+03 -0.48321E-04 -0.80191E-05 3633 0.253E-02 0.118E-01 RMM: 8 -0.360841354187E+03 0.89355E-04 -0.39827E-05 3145 0.196E-02 0.297E-02 RMM: 9 -0.360841351619E+03 0.25676E-05 -0.89950E-06 2466 0.852E-03 5214 T= 6455. E= 0.69605538E+03 F= 0.64265660E+03 E0= 0.67327434E+03 EK= 0.53399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360114470605E+03 0.72688E+00 -0.14383E-01 7776 0.233E+01 0.275E-01 RMM: 2 -0.360123323732E+03 -0.88531E-02 -0.55229E-02 5133 0.561E-01 0.904E-01 RMM: 3 -0.360117944933E+03 0.53788E-02 -0.58476E-03 5378 0.167E-01 0.204E-01 RMM: 4 -0.360118325821E+03 -0.38089E-03 -0.12378E-03 4658 0.857E-02 0.331E-01 RMM: 5 -0.360117716172E+03 0.60965E-03 -0.52052E-04 4570 0.616E-02 0.155E-01 RMM: 6 -0.360117584774E+03 0.13140E-03 -0.12256E-04 3862 0.286E-02 0.704E-02 RMM: 7 -0.360117616176E+03 -0.31402E-04 -0.85267E-05 3668 0.259E-02 0.105E-01 RMM: 8 -0.360117546257E+03 0.69919E-04 -0.38813E-05 3135 0.196E-02 0.310E-02 RMM: 9 -0.360117543085E+03 0.31723E-05 -0.84205E-06 2462 0.819E-03 5215 T= 6513. E= 0.69699243E+03 F= 0.64310994E+03 E0= 0.67370102E+03 EK= 0.53882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359561441534E+03 0.55610E+00 -0.14810E-01 7788 0.233E+01 0.283E-01 RMM: 2 -0.359571115281E+03 -0.96737E-02 -0.57906E-02 5182 0.576E-01 0.962E-01 RMM: 3 -0.359565001139E+03 0.61141E-02 -0.59108E-03 5378 0.168E-01 0.195E-01 RMM: 4 -0.359565421814E+03 -0.42067E-03 -0.11962E-03 4637 0.834E-02 0.337E-01 RMM: 5 -0.359564783310E+03 0.63850E-03 -0.48565E-04 4528 0.593E-02 0.153E-01 RMM: 6 -0.359564666468E+03 0.11684E-03 -0.14806E-04 3875 0.316E-02 0.798E-02 RMM: 7 -0.359564710621E+03 -0.44154E-04 -0.81253E-05 3643 0.254E-02 0.120E-01 RMM: 8 -0.359564618176E+03 0.92446E-04 -0.41464E-05 3177 0.198E-02 0.297E-02 RMM: 9 -0.359564615966E+03 0.22096E-05 -0.91398E-06 2468 0.854E-03 5216 T= 6567. E= 0.69771786E+03 F= 0.64339217E+03 E0= 0.67395412E+03 EK= 0.54326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359202014079E+03 0.36260E+00 -0.15032E-01 7776 0.233E+01 0.270E-01 RMM: 2 -0.359209915509E+03 -0.79014E-02 -0.56376E-02 5188 0.563E-01 0.805E-01 RMM: 3 -0.359205619662E+03 0.42958E-02 -0.55321E-03 5394 0.159E-01 0.219E-01 RMM: 4 -0.359205916050E+03 -0.29639E-03 -0.11772E-03 4664 0.838E-02 0.323E-01 RMM: 5 -0.359205356097E+03 0.55995E-03 -0.53063E-04 4575 0.630E-02 0.162E-01 RMM: 6 -0.359205209079E+03 0.14702E-03 -0.12656E-04 3860 0.289E-02 0.678E-02 RMM: 7 -0.359205243760E+03 -0.34681E-04 -0.82320E-05 3649 0.255E-02 0.106E-01 RMM: 8 -0.359205172096E+03 0.71664E-04 -0.36506E-05 3096 0.190E-02 0.293E-02 RMM: 9 -0.359205169943E+03 0.21523E-05 -0.87129E-06 2467 0.824E-03 5217 T= 6599. E= 0.69807002E+03 F= 0.64348000E+03 E0= 0.67401090E+03 EK= 0.54590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359056691912E+03 0.14848E+00 -0.15172E-01 8112 0.233E+01 0.288E-01 RMM: 2 -0.359066898873E+03 -0.10207E-01 -0.56522E-02 5206 0.575E-01 0.102E+00 RMM: 3 -0.359060030820E+03 0.68681E-02 -0.58380E-03 5371 0.170E-01 0.188E-01 RMM: 4 -0.359060515560E+03 -0.48474E-03 -0.12182E-03 4628 0.839E-02 0.350E-01 RMM: 5 -0.359059815790E+03 0.69977E-03 -0.49923E-04 4563 0.604E-02 0.147E-01 RMM: 6 -0.359059715450E+03 0.10034E-03 -0.14505E-04 3876 0.311E-02 0.846E-02 RMM: 7 -0.359059748067E+03 -0.32617E-04 -0.80553E-05 3640 0.255E-02 0.116E-01 RMM: 8 -0.359059661242E+03 0.86825E-04 -0.39296E-05 3131 0.193E-02 0.283E-02 RMM: 9 -0.359059660222E+03 0.10200E-05 -0.92534E-06 2465 0.855E-03 5218 T= 6600. E= 0.69794962E+03 F= 0.64335199E+03 E0= 0.67385143E+03 EK= 0.54598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359133767664E+03 -0.74106E-01 -0.15608E-01 8052 0.232E+01 0.272E-01 RMM: 2 -0.359141490217E+03 -0.77226E-02 -0.56356E-02 5207 0.567E-01 0.805E-01 RMM: 3 -0.359137343907E+03 0.41463E-02 -0.54026E-03 5381 0.157E-01 0.227E-01 RMM: 4 -0.359137592819E+03 -0.24891E-03 -0.11774E-03 4640 0.841E-02 0.317E-01 RMM: 5 -0.359137057986E+03 0.53483E-03 -0.54831E-04 4575 0.640E-02 0.165E-01 RMM: 6 -0.359136907791E+03 0.15019E-03 -0.13862E-04 3871 0.301E-02 0.702E-02 RMM: 7 -0.359136941699E+03 -0.33908E-04 -0.78479E-05 3598 0.252E-02 0.109E-01 RMM: 8 -0.359136867794E+03 0.73906E-04 -0.34156E-05 3069 0.183E-02 0.275E-02 RMM: 9 -0.359136867353E+03 0.44076E-06 -0.90913E-06 2464 0.834E-03 5219 T= 6571. E= 0.69735423E+03 F= 0.64299817E+03 E0= 0.67346664E+03 EK= 0.54356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359429323823E+03 -0.29246E+00 -0.15887E-01 8088 0.231E+01 0.287E-01 RMM: 2 -0.359439058822E+03 -0.97350E-02 -0.57999E-02 5200 0.582E-01 0.987E-01 RMM: 3 -0.359432789648E+03 0.62692E-02 -0.59362E-03 5367 0.169E-01 0.185E-01 RMM: 4 -0.359433310227E+03 -0.52058E-03 -0.12368E-03 4653 0.857E-02 0.357E-01 RMM: 5 -0.359432569559E+03 0.74067E-03 -0.51843E-04 4559 0.610E-02 0.144E-01 RMM: 6 -0.359432481535E+03 0.88023E-04 -0.15113E-04 3880 0.314E-02 0.908E-02 RMM: 7 -0.359432497858E+03 -0.16322E-04 -0.81757E-05 3642 0.260E-02 5220 T= 6522. E= 0.69637447E+03 F= 0.64242169E+03 E0= 0.67286081E+03 EK= 0.53953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359926370470E+03 -0.49389E+00 -0.15732E-01 7968 0.231E+01 0.303E-01 RMM: 2 -0.359933817793E+03 -0.74473E-02 -0.57222E-02 5235 0.572E-01 0.808E-01 RMM: 3 -0.359929863689E+03 0.39541E-02 -0.57065E-03 5402 0.161E-01 0.256E-01 RMM: 4 -0.359930265667E+03 -0.40198E-03 -0.13408E-03 4651 0.905E-02 0.375E-01 RMM: 5 -0.359929438830E+03 0.82684E-03 -0.70671E-04 4599 0.720E-02 0.157E-01 RMM: 6 -0.359929341041E+03 0.97788E-04 -0.20340E-04 3900 0.364E-02 0.108E-01 RMM: 7 -0.359929360185E+03 -0.19144E-04 -0.11120E-04 3843 0.300E-02 5221 T= 6469. E= 0.69515773E+03 F= 0.64163884E+03 E0= 0.67205331E+03 EK= 0.53519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360592115199E+03 -0.66277E+00 -0.15489E-01 8148 0.230E+01 0.313E-01 RMM: 2 -0.360603085371E+03 -0.10970E-01 -0.62350E-02 5206 0.619E-01 0.109E+00 RMM: 3 -0.360595726043E+03 0.73593E-02 -0.72036E-03 5358 0.196E-01 0.238E-01 RMM: 4 -0.360595870698E+03 -0.14466E-03 -0.12612E-03 4653 0.841E-02 0.304E-01 RMM: 5 -0.360595525780E+03 0.34492E-03 -0.59796E-04 4602 0.659E-02 0.226E-01 RMM: 6 -0.360595220838E+03 0.30494E-03 -0.26859E-04 3903 0.427E-02 0.793E-02 RMM: 7 -0.360595302301E+03 -0.81462E-04 -0.11571E-04 3836 0.302E-02 0.142E-01 RMM: 8 -0.360595177198E+03 0.12510E-03 -0.50923E-05 3338 0.215E-02 0.450E-02 RMM: 9 -0.360595167202E+03 0.99957E-05 -0.13799E-05 2498 0.107E-02 5222 T= 6428. E= 0.69385832E+03 F= 0.64068132E+03 E0= 0.67107174E+03 EK= 0.53177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361387551214E+03 -0.79237E+00 -0.15257E-01 8136 0.230E+01 0.274E-01 RMM: 2 -0.361397002080E+03 -0.94509E-02 -0.51533E-02 5273 0.545E-01 0.100E+00 RMM: 3 -0.361390614931E+03 0.63871E-02 -0.52554E-03 5356 0.162E-01 0.187E-01 RMM: 4 -0.361391164333E+03 -0.54940E-03 -0.10971E-03 4619 0.801E-02 0.361E-01 RMM: 5 -0.361390350470E+03 0.81386E-03 -0.54332E-04 4590 0.642E-02 0.110E-01 RMM: 6 -0.361390336015E+03 0.14455E-04 -0.14391E-04 3876 0.303E-02 5223 T= 6407. E= 0.69259286E+03 F= 0.63958846E+03 E0= 0.66995920E+03 EK= 0.53004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362268209649E+03 -0.87786E+00 -0.15650E-01 8100 0.231E+01 0.399E-01 RMM: 2 -0.362293675219E+03 -0.25466E-01 -0.60552E-02 5286 0.617E-01 0.188E+00 RMM: 3 -0.362271058470E+03 0.22617E-01 -0.10755E-02 5328 0.260E-01 0.318E-01 RMM: 4 -0.362270778756E+03 0.27971E-03 -0.18366E-03 4773 0.989E-02 0.282E-01 RMM: 5 -0.362270667300E+03 0.11146E-03 -0.92190E-04 4604 0.826E-02 0.282E-01 RMM: 6 -0.362270208236E+03 0.45906E-03 -0.39041E-04 4266 0.525E-02 0.109E-01 RMM: 7 -0.362270286482E+03 -0.78246E-04 -0.18538E-04 3875 0.380E-02 0.164E-01 RMM: 8 -0.362270118833E+03 0.16765E-03 -0.94922E-05 3764 0.297E-02 0.513E-02 RMM: 9 -0.362270110444E+03 0.83887E-05 -0.19275E-05 2570 0.131E-02 5224 T= 6408. E= 0.69141833E+03 F= 0.63840503E+03 E0= 0.66875713E+03 EK= 0.53013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363188343717E+03 -0.91822E+00 -0.16245E-01 7620 0.231E+01 0.372E-01 RMM: 2 -0.363212320201E+03 -0.23976E-01 -0.56679E-02 5274 0.594E-01 0.181E+00 RMM: 3 -0.363191230797E+03 0.21089E-01 -0.10561E-02 5331 0.257E-01 0.350E-01 RMM: 4 -0.363190735035E+03 0.49576E-03 -0.17388E-03 4706 0.950E-02 0.241E-01 RMM: 5 -0.363190731043E+03 0.39928E-05 -0.58636E-04 4608 0.660E-02 0.264E-01 RMM: 6 -0.363190287856E+03 0.44319E-03 -0.23055E-04 3899 0.402E-02 0.668E-02 RMM: 7 -0.363190365125E+03 -0.77270E-04 -0.12461E-04 3836 0.301E-02 0.132E-01 RMM: 8 -0.363190256748E+03 0.10838E-03 -0.51657E-05 3324 0.222E-02 0.409E-02 RMM: 9 -0.363190247499E+03 0.92492E-05 -0.95424E-06 2485 0.891E-03 5225 T= 6425. E= 0.69032942E+03 F= 0.63717534E+03 E0= 0.66750966E+03 EK= 0.53154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364102877586E+03 -0.91262E+00 -0.16636E-01 7932 0.232E+01 0.354E-01 RMM: 2 -0.364122347999E+03 -0.19470E-01 -0.63636E-02 5169 0.631E-01 0.159E+00 RMM: 3 -0.364106483708E+03 0.15864E-01 -0.93572E-03 5337 0.234E-01 0.300E-01 RMM: 4 -0.364106230254E+03 0.25345E-03 -0.15938E-03 4757 0.922E-02 0.263E-01 RMM: 5 -0.364106186287E+03 0.43967E-04 -0.83000E-04 4608 0.791E-02 0.274E-01 RMM: 6 -0.364105736342E+03 0.44995E-03 -0.32933E-04 3941 0.483E-02 0.897E-02 RMM: 7 -0.364105798803E+03 -0.62462E-04 -0.16709E-04 3880 0.371E-02 0.142E-01 RMM: 8 -0.364105674287E+03 0.12452E-03 -0.72913E-05 3571 0.258E-02 0.457E-02 RMM: 9 -0.364105664716E+03 0.95707E-05 -0.13932E-05 2512 0.111E-02 5226 T= 6447. E= 0.68927864E+03 F= 0.63594451E+03 E0= 0.66626021E+03 EK= 0.53334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364967674509E+03 -0.86200E+00 -0.16479E-01 8100 0.233E+01 0.311E-01 RMM: 2 -0.364977687571E+03 -0.10013E-01 -0.50301E-02 5249 0.557E-01 0.107E+00 RMM: 3 -0.364970376528E+03 0.73110E-02 -0.60982E-03 5349 0.183E-01 0.241E-01 RMM: 4 -0.364970769862E+03 -0.39333E-03 -0.13859E-03 4655 0.913E-02 0.358E-01 RMM: 5 -0.364970075982E+03 0.69388E-03 -0.70196E-04 4607 0.726E-02 0.184E-01 RMM: 6 -0.364969915308E+03 0.16067E-03 -0.22259E-04 3880 0.387E-02 0.107E-01 RMM: 7 -0.364969926670E+03 -0.11362E-04 -0.12224E-04 3848 0.328E-02 5227 T= 6461. E= 0.68820659E+03 F= 0.63475884E+03 E0= 0.66505529E+03 EK= 0.53448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365736655581E+03 -0.76674E+00 -0.16877E-01 8112 0.234E+01 0.319E-01 RMM: 2 -0.365744554714E+03 -0.78991E-02 -0.61002E-02 5075 0.612E-01 0.814E-01 RMM: 3 -0.365740471966E+03 0.40827E-02 -0.66516E-03 5383 0.178E-01 0.256E-01 RMM: 4 -0.365740844993E+03 -0.37303E-03 -0.15821E-03 4823 0.996E-02 0.379E-01 RMM: 5 -0.365740008810E+03 0.83618E-03 -0.10236E-03 4609 0.884E-02 0.167E-01 RMM: 6 -0.365739955407E+03 0.53403E-04 -0.27239E-04 3899 0.425E-02 0.149E-01 RMM: 7 -0.365739883481E+03 0.71926E-04 -0.15253E-04 3853 0.380E-02 0.121E-01 RMM: 8 -0.365739793384E+03 0.90098E-04 -0.56333E-05 3363 0.223E-02 0.394E-02 RMM: 9 -0.365739799373E+03 -0.59893E-05 -0.17448E-05 2531 0.120E-02 5228 T= 6457. E= 0.68707696E+03 F= 0.63366131E+03 E0= 0.66393491E+03 EK= 0.53416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366372692115E+03 -0.63290E+00 -0.16516E-01 7740 0.235E+01 0.258E-01 RMM: 2 -0.366379620012E+03 -0.69279E-02 -0.51525E-02 5069 0.555E-01 0.755E-01 RMM: 3 -0.366375925745E+03 0.36943E-02 -0.52775E-03 5388 0.159E-01 0.190E-01 RMM: 4 -0.366376411126E+03 -0.48538E-03 -0.11352E-03 4666 0.856E-02 0.350E-01 RMM: 5 -0.366375690399E+03 0.72073E-03 -0.57573E-04 4594 0.661E-02 0.135E-01 RMM: 6 -0.366375625969E+03 0.64430E-04 -0.17502E-04 3883 0.344E-02 0.982E-02 RMM: 7 -0.366375619554E+03 0.64154E-05 -0.81919E-05 3712 0.274E-02 5229 T= 6433. E= 0.68590550E+03 F= 0.63269127E+03 E0= 0.66294063E+03 EK= 0.53214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366841450643E+03 -0.46582E+00 -0.16550E-01 7884 0.235E+01 0.348E-01 RMM: 2 -0.366848148673E+03 -0.66980E-02 -0.55534E-02 5119 0.591E-01 0.809E-01 RMM: 3 -0.366844286672E+03 0.38620E-02 -0.61729E-03 5386 0.175E-01 0.259E-01 RMM: 4 -0.366845345037E+03 -0.10584E-02 -0.18618E-03 4903 0.111E-01 0.506E-01 RMM: 5 -0.366843803775E+03 0.15413E-02 -0.10108E-03 4608 0.854E-02 0.165E-01 RMM: 6 -0.366843757690E+03 0.46085E-04 -0.32729E-04 3914 0.463E-02 0.153E-01 RMM: 7 -0.366843667604E+03 0.90086E-04 -0.14591E-04 3851 0.384E-02 0.110E-01 RMM: 8 -0.366843589141E+03 0.78463E-04 -0.39722E-05 3111 0.191E-02 0.362E-02 RMM: 9 -0.366843601640E+03 -0.12499E-04 -0.23240E-05 2632 0.139E-02 5230 T= 6393. E= 0.68476656E+03 F= 0.63188231E+03 E0= 0.66210507E+03 EK= 0.52884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367115599048E+03 -0.27201E+00 -0.16633E-01 7728 0.235E+01 0.273E-01 RMM: 2 -0.367123376144E+03 -0.77771E-02 -0.56004E-02 4963 0.585E-01 0.812E-01 RMM: 3 -0.367119124382E+03 0.42518E-02 -0.61957E-03 5408 0.170E-01 0.192E-01 RMM: 4 -0.367119616224E+03 -0.49184E-03 -0.12991E-03 4756 0.918E-02 0.354E-01 RMM: 5 -0.367118934454E+03 0.68177E-03 -0.62398E-04 4600 0.685E-02 0.169E-01 RMM: 6 -0.367118781654E+03 0.15280E-03 -0.19998E-04 3893 0.368E-02 0.825E-02 RMM: 7 -0.367118804759E+03 -0.23105E-04 -0.87142E-05 3784 0.283E-02 0.110E-01 RMM: 8 -0.367118725109E+03 0.79650E-04 -0.32659E-05 3023 0.179E-02 0.232E-02 RMM: 9 -0.367118728260E+03 -0.31512E-05 -0.87859E-06 2469 0.866E-03 5231 T= 6348. E= 0.68377515E+03 F= 0.63125956E+03 E0= 0.66145498E+03 EK= 0.52516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367185283005E+03 -0.66558E-01 -0.16798E-01 7524 0.235E+01 0.327E-01 RMM: 2 -0.367190757625E+03 -0.54746E-02 -0.52592E-02 5081 0.557E-01 0.668E-01 RMM: 3 -0.367188079495E+03 0.26781E-02 -0.55445E-03 5407 0.161E-01 0.256E-01 RMM: 4 -0.367189049738E+03 -0.97024E-03 -0.16853E-03 4853 0.106E-01 0.486E-01 RMM: 5 -0.367187567174E+03 0.14826E-02 -0.83820E-04 4604 0.781E-02 0.123E-01 RMM: 6 -0.367187577848E+03 -0.10674E-04 -0.21960E-04 3880 0.378E-02 0.138E-01 RMM: 7 -0.367187481506E+03 0.96342E-04 -0.10457E-04 3820 0.326E-02 0.830E-02 RMM: 8 -0.367187438784E+03 0.42722E-04 -0.25633E-05 2818 0.156E-02 0.326E-02 RMM: 9 -0.367187445177E+03 -0.63929E-05 -0.16671E-05 2515 0.118E-02 5232 T= 6312. E= 0.68305441E+03 F= 0.63083712E+03 E0= 0.66100572E+03 EK= 0.52217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367044995031E+03 0.14244E+00 -0.16614E-01 7284 0.235E+01 0.319E-01 RMM: 2 -0.367052891424E+03 -0.78964E-02 -0.55272E-02 5057 0.576E-01 0.873E-01 RMM: 3 -0.367048023341E+03 0.48681E-02 -0.60922E-03 5385 0.172E-01 0.234E-01 RMM: 4 -0.367048742410E+03 -0.71907E-03 -0.16647E-03 4833 0.103E-01 0.424E-01 RMM: 5 -0.367047712365E+03 0.10300E-02 -0.84460E-04 4610 0.795E-02 0.174E-01 RMM: 6 -0.367047555368E+03 0.15700E-03 -0.21206E-04 3896 0.378E-02 0.943E-02 RMM: 7 -0.367047558657E+03 -0.32891E-05 -0.11308E-04 3842 0.323E-02 5233 T= 6296. E= 0.68270145E+03 F= 0.63061818E+03 E0= 0.66076091E+03 EK= 0.52083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366705805179E+03 0.34175E+00 -0.16347E-01 7608 0.235E+01 0.358E-01 RMM: 2 -0.366711038997E+03 -0.52338E-02 -0.53471E-02 5107 0.558E-01 0.665E-01 RMM: 3 -0.366708579125E+03 0.24599E-02 -0.56052E-03 5386 0.164E-01 0.319E-01 RMM: 4 -0.366709618556E+03 -0.10394E-02 -0.20722E-03 4899 0.117E-01 0.531E-01 RMM: 5 -0.366707814342E+03 0.18042E-02 -0.11076E-03 4607 0.891E-02 0.113E-01 RMM: 6 -0.366707886750E+03 -0.72408E-04 -0.24068E-04 3893 0.396E-02 0.164E-01 RMM: 7 -0.366707739467E+03 0.14728E-03 -0.12435E-04 3833 0.351E-02 0.871E-02 RMM: 8 -0.366707694779E+03 0.44687E-04 -0.36833E-05 3074 0.182E-02 0.399E-02 RMM: 9 -0.366707705224E+03 -0.10445E-04 -0.21033E-05 2563 0.131E-02 5234 T= 6305. E= 0.68275852E+03 F= 0.63059544E+03 E0= 0.66071423E+03 EK= 0.52163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366184979471E+03 0.52272E+00 -0.15780E-01 7548 0.235E+01 0.287E-01 RMM: 2 -0.366192142851E+03 -0.71634E-02 -0.53696E-02 5041 0.556E-01 0.783E-01 RMM: 3 -0.366188097883E+03 0.40450E-02 -0.55037E-03 5389 0.161E-01 0.200E-01 RMM: 4 -0.366188886695E+03 -0.78881E-03 -0.13749E-03 4711 0.943E-02 0.414E-01 RMM: 5 -0.366187858272E+03 0.10284E-02 -0.65402E-04 4606 0.699E-02 0.143E-01 RMM: 6 -0.366187752218E+03 0.10605E-03 -0.17214E-04 3886 0.341E-02 0.760E-02 RMM: 7 -0.366187764891E+03 -0.12673E-04 -0.72119E-05 3651 0.260E-02 5235 T= 6340. E= 0.68320047E+03 F= 0.63075043E+03 E0= 0.66084799E+03 EK= 0.52450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365517328942E+03 0.67042E+00 -0.15885E-01 7872 0.236E+01 0.371E-01 RMM: 2 -0.365521780117E+03 -0.44512E-02 -0.53315E-02 5174 0.565E-01 0.611E-01 RMM: 3 -0.365519866336E+03 0.19138E-02 -0.57075E-03 5386 0.168E-01 0.332E-01 RMM: 4 -0.365520963713E+03 -0.10974E-02 -0.18815E-03 4855 0.112E-01 0.546E-01 RMM: 5 -0.365519034599E+03 0.19291E-02 -0.99314E-04 4613 0.840E-02 0.123E-01 RMM: 6 -0.365519069353E+03 -0.34753E-04 -0.26287E-04 3908 0.415E-02 0.154E-01 RMM: 7 -0.365518964019E+03 0.10533E-03 -0.12569E-04 3830 0.348E-02 0.101E-01 RMM: 8 -0.365518898884E+03 0.65135E-04 -0.42953E-05 3176 0.194E-02 0.380E-02 RMM: 9 -0.365518909142E+03 -0.10258E-04 -0.24635E-05 2638 0.145E-02 5236 T= 6392. E= 0.68393407E+03 F= 0.63105327E+03 E0= 0.66113279E+03 EK= 0.52881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364734425639E+03 0.78447E+00 -0.16490E-01 7836 0.237E+01 0.297E-01 RMM: 2 -0.364742375690E+03 -0.79501E-02 -0.63867E-02 5034 0.604E-01 0.777E-01 RMM: 3 -0.364738373580E+03 0.40021E-02 -0.65576E-03 5440 0.169E-01 0.217E-01 RMM: 4 -0.364739015679E+03 -0.64210E-03 -0.14835E-03 4766 0.976E-02 0.395E-01 RMM: 5 -0.364738111594E+03 0.90409E-03 -0.69997E-04 4599 0.716E-02 0.167E-01 RMM: 6 -0.364737945357E+03 0.16624E-03 -0.18563E-04 3898 0.356E-02 0.688E-02 RMM: 7 -0.364737980678E+03 -0.35320E-04 -0.79222E-05 3727 0.264E-02 0.108E-01 RMM: 8 -0.364737903578E+03 0.77100E-04 -0.32928E-05 3011 0.180E-02 0.256E-02 RMM: 9 -0.364737904204E+03 -0.62623E-06 -0.89729E-06 2465 0.871E-03 5237 T= 6449. E= 0.68481570E+03 F= 0.63146804E+03 E0= 0.66153253E+03 EK= 0.53348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363883080566E+03 0.85482E+00 -0.16134E-01 7656 0.238E+01 0.340E-01 RMM: 2 -0.363888480396E+03 -0.53998E-02 -0.54773E-02 5188 0.554E-01 0.649E-01 RMM: 3 -0.363885940951E+03 0.25394E-02 -0.53927E-03 5396 0.158E-01 0.281E-01 RMM: 4 -0.363886847399E+03 -0.90645E-03 -0.17539E-03 4774 0.109E-01 0.483E-01 RMM: 5 -0.363885355445E+03 0.14920E-02 -0.79580E-04 4607 0.751E-02 0.126E-01 RMM: 6 -0.363885330324E+03 0.25121E-04 -0.19744E-04 3880 0.355E-02 0.120E-01 RMM: 7 -0.363885275151E+03 0.55173E-04 -0.10075E-04 3818 0.316E-02 0.912E-02 RMM: 8 -0.363885220638E+03 0.54513E-04 -0.28006E-05 2881 0.164E-02 0.295E-02 RMM: 9 -0.363885225081E+03 -0.44434E-05 -0.18132E-05 2507 0.123E-02 5238 T= 6495. E= 0.68568422E+03 F= 0.63195463E+03 E0= 0.66200742E+03 EK= 0.53730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362998162854E+03 0.88706E+00 -0.15867E-01 7584 0.238E+01 0.323E-01 RMM: 2 -0.363004757808E+03 -0.65950E-02 -0.54934E-02 5166 0.569E-01 0.762E-01 RMM: 3 -0.363001080589E+03 0.36772E-02 -0.57365E-03 5400 0.165E-01 0.246E-01 RMM: 4 -0.363001877157E+03 -0.79657E-03 -0.16391E-03 4745 0.103E-01 0.441E-01 RMM: 5 -0.363000696349E+03 0.11808E-02 -0.84233E-04 4606 0.785E-02 0.157E-01 RMM: 6 -0.363000571882E+03 0.12447E-03 -0.18676E-04 3900 0.354E-02 0.895E-02 RMM: 7 -0.363000591785E+03 -0.19902E-04 -0.10481E-04 3856 0.304E-02 5239 T= 6519. E= 0.68640207E+03 F= 0.63247315E+03 E0= 0.66251567E+03 EK= 0.53929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362115241354E+03 0.88533E+00 -0.15938E-01 7656 0.239E+01 0.369E-01 RMM: 2 -0.362119561835E+03 -0.43205E-02 -0.51510E-02 5191 0.547E-01 0.608E-01 RMM: 3 -0.362117694382E+03 0.18675E-02 -0.52324E-03 5365 0.160E-01 0.340E-01 RMM: 4 -0.362118735338E+03 -0.10410E-02 -0.19197E-03 4822 0.112E-01 0.539E-01 RMM: 5 -0.362116827009E+03 0.19083E-02 -0.10639E-03 4610 0.866E-02 0.109E-01 RMM: 6 -0.362116892308E+03 -0.65299E-04 -0.22411E-04 3884 0.382E-02 0.159E-01 RMM: 7 -0.362116760959E+03 0.13135E-03 -0.12281E-04 3846 0.345E-02 0.894E-02 RMM: 8 -0.362116711908E+03 0.49052E-04 -0.40061E-05 3146 0.187E-02 0.376E-02 RMM: 9 -0.362116721758E+03 -0.98505E-05 -0.22896E-05 2566 0.139E-02 5240 T= 6516. E= 0.68689465E+03 F= 0.63299037E+03 E0= 0.66302412E+03 EK= 0.53904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361252683348E+03 0.86403E+00 -0.16485E-01 7704 0.238E+01 0.295E-01 RMM: 2 -0.361260078508E+03 -0.73952E-02 -0.59983E-02 5101 0.583E-01 0.753E-01 RMM: 3 -0.361256347684E+03 0.37308E-02 -0.65180E-03 5399 0.170E-01 0.210E-01 RMM: 4 -0.361257225769E+03 -0.87809E-03 -0.13460E-03 4756 0.921E-02 0.437E-01 RMM: 5 -0.361256044636E+03 0.11811E-02 -0.61130E-04 4585 0.667E-02 0.128E-01 RMM: 6 -0.361255964419E+03 0.80216E-04 -0.16671E-04 3891 0.333E-02 0.764E-02 RMM: 7 -0.361255977832E+03 -0.13413E-04 -0.63039E-05 3513 0.241E-02 5241 T= 6489. E= 0.68716717E+03 F= 0.63348328E+03 E0= 0.66350873E+03 EK= 0.53684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360424543605E+03 0.83142E+00 -0.16454E-01 7596 0.239E+01 0.379E-01 RMM: 2 -0.360429326107E+03 -0.47825E-02 -0.53355E-02 5237 0.555E-01 0.663E-01 RMM: 3 -0.360426971431E+03 0.23547E-02 -0.54990E-03 5358 0.162E-01 0.336E-01 RMM: 4 -0.360428125295E+03 -0.11539E-02 -0.20043E-03 4799 0.115E-01 0.555E-01 RMM: 5 -0.360426106884E+03 0.20184E-02 -0.11377E-03 4618 0.896E-02 0.121E-01 RMM: 6 -0.360426137274E+03 -0.30390E-04 -0.24526E-04 3905 0.399E-02 0.151E-01 RMM: 7 -0.360426039618E+03 0.97656E-04 -0.12637E-04 3847 0.348E-02 0.103E-01 RMM: 8 -0.360425972075E+03 0.67543E-04 -0.41059E-05 3143 0.192E-02 0.372E-02 RMM: 9 -0.360425982961E+03 -0.10886E-04 -0.23632E-05 2617 0.140E-02 5242 T= 6449. E= 0.68729458E+03 F= 0.63394374E+03 E0= 0.66396150E+03 EK= 0.53351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359616853924E+03 0.80912E+00 -0.17029E-01 7452 0.238E+01 0.305E-01 RMM: 2 -0.359623605463E+03 -0.67515E-02 -0.58122E-02 5083 0.582E-01 0.724E-01 RMM: 3 -0.359620262407E+03 0.33431E-02 -0.63122E-03 5393 0.168E-01 0.232E-01 RMM: 4 -0.359620945456E+03 -0.68305E-03 -0.14537E-03 4750 0.961E-02 0.409E-01 RMM: 5 -0.359619965859E+03 0.97960E-03 -0.66484E-04 4594 0.694E-02 0.172E-01 RMM: 6 -0.359619790611E+03 0.17525E-03 -0.20264E-04 3903 0.370E-02 0.696E-02 RMM: 7 -0.359619823598E+03 -0.32988E-04 -0.73847E-05 3627 0.258E-02 0.106E-01 RMM: 8 -0.359619749766E+03 0.73832E-04 -0.27284E-05 2891 0.168E-02 0.272E-02 RMM: 9 -0.359619748922E+03 0.84444E-06 -0.92598E-06 2466 0.863E-03 5243 T= 6408. E= 0.68739163E+03 F= 0.63437851E+03 E0= 0.66438896E+03 EK= 0.53013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358817302694E+03 0.80245E+00 -0.16794E-01 7656 0.238E+01 0.348E-01 RMM: 2 -0.358822998598E+03 -0.56959E-02 -0.47308E-02 5293 0.514E-01 0.780E-01 RMM: 3 -0.358819235431E+03 0.37632E-02 -0.45211E-03 5352 0.149E-01 0.259E-01 RMM: 4 -0.358820299704E+03 -0.10643E-02 -0.18200E-03 4732 0.110E-01 0.493E-01 RMM: 5 -0.358818756595E+03 0.15431E-02 -0.84241E-04 4604 0.779E-02 0.147E-01 RMM: 6 -0.358818687748E+03 0.68847E-04 -0.21504E-04 3900 0.370E-02 0.117E-01 RMM: 7 -0.358818647613E+03 0.40135E-04 -0.10614E-04 3842 0.320E-02 0.998E-02 RMM: 8 -0.358818582402E+03 0.65211E-04 -0.35600E-05 3083 0.182E-02 0.302E-02 RMM: 9 -0.358818589236E+03 -0.68339E-05 -0.17168E-05 2516 0.118E-02 5244 T= 6378. E= 0.68757368E+03 F= 0.63480646E+03 E0= 0.66481148E+03 EK= 0.52767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357995279936E+03 0.82330E+00 -0.17126E-01 7308 0.238E+01 0.332E-01 RMM: 2 -0.358001888347E+03 -0.66084E-02 -0.48913E-02 5237 0.532E-01 0.826E-01 RMM: 3 -0.357997580812E+03 0.43075E-02 -0.53766E-03 5356 0.163E-01 0.261E-01 RMM: 4 -0.357998341078E+03 -0.76027E-03 -0.17219E-03 4741 0.105E-01 0.437E-01 RMM: 5 -0.357997181050E+03 0.11600E-02 -0.80761E-04 4600 0.770E-02 0.174E-01 RMM: 6 -0.357997024911E+03 0.15614E-03 -0.21526E-04 3896 0.377E-02 0.942E-02 RMM: 7 -0.357997053706E+03 -0.28795E-04 -0.10427E-04 3844 0.302E-02 0.123E-01 RMM: 8 -0.357996954799E+03 0.98907E-04 -0.44352E-05 3243 0.204E-02 0.326E-02 RMM: 9 -0.357996954931E+03 -0.13121E-06 -0.14186E-05 2497 0.109E-02 5245 T= 6367. E= 0.68792362E+03 F= 0.63525367E+03 E0= 0.66525537E+03 EK= 0.52670E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357128388014E+03 0.86857E+00 -0.17642E-01 7440 0.239E+01 0.343E-01 RMM: 2 -0.357135128273E+03 -0.67403E-02 -0.45324E-02 5327 0.508E-01 0.887E-01 RMM: 3 -0.357130152999E+03 0.49753E-02 -0.46646E-03 5352 0.154E-01 0.250E-01 RMM: 4 -0.357131087938E+03 -0.93494E-03 -0.18008E-03 4733 0.108E-01 0.462E-01 RMM: 5 -0.357129786492E+03 0.13014E-02 -0.81702E-04 4608 0.770E-02 0.179E-01 RMM: 6 -0.357129626690E+03 0.15980E-03 -0.24531E-04 3920 0.403E-02 0.104E-01 RMM: 7 -0.357129649214E+03 -0.22524E-04 -0.11801E-04 3849 0.316E-02 0.125E-01 RMM: 8 -0.357129543603E+03 0.10561E-03 -0.58080E-05 3394 0.229E-02 0.366E-02 RMM: 9 -0.357129541590E+03 0.20124E-05 -0.14333E-05 2506 0.109E-02 5246 T= 6374. E= 0.68847452E+03 F= 0.63574620E+03 E0= 0.66574779E+03 EK= 0.52728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356194627468E+03 0.93492E+00 -0.17151E-01 7608 0.239E+01 0.337E-01 RMM: 2 -0.356202275086E+03 -0.76476E-02 -0.49094E-02 5257 0.520E-01 0.912E-01 RMM: 3 -0.356196847006E+03 0.54281E-02 -0.52725E-03 5353 0.162E-01 0.253E-01 RMM: 4 -0.356197801079E+03 -0.95407E-03 -0.18171E-03 4748 0.109E-01 0.466E-01 RMM: 5 -0.356196443994E+03 0.13571E-02 -0.80955E-04 4604 0.769E-02 0.161E-01 RMM: 6 -0.356196333270E+03 0.11072E-03 -0.22909E-04 3902 0.386E-02 0.107E-01 RMM: 7 -0.356196340453E+03 -0.71830E-05 -0.10784E-04 3842 0.307E-02 5247 T= 6395. E= 0.68920724E+03 F= 0.63630484E+03 E0= 0.66631001E+03 EK= 0.52902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355185721534E+03 0.10106E+01 -0.16902E-01 7596 0.239E+01 0.376E-01 RMM: 2 -0.355192825292E+03 -0.71038E-02 -0.50780E-02 5285 0.539E-01 0.907E-01 RMM: 3 -0.355187823724E+03 0.50016E-02 -0.56673E-03 5366 0.169E-01 0.308E-01 RMM: 4 -0.355188674064E+03 -0.85034E-03 -0.20731E-03 4804 0.114E-01 0.488E-01 RMM: 5 -0.355187140625E+03 0.15334E-02 -0.11130E-03 4608 0.900E-02 0.151E-01 RMM: 6 -0.355187120188E+03 0.20437E-04 -0.24755E-04 3891 0.404E-02 0.150E-01 RMM: 7 -0.355187036948E+03 0.83240E-04 -0.13862E-04 3864 0.359E-02 0.114E-01 RMM: 8 -0.355186954358E+03 0.82590E-04 -0.58717E-05 3379 0.225E-02 0.371E-02 RMM: 9 -0.355186967280E+03 -0.12922E-04 -0.19703E-05 2564 0.128E-02 5248 T= 6421. E= 0.69006346E+03 F= 0.63694062E+03 E0= 0.66695276E+03 EK= 0.53123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354103379055E+03 0.10836E+01 -0.16812E-01 7716 0.239E+01 0.295E-01 RMM: 2 -0.354109138022E+03 -0.57590E-02 -0.49661E-02 5247 0.517E-01 0.699E-01 RMM: 3 -0.354106015776E+03 0.31222E-02 -0.49565E-03 5369 0.154E-01 0.244E-01 RMM: 4 -0.354106744135E+03 -0.72836E-03 -0.13463E-03 4644 0.924E-02 0.422E-01 RMM: 5 -0.354105657108E+03 0.10870E-02 -0.60083E-04 4603 0.663E-02 0.146E-01 RMM: 6 -0.354105548855E+03 0.10825E-03 -0.19716E-04 3902 0.362E-02 0.827E-02 RMM: 7 -0.354105571764E+03 -0.22909E-04 -0.73571E-05 3574 0.253E-02 0.107E-01 RMM: 8 -0.354105497451E+03 0.74313E-04 -0.31384E-05 2987 0.177E-02 0.275E-02 RMM: 9 -0.354105494777E+03 0.26744E-05 -0.78519E-06 2456 0.796E-03 5249 T= 6445. E= 0.69096662E+03 F= 0.63764987E+03 E0= 0.66767126E+03 EK= 0.53317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352968878430E+03 0.11366E+01 -0.17098E-01 7668 0.239E+01 0.362E-01 RMM: 2 -0.352975363340E+03 -0.64849E-02 -0.49901E-02 5321 0.525E-01 0.852E-01 RMM: 3 -0.352970922959E+03 0.44404E-02 -0.53492E-03 5353 0.164E-01 0.306E-01 RMM: 4 -0.352971573093E+03 -0.65013E-03 -0.18623E-03 4743 0.107E-01 0.451E-01 RMM: 5 -0.352970372341E+03 0.12008E-02 -0.97506E-04 4606 0.843E-02 0.201E-01 RMM: 6 -0.352970159965E+03 0.21238E-03 -0.29431E-04 3919 0.449E-02 0.108E-01 RMM: 7 -0.352970193809E+03 -0.33844E-04 -0.12726E-04 3871 0.325E-02 0.133E-01 RMM: 8 -0.352970078386E+03 0.11542E-03 -0.63321E-05 3458 0.236E-02 0.500E-02 RMM: 9 -0.352970066375E+03 0.12011E-04 -0.17492E-05 2536 0.123E-02 5250 T= 6459. E= 0.69184712E+03 F= 0.63841459E+03 E0= 0.66844666E+03 EK= 0.53433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351806358543E+03 0.11637E+01 -0.17252E-01 7584 0.238E+01 0.357E-01 RMM: 2 -0.351817500884E+03 -0.11142E-01 -0.51150E-02 5332 0.525E-01 0.118E+00 RMM: 3 -0.351808403901E+03 0.90970E-02 -0.60440E-03 5338 0.179E-01 0.246E-01 RMM: 4 -0.351809377885E+03 -0.97398E-03 -0.19149E-03 4771 0.107E-01 0.471E-01 RMM: 5 -0.351808045241E+03 0.13326E-02 -0.87262E-04 4603 0.807E-02 0.178E-01 RMM: 6 -0.351807887895E+03 0.15735E-03 -0.22674E-04 3893 0.386E-02 0.100E-01 RMM: 7 -0.351807912939E+03 -0.25044E-04 -0.11280E-04 3844 0.309E-02 0.125E-01 RMM: 8 -0.351807810999E+03 0.10194E-03 -0.50999E-05 3313 0.216E-02 0.360E-02 RMM: 9 -0.351807810856E+03 0.14319E-06 -0.14282E-05 2506 0.108E-02 5251 T= 6462. E= 0.69266195E+03 F= 0.63920760E+03 E0= 0.66924988E+03 EK= 0.53454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350648750973E+03 0.11591E+01 -0.17495E-01 7752 0.238E+01 0.360E-01 RMM: 2 -0.350660856195E+03 -0.12105E-01 -0.55228E-02 5267 0.551E-01 0.123E+00 RMM: 3 -0.350651167001E+03 0.96892E-02 -0.68522E-03 5357 0.189E-01 0.262E-01 RMM: 4 -0.350651907856E+03 -0.74085E-03 -0.20826E-03 4837 0.111E-01 0.442E-01 RMM: 5 -0.350650953415E+03 0.95444E-03 -0.82917E-04 4604 0.771E-02 0.244E-01 RMM: 6 -0.350650578163E+03 0.37525E-03 -0.29236E-04 3917 0.450E-02 0.817E-02 RMM: 7 -0.350650637352E+03 -0.59190E-04 -0.13309E-04 3884 0.327E-02 0.131E-01 RMM: 8 -0.350650526207E+03 0.11115E-03 -0.59827E-05 3426 0.230E-02 0.412E-02 RMM: 9 -0.350650518822E+03 0.73849E-05 -0.15128E-05 2514 0.116E-02 5252 T= 6455. E= 0.69339982E+03 F= 0.63999699E+03 E0= 0.67004731E+03 EK= 0.53403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349524377559E+03 0.11261E+01 -0.17496E-01 7956 0.237E+01 0.361E-01 RMM: 2 -0.349536004466E+03 -0.11627E-01 -0.61368E-02 5152 0.581E-01 0.114E+00 RMM: 3 -0.349527455678E+03 0.85488E-02 -0.73861E-03 5358 0.195E-01 0.277E-01 RMM: 4 -0.349528257351E+03 -0.80167E-03 -0.21168E-03 4917 0.111E-01 0.458E-01 RMM: 5 -0.349527067444E+03 0.11899E-02 -0.95560E-04 4608 0.844E-02 0.204E-01 RMM: 6 -0.349526837499E+03 0.22995E-03 -0.23388E-04 3896 0.394E-02 0.934E-02 RMM: 7 -0.349526873708E+03 -0.36209E-04 -0.13318E-04 3882 0.326E-02 0.125E-01 RMM: 8 -0.349526772196E+03 0.10151E-03 -0.59646E-05 3396 0.233E-02 0.412E-02 RMM: 9 -0.349526766840E+03 0.53563E-05 -0.13216E-05 2505 0.106E-02 5253 T= 6446. E= 0.69407601E+03 F= 0.64075404E+03 E0= 0.67080885E+03 EK= 0.53322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348459499129E+03 0.10673E+01 -0.16822E-01 7728 0.237E+01 0.356E-01 RMM: 2 -0.348469973189E+03 -0.10474E-01 -0.53282E-02 5310 0.541E-01 0.112E+00 RMM: 3 -0.348461868817E+03 0.81044E-02 -0.60552E-03 5362 0.176E-01 0.272E-01 RMM: 4 -0.348462548537E+03 -0.67972E-03 -0.19961E-03 4720 0.109E-01 0.438E-01 RMM: 5 -0.348461556702E+03 0.99183E-03 -0.89996E-04 4608 0.809E-02 0.228E-01 RMM: 6 -0.348461245590E+03 0.31111E-03 -0.27433E-04 3907 0.435E-02 0.864E-02 RMM: 7 -0.348461300943E+03 -0.55353E-04 -0.13152E-04 3874 0.323E-02 0.131E-01 RMM: 8 -0.348461187467E+03 0.11348E-03 -0.62273E-05 3439 0.237E-02 0.405E-02 RMM: 9 -0.348461181870E+03 0.55973E-05 -0.14536E-05 2514 0.113E-02 5254 T= 6438. E= 0.69471737E+03 F= 0.64145408E+03 E0= 0.67150901E+03 EK= 0.53263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347473800366E+03 0.98739E+00 -0.16580E-01 7956 0.236E+01 0.372E-01 RMM: 2 -0.347487310614E+03 -0.13510E-01 -0.54618E-02 5312 0.556E-01 0.133E+00 RMM: 3 -0.347476205671E+03 0.11105E-01 -0.70357E-03 5346 0.196E-01 0.292E-01 RMM: 4 -0.347476661883E+03 -0.45621E-03 -0.21389E-03 4840 0.112E-01 0.407E-01 RMM: 5 -0.347475808706E+03 0.85318E-03 -0.94792E-04 4607 0.843E-02 0.226E-01 RMM: 6 -0.347475505224E+03 0.30348E-03 -0.25150E-04 3908 0.414E-02 0.879E-02 RMM: 7 -0.347475554277E+03 -0.49053E-04 -0.14136E-04 3883 0.332E-02 0.129E-01 RMM: 8 -0.347475450202E+03 0.10408E-03 -0.62752E-05 3435 0.240E-02 0.485E-02 RMM: 9 -0.347475439101E+03 0.11100E-04 -0.14057E-05 2513 0.111E-02 5255 T= 6439. E= 0.69534325E+03 F= 0.64207543E+03 E0= 0.67212544E+03 EK= 0.53268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346586376549E+03 0.88907E+00 -0.16597E-01 7908 0.237E+01 0.379E-01 RMM: 2 -0.346602252394E+03 -0.15876E-01 -0.61100E-02 5232 0.593E-01 0.140E+00 RMM: 3 -0.346589346544E+03 0.12906E-01 -0.82120E-03 5335 0.213E-01 0.310E-01 RMM: 4 -0.346589668165E+03 -0.32162E-03 -0.21262E-03 4808 0.110E-01 0.399E-01 RMM: 5 -0.346589062282E+03 0.60588E-03 -0.90955E-04 4601 0.803E-02 0.278E-01 RMM: 6 -0.346588583883E+03 0.47840E-03 -0.34151E-04 3950 0.490E-02 0.840E-02 RMM: 7 -0.346588648013E+03 -0.64130E-04 -0.14914E-04 3884 0.339E-02 0.136E-01 RMM: 8 -0.346588529949E+03 0.11806E-03 -0.70253E-05 3509 0.251E-02 0.453E-02 RMM: 9 -0.346588520975E+03 0.89746E-05 -0.15685E-05 2531 0.119E-02 5256 T= 6449. E= 0.69595091E+03 F= 0.64259915E+03 E0= 0.67263929E+03 EK= 0.53352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345815314092E+03 0.77322E+00 -0.16490E-01 7968 0.238E+01 0.367E-01 RMM: 2 -0.345829285862E+03 -0.13972E-01 -0.61724E-02 5196 0.594E-01 0.129E+00 RMM: 3 -0.345818635027E+03 0.10651E-01 -0.78958E-03 5344 0.206E-01 0.314E-01 RMM: 4 -0.345818826290E+03 -0.19126E-03 -0.20786E-03 4835 0.109E-01 0.371E-01 RMM: 5 -0.345818235673E+03 0.59062E-03 -0.94180E-04 4602 0.843E-02 0.250E-01 RMM: 6 -0.345817847731E+03 0.38794E-03 -0.26501E-04 3909 0.427E-02 0.800E-02 RMM: 7 -0.345817904571E+03 -0.56839E-04 -0.14485E-04 3882 0.339E-02 0.129E-01 RMM: 8 -0.345817798392E+03 0.10618E-03 -0.60606E-05 3418 0.237E-02 0.444E-02 RMM: 9 -0.345817789932E+03 0.84604E-05 -0.13811E-05 2505 0.110E-02 5257 T= 6468. E= 0.69651156E+03 F= 0.64300782E+03 E0= 0.67303352E+03 EK= 0.53504E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345181278750E+03 0.63652E+00 -0.16705E-01 8016 0.239E+01 0.379E-01 RMM: 2 -0.345198849223E+03 -0.17570E-01 -0.61421E-02 5262 0.600E-01 0.150E+00 RMM: 3 -0.345184292489E+03 0.14557E-01 -0.83266E-03 5335 0.216E-01 0.302E-01 RMM: 4 -0.345184568093E+03 -0.27560E-03 -0.20727E-03 4794 0.109E-01 0.380E-01 RMM: 5 -0.345183953551E+03 0.61454E-03 -0.87285E-04 4600 0.793E-02 0.257E-01 RMM: 6 -0.345183552936E+03 0.40062E-03 -0.31621E-04 3921 0.469E-02 0.862E-02 RMM: 7 -0.345183621367E+03 -0.68431E-04 -0.14766E-04 3878 0.343E-02 0.139E-01 RMM: 8 -0.345183494545E+03 0.12682E-03 -0.66060E-05 3480 0.245E-02 0.395E-02 RMM: 9 -0.345183489620E+03 0.49257E-05 -0.13654E-05 2510 0.109E-02 5258 T= 6490. E= 0.69697122E+03 F= 0.64328102E+03 E0= 0.67328856E+03 EK= 0.53690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344703576841E+03 0.47992E+00 -0.16617E-01 7740 0.240E+01 0.367E-01 RMM: 2 -0.344717712923E+03 -0.14136E-01 -0.68121E-02 5201 0.625E-01 0.128E+00 RMM: 3 -0.344707378702E+03 0.10334E-01 -0.83841E-03 5359 0.209E-01 0.295E-01 RMM: 4 -0.344707648582E+03 -0.26988E-03 -0.20015E-03 4863 0.107E-01 0.375E-01 RMM: 5 -0.344706989190E+03 0.65939E-03 -0.92023E-04 4604 0.830E-02 0.237E-01 RMM: 6 -0.344706652680E+03 0.33651E-03 -0.28058E-04 3898 0.438E-02 0.877E-02 RMM: 7 -0.344706725043E+03 -0.72363E-04 -0.14474E-04 3872 0.340E-02 0.144E-01 RMM: 8 -0.344706593952E+03 0.13109E-03 -0.63042E-05 3459 0.240E-02 0.420E-02 RMM: 9 -0.344706587494E+03 0.64578E-05 -0.13858E-05 2512 0.109E-02 5259 T= 6511. E= 0.69726340E+03 F= 0.64339737E+03 E0= 0.67338361E+03 EK= 0.53866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344402620030E+03 0.30397E+00 -0.16577E-01 7896 0.241E+01 0.374E-01 RMM: 2 -0.344419222900E+03 -0.16603E-01 -0.63486E-02 5295 0.606E-01 0.142E+00 RMM: 3 -0.344405857220E+03 0.13366E-01 -0.81353E-03 5334 0.212E-01 0.289E-01 RMM: 4 -0.344406259939E+03 -0.40272E-03 -0.20029E-03 4788 0.108E-01 0.396E-01 RMM: 5 -0.344405526789E+03 0.73315E-03 -0.84757E-04 4599 0.782E-02 0.246E-01 RMM: 6 -0.344405168134E+03 0.35866E-03 -0.30590E-04 3902 0.457E-02 0.900E-02 RMM: 7 -0.344405229785E+03 -0.61651E-04 -0.14644E-04 3866 0.350E-02 0.139E-01 RMM: 8 -0.344405102573E+03 0.12721E-03 -0.64674E-05 3460 0.241E-02 0.355E-02 RMM: 9 -0.344405101681E+03 0.89154E-06 -0.14861E-05 2512 0.113E-02 5260 T= 6526. E= 0.69732449E+03 F= 0.64333824E+03 E0= 0.67330136E+03 EK= 0.53986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344284837887E+03 0.12026E+00 -0.16683E-01 7656 0.242E+01 0.349E-01 RMM: 2 -0.344296554517E+03 -0.11717E-01 -0.67865E-02 5208 0.619E-01 0.110E+00 RMM: 3 -0.344288783050E+03 0.77715E-02 -0.78377E-03 5371 0.199E-01 0.282E-01 RMM: 4 -0.344289213528E+03 -0.43048E-03 -0.18371E-03 4825 0.104E-01 0.396E-01 RMM: 5 -0.344288342780E+03 0.87075E-03 -0.87551E-04 4607 0.813E-02 0.196E-01 RMM: 6 -0.344288132277E+03 0.21050E-03 -0.22856E-04 3900 0.391E-02 0.954E-02 RMM: 7 -0.344288160067E+03 -0.27790E-04 -0.12725E-04 3866 0.329E-02 0.125E-01 RMM: 8 -0.344288059958E+03 0.10011E-03 -0.49517E-05 3306 0.214E-02 0.333E-02 RMM: 9 -0.344288060463E+03 -0.50591E-06 -0.12884E-05 2499 0.103E-02 5261 T= 6530. E= 0.69711094E+03 F= 0.64309378E+03 E0= 0.67303287E+03 EK= 0.54017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344346631426E+03 -0.58571E-01 -0.17074E-01 7584 0.242E+01 0.343E-01 RMM: 2 -0.344357912080E+03 -0.11281E-01 -0.71634E-02 5165 0.632E-01 0.103E+00 RMM: 3 -0.344350905629E+03 0.70065E-02 -0.78358E-03 5400 0.192E-01 0.258E-01 RMM: 4 -0.344351635984E+03 -0.73035E-03 -0.18422E-03 4829 0.106E-01 0.440E-01 RMM: 5 -0.344350484024E+03 0.11520E-02 -0.84211E-04 4602 0.779E-02 0.178E-01 RMM: 6 -0.344350347969E+03 0.13606E-03 -0.25587E-04 3892 0.409E-02 0.113E-01 RMM: 7 -0.344350342517E+03 0.54520E-05 -0.11738E-04 3840 0.329E-02 5262 T= 6521. E= 0.69661071E+03 F= 0.64266821E+03 E0= 0.67258366E+03 EK= 0.53942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344563478660E+03 -0.21313E+00 -0.17284E-01 7620 0.243E+01 0.375E-01 RMM: 2 -0.344571907944E+03 -0.84293E-02 -0.70322E-02 5186 0.630E-01 0.856E-01 RMM: 3 -0.344567422526E+03 0.44854E-02 -0.75402E-03 5382 0.190E-01 0.303E-01 RMM: 4 -0.344568272821E+03 -0.85029E-03 -0.19493E-03 4862 0.109E-01 0.491E-01 RMM: 5 -0.344566763291E+03 0.15095E-02 -0.11286E-03 4608 0.917E-02 0.167E-01 RMM: 6 -0.344566695024E+03 0.68268E-04 -0.30519E-04 3911 0.450E-02 0.144E-01 RMM: 7 -0.344566662309E+03 0.32715E-04 -0.15440E-04 3885 0.369E-02 0.134E-01 RMM: 8 -0.344566544067E+03 0.11824E-03 -0.66633E-05 3475 0.242E-02 0.436E-02 RMM: 9 -0.344566546212E+03 -0.21443E-05 -0.21478E-05 2597 0.135E-02 5263 T= 6499. E= 0.69585233E+03 F= 0.64208602E+03 E0= 0.67198027E+03 EK= 0.53766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344888583486E+03 -0.32204E+00 -0.17004E-01 7512 0.242E+01 0.302E-01 RMM: 2 -0.344896921078E+03 -0.83376E-02 -0.64087E-02 5131 0.599E-01 0.818E-01 RMM: 3 -0.344892608338E+03 0.43127E-02 -0.67953E-03 5386 0.178E-01 0.239E-01 RMM: 4 -0.344893093380E+03 -0.48504E-03 -0.14307E-03 4723 0.931E-02 0.379E-01 RMM: 5 -0.344892261951E+03 0.83143E-03 -0.70707E-04 4608 0.724E-02 0.170E-01 RMM: 6 -0.344892115405E+03 0.14655E-03 -0.23647E-04 3897 0.404E-02 0.904E-02 RMM: 7 -0.344892145741E+03 -0.30336E-04 -0.89482E-05 3680 0.281E-02 0.117E-01 RMM: 8 -0.344892054517E+03 0.91224E-04 -0.37458E-05 3110 0.190E-02 0.292E-02 RMM: 9 -0.344892051648E+03 0.28697E-05 -0.86133E-06 2465 0.833E-03 5264 T= 6468. E= 0.69490136E+03 F= 0.64139103E+03 E0= 0.67126721E+03 EK= 0.53510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345268159420E+03 -0.37610E+00 -0.16529E-01 7536 0.241E+01 0.376E-01 RMM: 2 -0.345279910947E+03 -0.11752E-01 -0.63061E-02 5212 0.606E-01 0.115E+00 RMM: 3 -0.345271249798E+03 0.86611E-02 -0.75237E-03 5346 0.199E-01 0.277E-01 RMM: 4 -0.345272053418E+03 -0.80362E-03 -0.21599E-03 5051 0.114E-01 0.463E-01 RMM: 5 -0.345270886387E+03 0.11670E-02 -0.10235E-03 4608 0.876E-02 0.232E-01 RMM: 6 -0.345270570345E+03 0.31604E-03 -0.30578E-04 3914 0.456E-02 0.982E-02 RMM: 7 -0.345270618229E+03 -0.47884E-04 -0.15915E-04 3880 0.367E-02 0.141E-01 RMM: 8 -0.345270488291E+03 0.12994E-03 -0.67101E-05 3482 0.247E-02 0.341E-02 RMM: 9 -0.345270493228E+03 -0.49367E-05 -0.19102E-05 2559 0.126E-02 5265 T= 6432. E= 0.69384953E+03 F= 0.64063905E+03 E0= 0.67050226E+03 EK= 0.53210E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345641382424E+03 -0.37089E+00 -0.16488E-01 7560 0.241E+01 0.349E-01 RMM: 2 -0.345650925985E+03 -0.95436E-02 -0.62822E-02 5176 0.610E-01 0.962E-01 RMM: 3 -0.345644820674E+03 0.61053E-02 -0.72107E-03 5359 0.191E-01 0.264E-01 RMM: 4 -0.345645395409E+03 -0.57474E-03 -0.17231E-03 4780 0.102E-01 0.412E-01 RMM: 5 -0.345644365597E+03 0.10298E-02 -0.88664E-04 4608 0.812E-02 0.182E-01 RMM: 6 -0.345644224084E+03 0.14151E-03 -0.28394E-04 3905 0.441E-02 0.117E-01 RMM: 7 -0.345644246272E+03 -0.22188E-04 -0.12574E-04 3848 0.333E-02 0.136E-01 RMM: 8 -0.345644123377E+03 0.12290E-03 -0.57064E-05 3399 0.227E-02 0.369E-02 RMM: 9 -0.345644121757E+03 0.16194E-05 -0.15199E-05 2520 0.113E-02 5266 T= 6397. E= 0.69280413E+03 F= 0.63988760E+03 E0= 0.66974327E+03 EK= 0.52917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345970393828E+03 -0.32627E+00 -0.16176E-01 7488 0.240E+01 0.375E-01 RMM: 2 -0.345982894358E+03 -0.12501E-01 -0.59397E-02 5229 0.596E-01 0.121E+00 RMM: 3 -0.345973099861E+03 0.97945E-02 -0.72928E-03 5340 0.200E-01 0.267E-01 RMM: 4 -0.345973968786E+03 -0.86892E-03 -0.20537E-03 4905 0.111E-01 0.467E-01 RMM: 5 -0.345972722484E+03 0.12463E-02 -0.96495E-04 4608 0.853E-02 0.210E-01 RMM: 6 -0.345972478428E+03 0.24406E-03 -0.27748E-04 3903 0.429E-02 0.101E-01 RMM: 7 -0.345972525878E+03 -0.47450E-04 -0.14478E-04 3881 0.344E-02 0.141E-01 RMM: 8 -0.345972394721E+03 0.13116E-03 -0.67631E-05 3486 0.247E-02 0.326E-02 RMM: 9 -0.345972399877E+03 -0.51559E-05 -0.15671E-05 2532 0.115E-02 5267 T= 6369. E= 0.69186620E+03 F= 0.63917737E+03 E0= 0.66903162E+03 EK= 0.52689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346239241392E+03 -0.26685E+00 -0.16240E-01 7608 0.239E+01 0.391E-01 RMM: 2 -0.346252530590E+03 -0.13289E-01 -0.60561E-02 5252 0.611E-01 0.126E+00 RMM: 3 -0.346242077627E+03 0.10453E-01 -0.80303E-03 5341 0.212E-01 0.320E-01 RMM: 4 -0.346242306620E+03 -0.22899E-03 -0.20614E-03 4835 0.109E-01 0.387E-01 RMM: 5 -0.346241519217E+03 0.78740E-03 -0.96167E-04 4608 0.850E-02 0.229E-01 RMM: 6 -0.346241229412E+03 0.28980E-03 -0.31604E-04 3932 0.468E-02 0.102E-01 RMM: 7 -0.346241286858E+03 -0.57445E-04 -0.13495E-04 3869 0.338E-02 0.143E-01 RMM: 8 -0.346241149807E+03 0.13705E-03 -0.61639E-05 3426 0.236E-02 0.390E-02 RMM: 9 -0.346241147599E+03 0.22078E-05 -0.15686E-05 2518 0.115E-02 5268 T= 6357. E= 0.69111223E+03 F= 0.63852299E+03 E0= 0.66838154E+03 EK= 0.52589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346464337619E+03 -0.22319E+00 -0.16427E-01 7872 0.238E+01 0.407E-01 RMM: 2 -0.346479420968E+03 -0.15083E-01 -0.62838E-02 5275 0.620E-01 0.137E+00 RMM: 3 -0.346467079007E+03 0.12342E-01 -0.89033E-03 5338 0.227E-01 0.330E-01 RMM: 4 -0.346467457476E+03 -0.37847E-03 -0.22838E-03 4952 0.115E-01 0.419E-01 RMM: 5 -0.346466655892E+03 0.80158E-03 -0.99315E-04 4604 0.859E-02 0.270E-01 RMM: 6 -0.346466188806E+03 0.46709E-03 -0.33288E-04 3965 0.480E-02 0.896E-02 RMM: 7 -0.346466290896E+03 -0.10209E-03 -0.17694E-04 3888 0.360E-02 0.160E-01 RMM: 8 -0.346466121859E+03 0.16904E-03 -0.84907E-05 3608 0.279E-02 0.383E-02 RMM: 9 -0.346466120184E+03 0.16752E-05 -0.16519E-05 2538 0.118E-02 5269 T= 6366. E= 0.69057435E+03 F= 0.63790941E+03 E0= 0.66777698E+03 EK= 0.52665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346682185878E+03 -0.21606E+00 -0.16714E-01 7788 0.238E+01 0.405E-01 RMM: 2 -0.346695891169E+03 -0.13705E-01 -0.64471E-02 5233 0.629E-01 0.127E+00 RMM: 3 -0.346685181331E+03 0.10710E-01 -0.88692E-03 5366 0.222E-01 0.323E-01 RMM: 4 -0.346685468894E+03 -0.28756E-03 -0.22818E-03 4907 0.114E-01 0.403E-01 RMM: 5 -0.346684613738E+03 0.85516E-03 -0.10049E-03 4608 0.871E-02 0.231E-01 RMM: 6 -0.346684310362E+03 0.30338E-03 -0.29293E-04 3929 0.451E-02 0.983E-02 RMM: 7 -0.346684383504E+03 -0.73142E-04 -0.14596E-04 3879 0.341E-02 0.149E-01 RMM: 8 -0.346684236108E+03 0.14740E-03 -0.71026E-05 3532 0.253E-02 0.410E-02 RMM: 9 -0.346684231459E+03 0.46486E-05 -0.15289E-05 2522 0.114E-02 5270 T= 6397. E= 0.69022482E+03 F= 0.63730047E+03 E0= 0.66718070E+03 EK= 0.52924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346930435190E+03 -0.24620E+00 -0.16865E-01 7884 0.237E+01 0.405E-01 RMM: 2 -0.346943852685E+03 -0.13417E-01 -0.69831E-02 5185 0.646E-01 0.123E+00 RMM: 3 -0.346933810428E+03 0.10042E-01 -0.96262E-03 5360 0.232E-01 0.319E-01 RMM: 4 -0.346934205233E+03 -0.39481E-03 -0.22422E-03 4983 0.113E-01 0.417E-01 RMM: 5 -0.346933342758E+03 0.86248E-03 -0.10534E-03 4607 0.893E-02 0.251E-01 RMM: 6 -0.346932951208E+03 0.39155E-03 -0.29121E-04 3926 0.449E-02 0.870E-02 RMM: 7 -0.346933051116E+03 -0.99908E-04 -0.16235E-04 3888 0.347E-02 0.158E-01 RMM: 8 -0.346932888167E+03 0.16295E-03 -0.80318E-05 3590 0.271E-02 0.404E-02 RMM: 9 -0.346932884599E+03 0.35680E-05 -0.16644E-05 2536 0.119E-02 5271 T= 6445. E= 0.68997469E+03 F= 0.63665932E+03 E0= 0.66655440E+03 EK= 0.53315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347225336986E+03 -0.29245E+00 -0.16751E-01 7848 0.237E+01 0.383E-01 RMM: 2 -0.347237671462E+03 -0.12334E-01 -0.65827E-02 5254 0.614E-01 0.117E+00 RMM: 3 -0.347228599465E+03 0.90720E-02 -0.77746E-03 5405 0.201E-01 0.288E-01 RMM: 4 -0.347229104008E+03 -0.50454E-03 -0.22175E-03 4879 0.114E-01 0.420E-01 RMM: 5 -0.347228131740E+03 0.97227E-03 -0.10575E-03 4608 0.897E-02 0.219E-01 RMM: 6 -0.347227867984E+03 0.26376E-03 -0.27187E-04 3919 0.432E-02 0.102E-01 RMM: 7 -0.347227899213E+03 -0.31229E-04 -0.15224E-04 3877 0.361E-02 0.131E-01 RMM: 8 -0.347227784491E+03 0.11472E-03 -0.66531E-05 3471 0.245E-02 0.347E-02 RMM: 9 -0.347227786940E+03 -0.24489E-05 -0.15293E-05 2517 0.114E-02 5272 T= 6494. E= 0.68968964E+03 F= 0.63597039E+03 E0= 0.66588159E+03 EK= 0.53719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347545677475E+03 -0.31789E+00 -0.16759E-01 7980 0.237E+01 0.368E-01 RMM: 2 -0.347557076657E+03 -0.11399E-01 -0.71395E-02 5163 0.627E-01 0.107E+00 RMM: 3 -0.347549638936E+03 0.74377E-02 -0.82783E-03 5399 0.203E-01 0.290E-01 RMM: 4 -0.347550334537E+03 -0.69560E-03 -0.20893E-03 5006 0.112E-01 0.454E-01 RMM: 5 -0.347549139742E+03 0.11948E-02 -0.10818E-03 4608 0.904E-02 0.199E-01 RMM: 6 -0.347548934922E+03 0.20482E-03 -0.26959E-04 3895 0.427E-02 0.108E-01 RMM: 7 -0.347548958855E+03 -0.23933E-04 -0.15090E-04 3870 0.365E-02 0.134E-01 RMM: 8 -0.347548843389E+03 0.11547E-03 -0.58456E-05 3390 0.231E-02 0.361E-02 RMM: 9 -0.347548845563E+03 -0.21740E-05 -0.16070E-05 2523 0.117E-02 5273 T= 6525. E= 0.68922958E+03 F= 0.63525342E+03 E0= 0.66518067E+03 EK= 0.53976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347836660555E+03 -0.28782E+00 -0.16738E-01 8184 0.237E+01 0.354E-01 RMM: 2 -0.347845311435E+03 -0.86509E-02 -0.73462E-02 5162 0.621E-01 0.818E-01 RMM: 3 -0.347840901976E+03 0.44095E-02 -0.74875E-03 5473 0.183E-01 0.270E-01 RMM: 4 -0.347841861849E+03 -0.95987E-03 -0.20659E-03 4918 0.115E-01 0.491E-01 RMM: 5 -0.347840400735E+03 0.14611E-02 -0.10145E-03 4604 0.861E-02 0.175E-01 RMM: 6 -0.347840276887E+03 0.12385E-03 -0.26674E-04 3915 0.421E-02 0.121E-01 RMM: 7 -0.347840251737E+03 0.25150E-04 -0.14299E-04 3861 0.371E-02 0.118E-01 RMM: 8 -0.347840161719E+03 0.90018E-04 -0.47122E-05 3246 0.208E-02 0.338E-02 RMM: 9 -0.347840167870E+03 -0.61516E-05 -0.21107E-05 2560 0.137E-02 5274 T= 6521. E= 0.68850684E+03 F= 0.63456353E+03 E0= 0.66450640E+03 EK= 0.53943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348024288982E+03 -0.18413E+00 -0.16923E-01 8100 0.236E+01 0.380E-01 RMM: 2 -0.348037496283E+03 -0.13207E-01 -0.74803E-02 5113 0.640E-01 0.115E+00 RMM: 3 -0.348028494559E+03 0.90017E-02 -0.91216E-03 5391 0.217E-01 0.320E-01 RMM: 4 -0.348028800773E+03 -0.30621E-03 -0.21381E-03 4957 0.111E-01 0.399E-01 RMM: 5 -0.348027990434E+03 0.81034E-03 -0.11282E-03 4604 0.929E-02 0.240E-01 RMM: 6 -0.348027660264E+03 0.33017E-03 -0.31070E-04 3937 0.462E-02 0.101E-01 RMM: 7 -0.348027718952E+03 -0.58688E-04 -0.17184E-04 3880 0.384E-02 0.147E-01 RMM: 8 -0.348027578672E+03 0.14028E-03 -0.75862E-05 3571 0.262E-02 0.396E-02 RMM: 9 -0.348027578630E+03 0.41840E-07 -0.16680E-05 2534 0.121E-02 5275 T= 6475. E= 0.68753940E+03 F= 0.63397395E+03 E0= 0.66393049E+03 EK= 0.53565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348043702855E+03 -0.16124E-01 -0.16370E-01 8292 0.234E+01 0.400E-01 RMM: 2 -0.348055814083E+03 -0.12111E-01 -0.70062E-02 5254 0.604E-01 0.115E+00 RMM: 3 -0.348047094422E+03 0.87197E-02 -0.81191E-03 5390 0.206E-01 0.324E-01 RMM: 4 -0.348047774206E+03 -0.67978E-03 -0.22556E-03 4909 0.114E-01 0.466E-01 RMM: 5 -0.348046651521E+03 0.11227E-02 -0.11326E-03 4605 0.912E-02 0.258E-01 RMM: 6 -0.348046246718E+03 0.40480E-03 -0.37978E-04 4081 0.514E-02 0.927E-02 RMM: 7 -0.348046325960E+03 -0.79242E-04 -0.15553E-04 3874 0.361E-02 0.153E-01 RMM: 8 -0.348046172477E+03 0.15348E-03 -0.76898E-05 3585 0.264E-02 0.392E-02 RMM: 9 -0.348046173610E+03 -0.11335E-05 -0.18941E-05 2562 0.129E-02 5276 T= 6397. E= 0.68646779E+03 F= 0.63354887E+03 E0= 0.66351752E+03 EK= 0.52919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347859299354E+03 0.18687E+00 -0.15824E-01 7872 0.232E+01 0.399E-01 RMM: 2 -0.347873829456E+03 -0.14530E-01 -0.71400E-02 5221 0.606E-01 0.127E+00 RMM: 3 -0.347862742562E+03 0.11087E-01 -0.85094E-03 5386 0.211E-01 0.310E-01 RMM: 4 -0.347863536119E+03 -0.79356E-03 -0.24815E-03 5052 0.121E-01 0.474E-01 RMM: 5 -0.347862341302E+03 0.11948E-02 -0.10948E-03 4605 0.907E-02 0.252E-01 RMM: 6 -0.347861950943E+03 0.39036E-03 -0.30873E-04 3926 0.458E-02 0.913E-02 RMM: 7 -0.347862001406E+03 -0.50463E-04 -0.16662E-04 3879 0.380E-02 0.137E-01 RMM: 8 -0.347861881244E+03 0.12016E-03 -0.66636E-05 3475 0.247E-02 0.382E-02 RMM: 9 -0.347861882682E+03 -0.14386E-05 -0.16621E-05 2530 0.120E-02 5277 T= 6310. E= 0.68551940E+03 F= 0.63332233E+03 E0= 0.66329980E+03 EK= 0.52197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347479649672E+03 0.38223E+00 -0.15574E-01 7968 0.230E+01 0.414E-01 RMM: 2 -0.347492286087E+03 -0.12636E-01 -0.69051E-02 5252 0.601E-01 0.121E+00 RMM: 3 -0.347482644531E+03 0.96416E-02 -0.83755E-03 5374 0.211E-01 0.316E-01 RMM: 4 -0.347483631558E+03 -0.98703E-03 -0.23836E-03 4958 0.117E-01 0.510E-01 RMM: 5 -0.347482145814E+03 0.14857E-02 -0.10984E-03 4605 0.898E-02 0.232E-01 RMM: 6 -0.347481824818E+03 0.32100E-03 -0.31627E-04 3928 0.465E-02 0.914E-02 RMM: 7 -0.347481900071E+03 -0.75254E-04 -0.13682E-04 3870 0.337E-02 0.149E-01 RMM: 8 -0.347481753924E+03 0.14615E-03 -0.69481E-05 3510 0.250E-02 0.378E-02 RMM: 9 -0.347481754569E+03 -0.64429E-06 -0.17312E-05 2542 0.122E-02 5278 T= 6243. E= 0.68493295E+03 F= 0.63328818E+03 E0= 0.66327124E+03 EK= 0.51645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346944479292E+03 0.53727E+00 -0.15992E-01 7992 0.229E+01 0.406E-01 RMM: 2 -0.346957864667E+03 -0.13385E-01 -0.71002E-02 5202 0.598E-01 0.123E+00 RMM: 3 -0.346947654039E+03 0.10211E-01 -0.80860E-03 5391 0.203E-01 0.281E-01 RMM: 4 -0.346949033481E+03 -0.13794E-02 -0.26601E-03 5087 0.127E-01 0.551E-01 RMM: 5 -0.346947247638E+03 0.17858E-02 -0.11298E-03 4608 0.918E-02 0.214E-01 RMM: 6 -0.346946975876E+03 0.27176E-03 -0.26636E-04 3888 0.418E-02 0.882E-02 RMM: 7 -0.346947001523E+03 -0.25647E-04 -0.12757E-04 3870 0.335E-02 0.120E-01 RMM: 8 -0.346946909835E+03 0.91688E-04 -0.47582E-05 3247 0.211E-02 0.357E-02 RMM: 9 -0.346946913834E+03 -0.39986E-05 -0.15330E-05 2522 0.112E-02 5279 T= 6222. E= 0.68488239E+03 F= 0.63340706E+03 E0= 0.66339134E+03 EK= 0.51475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346316872634E+03 0.63004E+00 -0.16166E-01 7944 0.229E+01 0.392E-01 RMM: 2 -0.346325933595E+03 -0.90610E-02 -0.70233E-02 5213 0.593E-01 0.944E-01 RMM: 3 -0.346320220579E+03 0.57130E-02 -0.75386E-03 5427 0.192E-01 0.300E-01 RMM: 4 -0.346321621396E+03 -0.14008E-02 -0.22184E-03 4961 0.116E-01 0.563E-01 RMM: 5 -0.346319645514E+03 0.19759E-02 -0.10687E-03 4600 0.878E-02 0.178E-01 RMM: 6 -0.346319484999E+03 0.16051E-03 -0.26016E-04 3913 0.413E-02 0.997E-02 RMM: 7 -0.346319515540E+03 -0.30541E-04 -0.11575E-04 3865 0.315E-02 0.129E-01 RMM: 8 -0.346319403366E+03 0.11217E-03 -0.54796E-05 3375 0.222E-02 0.325E-02 RMM: 9 -0.346319407627E+03 -0.42605E-05 -0.18189E-05 2549 0.124E-02 5280 T= 6262. E= 0.68541933E+03 F= 0.63361926E+03 E0= 0.66360062E+03 EK= 0.51800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345665146044E+03 0.65426E+00 -0.16530E-01 8100 0.230E+01 0.386E-01 RMM: 2 -0.345674530748E+03 -0.93847E-02 -0.68705E-02 5229 0.591E-01 0.965E-01 RMM: 3 -0.345668454611E+03 0.60761E-02 -0.71506E-03 5452 0.184E-01 0.296E-01 RMM: 4 -0.345669699365E+03 -0.12448E-02 -0.24114E-03 4985 0.122E-01 0.544E-01 RMM: 5 -0.345667884844E+03 0.18145E-02 -0.11430E-03 4600 0.922E-02 0.170E-01 RMM: 6 -0.345667735820E+03 0.14902E-03 -0.21313E-04 3885 0.370E-02 0.965E-02 RMM: 7 -0.345667735972E+03 -0.15233E-06 -0.11097E-04 3839 0.313E-02 5281 T= 6357. E= 0.68644465E+03 F= 0.63385849E+03 E0= 0.66383272E+03 EK= 0.52586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345053534631E+03 0.61420E+00 -0.17266E-01 7980 0.232E+01 0.410E-01 RMM: 2 -0.345060788472E+03 -0.72538E-02 -0.69217E-02 5263 0.595E-01 0.809E-01 RMM: 3 -0.345056845168E+03 0.39433E-02 -0.68951E-03 5431 0.180E-01 0.341E-01 RMM: 4 -0.345058238680E+03 -0.13935E-02 -0.24510E-03 5018 0.124E-01 0.592E-01 RMM: 5 -0.345055988332E+03 0.22503E-02 -0.13303E-03 4611 0.979E-02 0.157E-01 RMM: 6 -0.345055944445E+03 0.43887E-04 -0.30971E-04 3901 0.448E-02 0.146E-01 RMM: 7 -0.345055850552E+03 0.93892E-04 -0.14223E-04 3882 0.372E-02 0.103E-01 RMM: 8 -0.345055787236E+03 0.63316E-04 -0.35475E-05 3053 0.182E-02 0.430E-02 RMM: 9 -0.345055798149E+03 -0.10913E-04 -0.27930E-05 2780 0.149E-02 5282 T= 6485. E= 0.68770740E+03 F= 0.63406229E+03 E0= 0.66402431E+03 EK= 0.53645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344533474301E+03 0.52231E+00 -0.17679E-01 8052 0.235E+01 0.333E-01 RMM: 2 -0.344543087342E+03 -0.96130E-02 -0.65196E-02 5243 0.591E-01 0.965E-01 RMM: 3 -0.344537008284E+03 0.60791E-02 -0.67798E-03 5456 0.180E-01 0.247E-01 RMM: 4 -0.344537723533E+03 -0.71525E-03 -0.17018E-03 4729 0.101E-01 0.428E-01 RMM: 5 -0.344536623924E+03 0.10996E-02 -0.87714E-04 4600 0.815E-02 0.164E-01 RMM: 6 -0.344536480278E+03 0.14365E-03 -0.22542E-04 3890 0.388E-02 0.836E-02 RMM: 7 -0.344536512682E+03 -0.32405E-04 -0.85517E-05 3702 0.276E-02 0.115E-01 RMM: 8 -0.344536426591E+03 0.86092E-04 -0.34567E-05 3069 0.184E-02 0.285E-02 RMM: 9 -0.344536425012E+03 0.15792E-05 -0.89500E-06 2470 0.865E-03 5283 T= 6608. E= 0.68884469E+03 F= 0.63417802E+03 E0= 0.66412252E+03 EK= 0.54667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344136371510E+03 0.40006E+00 -0.18602E-01 8232 0.237E+01 0.378E-01 RMM: 2 -0.344143399069E+03 -0.70276E-02 -0.67880E-02 5221 0.604E-01 0.771E-01 RMM: 3 -0.344139802888E+03 0.35962E-02 -0.66096E-03 5515 0.170E-01 0.296E-01 RMM: 4 -0.344140908147E+03 -0.11053E-02 -0.22531E-03 4969 0.121E-01 0.529E-01 RMM: 5 -0.344139101985E+03 0.18062E-02 -0.11791E-03 4604 0.923E-02 0.147E-01 RMM: 6 -0.344139084213E+03 0.17772E-04 -0.29294E-04 3917 0.439E-02 0.149E-01 RMM: 7 -0.344139010553E+03 0.73660E-04 -0.12865E-04 3839 0.350E-02 0.114E-01 RMM: 8 -0.344138925098E+03 0.85455E-04 -0.43547E-05 3196 0.198E-02 0.359E-02 RMM: 9 -0.344138932877E+03 -0.77786E-05 -0.21802E-05 2605 0.135E-02 5284 T= 6686. E= 0.68948358E+03 F= 0.63417518E+03 E0= 0.66409723E+03 EK= 0.55308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343861918626E+03 0.27701E+00 -0.19606E-01 8028 0.239E+01 0.353E-01 RMM: 2 -0.343872190692E+03 -0.10272E-01 -0.73252E-02 5130 0.635E-01 0.977E-01 RMM: 3 -0.343866070052E+03 0.61206E-02 -0.79037E-03 5488 0.190E-01 0.266E-01 RMM: 4 -0.343866848878E+03 -0.77883E-03 -0.19606E-03 4888 0.110E-01 0.460E-01 RMM: 5 -0.343865570180E+03 0.12787E-02 -0.10888E-03 4608 0.909E-02 0.168E-01 RMM: 6 -0.343865464849E+03 0.10533E-03 -0.25921E-04 3882 0.412E-02 0.120E-01 RMM: 7 -0.343865443271E+03 0.21579E-04 -0.13062E-04 3848 0.345E-02 0.117E-01 RMM: 8 -0.343865354585E+03 0.88686E-04 -0.48229E-05 3263 0.211E-02 0.311E-02 RMM: 9 -0.343865361532E+03 -0.69476E-05 -0.17591E-05 2528 0.123E-02 5285 T= 6688. E= 0.68937727E+03 F= 0.63404951E+03 E0= 0.66394261E+03 EK= 0.55328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343686693933E+03 0.17866E+00 -0.19983E-01 7992 0.240E+01 0.360E-01 RMM: 2 -0.343695878796E+03 -0.91849E-02 -0.73700E-02 5191 0.632E-01 0.887E-01 RMM: 3 -0.343690739718E+03 0.51391E-02 -0.73623E-03 5465 0.179E-01 0.261E-01 RMM: 4 -0.343691638074E+03 -0.89836E-03 -0.22539E-03 4973 0.122E-01 0.481E-01 RMM: 5 -0.343690199985E+03 0.14381E-02 -0.11015E-03 4609 0.895E-02 0.161E-01 RMM: 6 -0.343690142977E+03 0.57008E-04 -0.27270E-04 3901 0.422E-02 0.140E-01 RMM: 7 -0.343690087220E+03 0.55758E-04 -0.12926E-04 3842 0.351E-02 0.117E-01 RMM: 8 -0.343689998115E+03 0.89105E-04 -0.46601E-05 3245 0.205E-02 0.328E-02 RMM: 9 -0.343690006895E+03 -0.87807E-05 -0.17244E-05 2540 0.120E-02 5286 T= 6612. E= 0.68851935E+03 F= 0.63382401E+03 E0= 0.66368217E+03 EK= 0.54695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343565198347E+03 0.12480E+00 -0.19982E-01 8148 0.240E+01 0.358E-01 RMM: 2 -0.343573183308E+03 -0.79850E-02 -0.70761E-02 5230 0.613E-01 0.812E-01 RMM: 3 -0.343568968042E+03 0.42153E-02 -0.69015E-03 5499 0.175E-01 0.273E-01 RMM: 4 -0.343569942450E+03 -0.97441E-03 -0.20767E-03 4877 0.117E-01 0.505E-01 RMM: 5 -0.343568365342E+03 0.15771E-02 -0.10889E-03 4604 0.893E-02 0.149E-01 RMM: 6 -0.343568341892E+03 0.23449E-04 -0.26769E-04 3896 0.416E-02 0.145E-01 RMM: 7 -0.343568275262E+03 0.66631E-04 -0.13421E-04 3846 0.351E-02 0.117E-01 RMM: 8 -0.343568186274E+03 0.88988E-04 -0.47834E-05 3262 0.208E-02 0.334E-02 RMM: 9 -0.343568193518E+03 -0.72441E-05 -0.18408E-05 2540 0.125E-02 5287 T= 6481. E= 0.68715588E+03 F= 0.63354104E+03 E0= 0.66335766E+03 EK= 0.53615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343450705075E+03 0.11748E+00 -0.19772E-01 8196 0.238E+01 0.372E-01 RMM: 2 -0.343459865737E+03 -0.91607E-02 -0.69613E-02 5308 0.604E-01 0.932E-01 RMM: 3 -0.343454116752E+03 0.57490E-02 -0.66373E-03 5434 0.177E-01 0.258E-01 RMM: 4 -0.343455070513E+03 -0.95376E-03 -0.22406E-03 4895 0.120E-01 0.492E-01 RMM: 5 -0.343453608669E+03 0.14618E-02 -0.11239E-03 4604 0.911E-02 0.176E-01 RMM: 6 -0.343453515041E+03 0.93628E-04 -0.28636E-04 3915 0.433E-02 0.139E-01 RMM: 7 -0.343453480506E+03 0.34535E-04 -0.14444E-04 3865 0.364E-02 0.128E-01 RMM: 8 -0.343453372905E+03 0.10760E-03 -0.57063E-05 3369 0.225E-02 0.350E-02 RMM: 9 -0.343453378368E+03 -0.54632E-05 -0.16842E-05 2536 0.119E-02 5288 T= 6339. E= 0.68568342E+03 F= 0.63324586E+03 E0= 0.66301595E+03 EK= 0.52438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343302941985E+03 0.15043E+00 -0.19758E-01 8472 0.237E+01 0.374E-01 RMM: 2 -0.343311910914E+03 -0.89689E-02 -0.77210E-02 5220 0.619E-01 0.848E-01 RMM: 3 -0.343307136485E+03 0.47744E-02 -0.76114E-03 5444 0.186E-01 0.299E-01 RMM: 4 -0.343308116612E+03 -0.98013E-03 -0.22766E-03 4948 0.121E-01 0.519E-01 RMM: 5 -0.343306465529E+03 0.16511E-02 -0.11610E-03 4600 0.922E-02 0.164E-01 RMM: 6 -0.343306393262E+03 0.72267E-04 -0.28004E-04 3922 0.427E-02 0.135E-01 RMM: 7 -0.343306368794E+03 0.24467E-04 -0.13950E-04 3864 0.350E-02 0.132E-01 RMM: 8 -0.343306254532E+03 0.11426E-03 -0.57751E-05 3378 0.227E-02 0.351E-02 RMM: 9 -0.343306259820E+03 -0.52877E-05 -0.18088E-05 2541 0.123E-02 5289 T= 6228. E= 0.68450242E+03 F= 0.63297795E+03 E0= 0.66269743E+03 EK= 0.51524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343096565081E+03 0.20969E+00 -0.19721E-01 8508 0.236E+01 0.377E-01 RMM: 2 -0.343106808015E+03 -0.10243E-01 -0.81932E-02 5193 0.638E-01 0.910E-01 RMM: 3 -0.343101056140E+03 0.57519E-02 -0.80200E-03 5461 0.190E-01 0.263E-01 RMM: 4 -0.343101989731E+03 -0.93359E-03 -0.23458E-03 5021 0.122E-01 0.491E-01 RMM: 5 -0.343100503150E+03 0.14866E-02 -0.11313E-03 4601 0.916E-02 0.171E-01 RMM: 6 -0.343100419523E+03 0.83627E-04 -0.28167E-04 3931 0.431E-02 0.138E-01 RMM: 7 -0.343100383305E+03 0.36218E-04 -0.14107E-04 3872 0.359E-02 0.127E-01 RMM: 8 -0.343100276884E+03 0.10642E-03 -0.54884E-05 3337 0.220E-02 0.340E-02 RMM: 9 -0.343100283307E+03 -0.64227E-05 -0.19004E-05 2548 0.126E-02 5290 T= 6181. E= 0.68389937E+03 F= 0.63276549E+03 E0= 0.66243301E+03 EK= 0.51134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342812653392E+03 0.28762E+00 -0.19603E-01 8520 0.236E+01 0.369E-01 RMM: 2 -0.342821893556E+03 -0.92402E-02 -0.84340E-02 5215 0.634E-01 0.803E-01 RMM: 3 -0.342817453583E+03 0.44400E-02 -0.78774E-03 5501 0.189E-01 0.306E-01 RMM: 4 -0.342818328276E+03 -0.87469E-03 -0.22212E-03 4971 0.119E-01 0.503E-01 RMM: 5 -0.342816746266E+03 0.15820E-02 -0.11410E-03 4602 0.918E-02 0.160E-01 RMM: 6 -0.342816686633E+03 0.59633E-04 -0.26907E-04 3911 0.420E-02 0.138E-01 RMM: 7 -0.342816657397E+03 0.29236E-04 -0.14455E-04 3870 0.357E-02 0.130E-01 RMM: 8 -0.342816546011E+03 0.11139E-03 -0.57317E-05 3371 0.226E-02 0.360E-02 RMM: 9 -0.342816549736E+03 -0.37254E-05 -0.17981E-05 2538 0.123E-02 5291 T= 6208. E= 0.68398984E+03 F= 0.63262992E+03 E0= 0.66224546E+03 EK= 0.51360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342430975164E+03 0.38557E+00 -0.20122E-01 8604 0.237E+01 0.368E-01 RMM: 2 -0.342442475815E+03 -0.11501E-01 -0.92058E-02 5166 0.663E-01 0.916E-01 RMM: 3 -0.342436460381E+03 0.60154E-02 -0.87511E-03 5523 0.194E-01 0.254E-01 RMM: 4 -0.342437436770E+03 -0.97639E-03 -0.22586E-03 5054 0.120E-01 0.494E-01 RMM: 5 -0.342435926537E+03 0.15102E-02 -0.10564E-03 4604 0.884E-02 0.171E-01 RMM: 6 -0.342435838604E+03 0.87933E-04 -0.29178E-04 3923 0.442E-02 0.135E-01 RMM: 7 -0.342435807190E+03 0.31414E-04 -0.14663E-04 3872 0.368E-02 0.127E-01 RMM: 8 -0.342435699663E+03 0.10753E-03 -0.57932E-05 3380 0.226E-02 0.342E-02 RMM: 9 -0.342435705223E+03 -0.55594E-05 -0.18864E-05 2545 0.127E-02 5292 T= 6299. E= 0.68470458E+03 F= 0.63259331E+03 E0= 0.66215931E+03 EK= 0.52111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341929356448E+03 0.50634E+00 -0.20267E-01 8964 0.238E+01 0.353E-01 RMM: 2 -0.341938576081E+03 -0.92196E-02 -0.83471E-02 5394 0.608E-01 0.779E-01 RMM: 3 -0.341934111125E+03 0.44650E-02 -0.65249E-03 5497 0.173E-01 0.287E-01 RMM: 4 -0.341934909421E+03 -0.79830E-03 -0.21015E-03 4884 0.118E-01 0.477E-01 RMM: 5 -0.341933495746E+03 0.14137E-02 -0.10919E-03 4609 0.904E-02 0.159E-01 RMM: 6 -0.341933435039E+03 0.60706E-04 -0.25687E-04 3891 0.409E-02 0.138E-01 RMM: 7 -0.341933367513E+03 0.67526E-04 -0.15162E-04 3876 0.379E-02 0.108E-01 RMM: 8 -0.341933293014E+03 0.74499E-04 -0.44234E-05 3200 0.202E-02 0.355E-02 RMM: 9 -0.341933298603E+03 -0.55895E-05 -0.19075E-05 2539 0.127E-02 5293 T= 6422. E= 0.68580893E+03 F= 0.63268215E+03 E0= 0.66220184E+03 EK= 0.53127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341276196858E+03 0.65710E+00 -0.21081E-01 8808 0.240E+01 0.349E-01 RMM: 2 -0.341286429655E+03 -0.10233E-01 -0.89304E-02 5360 0.629E-01 0.808E-01 RMM: 3 -0.341281468313E+03 0.49613E-02 -0.70248E-03 5516 0.177E-01 0.256E-01 RMM: 4 -0.341282412352E+03 -0.94404E-03 -0.20192E-03 4890 0.115E-01 0.490E-01 RMM: 5 -0.341280936300E+03 0.14761E-02 -0.10435E-03 4603 0.874E-02 0.158E-01 RMM: 6 -0.341280909678E+03 0.26623E-04 -0.28759E-04 3892 0.439E-02 0.149E-01 RMM: 7 -0.341280815601E+03 0.94077E-04 -0.15008E-04 3872 0.389E-02 0.105E-01 RMM: 8 -0.341280744944E+03 0.70657E-04 -0.42968E-05 3183 0.197E-02 0.350E-02 RMM: 9 -0.341280750306E+03 -0.53620E-05 -0.20612E-05 2546 0.134E-02 5294 T= 6532. E= 0.68696661E+03 F= 0.63292584E+03 E0= 0.66240363E+03 EK= 0.54041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340454746581E+03 0.82600E+00 -0.21245E-01 8880 0.240E+01 0.344E-01 RMM: 2 -0.340464076772E+03 -0.93302E-02 -0.87055E-02 5516 0.610E-01 0.733E-01 RMM: 3 -0.340459806966E+03 0.42698E-02 -0.59646E-03 5562 0.164E-01 0.284E-01 RMM: 4 -0.340460541615E+03 -0.73465E-03 -0.20068E-03 4836 0.116E-01 0.464E-01 RMM: 5 -0.340459183057E+03 0.13586E-02 -0.11012E-03 4610 0.912E-02 0.147E-01 RMM: 6 -0.340459152356E+03 0.30701E-04 -0.24440E-04 3885 0.400E-02 0.141E-01 RMM: 7 -0.340459049202E+03 0.10315E-03 -0.15418E-04 3879 0.391E-02 0.882E-02 RMM: 8 -0.340459003030E+03 0.46172E-04 -0.33715E-05 3044 0.179E-02 0.367E-02 RMM: 9 -0.340459009469E+03 -0.64388E-05 -0.19345E-05 2533 0.129E-02 5295 T= 6589. E= 0.68785089E+03 F= 0.63334298E+03 E0= 0.66278367E+03 EK= 0.54508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339460692984E+03 0.99831E+00 -0.20679E-01 8916 0.240E+01 0.353E-01 RMM: 2 -0.339471477534E+03 -0.10785E-01 -0.92627E-02 5508 0.623E-01 0.823E-01 RMM: 3 -0.339466037173E+03 0.54404E-02 -0.65493E-03 5452 0.173E-01 0.277E-01 RMM: 4 -0.339467027721E+03 -0.99055E-03 -0.21454E-03 4882 0.118E-01 0.502E-01 RMM: 5 -0.339465461562E+03 0.15662E-02 -0.11003E-03 4604 0.896E-02 0.153E-01 RMM: 6 -0.339465417269E+03 0.44293E-04 -0.27974E-04 3894 0.433E-02 0.136E-01 RMM: 7 -0.339465352066E+03 0.65203E-04 -0.13785E-04 3872 0.371E-02 0.105E-01 RMM: 8 -0.339465280961E+03 0.71105E-04 -0.38927E-05 3138 0.188E-02 0.357E-02 RMM: 9 -0.339465285287E+03 -0.43263E-05 -0.17622E-05 2525 0.122E-02 5296 T= 6570. E= 0.68828419E+03 F= 0.63393504E+03 E0= 0.66334333E+03 EK= 0.54349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338317331481E+03 0.11479E+01 -0.19502E-01 8808 0.238E+01 0.363E-01 RMM: 2 -0.338326867000E+03 -0.95355E-02 -0.90242E-02 5562 0.613E-01 0.733E-01 RMM: 3 -0.338322399698E+03 0.44673E-02 -0.61864E-03 5469 0.169E-01 0.296E-01 RMM: 4 -0.338323298447E+03 -0.89875E-03 -0.21486E-03 4991 0.119E-01 0.492E-01 RMM: 5 -0.338321752715E+03 0.15457E-02 -0.10282E-03 4608 0.874E-02 0.148E-01 RMM: 6 -0.338321674850E+03 0.77865E-04 -0.20824E-04 3883 0.367E-02 0.114E-01 RMM: 7 -0.338321622583E+03 0.52267E-04 -0.12192E-04 3875 0.343E-02 0.913E-02 RMM: 8 -0.338321571602E+03 0.50981E-04 -0.32477E-05 3026 0.176E-02 0.341E-02 RMM: 9 -0.338321578549E+03 -0.69473E-05 -0.16607E-05 2517 0.117E-02 5297 T= 6484. E= 0.68831890E+03 F= 0.63467848E+03 E0= 0.66405988E+03 EK= 0.53640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337070750208E+03 0.12508E+01 -0.18814E-01 8760 0.235E+01 0.371E-01 RMM: 2 -0.337081171877E+03 -0.10422E-01 -0.90433E-02 5497 0.616E-01 0.835E-01 RMM: 3 -0.337075771893E+03 0.54000E-02 -0.67144E-03 5443 0.176E-01 0.297E-01 RMM: 4 -0.337076944110E+03 -0.11722E-02 -0.22676E-03 4919 0.120E-01 0.536E-01 RMM: 5 -0.337075149344E+03 0.17948E-02 -0.10690E-03 4600 0.877E-02 0.151E-01 RMM: 6 -0.337075062653E+03 0.86691E-04 -0.22467E-04 3894 0.386E-02 0.108E-01 RMM: 7 -0.337075045789E+03 0.16863E-04 -0.10656E-04 3864 0.316E-02 5298 T= 6368. E= 0.68820604E+03 F= 0.63552524E+03 E0= 0.66488489E+03 EK= 0.52681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335784516474E+03 0.12905E+01 -0.18441E-01 8640 0.232E+01 0.427E-01 RMM: 2 -0.335793117591E+03 -0.86011E-02 -0.87119E-02 5461 0.623E-01 0.764E-01 RMM: 3 -0.335789038377E+03 0.40792E-02 -0.73917E-03 5438 0.183E-01 0.370E-01 RMM: 4 -0.335790417889E+03 -0.13795E-02 -0.25061E-03 5038 0.126E-01 0.610E-01 RMM: 5 -0.335787966084E+03 0.24518E-02 -0.13282E-03 4608 0.981E-02 0.135E-01 RMM: 6 -0.335787959398E+03 0.66859E-05 -0.24788E-04 3900 0.400E-02 0.144E-01 RMM: 7 -0.335787893023E+03 0.66375E-04 -0.13495E-04 3881 0.346E-02 0.117E-01 RMM: 8 -0.335787804547E+03 0.88476E-04 -0.47627E-05 3265 0.207E-02 0.379E-02 RMM: 9 -0.335787815453E+03 -0.10906E-04 -0.24559E-05 2658 0.141E-02 5299 T= 6269. E= 0.68827304E+03 F= 0.63641332E+03 E0= 0.66575860E+03 EK= 0.51860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334518950579E+03 0.12689E+01 -0.17936E-01 8556 0.230E+01 0.337E-01 RMM: 2 -0.334529203801E+03 -0.10253E-01 -0.82535E-02 5373 0.618E-01 0.863E-01 RMM: 3 -0.334523825345E+03 0.53785E-02 -0.68216E-03 5487 0.176E-01 0.259E-01 RMM: 4 -0.334524818536E+03 -0.99319E-03 -0.19197E-03 4863 0.109E-01 0.478E-01 RMM: 5 -0.334523374125E+03 0.14444E-02 -0.82556E-04 4603 0.770E-02 0.138E-01 RMM: 6 -0.334523274023E+03 0.10010E-03 -0.17473E-04 3889 0.342E-02 0.763E-02 RMM: 7 -0.334523296846E+03 -0.22823E-04 -0.63804E-05 3509 0.238E-02 0.102E-01 RMM: 8 -0.334523226457E+03 0.70389E-04 -0.26998E-05 2871 0.166E-02 0.232E-02 RMM: 9 -0.334523227852E+03 -0.13954E-05 -0.89799E-06 2469 0.833E-03 5300 T= 6226. E= 0.68878793E+03 F= 0.63728068E+03 E0= 0.66661854E+03 EK= 0.51507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333330770130E+03 0.11925E+01 -0.16760E-01 8304 0.229E+01 0.390E-01 RMM: 2 -0.333338859823E+03 -0.80897E-02 -0.72677E-02 5430 0.587E-01 0.815E-01 RMM: 3 -0.333334332495E+03 0.45273E-02 -0.63748E-03 5447 0.173E-01 0.305E-01 RMM: 4 -0.333335526393E+03 -0.11939E-02 -0.21880E-03 4912 0.119E-01 0.538E-01 RMM: 5 -0.333333653186E+03 0.18732E-02 -0.98075E-04 4604 0.840E-02 0.142E-01 RMM: 6 -0.333333577097E+03 0.76089E-04 -0.19852E-04 3885 0.358E-02 0.108E-01 RMM: 7 -0.333333573427E+03 0.36698E-05 -0.11244E-04 3861 0.312E-02 5301 T= 6260. E= 0.68986653E+03 F= 0.63807705E+03 E0= 0.66741569E+03 EK= 0.51789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332250365793E+03 0.10832E+01 -0.16265E-01 8136 0.231E+01 0.400E-01 RMM: 2 -0.332259340349E+03 -0.89746E-02 -0.69861E-02 5321 0.594E-01 0.928E-01 RMM: 3 -0.332253803452E+03 0.55369E-02 -0.69620E-03 5416 0.183E-01 0.309E-01 RMM: 4 -0.332255063537E+03 -0.12601E-02 -0.23841E-03 5043 0.122E-01 0.550E-01 RMM: 5 -0.332253145365E+03 0.19182E-02 -0.11738E-03 4609 0.933E-02 0.169E-01 RMM: 6 -0.332253022538E+03 0.12283E-03 -0.24042E-04 3905 0.397E-02 0.117E-01 RMM: 7 -0.332253020523E+03 0.20155E-05 -0.15242E-04 3877 0.370E-02 5302 T= 6365. E= 0.69143002E+03 F= 0.63877028E+03 E0= 0.66811771E+03 EK= 0.52660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331290876006E+03 0.96215E+00 -0.16537E-01 8136 0.233E+01 0.360E-01 RMM: 2 -0.331300266612E+03 -0.93906E-02 -0.65540E-02 5293 0.590E-01 0.954E-01 RMM: 3 -0.331294306521E+03 0.59601E-02 -0.69826E-03 5408 0.186E-01 0.266E-01 RMM: 4 -0.331295284541E+03 -0.97802E-03 -0.19372E-03 4858 0.110E-01 0.480E-01 RMM: 5 -0.331293955516E+03 0.13290E-02 -0.92451E-04 4608 0.830E-02 0.204E-01 RMM: 6 -0.331293707643E+03 0.24787E-03 -0.30169E-04 3911 0.452E-02 0.902E-02 RMM: 7 -0.331293755916E+03 -0.48273E-04 -0.13797E-04 3851 0.356E-02 0.133E-01 RMM: 8 -0.331293639796E+03 0.11612E-03 -0.48010E-05 3252 0.216E-02 0.383E-02 RMM: 9 -0.331293639775E+03 0.20515E-07 -0.18044E-05 2536 0.124E-02 5303 T= 6510. E= 0.69320450E+03 F= 0.63934952E+03 E0= 0.66871325E+03 EK= 0.53855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330440661416E+03 0.85298E+00 -0.17034E-01 8124 0.236E+01 0.301E-01 RMM: 2 -0.330450753031E+03 -0.10092E-01 -0.65492E-02 5223 0.590E-01 0.959E-01 RMM: 3 -0.330444646839E+03 0.61062E-02 -0.65554E-03 5421 0.175E-01 0.191E-01 RMM: 4 -0.330445490259E+03 -0.84342E-03 -0.14737E-03 4728 0.964E-02 0.425E-01 RMM: 5 -0.330444371980E+03 0.11183E-02 -0.73527E-04 4607 0.752E-02 0.136E-01 RMM: 6 -0.330444312545E+03 0.59435E-04 -0.20755E-04 3882 0.370E-02 0.108E-01 RMM: 7 -0.330444287908E+03 0.24637E-04 -0.10524E-04 3830 0.318E-02 0.983E-02 RMM: 8 -0.330444223935E+03 0.63973E-04 -0.36069E-05 3086 0.186E-02 0.256E-02 RMM: 9 -0.330444225458E+03 -0.15229E-05 -0.86043E-06 2470 0.878E-03 5304 T= 6643. E= 0.69477987E+03 F= 0.63982584E+03 E0= 0.66921211E+03 EK= 0.54954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329676014265E+03 0.76821E+00 -0.17538E-01 8052 0.239E+01 0.341E-01 RMM: 2 -0.329684564678E+03 -0.85504E-02 -0.71137E-02 5178 0.631E-01 0.813E-01 RMM: 3 -0.329680295040E+03 0.42696E-02 -0.76455E-03 5507 0.182E-01 0.258E-01 RMM: 4 -0.329681032305E+03 -0.73727E-03 -0.19736E-03 4895 0.114E-01 0.452E-01 RMM: 5 -0.329679770065E+03 0.12622E-02 -0.10826E-03 4609 0.904E-02 0.154E-01 RMM: 6 -0.329679738715E+03 0.31350E-04 -0.23972E-04 3880 0.399E-02 0.148E-01 RMM: 7 -0.329679631430E+03 0.10729E-03 -0.17102E-04 3878 0.414E-02 0.936E-02 RMM: 8 -0.329679577652E+03 0.53778E-04 -0.41174E-05 3148 0.197E-02 0.381E-02 RMM: 9 -0.329679583014E+03 -0.53625E-05 -0.20612E-05 2550 0.136E-02 5305 T= 6712. E= 0.69574532E+03 F= 0.64022295E+03 E0= 0.66963568E+03 EK= 0.55522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328969595783E+03 0.70998E+00 -0.17441E-01 8124 0.241E+01 0.315E-01 RMM: 2 -0.328978852411E+03 -0.92566E-02 -0.66597E-02 5240 0.614E-01 0.901E-01 RMM: 3 -0.328973577126E+03 0.52753E-02 -0.65632E-03 5493 0.172E-01 0.219E-01 RMM: 4 -0.328974180268E+03 -0.60314E-03 -0.15139E-03 4728 0.990E-02 0.400E-01 RMM: 5 -0.328973197156E+03 0.98311E-03 -0.90915E-04 4606 0.838E-02 0.150E-01 RMM: 6 -0.328973153297E+03 0.43859E-04 -0.25435E-04 3893 0.413E-02 0.136E-01 RMM: 7 -0.328973090429E+03 0.62868E-04 -0.14008E-04 3855 0.376E-02 0.108E-01 RMM: 8 -0.328973015998E+03 0.74431E-04 -0.40235E-05 3146 0.194E-02 0.346E-02 RMM: 9 -0.328973019175E+03 -0.31770E-05 -0.14920E-05 2514 0.115E-02 5306 T= 6686. E= 0.69587388E+03 F= 0.64056515E+03 E0= 0.67000408E+03 EK= 0.55309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328304544270E+03 0.66847E+00 -0.17606E-01 8040 0.242E+01 0.326E-01 RMM: 2 -0.328311460861E+03 -0.69166E-02 -0.64209E-02 5259 0.587E-01 0.696E-01 RMM: 3 -0.328308227047E+03 0.32338E-02 -0.58414E-03 5462 0.163E-01 0.264E-01 RMM: 4 -0.328308974692E+03 -0.74765E-03 -0.17580E-03 4785 0.108E-01 0.448E-01 RMM: 5 -0.328307734907E+03 0.12398E-02 -0.87898E-04 4608 0.805E-02 0.158E-01 RMM: 6 -0.328307654757E+03 0.80150E-04 -0.24189E-04 3887 0.401E-02 0.123E-01 RMM: 7 -0.328307625095E+03 0.29662E-04 -0.12464E-04 3854 0.346E-02 0.114E-01 RMM: 8 -0.328307539826E+03 0.85268E-04 -0.41259E-05 3169 0.198E-02 0.322E-02 RMM: 9 -0.328307544694E+03 -0.48682E-05 -0.15992E-05 2523 0.117E-02 5307 T= 6573. E= 0.69524544E+03 F= 0.64086683E+03 E0= 0.67032918E+03 EK= 0.54379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327680488077E+03 0.62705E+00 -0.17727E-01 8232 0.240E+01 0.343E-01 RMM: 2 -0.327690109173E+03 -0.96211E-02 -0.64477E-02 5290 0.596E-01 0.972E-01 RMM: 3 -0.327683894815E+03 0.62144E-02 -0.63228E-03 5414 0.174E-01 0.231E-01 RMM: 4 -0.327684782005E+03 -0.88719E-03 -0.17857E-03 4787 0.107E-01 0.451E-01 RMM: 5 -0.327683540750E+03 0.12413E-02 -0.84749E-04 4606 0.795E-02 0.175E-01 RMM: 6 -0.327683401744E+03 0.13901E-03 -0.24140E-04 3890 0.398E-02 0.112E-01 RMM: 7 -0.327683397210E+03 0.45338E-05 -0.12520E-04 3849 0.340E-02 5308 T= 6417. E= 0.69421049E+03 F= 0.64112586E+03 E0= 0.67060565E+03 EK= 0.53085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327116026095E+03 0.56738E+00 -0.17773E-01 8268 0.239E+01 0.393E-01 RMM: 2 -0.327124105002E+03 -0.80789E-02 -0.65212E-02 5320 0.597E-01 0.881E-01 RMM: 3 -0.327119183546E+03 0.49215E-02 -0.65460E-03 5383 0.180E-01 0.322E-01 RMM: 4 -0.327120242865E+03 -0.10593E-02 -0.22998E-03 5024 0.120E-01 0.532E-01 RMM: 5 -0.327118437494E+03 0.18054E-02 -0.11941E-03 4615 0.941E-02 0.165E-01 RMM: 6 -0.327118371088E+03 0.66406E-04 -0.25301E-04 3886 0.406E-02 0.139E-01 RMM: 7 -0.327118320290E+03 0.50798E-04 -0.13769E-04 3874 0.352E-02 0.123E-01 RMM: 8 -0.327118223698E+03 0.96592E-04 -0.56677E-05 3361 0.224E-02 0.389E-02 RMM: 9 -0.327118235572E+03 -0.11874E-04 -0.21345E-05 2566 0.131E-02 5309 T= 6274. E= 0.69322863E+03 F= 0.64132401E+03 E0= 0.67081203E+03 EK= 0.51905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326641097245E+03 0.47713E+00 -0.17657E-01 8136 0.238E+01 0.331E-01 RMM: 2 -0.326651909766E+03 -0.10813E-01 -0.71914E-02 5227 0.627E-01 0.994E-01 RMM: 3 -0.326645298066E+03 0.66117E-02 -0.74224E-03 5409 0.189E-01 0.244E-01 RMM: 4 -0.326645873866E+03 -0.57580E-03 -0.16015E-03 4720 0.973E-02 0.398E-01 RMM: 5 -0.326645012768E+03 0.86110E-03 -0.69436E-04 4605 0.711E-02 0.199E-01 RMM: 6 -0.326644766185E+03 0.24658E-03 -0.24092E-04 3893 0.406E-02 0.727E-02 RMM: 7 -0.326644831633E+03 -0.65448E-04 -0.91161E-05 3674 0.274E-02 0.127E-01 RMM: 8 -0.326644723953E+03 0.10768E-03 -0.41494E-05 3181 0.200E-02 0.264E-02 RMM: 9 -0.326644722686E+03 0.12665E-05 -0.80880E-06 2471 0.802E-03 5310 T= 6196. E= 0.69268596E+03 F= 0.64142945E+03 E0= 0.67091559E+03 EK= 0.51257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326298403518E+03 0.34632E+00 -0.17559E-01 7836 0.238E+01 0.375E-01 RMM: 2 -0.326307713083E+03 -0.93096E-02 -0.71521E-02 5253 0.617E-01 0.918E-01 RMM: 3 -0.326302179080E+03 0.55340E-02 -0.70865E-03 5409 0.184E-01 0.291E-01 RMM: 4 -0.326303133271E+03 -0.95419E-03 -0.21614E-03 4961 0.116E-01 0.500E-01 RMM: 5 -0.326301613162E+03 0.15201E-02 -0.10705E-03 4612 0.887E-02 0.188E-01 RMM: 6 -0.326301452790E+03 0.16037E-03 -0.27201E-04 3894 0.426E-02 0.113E-01 RMM: 7 -0.326301481196E+03 -0.28406E-04 -0.12333E-04 3867 0.321E-02 0.140E-01 RMM: 8 -0.326301352587E+03 0.12861E-03 -0.58102E-05 3394 0.228E-02 0.377E-02 RMM: 9 -0.326301353416E+03 -0.82905E-06 -0.17440E-05 2532 0.120E-02 5311 T= 6210. E= 0.69277986E+03 F= 0.64140565E+03 E0= 0.67087868E+03 EK= 0.51374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326118186986E+03 0.18317E+00 -0.17796E-01 7896 0.239E+01 0.368E-01 RMM: 2 -0.326132115402E+03 -0.13928E-01 -0.71170E-02 5292 0.630E-01 0.123E+00 RMM: 3 -0.326121987477E+03 0.10128E-01 -0.80745E-03 5386 0.204E-01 0.271E-01 RMM: 4 -0.326122436020E+03 -0.44854E-03 -0.18787E-03 4734 0.105E-01 0.397E-01 RMM: 5 -0.326121679684E+03 0.75634E-03 -0.83321E-04 4616 0.782E-02 0.241E-01 RMM: 6 -0.326121331877E+03 0.34781E-03 -0.30691E-04 3921 0.457E-02 0.963E-02 RMM: 7 -0.326121406400E+03 -0.74523E-04 -0.15289E-04 3882 0.352E-02 0.147E-01 RMM: 8 -0.326121261910E+03 0.14449E-03 -0.67796E-05 3491 0.248E-02 0.393E-02 RMM: 9 -0.326121257765E+03 0.41456E-05 -0.13351E-05 2519 0.106E-02 5312 T= 6316. E= 0.69347409E+03 F= 0.64122173E+03 E0= 0.67067033E+03 EK= 0.52252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326120470042E+03 0.79187E-03 -0.18335E-01 7908 0.242E+01 0.354E-01 RMM: 2 -0.326133391961E+03 -0.12922E-01 -0.75880E-02 5238 0.645E-01 0.112E+00 RMM: 3 -0.326124960762E+03 0.84312E-02 -0.82382E-03 5412 0.200E-01 0.273E-01 RMM: 4 -0.326125434309E+03 -0.47355E-03 -0.18606E-03 4807 0.105E-01 0.405E-01 RMM: 5 -0.326124583123E+03 0.85119E-03 -0.92786E-04 4614 0.833E-02 0.227E-01 RMM: 6 -0.326124297410E+03 0.28571E-03 -0.29900E-04 3900 0.448E-02 0.101E-01 RMM: 7 -0.326124366226E+03 -0.68816E-04 -0.15315E-04 3884 0.352E-02 0.150E-01 RMM: 8 -0.326124218811E+03 0.14741E-03 -0.70087E-05 3495 0.251E-02 0.409E-02 RMM: 9 -0.326124214199E+03 0.46120E-05 -0.15031E-05 2525 0.114E-02 5313 T= 6483. E= 0.69449364E+03 F= 0.64085950E+03 E0= 0.67027310E+03 EK= 0.53634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326304195902E+03 -0.17998E+00 -0.19278E-01 8112 0.245E+01 0.362E-01 RMM: 2 -0.326320445368E+03 -0.16249E-01 -0.85533E-02 5179 0.699E-01 0.127E+00 RMM: 3 -0.326309563701E+03 0.10882E-01 -0.10081E-02 5414 0.224E-01 0.280E-01 RMM: 4 -0.326309654933E+03 -0.91232E-04 -0.18039E-03 4787 0.101E-01 0.339E-01 RMM: 5 -0.326309193119E+03 0.46181E-03 -0.90406E-04 4616 0.831E-02 0.247E-01 RMM: 6 -0.326308846026E+03 0.34709E-03 -0.31778E-04 3926 0.466E-02 0.107E-01 RMM: 7 -0.326308901056E+03 -0.55030E-04 -0.17720E-04 3886 0.386E-02 0.145E-01 RMM: 8 -0.326308760931E+03 0.14012E-03 -0.74508E-05 3515 0.258E-02 0.415E-02 RMM: 9 -0.326308755940E+03 0.49912E-05 -0.14885E-05 2526 0.113E-02 5314 T= 6655. E= 0.69537191E+03 F= 0.64032067E+03 E0= 0.66969034E+03 EK= 0.55051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326638886314E+03 -0.33013E+00 -0.20168E-01 8064 0.247E+01 0.337E-01 RMM: 2 -0.326652426044E+03 -0.13540E-01 -0.89681E-02 5120 0.704E-01 0.106E+00 RMM: 3 -0.326644867004E+03 0.75590E-02 -0.95636E-03 5474 0.212E-01 0.271E-01 RMM: 4 -0.326645025852E+03 -0.15885E-03 -0.16538E-03 4839 0.985E-02 0.345E-01 RMM: 5 -0.326644446243E+03 0.57961E-03 -0.95344E-04 4608 0.856E-02 0.219E-01 RMM: 6 -0.326644199631E+03 0.24661E-03 -0.29427E-04 3906 0.445E-02 0.112E-01 RMM: 7 -0.326644241717E+03 -0.42086E-04 -0.16484E-04 3881 0.375E-02 0.145E-01 RMM: 8 -0.326644104667E+03 0.13705E-03 -0.69728E-05 3482 0.250E-02 0.407E-02 RMM: 9 -0.326644100934E+03 0.37329E-05 -0.15075E-05 2527 0.115E-02 5315 T= 6764. E= 0.69559016E+03 F= 0.63963466E+03 E0= 0.66895359E+03 EK= 0.55955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327067565821E+03 -0.42346E+00 -0.19752E-01 8244 0.247E+01 0.345E-01 RMM: 2 -0.327081620914E+03 -0.14055E-01 -0.83670E-02 5205 0.676E-01 0.113E+00 RMM: 3 -0.327072889272E+03 0.87316E-02 -0.89523E-03 5422 0.210E-01 0.263E-01 RMM: 4 -0.327073064143E+03 -0.17487E-03 -0.16527E-03 4765 0.979E-02 0.343E-01 RMM: 5 -0.327072543509E+03 0.52063E-03 -0.92760E-04 4609 0.847E-02 0.236E-01 RMM: 6 -0.327072246974E+03 0.29653E-03 -0.32303E-04 3981 0.468E-02 0.113E-01 RMM: 7 -0.327072287341E+03 -0.40367E-04 -0.16236E-04 3878 0.380E-02 0.142E-01 RMM: 8 -0.327072151877E+03 0.13546E-03 -0.66033E-05 3463 0.245E-02 0.389E-02 RMM: 9 -0.327072149605E+03 0.22717E-05 -0.16596E-05 2537 0.121E-02 5316 T= 6763. E= 0.69480138E+03 F= 0.63885694E+03 E0= 0.66812139E+03 EK= 0.55944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327517108706E+03 -0.44496E+00 -0.20077E-01 8244 0.246E+01 0.358E-01 RMM: 2 -0.327533788832E+03 -0.16680E-01 -0.87486E-02 5125 0.696E-01 0.128E+00 RMM: 3 -0.327522633183E+03 0.11156E-01 -0.96939E-03 5413 0.220E-01 0.272E-01 RMM: 4 -0.327522884330E+03 -0.25115E-03 -0.18884E-03 4891 0.105E-01 0.364E-01 RMM: 5 -0.327522255375E+03 0.62895E-03 -0.97980E-04 4608 0.866E-02 0.228E-01 RMM: 6 -0.327521956669E+03 0.29871E-03 -0.30777E-04 3912 0.456E-02 0.102E-01 RMM: 7 -0.327522001049E+03 -0.44380E-04 -0.15236E-04 3887 0.367E-02 0.140E-01 RMM: 8 -0.327521874810E+03 0.12624E-03 -0.59815E-05 3392 0.232E-02 0.389E-02 RMM: 9 -0.327521873735E+03 0.10748E-05 -0.15082E-05 2519 0.115E-02 5317 T= 6645. E= 0.69302524E+03 F= 0.63805541E+03 E0= 0.66726405E+03 EK= 0.54970E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327924167417E+03 -0.40229E+00 -0.20390E-01 7920 0.243E+01 0.362E-01 RMM: 2 -0.327937875473E+03 -0.13708E-01 -0.80570E-02 5193 0.661E-01 0.114E+00 RMM: 3 -0.327929020063E+03 0.88554E-02 -0.88113E-03 5413 0.210E-01 0.275E-01 RMM: 4 -0.327929530784E+03 -0.51072E-03 -0.19048E-03 4876 0.106E-01 0.416E-01 RMM: 5 -0.327928647621E+03 0.88316E-03 -0.94352E-04 4608 0.838E-02 0.233E-01 RMM: 6 -0.327928345254E+03 0.30237E-03 -0.33699E-04 3980 0.479E-02 0.104E-01 RMM: 7 -0.327928393865E+03 -0.48611E-04 -0.13504E-04 3871 0.344E-02 0.140E-01 RMM: 8 -0.327928260571E+03 0.13329E-03 -0.60399E-05 3411 0.235E-02 0.361E-02 RMM: 9 -0.327928262089E+03 -0.15181E-05 -0.18237E-05 2544 0.126E-02 5318 T= 6451. E= 0.69066147E+03 F= 0.63729246E+03 E0= 0.66644670E+03 EK= 0.53369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328243434777E+03 -0.31517E+00 -0.19591E-01 7944 0.239E+01 0.373E-01 RMM: 2 -0.328257766826E+03 -0.14332E-01 -0.76392E-02 5265 0.639E-01 0.122E+00 RMM: 3 -0.328247607523E+03 0.10159E-01 -0.82312E-03 5411 0.205E-01 0.266E-01 RMM: 4 -0.328248337771E+03 -0.73025E-03 -0.21326E-03 5035 0.113E-01 0.446E-01 RMM: 5 -0.328247212969E+03 0.11248E-02 -0.95359E-04 4606 0.848E-02 0.207E-01 RMM: 6 -0.328246976119E+03 0.23685E-03 -0.25497E-04 3892 0.414E-02 0.985E-02 RMM: 7 -0.328246987016E+03 -0.10897E-04 -0.11052E-04 3851 0.318E-02 5319 T= 6249. E= 0.68830428E+03 F= 0.63661124E+03 E0= 0.66571315E+03 EK= 0.51693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328453048962E+03 -0.20607E+00 -0.19012E-01 7776 0.235E+01 0.384E-01 RMM: 2 -0.328461728321E+03 -0.86794E-02 -0.75043E-02 5255 0.622E-01 0.814E-01 RMM: 3 -0.328457162937E+03 0.45654E-02 -0.69667E-03 5462 0.180E-01 0.293E-01 RMM: 4 -0.328458290665E+03 -0.11277E-02 -0.22638E-03 5095 0.121E-01 0.531E-01 RMM: 5 -0.328456527025E+03 0.17636E-02 -0.11027E-03 4608 0.900E-02 0.169E-01 RMM: 6 -0.328456461064E+03 0.65961E-04 -0.29134E-04 3906 0.436E-02 0.145E-01 RMM: 7 -0.328456367744E+03 0.93320E-04 -0.13273E-04 3868 0.362E-02 0.101E-01 RMM: 8 -0.328456304669E+03 0.63075E-04 -0.43974E-05 3197 0.199E-02 0.391E-02 RMM: 9 -0.328456319708E+03 -0.15039E-04 -0.22529E-05 2596 0.137E-02 5320 T= 6101. E= 0.68650489E+03 F= 0.63603420E+03 E0= 0.66508818E+03 EK= 0.50471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328546346982E+03 -0.90042E-01 -0.19216E-01 7824 0.233E+01 0.341E-01 RMM: 2 -0.328559044188E+03 -0.12697E-01 -0.82592E-02 5107 0.665E-01 0.105E+00 RMM: 3 -0.328551439170E+03 0.76050E-02 -0.89503E-03 5474 0.204E-01 0.217E-01 RMM: 4 -0.328552439311E+03 -0.10001E-02 -0.17087E-03 4916 0.102E-01 0.462E-01 RMM: 5 -0.328551091095E+03 0.13482E-02 -0.72931E-04 4592 0.732E-02 0.149E-01 RMM: 6 -0.328550989646E+03 0.10145E-03 -0.22055E-04 3892 0.383E-02 0.945E-02 RMM: 7 -0.328551009843E+03 -0.20197E-04 -0.80633E-05 3605 0.267E-02 0.115E-01 RMM: 8 -0.328550920892E+03 0.88951E-04 -0.37269E-05 3122 0.189E-02 0.220E-02 RMM: 9 -0.328550925272E+03 -0.43800E-05 -0.96356E-06 2477 0.885E-03 5321 T= 6050. E= 0.68561847E+03 F= 0.63556914E+03 E0= 0.66457837E+03 EK= 0.50049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328526101644E+03 0.24819E-01 -0.19014E-01 7776 0.233E+01 0.352E-01 RMM: 2 -0.328533229030E+03 -0.71274E-02 -0.72019E-02 5293 0.606E-01 0.658E-01 RMM: 3 -0.328530274056E+03 0.29550E-02 -0.60666E-03 5484 0.168E-01 0.298E-01 RMM: 4 -0.328531048907E+03 -0.77485E-03 -0.19307E-03 4920 0.112E-01 0.480E-01 RMM: 5 -0.328529569403E+03 0.14795E-02 -0.10180E-03 4608 0.864E-02 0.133E-01 RMM: 6 -0.328529578677E+03 -0.92740E-05 -0.22619E-04 3888 0.386E-02 0.146E-01 RMM: 7 -0.328529479665E+03 0.99012E-04 -0.10849E-04 3821 0.323E-02 0.961E-02 RMM: 8 -0.328529421307E+03 0.58357E-04 -0.39659E-05 3160 0.188E-02 0.350E-02 RMM: 9 -0.328529430281E+03 -0.89734E-05 -0.17450E-05 2533 0.119E-02 5322 T= 6109. E= 0.68575521E+03 F= 0.63522096E+03 E0= 0.66418997E+03 EK= 0.50534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328387993169E+03 0.14143E+00 -0.19155E-01 7860 0.235E+01 0.330E-01 RMM: 2 -0.328397819146E+03 -0.98260E-02 -0.84240E-02 5160 0.668E-01 0.784E-01 RMM: 3 -0.328393431703E+03 0.43874E-02 -0.81451E-03 5639 0.187E-01 0.232E-01 RMM: 4 -0.328394217162E+03 -0.78546E-03 -0.16583E-03 4908 0.105E-01 0.446E-01 RMM: 5 -0.328392969482E+03 0.12477E-02 -0.79857E-04 4606 0.765E-02 0.146E-01 RMM: 6 -0.328392932392E+03 0.37089E-04 -0.24597E-04 3887 0.403E-02 0.133E-01 RMM: 7 -0.328392880637E+03 0.51755E-04 -0.10592E-04 3829 0.319E-02 0.110E-01 RMM: 8 -0.328392801505E+03 0.79132E-04 -0.38522E-05 3123 0.188E-02 0.298E-02 RMM: 9 -0.328392809616E+03 -0.81110E-05 -0.16297E-05 2524 0.117E-02 5323 T= 6259. E= 0.68677349E+03 F= 0.63499214E+03 E0= 0.66392529E+03 EK= 0.51781E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328134321626E+03 0.25848E+00 -0.19192E-01 8172 0.237E+01 0.318E-01 RMM: 2 -0.328143262293E+03 -0.89407E-02 -0.84565E-02 5274 0.659E-01 0.668E-01 RMM: 3 -0.328139849722E+03 0.34126E-02 -0.70300E-03 5580 0.173E-01 0.239E-01 RMM: 4 -0.328140455760E+03 -0.60604E-03 -0.16577E-03 4828 0.106E-01 0.419E-01 RMM: 5 -0.328139349004E+03 0.11068E-02 -0.83401E-04 4608 0.783E-02 0.140E-01 RMM: 6 -0.328139347750E+03 0.12535E-05 -0.24942E-04 3888 0.406E-02 0.146E-01 RMM: 7 -0.328139265776E+03 0.81974E-04 -0.11403E-04 3815 0.336E-02 0.104E-01 RMM: 8 -0.328139195443E+03 0.70333E-04 -0.35748E-05 3068 0.182E-02 0.324E-02 RMM: 9 -0.328139201529E+03 -0.60859E-05 -0.16185E-05 2514 0.116E-02 5324 T= 6456. E= 0.68829843E+03 F= 0.63488689E+03 E0= 0.66379024E+03 EK= 0.53412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327764381384E+03 0.37481E+00 -0.19518E-01 8544 0.240E+01 0.319E-01 RMM: 2 -0.327775073490E+03 -0.10692E-01 -0.90257E-02 5311 0.674E-01 0.790E-01 RMM: 3 -0.327770229213E+03 0.48443E-02 -0.73646E-03 5518 0.184E-01 0.236E-01 RMM: 4 -0.327770861979E+03 -0.63277E-03 -0.16260E-03 4835 0.103E-01 0.413E-01 RMM: 5 -0.327769849447E+03 0.10125E-02 -0.79348E-04 4601 0.769E-02 0.171E-01 RMM: 6 -0.327769731145E+03 0.11830E-03 -0.24670E-04 3900 0.405E-02 0.118E-01 RMM: 7 -0.327769712610E+03 0.18535E-04 -0.12995E-04 3863 0.347E-02 5325 T= 6634. E= 0.68978860E+03 F= 0.63490469E+03 E0= 0.66378499E+03 EK= 0.54884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327290370014E+03 0.47936E+00 -0.20889E-01 8472 0.242E+01 0.355E-01 RMM: 2 -0.327301063753E+03 -0.10694E-01 -0.10662E-01 5307 0.721E-01 0.671E-01 RMM: 3 -0.327297383135E+03 0.36806E-02 -0.87566E-03 5503 0.200E-01 0.290E-01 RMM: 4 -0.327298170823E+03 -0.78769E-03 -0.19072E-03 4967 0.111E-01 0.482E-01 RMM: 5 -0.327296687119E+03 0.14837E-02 -0.10732E-03 4606 0.890E-02 0.140E-01 RMM: 6 -0.327296742780E+03 -0.55660E-04 -0.28399E-04 3906 0.436E-02 0.175E-01 RMM: 7 -0.327296608336E+03 0.13444E-03 -0.15429E-04 3870 0.387E-02 0.115E-01 RMM: 8 -0.327296525790E+03 0.82547E-04 -0.52214E-05 3311 0.215E-02 0.408E-02 RMM: 9 -0.327296535126E+03 -0.93361E-05 -0.26097E-05 2740 0.149E-02 5326 T= 6729. E= 0.69070159E+03 F= 0.63503216E+03 E0= 0.66389756E+03 EK= 0.55669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326740704531E+03 0.55582E+00 -0.21108E-01 8676 0.242E+01 0.282E-01 RMM: 2 -0.326753178346E+03 -0.12474E-01 -0.10994E-01 5255 0.723E-01 0.735E-01 RMM: 3 -0.326748390171E+03 0.47882E-02 -0.88080E-03 5502 0.200E-01 0.200E-01 RMM: 4 -0.326748938817E+03 -0.54865E-03 -0.14147E-03 4909 0.946E-02 0.372E-01 RMM: 5 -0.326748100387E+03 0.83843E-03 -0.61231E-04 4575 0.674E-02 0.141E-01 RMM: 6 -0.326748016518E+03 0.83870E-04 -0.18436E-04 3888 0.354E-02 0.928E-02 RMM: 7 -0.326748035880E+03 -0.19362E-04 -0.80697E-05 3627 0.268E-02 5327 T= 6707. E= 0.69072622E+03 F= 0.63523856E+03 E0= 0.66409725E+03 EK= 0.55488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326166323103E+03 0.58169E+00 -0.21529E-01 8820 0.241E+01 0.387E-01 RMM: 2 -0.326177598667E+03 -0.11276E-01 -0.11557E-01 5436 0.736E-01 0.694E-01 RMM: 3 -0.326173506486E+03 0.40922E-02 -0.86307E-03 5618 0.200E-01 0.298E-01 RMM: 4 -0.326174455232E+03 -0.94875E-03 -0.21436E-03 5106 0.118E-01 0.509E-01 RMM: 5 -0.326172757220E+03 0.16980E-02 -0.10505E-03 4612 0.871E-02 0.141E-01 RMM: 6 -0.326172785253E+03 -0.28033E-04 -0.25716E-04 3895 0.412E-02 0.163E-01 RMM: 7 -0.326172677236E+03 0.10802E-03 -0.13490E-04 3867 0.357E-02 0.114E-01 RMM: 8 -0.326172594278E+03 0.82958E-04 -0.51566E-05 3296 0.213E-02 0.381E-02 RMM: 9 -0.326172605168E+03 -0.10889E-04 -0.22942E-05 2588 0.140E-02 5328 T= 6583. E= 0.68993056E+03 F= 0.63547284E+03 E0= 0.66433263E+03 EK= 0.54458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325624916302E+03 0.54768E+00 -0.22399E-01 8868 0.239E+01 0.326E-01 RMM: 2 -0.325641415630E+03 -0.16499E-01 -0.13395E-01 5234 0.801E-01 0.934E-01 RMM: 3 -0.325634346386E+03 0.70692E-02 -0.11160E-02 5581 0.224E-01 0.218E-01 RMM: 4 -0.325635166810E+03 -0.82042E-03 -0.17492E-03 5027 0.103E-01 0.434E-01 RMM: 5 -0.325634017809E+03 0.11490E-02 -0.66732E-04 4569 0.688E-02 0.159E-01 RMM: 6 -0.325633877399E+03 0.14041E-03 -0.19995E-04 3887 0.368E-02 0.782E-02 RMM: 7 -0.325633934791E+03 -0.57391E-04 -0.82109E-05 3589 0.256E-02 0.125E-01 RMM: 8 -0.325633828534E+03 0.10626E-03 -0.43280E-05 3199 0.207E-02 0.262E-02 RMM: 9 -0.325633828921E+03 -0.38710E-06 -0.87764E-06 2488 0.842E-03 5329 T= 6411. E= 0.68870730E+03 F= 0.63566946E+03 E0= 0.66453710E+03 EK= 0.53038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325191711160E+03 0.44212E+00 -0.22397E-01 8988 0.236E+01 0.373E-01 RMM: 2 -0.325205272876E+03 -0.13562E-01 -0.13184E-01 5394 0.787E-01 0.755E-01 RMM: 3 -0.325200673110E+03 0.45998E-02 -0.10317E-02 5641 0.212E-01 0.302E-01 RMM: 4 -0.325201541303E+03 -0.86819E-03 -0.20926E-03 4999 0.114E-01 0.494E-01 RMM: 5 -0.325200036258E+03 0.15050E-02 -0.91515E-04 4609 0.805E-02 0.180E-01 RMM: 6 -0.325199870405E+03 0.16585E-03 -0.24263E-04 3917 0.404E-02 0.100E-01 RMM: 7 -0.325199911226E+03 -0.40821E-04 -0.12200E-04 3866 0.314E-02 0.134E-01 RMM: 8 -0.325199792600E+03 0.11863E-03 -0.60152E-05 3410 0.232E-02 0.383E-02 RMM: 9 -0.325199789631E+03 0.29691E-05 -0.15585E-05 2521 0.115E-02 5330 T= 6262. E= 0.68755989E+03 F= 0.63575975E+03 E0= 0.66464029E+03 EK= 0.51800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324920921727E+03 0.27887E+00 -0.22273E-01 8976 0.235E+01 0.379E-01 RMM: 2 -0.324939629832E+03 -0.18708E-01 -0.13174E-01 5362 0.791E-01 0.115E+00 RMM: 3 -0.324929682408E+03 0.99474E-02 -0.11352E-02 5524 0.229E-01 0.269E-01 RMM: 4 -0.324930538747E+03 -0.85634E-03 -0.22053E-03 5052 0.115E-01 0.466E-01 RMM: 5 -0.324929214341E+03 0.13244E-02 -0.84368E-04 4584 0.760E-02 0.186E-01 RMM: 6 -0.324929026941E+03 0.18740E-03 -0.24855E-04 3896 0.405E-02 0.916E-02 RMM: 7 -0.324929097091E+03 -0.70149E-04 -0.12042E-04 3866 0.301E-02 0.141E-01 RMM: 8 -0.324928963998E+03 0.13309E-03 -0.61211E-05 3426 0.235E-02 0.395E-02 RMM: 9 -0.324928959023E+03 0.49750E-05 -0.13902E-05 2518 0.108E-02 5331 T= 6189. E= 0.68688973E+03 F= 0.63568611E+03 E0= 0.66458160E+03 EK= 0.51204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324858248423E+03 0.70716E-01 -0.22545E-01 8988 0.235E+01 0.374E-01 RMM: 2 -0.324877093559E+03 -0.18845E-01 -0.13223E-01 5356 0.790E-01 0.116E+00 RMM: 3 -0.324867286650E+03 0.98069E-02 -0.11241E-02 5604 0.223E-01 0.263E-01 RMM: 4 -0.324868026384E+03 -0.73973E-03 -0.21955E-03 5009 0.115E-01 0.449E-01 RMM: 5 -0.324866913348E+03 0.11130E-02 -0.79276E-04 4610 0.739E-02 0.221E-01 RMM: 6 -0.324866613032E+03 0.30032E-03 -0.29528E-04 3938 0.450E-02 0.886E-02 RMM: 7 -0.324866686472E+03 -0.73440E-04 -0.14120E-04 3873 0.330E-02 0.143E-01 RMM: 8 -0.324866550653E+03 0.13582E-03 -0.69242E-05 3481 0.248E-02 0.365E-02 RMM: 9 -0.324866548007E+03 0.26454E-05 -0.15433E-05 2522 0.115E-02 5332 T= 6222. E= 0.68687500E+03 F= 0.63540521E+03 E0= 0.66431594E+03 EK= 0.51470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325028811747E+03 -0.16226E+00 -0.22656E-01 8952 0.238E+01 0.361E-01 RMM: 2 -0.325049090247E+03 -0.20278E-01 -0.13810E-01 5264 0.813E-01 0.120E+00 RMM: 3 -0.325038613459E+03 0.10477E-01 -0.12475E-02 5518 0.239E-01 0.273E-01 RMM: 4 -0.325039080355E+03 -0.46690E-03 -0.21228E-03 4993 0.111E-01 0.405E-01 RMM: 5 -0.325038127569E+03 0.95279E-03 -0.79658E-04 4599 0.748E-02 0.194E-01 RMM: 6 -0.325037921264E+03 0.20630E-03 -0.23904E-04 3884 0.396E-02 0.933E-02 RMM: 7 -0.325037971028E+03 -0.49764E-04 -0.12811E-04 3872 0.316E-02 0.133E-01 RMM: 8 -0.325037855982E+03 0.11505E-03 -0.58062E-05 3387 0.229E-02 0.389E-02 RMM: 9 -0.325037851600E+03 0.43817E-05 -0.13385E-05 2511 0.106E-02 5333 T= 6351. E= 0.68743206E+03 F= 0.63489384E+03 E0= 0.66381812E+03 EK= 0.52538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325436046266E+03 -0.39819E+00 -0.22758E-01 9012 0.241E+01 0.360E-01 RMM: 2 -0.325457001084E+03 -0.20955E-01 -0.13760E-01 5196 0.823E-01 0.125E+00 RMM: 3 -0.325445989986E+03 0.11011E-01 -0.13022E-02 5639 0.236E-01 0.277E-01 RMM: 4 -0.325446185368E+03 -0.19538E-03 -0.20371E-03 5016 0.109E-01 0.367E-01 RMM: 5 -0.325445517876E+03 0.66749E-03 -0.80236E-04 4604 0.748E-02 0.221E-01 RMM: 6 -0.325445235720E+03 0.28216E-03 -0.31373E-04 3925 0.464E-02 0.982E-02 RMM: 7 -0.325445316982E+03 -0.81262E-04 -0.14867E-04 3880 0.342E-02 0.154E-01 RMM: 8 -0.325445165728E+03 0.15125E-03 -0.73417E-05 3512 0.255E-02 0.448E-02 RMM: 9 -0.325445157168E+03 0.85596E-05 -0.15429E-05 2527 0.116E-02 5334 T= 6536. E= 0.68822060E+03 F= 0.63415096E+03 E0= 0.66308640E+03 EK= 0.54070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326057987528E+03 -0.61282E+00 -0.22794E-01 8820 0.245E+01 0.340E-01 RMM: 2 -0.326078396117E+03 -0.20409E-01 -0.14217E-01 5214 0.829E-01 0.114E+00 RMM: 3 -0.326068625935E+03 0.97702E-02 -0.13123E-02 5497 0.240E-01 0.266E-01 RMM: 4 -0.326068875714E+03 -0.24978E-03 -0.19958E-03 4990 0.108E-01 0.362E-01 RMM: 5 -0.326068109933E+03 0.76578E-03 -0.81063E-04 4590 0.757E-02 0.183E-01 RMM: 6 -0.326067971626E+03 0.13831E-03 -0.25791E-04 3884 0.410E-02 0.120E-01 RMM: 7 -0.326067951050E+03 0.20577E-04 -0.13424E-04 3881 0.346E-02 0.115E-01 RMM: 8 -0.326067865958E+03 0.85092E-04 -0.51235E-05 3309 0.214E-02 0.348E-02 RMM: 9 -0.326067867970E+03 -0.20124E-05 -0.16768E-05 2526 0.120E-02 5335 T= 6711. E= 0.68871337E+03 F= 0.63319701E+03 E0= 0.66214013E+03 EK= 0.55516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326856673074E+03 -0.78881E+00 -0.22230E-01 8376 0.248E+01 0.345E-01 RMM: 2 -0.326879780895E+03 -0.23108E-01 -0.14407E-01 5022 0.874E-01 0.132E+00 RMM: 3 -0.326867620562E+03 0.12160E-01 -0.14800E-02 5630 0.253E-01 0.267E-01 RMM: 4 -0.326867604007E+03 0.16555E-04 -0.19480E-03 5080 0.106E-01 0.321E-01 RMM: 5 -0.326867050179E+03 0.55383E-03 -0.85078E-04 4608 0.793E-02 0.184E-01 RMM: 6 -0.326866908881E+03 0.14130E-03 -0.27072E-04 3902 0.428E-02 0.120E-01 RMM: 7 -0.326866919898E+03 -0.11017E-04 -0.14465E-04 3880 0.353E-02 5336 T= 6806. E= 0.68837273E+03 F= 0.63206932E+03 E0= 0.66101685E+03 EK= 0.56303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327788502664E+03 -0.92159E+00 -0.21142E-01 8220 0.248E+01 0.364E-01 RMM: 2 -0.327803780087E+03 -0.15277E-01 -0.11883E-01 5192 0.780E-01 0.973E-01 RMM: 3 -0.327797004332E+03 0.67758E-02 -0.11519E-02 5478 0.229E-01 0.298E-01 RMM: 4 -0.327797490032E+03 -0.48570E-03 -0.21397E-03 5064 0.114E-01 0.428E-01 RMM: 5 -0.327796374512E+03 0.11155E-02 -0.10901E-03 4608 0.896E-02 0.189E-01 RMM: 6 -0.327796266110E+03 0.10840E-03 -0.31411E-04 3922 0.455E-02 0.150E-01 RMM: 7 -0.327796186403E+03 0.79706E-04 -0.19085E-04 3888 0.426E-02 0.118E-01 RMM: 8 -0.327796100350E+03 0.86053E-04 -0.59979E-05 3388 0.233E-02 0.430E-02 RMM: 9 -0.327796110161E+03 -0.98105E-05 -0.24077E-05 2647 0.142E-02 5337 T= 6780. E= 0.68689971E+03 F= 0.63081119E+03 E0= 0.65975946E+03 EK= 0.56089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328798205030E+03 -0.10021E+01 -0.21066E-01 7848 0.247E+01 0.295E-01 RMM: 2 -0.328814817139E+03 -0.16612E-01 -0.13043E-01 4897 0.825E-01 0.941E-01 RMM: 3 -0.328808419523E+03 0.63976E-02 -0.13469E-02 5739 0.228E-01 0.210E-01 RMM: 4 -0.328808668865E+03 -0.24934E-03 -0.16845E-03 5134 0.103E-01 0.337E-01 RMM: 5 -0.328807951550E+03 0.71731E-03 -0.69872E-04 4599 0.719E-02 0.132E-01 RMM: 6 -0.328807900754E+03 0.50796E-04 -0.20904E-04 3888 0.378E-02 0.106E-01 RMM: 7 -0.328807881589E+03 0.19165E-04 -0.76747E-05 3626 0.272E-02 5338 T= 6641. E= 0.68440636E+03 F= 0.62946698E+03 E0= 0.65841376E+03 EK= 0.54939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329849566240E+03 -0.10417E+01 -0.19496E-01 7800 0.244E+01 0.374E-01 RMM: 2 -0.329860323784E+03 -0.10758E-01 -0.10340E-01 4988 0.750E-01 0.754E-01 RMM: 3 -0.329856547951E+03 0.37758E-02 -0.11190E-02 5632 0.216E-01 0.302E-01 RMM: 4 -0.329857422750E+03 -0.87480E-03 -0.22426E-03 5217 0.122E-01 0.500E-01 RMM: 5 -0.329855768661E+03 0.16541E-02 -0.11049E-03 4608 0.883E-02 0.152E-01 RMM: 6 -0.329855772037E+03 -0.33757E-05 -0.32122E-04 3931 0.465E-02 0.164E-01 RMM: 7 -0.329855677069E+03 0.94968E-04 -0.16878E-04 3882 0.401E-02 0.124E-01 RMM: 8 -0.329855578446E+03 0.98623E-04 -0.55477E-05 3335 0.223E-02 0.413E-02 RMM: 9 -0.329855585955E+03 -0.75098E-05 -0.28154E-05 2809 0.156E-02 5339 T= 6441. E= 0.68136762E+03 F= 0.62808078E+03 E0= 0.65702373E+03 EK= 0.53287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330888556682E+03 -0.10330E+01 -0.19104E-01 7740 0.240E+01 0.298E-01 RMM: 2 -0.330901025331E+03 -0.12469E-01 -0.10793E-01 4844 0.766E-01 0.776E-01 RMM: 3 -0.330896641399E+03 0.43839E-02 -0.11583E-02 5717 0.210E-01 0.219E-01 RMM: 4 -0.330897085350E+03 -0.44395E-03 -0.16045E-03 5087 0.102E-01 0.381E-01 RMM: 5 -0.330896190749E+03 0.89460E-03 -0.76866E-04 4606 0.758E-02 0.150E-01 RMM: 6 -0.330896100739E+03 0.90010E-04 -0.25430E-04 3898 0.420E-02 0.104E-01 RMM: 7 -0.330896100243E+03 0.49590E-06 -0.91603E-05 3740 0.300E-02 5340 T= 6249. E= 0.67839313E+03 F= 0.62669458E+03 E0= 0.65563264E+03 EK= 0.51699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331886340410E+03 -0.99024E+00 -0.17474E-01 7872 0.238E+01 0.377E-01 RMM: 2 -0.331896086799E+03 -0.97464E-02 -0.93022E-02 4948 0.715E-01 0.754E-01 RMM: 3 -0.331892332986E+03 0.37538E-02 -0.10171E-02 5585 0.204E-01 0.298E-01 RMM: 4 -0.331893215270E+03 -0.88228E-03 -0.24060E-03 5232 0.128E-01 0.511E-01 RMM: 5 -0.331891565223E+03 0.16500E-02 -0.12614E-03 4609 0.960E-02 0.160E-01 RMM: 6 -0.331891539769E+03 0.25453E-04 -0.30596E-04 3909 0.456E-02 0.160E-01 RMM: 7 -0.331891437448E+03 0.10232E-03 -0.19269E-04 3884 0.427E-02 0.119E-01 RMM: 8 -0.331891347145E+03 0.90303E-04 -0.66716E-05 3460 0.245E-02 0.408E-02 RMM: 9 -0.331891358116E+03 -0.10971E-04 -0.27448E-05 2742 0.155E-02 5341 T= 6123. E= 0.67599689E+03 F= 0.62534713E+03 E0= 0.65427825E+03 EK= 0.50650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332805321340E+03 -0.91397E+00 -0.17227E-01 8076 0.237E+01 0.289E-01 RMM: 2 -0.332814861242E+03 -0.95399E-02 -0.76670E-02 4996 0.646E-01 0.783E-01 RMM: 3 -0.332810560509E+03 0.43007E-02 -0.81673E-03 5626 0.183E-01 0.196E-01 RMM: 4 -0.332811071783E+03 -0.51127E-03 -0.14009E-03 4856 0.968E-02 0.376E-01 RMM: 5 -0.332810152416E+03 0.91937E-03 -0.72254E-04 4608 0.739E-02 0.119E-01 RMM: 6 -0.332810195699E+03 -0.43283E-04 -0.24994E-04 3894 0.411E-02 0.149E-01 RMM: 7 -0.332810105337E+03 0.90362E-04 -0.10285E-04 3778 0.319E-02 0.100E-01 RMM: 8 -0.332810037411E+03 0.67925E-04 -0.33581E-05 3034 0.176E-02 0.265E-02 RMM: 9 -0.332810039914E+03 -0.25026E-05 -0.14882E-05 2488 0.114E-02 5342 T= 6093. E= 0.67447533E+03 F= 0.62407199E+03 E0= 0.65299474E+03 EK= 0.50403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333624881252E+03 -0.81484E+00 -0.17092E-01 8388 0.238E+01 0.336E-01 RMM: 2 -0.333632692750E+03 -0.78115E-02 -0.74993E-02 5098 0.641E-01 0.693E-01 RMM: 3 -0.333629572617E+03 0.31201E-02 -0.78233E-03 5627 0.180E-01 0.265E-01 RMM: 4 -0.333630172736E+03 -0.60012E-03 -0.17910E-03 4934 0.111E-01 0.438E-01 RMM: 5 -0.333628936707E+03 0.12360E-02 -0.10253E-03 4603 0.873E-02 0.144E-01 RMM: 6 -0.333628947236E+03 -0.10529E-04 -0.28794E-04 3893 0.441E-02 0.160E-01 RMM: 7 -0.333628830344E+03 0.11689E-03 -0.16152E-04 3881 0.399E-02 0.106E-01 RMM: 8 -0.333628759487E+03 0.70857E-04 -0.44766E-05 3207 0.202E-02 0.368E-02 RMM: 9 -0.333628764600E+03 -0.51132E-05 -0.24003E-05 2578 0.146E-02 5343 T= 6163. E= 0.67387961E+03 F= 0.62289562E+03 E0= 0.65180740E+03 EK= 0.50984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334325520290E+03 -0.69676E+00 -0.17740E-01 7920 0.240E+01 0.317E-01 RMM: 2 -0.334336072052E+03 -0.10552E-01 -0.87309E-02 4978 0.691E-01 0.810E-01 RMM: 3 -0.334331618632E+03 0.44534E-02 -0.97878E-03 5705 0.195E-01 0.241E-01 RMM: 4 -0.334331942301E+03 -0.32367E-03 -0.15639E-03 4893 0.102E-01 0.374E-01 RMM: 5 -0.334331031571E+03 0.91073E-03 -0.92631E-04 4608 0.837E-02 0.141E-01 RMM: 6 -0.334331059646E+03 -0.28075E-04 -0.32166E-04 3935 0.468E-02 0.162E-01 RMM: 7 -0.334330947215E+03 0.11243E-03 -0.13967E-04 3864 0.373E-02 0.108E-01 RMM: 8 -0.334330871791E+03 0.75424E-04 -0.39861E-05 3145 0.190E-02 0.351E-02 RMM: 9 -0.334330877460E+03 -0.56690E-05 -0.20528E-05 2554 0.133E-02 5344 T= 6309. E= 0.67402785E+03 F= 0.62183760E+03 E0= 0.65073521E+03 EK= 0.52190E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334895033291E+03 -0.56416E+00 -0.18212E-01 8184 0.242E+01 0.318E-01 RMM: 2 -0.334903901206E+03 -0.88679E-02 -0.75777E-02 5139 0.642E-01 0.770E-01 RMM: 3 -0.334899873358E+03 0.40278E-02 -0.76703E-03 5602 0.179E-01 0.239E-01 RMM: 4 -0.334900325476E+03 -0.45212E-03 -0.16203E-03 4795 0.105E-01 0.389E-01 RMM: 5 -0.334899362755E+03 0.96272E-03 -0.90141E-04 4605 0.825E-02 0.148E-01 RMM: 6 -0.334899338952E+03 0.23804E-04 -0.25150E-04 3899 0.409E-02 0.144E-01 RMM: 7 -0.334899257274E+03 0.81678E-04 -0.14388E-04 3877 0.371E-02 0.107E-01 RMM: 8 -0.334899183359E+03 0.73915E-04 -0.45810E-05 3221 0.206E-02 0.322E-02 RMM: 9 -0.334899189388E+03 -0.60292E-05 -0.19596E-05 2541 0.131E-02 5345 T= 6482. E= 0.67454137E+03 F= 0.62091702E+03 E0= 0.64979531E+03 EK= 0.53624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335304663973E+03 -0.40548E+00 -0.18576E-01 8184 0.245E+01 0.317E-01 RMM: 2 -0.335314090866E+03 -0.94269E-02 -0.82680E-02 5109 0.665E-01 0.759E-01 RMM: 3 -0.335310147214E+03 0.39437E-02 -0.84541E-03 5675 0.183E-01 0.240E-01 RMM: 4 -0.335310598299E+03 -0.45108E-03 -0.15903E-03 4810 0.103E-01 0.392E-01 RMM: 5 -0.335309591925E+03 0.10064E-02 -0.90357E-04 4604 0.824E-02 0.132E-01 RMM: 6 -0.335309617596E+03 -0.25672E-04 -0.27594E-04 3909 0.432E-02 0.154E-01 RMM: 7 -0.335309516654E+03 0.10094E-03 -0.12803E-04 3858 0.359E-02 0.104E-01 RMM: 8 -0.335309446252E+03 0.70403E-04 -0.39561E-05 3144 0.189E-02 0.337E-02 RMM: 9 -0.335309451585E+03 -0.53336E-05 -0.18593E-05 2540 0.127E-02 5346 T= 6621. E= 0.67493572E+03 F= 0.62015849E+03 E0= 0.64901154E+03 EK= 0.54777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335524514162E+03 -0.21507E+00 -0.19020E-01 8304 0.246E+01 0.321E-01 RMM: 2 -0.335534066547E+03 -0.95524E-02 -0.75999E-02 5198 0.638E-01 0.835E-01 RMM: 3 -0.335529234856E+03 0.48317E-02 -0.73372E-03 5539 0.179E-01 0.236E-01 RMM: 4 -0.335529790166E+03 -0.55531E-03 -0.16910E-03 4791 0.106E-01 0.400E-01 RMM: 5 -0.335528811813E+03 0.97835E-03 -0.85114E-04 4605 0.799E-02 0.164E-01 RMM: 6 -0.335528707479E+03 0.10433E-03 -0.23280E-04 3895 0.391E-02 0.118E-01 RMM: 7 -0.335528671320E+03 0.36159E-04 -0.13584E-04 3868 0.361E-02 0.105E-01 RMM: 8 -0.335528599318E+03 0.72002E-04 -0.43335E-05 3211 0.203E-02 0.312E-02 RMM: 9 -0.335528605126E+03 -0.58085E-05 -0.17748E-05 2532 0.125E-02 5347 T= 6673. E= 0.67479423E+03 F= 0.61959399E+03 E0= 0.64841425E+03 EK= 0.55200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335518553286E+03 0.10046E-01 -0.19050E-01 8220 0.245E+01 0.321E-01 RMM: 2 -0.335527173070E+03 -0.86198E-02 -0.78603E-02 5164 0.645E-01 0.722E-01 RMM: 3 -0.335523561984E+03 0.36111E-02 -0.76084E-03 5645 0.176E-01 0.237E-01 RMM: 4 -0.335524183826E+03 -0.62184E-03 -0.16453E-03 4804 0.105E-01 0.418E-01 RMM: 5 -0.335523039284E+03 0.11445E-02 -0.86241E-04 4608 0.797E-02 0.134E-01 RMM: 6 -0.335523032177E+03 0.71067E-05 -0.24598E-04 3899 0.406E-02 0.138E-01 RMM: 7 -0.335522960900E+03 0.71277E-04 -0.11364E-04 3843 0.340E-02 0.103E-01 RMM: 8 -0.335522891381E+03 0.69519E-04 -0.35719E-05 3068 0.182E-02 0.321E-02 RMM: 9 -0.335522896361E+03 -0.49796E-05 -0.18084E-05 2526 0.125E-02 5348 T= 6613. E= 0.67396336E+03 F= 0.61925534E+03 E0= 0.64803610E+03 EK= 0.54708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335266381443E+03 0.25651E+00 -0.18759E-01 7908 0.243E+01 0.331E-01 RMM: 2 -0.335275755654E+03 -0.93742E-02 -0.83696E-02 5108 0.662E-01 0.747E-01 RMM: 3 -0.335271791280E+03 0.39644E-02 -0.84085E-03 5557 0.187E-01 0.244E-01 RMM: 4 -0.335272467625E+03 -0.67635E-03 -0.18774E-03 4959 0.113E-01 0.429E-01 RMM: 5 -0.335271255882E+03 0.12117E-02 -0.81742E-04 4610 0.762E-02 0.127E-01 RMM: 6 -0.335271248972E+03 0.69096E-05 -0.19638E-04 3892 0.358E-02 5349 T= 6465. E= 0.67264116E+03 F= 0.61916179E+03 E0= 0.64789696E+03 EK= 0.53479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334771827687E+03 0.49943E+00 -0.18039E-01 7860 0.239E+01 0.465E-01 RMM: 2 -0.334796762901E+03 -0.24935E-01 -0.87305E-02 5178 0.697E-01 0.174E+00 RMM: 3 -0.334776051818E+03 0.20711E-01 -0.14250E-02 5362 0.290E-01 0.316E-01 RMM: 4 -0.334776529629E+03 -0.47781E-03 -0.24471E-03 5124 0.113E-01 0.434E-01 RMM: 5 -0.334775625924E+03 0.90370E-03 -0.12303E-03 4608 0.950E-02 0.278E-01 RMM: 6 -0.334775173700E+03 0.45222E-03 -0.51211E-04 4548 0.595E-02 0.121E-01 RMM: 7 -0.334775236186E+03 -0.62486E-04 -0.20686E-04 3875 0.408E-02 0.165E-01 RMM: 8 -0.334775052990E+03 0.18320E-03 -0.11126E-04 3823 0.324E-02 0.474E-02 RMM: 9 -0.334775056688E+03 -0.36988E-05 -0.31807E-05 2966 0.165E-02 5350 T= 6282. E= 0.67128011E+03 F= 0.61931111E+03 E0= 0.64799632E+03 EK= 0.51969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334053905471E+03 0.72115E+00 -0.17336E-01 7896 0.236E+01 0.413E-01 RMM: 2 -0.334078655959E+03 -0.24750E-01 -0.77563E-02 5183 0.641E-01 0.173E+00 RMM: 3 -0.334057934644E+03 0.20721E-01 -0.12451E-02 5347 0.272E-01 0.348E-01 RMM: 4 -0.334057829485E+03 0.10516E-03 -0.24020E-03 5132 0.113E-01 0.345E-01 RMM: 5 -0.334057433017E+03 0.39647E-03 -0.69815E-04 4605 0.721E-02 0.261E-01 RMM: 6 -0.334056965836E+03 0.46718E-03 -0.24036E-04 3885 0.412E-02 0.544E-02 RMM: 7 -0.334057037378E+03 -0.71542E-04 -0.96623E-05 3703 0.258E-02 0.121E-01 RMM: 8 -0.334056938134E+03 0.99244E-04 -0.45480E-05 3221 0.213E-02 0.297E-02 RMM: 9 -0.334056934822E+03 0.33128E-05 -0.10078E-05 2492 0.918E-03 5351 T= 6129. E= 0.67038641E+03 F= 0.61968126E+03 E0= 0.64831722E+03 EK= 0.50705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333153246681E+03 0.90369E+00 -0.17109E-01 7788 0.234E+01 0.391E-01 RMM: 2 -0.333165373596E+03 -0.12127E-01 -0.77755E-02 5193 0.643E-01 0.108E+00 RMM: 3 -0.333157408912E+03 0.79647E-02 -0.88562E-03 5421 0.211E-01 0.283E-01 RMM: 4 -0.333158266226E+03 -0.85731E-03 -0.21859E-03 5009 0.115E-01 0.472E-01 RMM: 5 -0.333156842136E+03 0.14241E-02 -0.91338E-04 4608 0.813E-02 0.176E-01 RMM: 6 -0.333156695522E+03 0.14661E-03 -0.25265E-04 3889 0.414E-02 0.112E-01 RMM: 7 -0.333156704287E+03 -0.87651E-05 -0.13476E-04 3872 0.343E-02 5352 T= 6057. E= 0.67034527E+03 F= 0.62023469E+03 E0= 0.64882353E+03 EK= 0.50111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332118574883E+03 0.10381E+01 -0.17096E-01 8088 0.233E+01 0.383E-01 RMM: 2 -0.332126679658E+03 -0.81048E-02 -0.73441E-02 5205 0.623E-01 0.795E-01 RMM: 3 -0.332122574598E+03 0.41051E-02 -0.74815E-03 5528 0.186E-01 0.307E-01 RMM: 4 -0.332123430474E+03 -0.85588E-03 -0.19571E-03 4917 0.110E-01 0.489E-01 RMM: 5 -0.332121812711E+03 0.16178E-02 -0.99160E-04 4608 0.847E-02 0.138E-01 RMM: 6 -0.332121775183E+03 0.37528E-04 -0.22780E-04 3888 0.389E-02 0.126E-01 RMM: 7 -0.332121739689E+03 0.35494E-04 -0.10938E-04 3865 0.309E-02 0.118E-01 RMM: 8 -0.332121647846E+03 0.91843E-04 -0.50092E-05 3301 0.210E-02 0.335E-02 RMM: 9 -0.332121656685E+03 -0.88387E-05 -0.20581E-05 2557 0.131E-02 5353 T= 6093. E= 0.67133167E+03 F= 0.62092735E+03 E0= 0.64947549E+03 EK= 0.50404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330998407090E+03 0.11232E+01 -0.18132E-01 7992 0.235E+01 0.318E-01 RMM: 2 -0.331010329807E+03 -0.11923E-01 -0.89328E-02 4944 0.705E-01 0.914E-01 RMM: 3 -0.331004455964E+03 0.58738E-02 -0.10167E-02 5561 0.212E-01 0.203E-01 RMM: 4 -0.331005064964E+03 -0.60900E-03 -0.15289E-03 4878 0.950E-02 0.390E-01 RMM: 5 -0.331004106924E+03 0.95804E-03 -0.60247E-04 4603 0.662E-02 0.140E-01 RMM: 6 -0.331004004153E+03 0.10277E-03 -0.18516E-04 3892 0.353E-02 0.768E-02 RMM: 7 -0.331004034915E+03 -0.30762E-04 -0.63077E-05 3477 0.235E-02 0.108E-01 RMM: 8 -0.331003955178E+03 0.79737E-04 -0.30627E-05 2965 0.176E-02 0.201E-02 RMM: 9 -0.331003958197E+03 -0.30190E-05 -0.94906E-06 2473 0.866E-03 5354 T= 6233. E= 0.67327466E+03 F= 0.62171038E+03 E0= 0.65022542E+03 EK= 0.51564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329850482458E+03 0.11535E+01 -0.17803E-01 8052 0.238E+01 0.340E-01 RMM: 2 -0.329859683241E+03 -0.92008E-02 -0.77550E-02 5130 0.656E-01 0.802E-01 RMM: 3 -0.329855411258E+03 0.42720E-02 -0.80493E-03 5540 0.190E-01 0.272E-01 RMM: 4 -0.329855896185E+03 -0.48493E-03 -0.17511E-03 4913 0.105E-01 0.406E-01 RMM: 5 -0.329854799448E+03 0.10967E-02 -0.84836E-04 4605 0.796E-02 0.135E-01 RMM: 6 -0.329854750221E+03 0.49227E-04 -0.18767E-04 3880 0.352E-02 0.114E-01 RMM: 7 -0.329854717889E+03 0.32331E-04 -0.97333E-05 3829 0.296E-02 0.103E-01 RMM: 8 -0.329854647603E+03 0.70286E-04 -0.38606E-05 3150 0.190E-02 0.308E-02 RMM: 9 -0.329854652077E+03 -0.44735E-05 -0.15334E-05 2520 0.113E-02 5355 T= 6444. E= 0.67584439E+03 F= 0.62253506E+03 E0= 0.65102513E+03 EK= 0.53309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328711216383E+03 0.11434E+01 -0.17887E-01 7992 0.241E+01 0.323E-01 RMM: 2 -0.328723140256E+03 -0.11924E-01 -0.84209E-02 5036 0.701E-01 0.953E-01 RMM: 3 -0.328716823878E+03 0.63164E-02 -0.92483E-03 5515 0.206E-01 0.202E-01 RMM: 4 -0.328717340023E+03 -0.51615E-03 -0.15818E-03 4887 0.995E-02 0.375E-01 RMM: 5 -0.328716462818E+03 0.87720E-03 -0.68867E-04 4605 0.714E-02 0.143E-01 RMM: 6 -0.328716398879E+03 0.63939E-04 -0.20278E-04 3888 0.367E-02 0.112E-01 RMM: 7 -0.328716379677E+03 0.19202E-04 -0.95312E-05 3785 0.296E-02 5356 T= 6663. E= 0.67847716E+03 F= 0.62335938E+03 E0= 0.65183292E+03 EK= 0.55118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327612236234E+03 0.11042E+01 -0.18156E-01 8028 0.245E+01 0.333E-01 RMM: 2 -0.327620472148E+03 -0.82359E-02 -0.75897E-02 5129 0.668E-01 0.718E-01 RMM: 3 -0.327617162460E+03 0.33097E-02 -0.77157E-03 5572 0.186E-01 0.258E-01 RMM: 4 -0.327617654351E+03 -0.49189E-03 -0.14735E-03 4815 0.971E-02 0.406E-01 RMM: 5 -0.327616543995E+03 0.11104E-02 -0.91511E-04 4604 0.838E-02 0.125E-01 RMM: 6 -0.327616594063E+03 -0.50068E-04 -0.28010E-04 3893 0.431E-02 0.159E-01 RMM: 7 -0.327616462427E+03 0.13164E-03 -0.12379E-04 3841 0.354E-02 0.903E-02 RMM: 8 -0.327616412409E+03 0.50018E-04 -0.30110E-05 2937 0.168E-02 0.373E-02 RMM: 9 -0.327616418105E+03 -0.56968E-05 -0.21778E-05 2549 0.136E-02 5357 T= 6812. E= 0.68050752E+03 F= 0.62415488E+03 E0= 0.65261920E+03 EK= 0.56353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326561480573E+03 0.10549E+01 -0.18697E-01 7956 0.246E+01 0.275E-01 RMM: 2 -0.326573234227E+03 -0.11754E-01 -0.91842E-02 4961 0.747E-01 0.846E-01 RMM: 3 -0.326568343857E+03 0.48904E-02 -0.10292E-02 5695 0.206E-01 0.176E-01 RMM: 4 -0.326568571367E+03 -0.22751E-03 -0.11723E-03 4832 0.865E-02 0.304E-01 RMM: 5 -0.326567998451E+03 0.57292E-03 -0.52875E-04 4584 0.637E-02 0.130E-01 RMM: 6 -0.326567957315E+03 0.41137E-04 -0.20165E-04 3886 0.371E-02 0.108E-01 RMM: 7 -0.326567932258E+03 0.25057E-04 -0.73031E-05 3580 0.267E-02 0.954E-02 RMM: 8 -0.326567870001E+03 0.62257E-04 -0.27458E-05 2926 0.164E-02 0.212E-02 RMM: 9 -0.326567872529E+03 -0.25279E-05 -0.10286E-05 2470 0.930E-03 5358 T= 6833. E= 0.68142929E+03 F= 0.62490589E+03 E0= 0.65336555E+03 EK= 0.56523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325573182692E+03 0.99469E+00 -0.18182E-01 7980 0.245E+01 0.317E-01 RMM: 2 -0.325581552912E+03 -0.83702E-02 -0.79161E-02 5148 0.683E-01 0.689E-01 RMM: 3 -0.325578460048E+03 0.30929E-02 -0.80612E-03 5669 0.187E-01 0.230E-01 RMM: 4 -0.325578995901E+03 -0.53585E-03 -0.13548E-03 4830 0.942E-02 0.399E-01 RMM: 5 -0.325577949210E+03 0.10467E-02 -0.70695E-04 4602 0.718E-02 0.133E-01 RMM: 6 -0.325577937985E+03 0.11225E-04 -0.25987E-04 3902 0.419E-02 0.133E-01 RMM: 7 -0.325577871969E+03 0.66016E-04 -0.10143E-04 3795 0.315E-02 0.992E-02 RMM: 8 -0.325577806310E+03 0.65659E-04 -0.27947E-05 2871 0.164E-02 0.317E-02 RMM: 9 -0.325577809853E+03 -0.35427E-05 -0.17835E-05 2515 0.123E-02 5359 T= 6715. E= 0.68115727E+03 F= 0.62560227E+03 E0= 0.65405899E+03 EK= 0.55555E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324651611513E+03 0.92619E+00 -0.18376E-01 7908 0.242E+01 0.315E-01 RMM: 2 -0.324663376497E+03 -0.11765E-01 -0.92863E-02 4967 0.733E-01 0.871E-01 RMM: 3 -0.324658101336E+03 0.52752E-02 -0.10123E-02 5657 0.211E-01 0.192E-01 RMM: 4 -0.324658647841E+03 -0.54650E-03 -0.14010E-03 4951 0.939E-02 0.379E-01 RMM: 5 -0.324657710335E+03 0.93751E-03 -0.59985E-04 4595 0.661E-02 0.129E-01 RMM: 6 -0.324657694048E+03 0.16288E-04 -0.20567E-04 3884 0.371E-02 0.126E-01 RMM: 7 -0.324657657217E+03 0.36831E-04 -0.94090E-05 3732 0.291E-02 0.108E-01 RMM: 8 -0.324657576010E+03 0.81207E-04 -0.41999E-05 3185 0.196E-02 0.259E-02 RMM: 9 -0.324657580341E+03 -0.43318E-05 -0.15592E-05 2501 0.114E-02 5360 T= 6509. E= 0.68007471E+03 F= 0.62623008E+03 E0= 0.65468293E+03 EK= 0.53845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323823614425E+03 0.83396E+00 -0.17735E-01 7896 0.238E+01 0.324E-01 RMM: 2 -0.323834899404E+03 -0.11285E-01 -0.87722E-02 5103 0.702E-01 0.876E-01 RMM: 3 -0.323829502704E+03 0.53967E-02 -0.90206E-03 5616 0.201E-01 0.218E-01 RMM: 4 -0.323830103185E+03 -0.60048E-03 -0.15255E-03 4945 0.985E-02 0.396E-01 RMM: 5 -0.323829058928E+03 0.10443E-02 -0.65648E-04 4602 0.685E-02 0.129E-01 RMM: 6 -0.323829025582E+03 0.33346E-04 -0.21733E-04 3896 0.381E-02 0.115E-01 RMM: 7 -0.323829021130E+03 0.44524E-05 -0.90214E-05 3731 0.281E-02 5361 T= 6292. E= 0.67881951E+03 F= 0.62676624E+03 E0= 0.65521201E+03 EK= 0.52053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323111467327E+03 0.71756E+00 -0.17005E-01 7896 0.234E+01 0.352E-01 RMM: 2 -0.323121966697E+03 -0.10499E-01 -0.91843E-02 5043 0.720E-01 0.812E-01 RMM: 3 -0.323117553280E+03 0.44134E-02 -0.98852E-03 5655 0.209E-01 0.248E-01 RMM: 4 -0.323118317606E+03 -0.76433E-03 -0.16541E-03 4967 0.101E-01 0.450E-01 RMM: 5 -0.323116957628E+03 0.13600E-02 -0.75381E-04 4604 0.726E-02 0.125E-01 RMM: 6 -0.323116988378E+03 -0.30750E-04 -0.23376E-04 3887 0.394E-02 0.149E-01 RMM: 7 -0.323116909338E+03 0.79040E-04 -0.11219E-04 3842 0.313E-02 0.114E-01 RMM: 8 -0.323116821278E+03 0.88061E-04 -0.47592E-05 3268 0.202E-02 0.287E-02 RMM: 9 -0.323116830802E+03 -0.95244E-05 -0.18247E-05 2536 0.123E-02 5362 T= 6142. E= 0.67799465E+03 F= 0.62718645E+03 E0= 0.65561992E+03 EK= 0.50808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322537243681E+03 0.57958E+00 -0.16542E-01 7920 0.232E+01 0.299E-01 RMM: 2 -0.322549358775E+03 -0.12115E-01 -0.89779E-02 5090 0.702E-01 0.905E-01 RMM: 3 -0.322543577113E+03 0.57817E-02 -0.97037E-03 5662 0.203E-01 0.206E-01 RMM: 4 -0.322543900924E+03 -0.32381E-03 -0.13162E-03 4766 0.887E-02 0.333E-01 RMM: 5 -0.322543202616E+03 0.69831E-03 -0.51028E-04 4545 0.605E-02 0.139E-01 RMM: 6 -0.322543108887E+03 0.93729E-04 -0.18645E-04 3895 0.360E-02 0.820E-02 RMM: 7 -0.322543148531E+03 -0.39645E-04 -0.69722E-05 3510 0.240E-02 0.115E-01 RMM: 8 -0.322543056324E+03 0.92207E-04 -0.33215E-05 2982 0.184E-02 0.251E-02 RMM: 9 -0.322543055189E+03 0.11346E-05 -0.96316E-06 2477 0.873E-03 5363 T= 6105. E= 0.67797800E+03 F= 0.62747048E+03 E0= 0.65588645E+03 EK= 0.50508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322112367142E+03 0.43069E+00 -0.16320E-01 8076 0.233E+01 0.326E-01 RMM: 2 -0.322124239696E+03 -0.11873E-01 -0.89210E-02 5161 0.698E-01 0.905E-01 RMM: 3 -0.322118446017E+03 0.57937E-02 -0.92730E-03 5614 0.199E-01 0.233E-01 RMM: 4 -0.322118760141E+03 -0.31412E-03 -0.15668E-03 4825 0.984E-02 0.351E-01 RMM: 5 -0.322118002907E+03 0.75723E-03 -0.63650E-04 4598 0.668E-02 0.165E-01 RMM: 6 -0.322117878868E+03 0.12404E-03 -0.22090E-04 3898 0.388E-02 0.107E-01 RMM: 7 -0.322117913803E+03 -0.34934E-04 -0.13251E-04 3884 0.321E-02 0.135E-01 RMM: 8 -0.322117790661E+03 0.12314E-03 -0.68574E-05 3478 0.246E-02 0.361E-02 RMM: 9 -0.322117787694E+03 0.29670E-05 -0.13094E-05 2516 0.104E-02 5364 T= 6195. E= 0.67885886E+03 F= 0.62761072E+03 E0= 0.65600483E+03 EK= 0.51248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321828378055E+03 0.28941E+00 -0.16630E-01 8028 0.236E+01 0.311E-01 RMM: 2 -0.321843767696E+03 -0.15390E-01 -0.99790E-02 5155 0.730E-01 0.107E+00 RMM: 3 -0.321835548827E+03 0.82189E-02 -0.10660E-02 5591 0.214E-01 0.218E-01 RMM: 4 -0.321835714218E+03 -0.16539E-03 -0.13555E-03 4757 0.881E-02 0.310E-01 RMM: 5 -0.321835112095E+03 0.60212E-03 -0.55579E-04 4566 0.636E-02 0.143E-01 RMM: 6 -0.321835052896E+03 0.59199E-04 -0.21096E-04 3893 0.377E-02 0.115E-01 RMM: 7 -0.321835067978E+03 -0.15082E-04 -0.10931E-04 3836 0.296E-02 5365 T= 6384. E= 0.68042690E+03 F= 0.62761527E+03 E0= 0.65598402E+03 EK= 0.52812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321666454170E+03 0.16860E+00 -0.17161E-01 8364 0.240E+01 0.306E-01 RMM: 2 -0.321678770916E+03 -0.12317E-01 -0.91972E-02 5253 0.695E-01 0.889E-01 RMM: 3 -0.321672984037E+03 0.57869E-02 -0.84619E-03 5571 0.193E-01 0.222E-01 RMM: 4 -0.321673258790E+03 -0.27475E-03 -0.13699E-03 4744 0.916E-02 0.341E-01 RMM: 5 -0.321672539222E+03 0.71957E-03 -0.68653E-04 4594 0.712E-02 0.147E-01 RMM: 6 -0.321672533005E+03 0.62168E-05 -0.24354E-04 3891 0.397E-02 0.150E-01 RMM: 7 -0.321672444901E+03 0.88104E-04 -0.12532E-04 3878 0.342E-02 0.107E-01 RMM: 8 -0.321672369382E+03 0.75519E-04 -0.44006E-05 3212 0.199E-02 0.344E-02 RMM: 9 -0.321672376662E+03 -0.72801E-05 -0.18220E-05 2546 0.123E-02 5366 T= 6610. E= 0.68219109E+03 F= 0.62750765E+03 E0= 0.65584764E+03 EK= 0.54683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321585060729E+03 0.87309E-01 -0.18452E-01 7992 0.244E+01 0.258E-01 RMM: 2 -0.321599970429E+03 -0.14910E-01 -0.11609E-01 5069 0.785E-01 0.875E-01 RMM: 3 -0.321594246613E+03 0.57238E-02 -0.11937E-02 5850 0.213E-01 0.216E-01 RMM: 4 -0.321594009212E+03 0.23740E-03 -0.10369E-03 4726 0.782E-02 0.209E-01 RMM: 5 -0.321593791020E+03 0.21819E-03 -0.40412E-04 4470 0.548E-02 0.150E-01 RMM: 6 -0.321593680212E+03 0.11081E-03 -0.18260E-04 3883 0.363E-02 0.876E-02 RMM: 7 -0.321593725052E+03 -0.44840E-04 -0.90462E-05 3688 0.269E-02 0.123E-01 RMM: 8 -0.321593620879E+03 0.10417E-03 -0.43874E-05 3208 0.205E-02 0.252E-02 RMM: 9 -0.321593620509E+03 0.37022E-06 -0.10220E-05 2485 0.904E-03 5367 T= 6789. E= 0.68349034E+03 F= 0.62732336E+03 E0= 0.65563243E+03 EK= 0.56167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321554661982E+03 0.38959E-01 -0.18670E-01 8364 0.247E+01 0.284E-01 RMM: 2 -0.321567112461E+03 -0.12450E-01 -0.10761E-01 5236 0.741E-01 0.752E-01 RMM: 3 -0.321562692590E+03 0.44199E-02 -0.98013E-03 5791 0.195E-01 0.196E-01 RMM: 4 -0.321562907723E+03 -0.21513E-03 -0.11604E-03 4727 0.856E-02 0.322E-01 RMM: 5 -0.321562239834E+03 0.66789E-03 -0.56866E-04 4570 0.638E-02 0.126E-01 RMM: 6 -0.321562258406E+03 -0.18572E-04 -0.24151E-04 3901 0.402E-02 0.142E-01 RMM: 7 -0.321562199448E+03 0.58958E-04 -0.10865E-04 3840 0.311E-02 0.114E-01 RMM: 8 -0.321562110290E+03 0.89158E-04 -0.48749E-05 3264 0.207E-02 0.345E-02 RMM: 9 -0.321562111066E+03 -0.77523E-06 -0.16883E-05 2520 0.119E-02 5368 T= 6848. E= 0.68374602E+03 F= 0.62709717E+03 E0= 0.65537424E+03 EK= 0.56649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321550055595E+03 0.12055E-01 -0.18943E-01 8100 0.247E+01 0.290E-01 RMM: 2 -0.321564719357E+03 -0.14664E-01 -0.10767E-01 5316 0.739E-01 0.948E-01 RMM: 3 -0.321557906308E+03 0.68130E-02 -0.93980E-03 5715 0.198E-01 0.217E-01 RMM: 4 -0.321557987653E+03 -0.81345E-04 -0.12044E-03 4711 0.840E-02 0.282E-01 RMM: 5 -0.321557520472E+03 0.46718E-03 -0.45960E-04 4537 0.576E-02 0.153E-01 RMM: 6 -0.321557413881E+03 0.10659E-03 -0.19376E-04 3884 0.366E-02 0.983E-02 RMM: 7 -0.321557448694E+03 -0.34812E-04 -0.10775E-04 3841 0.295E-02 0.127E-01 RMM: 8 -0.321557336991E+03 0.11170E-03 -0.52169E-05 3328 0.218E-02 0.277E-02 RMM: 9 -0.321557338942E+03 -0.19503E-05 -0.13910E-05 2511 0.107E-02 5369 T= 6759. E= 0.68276327E+03 F= 0.62684696E+03 E0= 0.65509124E+03 EK= 0.55916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321570456533E+03 -0.13120E-01 -0.18647E-01 8112 0.244E+01 0.298E-01 RMM: 2 -0.321584804805E+03 -0.14348E-01 -0.11923E-01 5087 0.782E-01 0.840E-01 RMM: 3 -0.321579522332E+03 0.52825E-02 -0.11931E-02 5641 0.222E-01 0.227E-01 RMM: 4 -0.321579728866E+03 -0.20653E-03 -0.14202E-03 4898 0.911E-02 0.321E-01 RMM: 5 -0.321579100724E+03 0.62814E-03 -0.51673E-04 4505 0.591E-02 0.152E-01 RMM: 6 -0.321578985642E+03 0.11508E-03 -0.18134E-04 3892 0.355E-02 0.895E-02 RMM: 7 -0.321579037669E+03 -0.52027E-04 -0.99213E-05 3794 0.278E-02 0.129E-01 RMM: 8 -0.321578921511E+03 0.11616E-03 -0.52524E-05 3341 0.219E-02 0.325E-02 RMM: 9 -0.321578919003E+03 0.25082E-05 -0.13150E-05 2507 0.104E-02 5370 T= 6561. E= 0.68085124E+03 F= 0.62657071E+03 E0= 0.65478213E+03 EK= 0.54281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321634897807E+03 -0.55976E-01 -0.18753E-01 7848 0.240E+01 0.310E-01 RMM: 2 -0.321650391720E+03 -0.15494E-01 -0.11983E-01 5118 0.787E-01 0.923E-01 RMM: 3 -0.321643828441E+03 0.65633E-02 -0.11813E-02 5680 0.216E-01 0.208E-01 RMM: 4 -0.321644253624E+03 -0.42518E-03 -0.14590E-03 4892 0.938E-02 0.362E-01 RMM: 5 -0.321643414586E+03 0.83904E-03 -0.51401E-04 4567 0.597E-02 0.139E-01 RMM: 6 -0.321643324711E+03 0.89875E-04 -0.16613E-04 3888 0.333E-02 0.908E-02 RMM: 7 -0.321643358848E+03 -0.34136E-04 -0.98993E-05 3777 0.277E-02 0.121E-01 RMM: 8 -0.321643259093E+03 0.99755E-04 -0.49884E-05 3295 0.214E-02 0.307E-02 RMM: 9 -0.321643257012E+03 0.20808E-05 -0.12199E-05 2498 0.100E-02 5371 T= 6333. E= 0.67864366E+03 F= 0.62625059E+03 E0= 0.65442977E+03 EK= 0.52393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321759328598E+03 -0.11607E+00 -0.17925E-01 7896 0.237E+01 0.299E-01 RMM: 2 -0.321772372455E+03 -0.13044E-01 -0.10856E-01 5152 0.743E-01 0.814E-01 RMM: 3 -0.321767391062E+03 0.49814E-02 -0.10524E-02 5618 0.210E-01 0.219E-01 RMM: 4 -0.321767734668E+03 -0.34361E-03 -0.14161E-03 4866 0.919E-02 0.342E-01 RMM: 5 -0.321766977207E+03 0.75746E-03 -0.52476E-04 4476 0.596E-02 0.133E-01 RMM: 6 -0.321766903891E+03 0.73317E-04 -0.15656E-04 3887 0.328E-02 0.922E-02 RMM: 7 -0.321766935368E+03 -0.31477E-04 -0.91450E-05 3727 0.267E-02 0.120E-01 RMM: 8 -0.321766836107E+03 0.99261E-04 -0.48721E-05 3281 0.213E-02 0.297E-02 RMM: 9 -0.321766834406E+03 0.17018E-05 -0.12045E-05 2492 0.988E-03 5372 T= 6155. E= 0.67679098E+03 F= 0.62587018E+03 E0= 0.65401921E+03 EK= 0.50921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321946270694E+03 -0.17943E+00 -0.17306E-01 8064 0.234E+01 0.299E-01 RMM: 2 -0.321960305783E+03 -0.14035E-01 -0.10440E-01 5168 0.733E-01 0.922E-01 RMM: 3 -0.321954035483E+03 0.62703E-02 -0.10360E-02 5690 0.205E-01 0.210E-01 RMM: 4 -0.321954327680E+03 -0.29220E-03 -0.13285E-03 4775 0.893E-02 0.331E-01 RMM: 5 -0.321953633664E+03 0.69402E-03 -0.48837E-04 4554 0.587E-02 0.139E-01 RMM: 6 -0.321953549476E+03 0.84188E-04 -0.16465E-04 3880 0.333E-02 0.939E-02 RMM: 7 -0.321953567701E+03 -0.18226E-04 -0.96235E-05 3746 0.277E-02 5373 T= 6082. E= 0.67573837E+03 F= 0.62542701E+03 E0= 0.65354874E+03 EK= 0.50311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322178814864E+03 -0.22527E+00 -0.17153E-01 8364 0.234E+01 0.293E-01 RMM: 2 -0.322191303203E+03 -0.12488E-01 -0.10995E-01 5119 0.745E-01 0.737E-01 RMM: 3 -0.322187334529E+03 0.39687E-02 -0.11035E-02 5781 0.205E-01 0.230E-01 RMM: 4 -0.322187557922E+03 -0.22339E-03 -0.12998E-03 4780 0.889E-02 0.341E-01 RMM: 5 -0.322186783047E+03 0.77487E-03 -0.58857E-04 4559 0.642E-02 0.118E-01 RMM: 6 -0.322186812784E+03 -0.29737E-04 -0.19787E-04 3888 0.362E-02 0.140E-01 RMM: 7 -0.322186741175E+03 0.71609E-04 -0.10938E-04 3875 0.307E-02 0.105E-01 RMM: 8 -0.322186665102E+03 0.76073E-04 -0.51656E-05 3300 0.213E-02 0.316E-02 RMM: 9 -0.322186669551E+03 -0.44497E-05 -0.14763E-05 2528 0.110E-02 5374 T= 6130. E= 0.67565016E+03 F= 0.62494019E+03 E0= 0.65303898E+03 EK= 0.50710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322419252946E+03 -0.23259E+00 -0.18541E-01 8124 0.235E+01 0.247E-01 RMM: 2 -0.322435114254E+03 -0.15861E-01 -0.13799E-01 5055 0.825E-01 0.747E-01 RMM: 3 -0.322430594378E+03 0.45199E-02 -0.13863E-02 5917 0.222E-01 0.191E-01 RMM: 4 -0.322430476414E+03 0.11796E-03 -0.10201E-03 4755 0.775E-02 0.244E-01 RMM: 5 -0.322430105262E+03 0.37115E-03 -0.38408E-04 4399 0.538E-02 0.123E-01 RMM: 6 -0.322430055825E+03 0.49437E-04 -0.17484E-04 3880 0.352E-02 0.956E-02 RMM: 7 -0.322430072024E+03 -0.16199E-04 -0.78718E-05 3592 0.255E-02 5375 T= 6281. E= 0.67640617E+03 F= 0.62444805E+03 E0= 0.65252821E+03 EK= 0.51958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322623343650E+03 -0.19329E+00 -0.18244E-01 8784 0.238E+01 0.285E-01 RMM: 2 -0.322636866570E+03 -0.13523E-01 -0.12558E-01 5322 0.782E-01 0.694E-01 RMM: 3 -0.322632989670E+03 0.38769E-02 -0.11032E-02 6012 0.201E-01 0.210E-01 RMM: 4 -0.322633054768E+03 -0.65098E-04 -0.10533E-03 4677 0.806E-02 0.308E-01 RMM: 5 -0.322632374538E+03 0.68023E-03 -0.57517E-04 4586 0.648E-02 0.101E-01 RMM: 6 -0.322632563662E+03 -0.18912E-03 -0.28950E-04 3909 0.439E-02 0.199E-01 RMM: 7 -0.322632344016E+03 0.21965E-03 -0.12891E-04 3879 0.346E-02 0.952E-02 RMM: 8 -0.322632284647E+03 0.59369E-04 -0.41248E-05 3152 0.184E-02 0.351E-02 RMM: 9 -0.322632291941E+03 -0.72941E-05 -0.20816E-05 2546 0.134E-02 5376 T= 6482. E= 0.67762769E+03 F= 0.62400361E+03 E0= 0.65207111E+03 EK= 0.53624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322728705142E+03 -0.96420E-01 -0.19184E-01 8856 0.241E+01 0.228E-01 RMM: 2 -0.322744377848E+03 -0.15673E-01 -0.13888E-01 5248 0.806E-01 0.716E-01 RMM: 3 -0.322739911358E+03 0.44665E-02 -0.11836E-02 5999 0.207E-01 0.176E-01 RMM: 4 -0.322739756298E+03 0.15506E-03 -0.81764E-04 4680 0.690E-02 0.210E-01 RMM: 5 -0.322739459504E+03 0.29679E-03 -0.31522E-04 4147 0.499E-02 0.104E-01 RMM: 6 -0.322739469097E+03 -0.95927E-05 -0.18416E-04 3885 0.364E-02 5377 T= 6660. E= 0.67875793E+03 F= 0.62366102E+03 E0= 0.65172038E+03 EK= 0.55097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322695053943E+03 0.44406E-01 -0.19980E-01 8844 0.243E+01 0.392E-01 RMM: 2 -0.322730153625E+03 -0.35100E-01 -0.15531E-01 5230 0.864E-01 0.183E+00 RMM: 3 -0.322706267795E+03 0.23886E-01 -0.17226E-02 5416 0.301E-01 0.313E-01 RMM: 4 -0.322705841213E+03 0.42658E-03 -0.21873E-03 5090 0.102E-01 0.240E-01 RMM: 5 -0.322705704454E+03 0.13676E-03 -0.71856E-04 4609 0.707E-02 0.237E-01 RMM: 6 -0.322705378518E+03 0.32594E-03 -0.33979E-04 3931 0.482E-02 0.111E-01 RMM: 7 -0.322705480846E+03 -0.10233E-03 -0.21883E-04 3902 0.408E-02 0.167E-01 RMM: 8 -0.322705298535E+03 0.18231E-03 -0.10883E-04 3788 0.311E-02 0.563E-02 RMM: 9 -0.322705283772E+03 0.14763E-04 -0.20171E-05 2596 0.132E-02 5378 T= 6744. E= 0.67925500E+03 F= 0.62346569E+03 E0= 0.65152109E+03 EK= 0.55789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322495432422E+03 0.20987E+00 -0.20766E-01 8856 0.242E+01 0.337E-01 RMM: 2 -0.322530680222E+03 -0.35248E-01 -0.15670E-01 5132 0.853E-01 0.177E+00 RMM: 3 -0.322507371795E+03 0.23308E-01 -0.16776E-02 5424 0.298E-01 0.278E-01 RMM: 4 -0.322506975751E+03 0.39604E-03 -0.19906E-03 5064 0.965E-02 0.193E-01 RMM: 5 -0.322506885404E+03 0.90347E-04 -0.41607E-04 4343 0.532E-02 0.183E-01 RMM: 6 -0.322506666969E+03 0.21844E-03 -0.17363E-04 3882 0.354E-02 0.637E-02 RMM: 7 -0.322506738895E+03 -0.71926E-04 -0.10483E-04 3794 0.268E-02 0.126E-01 RMM: 8 -0.322506636242E+03 0.10265E-03 -0.51593E-05 3304 0.222E-02 0.371E-02 RMM: 9 -0.322506628752E+03 0.74899E-05 -0.10832E-05 2491 0.943E-03 5379 T= 6698. E= 0.67884834E+03 F= 0.62343915E+03 E0= 0.65149223E+03 EK= 0.55409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322137782547E+03 0.36885E+00 -0.20775E-01 8844 0.240E+01 0.315E-01 RMM: 2 -0.322160979424E+03 -0.23197E-01 -0.15929E-01 5280 0.847E-01 0.118E+00 RMM: 3 -0.322149861245E+03 0.11118E-01 -0.14243E-02 5556 0.256E-01 0.249E-01 RMM: 4 -0.322149728567E+03 0.13268E-03 -0.16552E-03 4938 0.932E-02 0.255E-01 RMM: 5 -0.322149437298E+03 0.29127E-03 -0.48201E-04 4531 0.574E-02 0.181E-01 RMM: 6 -0.322149244343E+03 0.19296E-03 -0.19237E-04 3890 0.363E-02 0.830E-02 RMM: 7 -0.322149304274E+03 -0.59931E-04 -0.13059E-04 3877 0.310E-02 0.129E-01 RMM: 8 -0.322149191937E+03 0.11234E-03 -0.65432E-05 3424 0.243E-02 0.350E-02 RMM: 9 -0.322149187573E+03 0.43642E-05 -0.12124E-05 2503 0.101E-02 5380 T= 6542. E= 0.67769218E+03 F= 0.62357411E+03 E0= 0.65162421E+03 EK= 0.54118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321652500737E+03 0.49669E+00 -0.20637E-01 8820 0.236E+01 0.272E-01 RMM: 2 -0.321670207324E+03 -0.17707E-01 -0.16136E-01 5410 0.845E-01 0.718E-01 RMM: 3 -0.321665113104E+03 0.50942E-02 -0.12463E-02 5747 0.229E-01 0.215E-01 RMM: 4 -0.321665248784E+03 -0.13568E-03 -0.12452E-03 4837 0.847E-02 0.304E-01 RMM: 5 -0.321664651072E+03 0.59771E-03 -0.43140E-04 4404 0.548E-02 0.119E-01 RMM: 6 -0.321664593943E+03 0.57129E-04 -0.13489E-04 3876 0.309E-02 0.832E-02 RMM: 7 -0.321664618114E+03 -0.24171E-04 -0.75271E-05 3572 0.235E-02 0.109E-01 RMM: 8 -0.321664537373E+03 0.80740E-04 -0.42464E-05 3175 0.203E-02 0.276E-02 RMM: 9 -0.321664535992E+03 0.13817E-05 -0.11243E-05 2485 0.963E-03 5381 T= 6339. E= 0.67627631E+03 F= 0.62383809E+03 E0= 0.65188259E+03 EK= 0.52438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321086138865E+03 0.57840E+00 -0.20565E-01 8892 0.233E+01 0.277E-01 RMM: 2 -0.321103755228E+03 -0.17616E-01 -0.15762E-01 5469 0.831E-01 0.747E-01 RMM: 3 -0.321098324392E+03 0.54308E-02 -0.11639E-02 5705 0.221E-01 0.206E-01 RMM: 4 -0.321098496748E+03 -0.17236E-03 -0.13401E-03 4884 0.877E-02 0.303E-01 RMM: 5 -0.321097925611E+03 0.57114E-03 -0.41331E-04 4217 0.529E-02 0.129E-01 RMM: 6 -0.321097840374E+03 0.85236E-04 -0.12787E-04 3865 0.304E-02 0.754E-02 RMM: 7 -0.321097877831E+03 -0.37456E-04 -0.84740E-05 3664 0.249E-02 0.111E-01 RMM: 8 -0.321097792746E+03 0.85085E-04 -0.45037E-05 3202 0.209E-02 0.260E-02 RMM: 9 -0.321097791623E+03 0.11232E-05 -0.10523E-05 2482 0.923E-03 5382 T= 6164. E= 0.67518050E+03 F= 0.62418617E+03 E0= 0.65222189E+03 EK= 0.50994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320483003342E+03 0.61479E+00 -0.20704E-01 8784 0.230E+01 0.284E-01 RMM: 2 -0.320502454481E+03 -0.19451E-01 -0.16761E-01 5334 0.873E-01 0.836E-01 RMM: 3 -0.320496382290E+03 0.60722E-02 -0.14031E-02 5762 0.236E-01 0.210E-01 RMM: 4 -0.320496508516E+03 -0.12623E-03 -0.13627E-03 4890 0.885E-02 0.305E-01 RMM: 5 -0.320495927635E+03 0.58088E-03 -0.41690E-04 4264 0.524E-02 0.134E-01 RMM: 6 -0.320495826430E+03 0.10120E-03 -0.12705E-04 3860 0.303E-02 0.683E-02 RMM: 7 -0.320495876590E+03 -0.50159E-04 -0.87322E-05 3677 0.249E-02 0.115E-01 RMM: 8 -0.320495786272E+03 0.90318E-04 -0.46287E-05 3222 0.212E-02 0.302E-02 RMM: 9 -0.320495782863E+03 0.34088E-05 -0.11627E-05 2490 0.980E-03 5383 T= 6078. E= 0.67485327E+03 F= 0.62457281E+03 E0= 0.65259700E+03 EK= 0.50280E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319885192533E+03 0.61059E+00 -0.20710E-01 8640 0.230E+01 0.269E-01 RMM: 2 -0.319905247701E+03 -0.20055E-01 -0.17924E-01 5250 0.918E-01 0.769E-01 RMM: 3 -0.319899979212E+03 0.52685E-02 -0.15482E-02 5837 0.239E-01 0.194E-01 RMM: 4 -0.319900038134E+03 -0.58922E-04 -0.13090E-03 4946 0.872E-02 0.292E-01 RMM: 5 -0.319899514349E+03 0.52378E-03 -0.37252E-04 4091 0.489E-02 0.129E-01 RMM: 6 -0.319899432334E+03 0.82015E-04 -0.13330E-04 3862 0.313E-02 0.760E-02 RMM: 7 -0.319899474624E+03 -0.42290E-04 -0.80194E-05 3622 0.245E-02 0.114E-01 RMM: 8 -0.319899384067E+03 0.90557E-04 -0.42803E-05 3146 0.205E-02 0.263E-02 RMM: 9 -0.319899383118E+03 0.94929E-06 -0.12149E-05 2486 0.100E-02 5384 T= 6110. E= 0.67550235E+03 F= 0.62495911E+03 E0= 0.65297049E+03 EK= 0.50543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319327948696E+03 0.57144E+00 -0.19569E-01 8688 0.232E+01 0.265E-01 RMM: 2 -0.319347357881E+03 -0.19409E-01 -0.16188E-01 5310 0.864E-01 0.857E-01 RMM: 3 -0.319341124968E+03 0.62329E-02 -0.13549E-02 5793 0.229E-01 0.194E-01 RMM: 4 -0.319341133086E+03 -0.81180E-05 -0.12138E-03 4812 0.829E-02 0.262E-01 RMM: 5 -0.319340714059E+03 0.41903E-03 -0.34700E-04 4091 0.480E-02 0.127E-01 RMM: 6 -0.319340626874E+03 0.87186E-04 -0.11455E-04 3818 0.293E-02 0.696E-02 RMM: 7 -0.319340666374E+03 -0.39500E-04 -0.81918E-05 3660 0.244E-02 0.109E-01 RMM: 8 -0.319340584660E+03 0.81714E-04 -0.42701E-05 3165 0.207E-02 0.261E-02 RMM: 9 -0.319340583550E+03 0.11098E-05 -0.11302E-05 2482 0.959E-03 5385 T= 6255. E= 0.67706127E+03 F= 0.62531503E+03 E0= 0.65331383E+03 EK= 0.51746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318830338430E+03 0.51025E+00 -0.19336E-01 8652 0.235E+01 0.245E-01 RMM: 2 -0.318847143040E+03 -0.16805E-01 -0.14664E-01 5432 0.807E-01 0.751E-01 RMM: 3 -0.318842119395E+03 0.50236E-02 -0.11484E-02 5867 0.207E-01 0.174E-01 RMM: 4 -0.318842140221E+03 -0.20826E-04 -0.99952E-04 4694 0.744E-02 0.249E-01 RMM: 5 -0.318841754286E+03 0.38594E-03 -0.30325E-04 3959 0.452E-02 0.115E-01 RMM: 6 -0.318841707243E+03 0.47042E-04 -0.13438E-04 3858 0.317E-02 0.860E-02 RMM: 7 -0.318841724564E+03 -0.17321E-04 -0.66357E-05 3492 0.231E-02 5386 T= 6474. E= 0.67917933E+03 F= 0.62561952E+03 E0= 0.65360766E+03 EK= 0.53560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318395049235E+03 0.44666E+00 -0.20414E-01 8568 0.240E+01 0.249E-01 RMM: 2 -0.318412776165E+03 -0.17727E-01 -0.15627E-01 5171 0.875E-01 0.742E-01 RMM: 3 -0.318408143736E+03 0.46324E-02 -0.14443E-02 6001 0.227E-01 0.202E-01 RMM: 4 -0.318407923411E+03 0.22033E-03 -0.10009E-03 4773 0.765E-02 0.221E-01 RMM: 5 -0.318407594463E+03 0.32895E-03 -0.34801E-04 4197 0.498E-02 0.103E-01 RMM: 6 -0.318407604740E+03 -0.10277E-04 -0.14028E-04 3876 0.319E-02 5387 T= 6696. E= 0.68126188E+03 F= 0.62586798E+03 E0= 0.65384932E+03 EK= 0.55394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318012359928E+03 0.39523E+00 -0.20866E-01 8532 0.243E+01 0.348E-01 RMM: 2 -0.318041608265E+03 -0.29248E-01 -0.15799E-01 5015 0.912E-01 0.153E+00 RMM: 3 -0.318024803366E+03 0.16805E-01 -0.18510E-02 5437 0.311E-01 0.287E-01 RMM: 4 -0.318024258099E+03 0.54527E-03 -0.18255E-03 4935 0.867E-02 0.150E-01 RMM: 5 -0.318024226620E+03 0.31479E-04 -0.41424E-04 4431 0.544E-02 0.166E-01 RMM: 6 -0.318024063596E+03 0.16302E-03 -0.20376E-04 3882 0.386E-02 0.798E-02 RMM: 7 -0.318024139576E+03 -0.75981E-04 -0.11166E-04 3852 0.288E-02 0.133E-01 RMM: 8 -0.318024019345E+03 0.12023E-03 -0.55226E-05 3359 0.228E-02 0.421E-02 RMM: 9 -0.318024011757E+03 0.75872E-05 -0.15365E-05 2522 0.116E-02 5388 T= 6836. E= 0.68262797E+03 F= 0.62607371E+03 E0= 0.65405099E+03 EK= 0.56554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317651311769E+03 0.37271E+00 -0.20772E-01 8844 0.245E+01 0.337E-01 RMM: 2 -0.317679919044E+03 -0.28607E-01 -0.13570E-01 5079 0.835E-01 0.157E+00 RMM: 3 -0.317661952496E+03 0.17967E-01 -0.16128E-02 5397 0.295E-01 0.313E-01 RMM: 4 -0.317661281816E+03 0.67068E-03 -0.18306E-03 4930 0.893E-02 0.133E-01 RMM: 5 -0.317661253478E+03 0.28338E-04 -0.33705E-04 4147 0.482E-02 0.146E-01 RMM: 6 -0.317661124447E+03 0.12903E-03 -0.12210E-04 3861 0.304E-02 0.609E-02 RMM: 7 -0.317661175572E+03 -0.51125E-04 -0.83501E-05 3605 0.241E-02 0.109E-01 RMM: 8 -0.317661094372E+03 0.81200E-04 -0.46661E-05 3176 0.220E-02 0.250E-02 RMM: 9 -0.317661092644E+03 0.17276E-05 -0.89572E-06 2478 0.852E-03 5389 T= 6834. E= 0.68280398E+03 F= 0.62626492E+03 E0= 0.65424192E+03 EK= 0.56539E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317272873923E+03 0.38822E+00 -0.20757E-01 8580 0.244E+01 0.266E-01 RMM: 2 -0.317293761528E+03 -0.20888E-01 -0.13819E-01 5176 0.829E-01 0.113E+00 RMM: 3 -0.317284067598E+03 0.96939E-02 -0.13175E-02 5660 0.239E-01 0.219E-01 RMM: 4 -0.317283786516E+03 0.28108E-03 -0.11830E-03 4761 0.774E-02 0.178E-01 RMM: 5 -0.317283602596E+03 0.18392E-03 -0.32446E-04 4164 0.489E-02 0.120E-01 RMM: 6 -0.317283556295E+03 0.46301E-04 -0.13382E-04 3875 0.311E-02 0.950E-02 RMM: 7 -0.317283554558E+03 0.17365E-05 -0.81893E-05 3656 0.253E-02 5390 T= 6687. E= 0.68179394E+03 F= 0.62647510E+03 E0= 0.65445413E+03 EK= 0.55319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316857174486E+03 0.42638E+00 -0.20212E-01 8868 0.241E+01 0.239E-01 RMM: 2 -0.316873101169E+03 -0.15927E-01 -0.14089E-01 5134 0.829E-01 0.706E-01 RMM: 3 -0.316868785740E+03 0.43154E-02 -0.13806E-02 5939 0.221E-01 0.181E-01 RMM: 4 -0.316868640562E+03 0.14518E-03 -0.96564E-04 4763 0.745E-02 0.227E-01 RMM: 5 -0.316868288585E+03 0.35198E-03 -0.31775E-04 4085 0.472E-02 0.941E-02 RMM: 6 -0.316868339706E+03 -0.51121E-04 -0.15292E-04 3883 0.330E-02 0.132E-01 RMM: 7 -0.316868275713E+03 0.63993E-04 -0.83670E-05 3681 0.262E-02 0.994E-02 RMM: 8 -0.316868209608E+03 0.66105E-04 -0.36837E-05 3071 0.185E-02 0.266E-02 RMM: 9 -0.316868215269E+03 -0.56615E-05 -0.15556E-05 2511 0.113E-02 5391 T= 6451. E= 0.68009002E+03 F= 0.62672616E+03 E0= 0.65470943E+03 EK= 0.53364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316400593333E+03 0.46762E+00 -0.20644E-01 8448 0.237E+01 0.215E-01 RMM: 2 -0.316418362580E+03 -0.17769E-01 -0.15170E-01 5204 0.848E-01 0.767E-01 RMM: 3 -0.316413232667E+03 0.51299E-02 -0.13978E-02 5877 0.219E-01 0.161E-01 RMM: 4 -0.316413056505E+03 0.17616E-03 -0.88771E-04 4795 0.704E-02 0.196E-01 RMM: 5 -0.316412804919E+03 0.25159E-03 -0.22026E-04 3914 0.404E-02 0.882E-02 RMM: 6 -0.316412784994E+03 0.19926E-04 -0.97971E-05 3684 0.277E-02 5392 T= 6212. E= 0.67841156E+03 F= 0.62702002E+03 E0= 0.65500855E+03 EK= 0.51392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315915543484E+03 0.49726E+00 -0.20152E-01 8712 0.234E+01 0.358E-01 RMM: 2 -0.315949464602E+03 -0.33921E-01 -0.14029E-01 5047 0.837E-01 0.179E+00 RMM: 3 -0.315925998722E+03 0.23466E-01 -0.17462E-02 5402 0.305E-01 0.267E-01 RMM: 4 -0.315925687477E+03 0.31124E-03 -0.20266E-03 5101 0.927E-02 0.204E-01 RMM: 5 -0.315925554968E+03 0.13251E-03 -0.39988E-04 4139 0.489E-02 0.186E-01 RMM: 6 -0.315925347468E+03 0.20750E-03 -0.19464E-04 3884 0.376E-02 0.861E-02 RMM: 7 -0.315925448693E+03 -0.10122E-03 -0.15417E-04 3888 0.329E-02 0.151E-01 RMM: 8 -0.315925293208E+03 0.15548E-03 -0.83135E-05 3607 0.270E-02 0.396E-02 RMM: 9 -0.315925286690E+03 0.65186E-05 -0.14913E-05 2530 0.114E-02 5393 T= 6050. E= 0.67739871E+03 F= 0.62734937E+03 E0= 0.65534347E+03 EK= 0.50049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315403205823E+03 0.52209E+00 -0.20131E-01 8916 0.233E+01 0.300E-01 RMM: 2 -0.315430672013E+03 -0.27466E-01 -0.12644E-01 5056 0.774E-01 0.154E+00 RMM: 3 -0.315412895100E+03 0.17777E-01 -0.14130E-02 5414 0.271E-01 0.240E-01 RMM: 4 -0.315412557572E+03 0.33753E-03 -0.16239E-03 4888 0.859E-02 0.157E-01 RMM: 5 -0.315412473146E+03 0.84427E-04 -0.26260E-04 3890 0.413E-02 0.138E-01 RMM: 6 -0.315412352255E+03 0.12089E-03 -0.96664E-05 3726 0.280E-02 0.512E-02 RMM: 7 -0.315412399453E+03 -0.47198E-04 -0.66051E-05 3440 0.215E-02 0.104E-01 RMM: 8 -0.315412325528E+03 0.73925E-04 -0.42075E-05 3055 0.211E-02 0.236E-02 RMM: 9 -0.315412324248E+03 0.12797E-05 -0.93733E-06 2474 0.860E-03 5394 T= 6011. E= 0.67743826E+03 F= 0.62770906E+03 E0= 0.65571008E+03 EK= 0.49729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314855856236E+03 0.55647E+00 -0.21473E-01 8880 0.234E+01 0.240E-01 RMM: 2 -0.314874351540E+03 -0.18495E-01 -0.12959E-01 5111 0.786E-01 0.101E+00 RMM: 3 -0.314866249974E+03 0.81016E-02 -0.12048E-02 5574 0.231E-01 0.196E-01 RMM: 4 -0.314866049833E+03 0.20014E-03 -0.10717E-03 4746 0.726E-02 0.168E-01 RMM: 5 -0.314865899732E+03 0.15010E-03 -0.23668E-04 3902 0.410E-02 0.119E-01 RMM: 6 -0.314865829598E+03 0.70134E-04 -0.10532E-04 3770 0.283E-02 0.755E-02 RMM: 7 -0.314865864752E+03 -0.35154E-04 -0.95234E-05 3762 0.268E-02 0.110E-01 RMM: 8 -0.314865782546E+03 0.82206E-04 -0.49797E-05 3272 0.216E-02 0.253E-02 RMM: 9 -0.314865782844E+03 -0.29795E-06 -0.11735E-05 2488 0.995E-03 5395 T= 6106. E= 0.67862124E+03 F= 0.62810895E+03 E0= 0.65611761E+03 EK= 0.50512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314244793301E+03 0.62099E+00 -0.21796E-01 9048 0.238E+01 0.188E-01 RMM: 2 -0.314258486958E+03 -0.13694E-01 -0.12605E-01 5236 0.750E-01 0.588E-01 RMM: 3 -0.314255015955E+03 0.34710E-02 -0.10418E-02 5946 0.194E-01 0.139E-01 RMM: 4 -0.314254897701E+03 0.11825E-03 -0.63631E-04 4641 0.594E-02 0.174E-01 RMM: 5 -0.314254679758E+03 0.21794E-03 -0.17908E-04 3884 0.365E-02 0.755E-02 RMM: 6 -0.314254710300E+03 -0.30541E-04 -0.11851E-04 3832 0.292E-02 0.106E-01 RMM: 7 -0.314254656549E+03 0.53750E-04 -0.58568E-05 3362 0.222E-02 0.718E-02 RMM: 8 -0.314254622725E+03 0.33824E-04 -0.22635E-05 2596 0.145E-02 0.227E-02 RMM: 9 -0.314254625741E+03 -0.30158E-05 -0.12607E-05 2471 0.103E-02 5396 T= 6305. E= 0.68074167E+03 F= 0.62858145E+03 E0= 0.65659804E+03 EK= 0.52160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313520839090E+03 0.73378E+00 -0.23234E-01 8856 0.244E+01 0.180E-01 RMM: 2 -0.313536055927E+03 -0.15217E-01 -0.14229E-01 5261 0.810E-01 0.575E-01 RMM: 3 -0.313532793632E+03 0.32623E-02 -0.11942E-02 6069 0.198E-01 0.144E-01 RMM: 4 -0.313532558677E+03 0.23496E-03 -0.64963E-04 4635 0.620E-02 0.154E-01 RMM: 5 -0.313532386864E+03 0.17181E-03 -0.17299E-04 3887 0.369E-02 0.747E-02 RMM: 6 -0.313532419571E+03 -0.32707E-04 -0.91973E-05 3700 0.257E-02 0.108E-01 RMM: 7 -0.313532367786E+03 0.51785E-04 -0.68583E-05 3566 0.236E-02 0.772E-02 RMM: 8 -0.313532327593E+03 0.40193E-04 -0.27939E-05 2838 0.161E-02 0.224E-02 RMM: 9 -0.313532331926E+03 -0.43336E-05 -0.14375E-05 2481 0.109E-02 5397 T= 6544. E= 0.68330942E+03 F= 0.62917369E+03 E0= 0.65719765E+03 EK= 0.54136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312647709472E+03 0.88462E+00 -0.24414E-01 8976 0.249E+01 0.195E-01 RMM: 2 -0.312663264991E+03 -0.15556E-01 -0.14207E-01 5299 0.816E-01 0.653E-01 RMM: 3 -0.312659507498E+03 0.37575E-02 -0.11982E-02 6254 0.201E-01 0.139E-01 RMM: 4 -0.312659300012E+03 0.20749E-03 -0.60828E-04 4637 0.590E-02 0.165E-01 RMM: 5 -0.312659103970E+03 0.19604E-03 -0.15982E-04 3884 0.345E-02 0.785E-02 RMM: 6 -0.312659124705E+03 -0.20735E-04 -0.10953E-04 3797 0.279E-02 0.104E-01 RMM: 7 -0.312659076660E+03 0.48045E-04 -0.76023E-05 3641 0.240E-02 0.774E-02 RMM: 8 -0.312659037485E+03 0.39175E-04 -0.25951E-05 2696 0.153E-02 0.246E-02 RMM: 9 -0.312659041004E+03 -0.35183E-05 -0.13676E-05 2480 0.107E-02 5398 T= 6736. E= 0.68564694E+03 F= 0.62992528E+03 E0= 0.65795507E+03 EK= 0.55722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311625360253E+03 0.10337E+01 -0.27068E-01 8688 0.252E+01 0.213E-01 RMM: 2 -0.311645714371E+03 -0.20354E-01 -0.18198E-01 5175 0.943E-01 0.757E-01 RMM: 3 -0.311640845761E+03 0.48686E-02 -0.16645E-02 6106 0.235E-01 0.153E-01 RMM: 4 -0.311640549575E+03 0.29619E-03 -0.85405E-04 4806 0.701E-02 0.175E-01 RMM: 5 -0.311640344010E+03 0.20557E-03 -0.18185E-04 3891 0.350E-02 0.865E-02 RMM: 6 -0.311640335074E+03 0.89359E-05 -0.81919E-05 3565 0.248E-02 5399 T= 6806. E= 0.68713435E+03 F= 0.63082973E+03 E0= 0.65886327E+03 EK= 0.56305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310547787002E+03 0.10926E+01 -0.27368E-01 8904 0.252E+01 0.406E-01 RMM: 2 -0.310590768345E+03 -0.42981E-01 -0.17222E-01 5245 0.938E-01 0.207E+00 RMM: 3 -0.310560787801E+03 0.29981E-01 -0.21428E-02 5386 0.340E-01 0.330E-01 RMM: 4 -0.310560175434E+03 0.61237E-03 -0.23830E-03 5064 0.971E-02 0.178E-01 RMM: 5 -0.310560070694E+03 0.10474E-03 -0.32783E-04 3922 0.417E-02 0.164E-01 RMM: 6 -0.310559911459E+03 0.15923E-03 -0.14413E-04 3884 0.326E-02 0.856E-02 RMM: 7 -0.310560001020E+03 -0.89561E-04 -0.16090E-04 3880 0.338E-02 0.146E-01 RMM: 8 -0.310559866163E+03 0.13486E-03 -0.11025E-04 3858 0.288E-02 0.549E-02 RMM: 9 -0.310559846748E+03 0.19415E-04 -0.18475E-05 2569 0.127E-02 5400 T= 6735. E= 0.68751497E+03 F= 0.63180225E+03 E0= 0.65983927E+03 EK= 0.55713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309571320701E+03 0.98855E+00 -0.26672E-01 8880 0.249E+01 0.445E-01 RMM: 2 -0.309625425926E+03 -0.54105E-01 -0.19255E-01 5117 0.103E+00 0.239E+00 RMM: 3 -0.309585830259E+03 0.39596E-01 -0.26103E-02 5423 0.372E-01 0.402E-01 RMM: 4 -0.309584705732E+03 0.11245E-02 -0.31425E-03 5281 0.119E-01 0.175E-01 RMM: 5 -0.309584775765E+03 -0.70032E-04 -0.44078E-04 4001 0.474E-02 0.210E-01 RMM: 6 -0.309584472191E+03 0.30357E-03 -0.14462E-04 3855 0.329E-02 0.481E-02 RMM: 7 -0.309584490188E+03 -0.17997E-04 -0.44793E-05 3138 0.179E-02 5401 T= 6568. E= 0.68700646E+03 F= 0.63267501E+03 E0= 0.66071534E+03 EK= 0.54331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308885024789E+03 0.69945E+00 -0.23161E-01 8520 0.244E+01 0.322E-01 RMM: 2 -0.308914089222E+03 -0.29064E-01 -0.15674E-01 5127 0.914E-01 0.152E+00 RMM: 3 -0.308897799234E+03 0.16290E-01 -0.18000E-02 5499 0.286E-01 0.302E-01 RMM: 4 -0.308897258594E+03 0.54064E-03 -0.18327E-03 4948 0.925E-02 0.177E-01 RMM: 5 -0.308897120467E+03 0.13813E-03 -0.28032E-04 4045 0.369E-02 0.131E-01 RMM: 6 -0.308897023680E+03 0.96787E-04 -0.84980E-05 3583 0.259E-02 0.663E-02 RMM: 7 -0.308897083542E+03 -0.59862E-04 -0.91053E-05 3755 0.249E-02 0.118E-01 RMM: 8 -0.308896998193E+03 0.85348E-04 -0.70042E-05 3526 0.240E-02 0.418E-02 RMM: 9 -0.308896990437E+03 0.77561E-05 -0.15634E-05 2524 0.119E-02 5402 T= 6389. E= 0.68612185E+03 F= 0.63326480E+03 E0= 0.66131075E+03 EK= 0.52857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308588082589E+03 0.30892E+00 -0.20229E-01 8136 0.241E+01 0.282E-01 RMM: 2 -0.308609825624E+03 -0.21743E-01 -0.13582E-01 4993 0.861E-01 0.125E+00 RMM: 3 -0.308598943253E+03 0.10882E-01 -0.15300E-02 5665 0.256E-01 0.228E-01 RMM: 4 -0.308598630227E+03 0.31303E-03 -0.12945E-03 4786 0.791E-02 0.185E-01 RMM: 5 -0.308598479012E+03 0.15121E-03 -0.24779E-04 3902 0.390E-02 0.133E-01 RMM: 6 -0.308598363105E+03 0.11591E-03 -0.90948E-05 3606 0.273E-02 0.486E-02 RMM: 7 -0.308598383209E+03 -0.20104E-04 -0.46130E-05 3131 0.194E-02 0.792E-02 RMM: 8 -0.308598337459E+03 0.45750E-04 -0.41504E-05 2829 0.187E-02 0.286E-02 RMM: 9 -0.308598334630E+03 0.28285E-05 -0.13875E-05 2473 0.113E-02 5403 T= 6274. E= 0.68537009E+03 F= 0.63347065E+03 E0= 0.66152502E+03 EK= 0.51899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308642426808E+03 -0.44089E-01 -0.20807E-01 8484 0.239E+01 0.199E-01 RMM: 2 -0.308657243675E+03 -0.14817E-01 -0.12963E-01 4996 0.821E-01 0.688E-01 RMM: 3 -0.308653436910E+03 0.38068E-02 -0.13715E-02 5955 0.218E-01 0.153E-01 RMM: 4 -0.308653183853E+03 0.25306E-03 -0.73501E-04 4699 0.643E-02 0.158E-01 RMM: 5 -0.308653017606E+03 0.16625E-03 -0.15573E-04 3892 0.340E-02 0.748E-02 RMM: 6 -0.308653009933E+03 0.76730E-05 -0.59173E-05 3321 0.217E-02 5404 T= 6253. E= 0.68506061E+03 F= 0.63332845E+03 E0= 0.66139464E+03 EK= 0.51732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308906308625E+03 -0.25329E+00 -0.23429E-01 8868 0.240E+01 0.337E-01 RMM: 2 -0.308939073906E+03 -0.32765E-01 -0.15429E-01 5220 0.894E-01 0.171E+00 RMM: 3 -0.308918508693E+03 0.20565E-01 -0.18001E-02 5416 0.303E-01 0.297E-01 RMM: 4 -0.308917900301E+03 0.60839E-03 -0.18613E-03 4974 0.839E-02 0.138E-01 RMM: 5 -0.308917819003E+03 0.81298E-04 -0.24303E-04 3916 0.415E-02 0.127E-01 RMM: 6 -0.308917735367E+03 0.83636E-04 -0.10198E-04 3746 0.276E-02 0.836E-02 RMM: 7 -0.308917824688E+03 -0.89321E-04 -0.13677E-04 3880 0.316E-02 0.145E-01 RMM: 8 -0.308917681635E+03 0.14305E-03 -0.87128E-05 3642 0.258E-02 0.444E-02 RMM: 9 -0.308917675525E+03 0.61098E-05 -0.22377E-05 2602 0.140E-02 5405 T= 6318. E= 0.68524834E+03 F= 0.63298197E+03 E0= 0.66106213E+03 EK= 0.52266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309207726522E+03 -0.29004E+00 -0.28041E-01 9072 0.242E+01 0.317E-01 RMM: 2 -0.309241046730E+03 -0.33320E-01 -0.18921E-01 5131 0.971E-01 0.155E+00 RMM: 3 -0.309223479941E+03 0.17567E-01 -0.20511E-02 5502 0.305E-01 0.298E-01 RMM: 4 -0.309222809797E+03 0.67014E-03 -0.19859E-03 5004 0.944E-02 0.148E-01 RMM: 5 -0.309222667948E+03 0.14185E-03 -0.26697E-04 3918 0.392E-02 0.106E-01 RMM: 6 -0.309222618131E+03 0.49817E-04 -0.65566E-05 3479 0.228E-02 0.690E-02 RMM: 7 -0.309222636219E+03 -0.18088E-04 -0.77118E-05 3612 0.223E-02 5406 T= 6427. E= 0.68576594E+03 F= 0.63260119E+03 E0= 0.66069662E+03 EK= 0.53165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309418386591E+03 -0.19577E+00 -0.32190E-01 9060 0.244E+01 0.287E-01 RMM: 2 -0.309450280480E+03 -0.31894E-01 -0.20629E-01 5225 0.991E-01 0.141E+00 RMM: 3 -0.309435806272E+03 0.14474E-01 -0.20329E-02 5645 0.286E-01 0.281E-01 RMM: 4 -0.309435138683E+03 0.66759E-03 -0.14936E-03 4895 0.802E-02 0.144E-01 RMM: 5 -0.309435016574E+03 0.12211E-03 -0.20398E-04 3943 0.367E-02 0.114E-01 RMM: 6 -0.309435015249E+03 0.13244E-05 -0.98404E-05 3729 0.262E-02 5407 T= 6527. E= 0.68631616E+03 F= 0.63231900E+03 E0= 0.66042934E+03 EK= 0.53997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309470080228E+03 -0.35064E-01 -0.36609E-01 8976 0.245E+01 0.471E-01 RMM: 2 -0.309534354657E+03 -0.64274E-01 -0.23601E-01 5052 0.106E+00 0.256E+00 RMM: 3 -0.309488143741E+03 0.46211E-01 -0.32651E-02 5393 0.421E-01 0.398E-01 RMM: 4 -0.309486996709E+03 0.11470E-02 -0.36717E-03 5663 0.110E-01 0.151E-01 RMM: 5 -0.309486875435E+03 0.12127E-03 -0.31732E-04 3936 0.411E-02 0.141E-01 RMM: 6 -0.309486768998E+03 0.10644E-03 -0.10160E-04 3725 0.281E-02 0.849E-02 RMM: 7 -0.309486843471E+03 -0.74473E-04 -0.11885E-04 3876 0.288E-02 0.137E-01 RMM: 8 -0.309486734804E+03 0.10867E-03 -0.10634E-04 3843 0.248E-02 0.712E-02 RMM: 9 -0.309486706081E+03 0.28723E-04 -0.35778E-05 3007 0.173E-02 0.340E-02 RMM: 10 -0.309486713167E+03 -0.70862E-05 -0.16096E-05 2510 0.125E-02 5408 T= 6576. E= 0.68660581E+03 F= 0.63220334E+03 E0= 0.66032973E+03 EK= 0.54402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309350326796E+03 0.13638E+00 -0.43916E-01 8904 0.244E+01 0.426E-01 RMM: 2 -0.309406332313E+03 -0.56006E-01 -0.26304E-01 4923 0.109E+00 0.220E+00 RMM: 3 -0.309371687207E+03 0.34645E-01 -0.29882E-02 5399 0.399E-01 0.424E-01 RMM: 4 -0.309370432923E+03 0.12543E-02 -0.34078E-03 5456 0.116E-01 0.157E-01 RMM: 5 -0.309370383562E+03 0.49360E-04 -0.44240E-04 4071 0.492E-02 0.157E-01 RMM: 6 -0.309370219111E+03 0.16445E-03 -0.13895E-04 3865 0.311E-02 0.632E-02 RMM: 7 -0.309370256911E+03 -0.37800E-04 -0.70398E-05 3508 0.217E-02 0.102E-01 RMM: 8 -0.309370201878E+03 0.55033E-04 -0.67698E-05 3588 0.228E-02 0.496E-02 RMM: 9 -0.309370190926E+03 0.10952E-04 -0.22291E-05 2606 0.136E-02 5409 T= 6555. E= 0.68648538E+03 F= 0.63226157E+03 E0= 0.66040080E+03 EK= 0.54224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309098576358E+03 0.27163E+00 -0.50655E-01 8976 0.243E+01 0.250E-01 RMM: 2 -0.309131423585E+03 -0.32847E-01 -0.26258E-01 5118 0.109E+00 0.109E+00 RMM: 3 -0.309121195636E+03 0.10228E-01 -0.21672E-02 5821 0.291E-01 0.217E-01 RMM: 4 -0.309120716984E+03 0.47865E-03 -0.14423E-03 4916 0.830E-02 0.153E-01 RMM: 5 -0.309120606899E+03 0.11008E-03 -0.23159E-04 4014 0.352E-02 0.113E-01 RMM: 6 -0.309120541302E+03 0.65597E-04 -0.79552E-05 3516 0.247E-02 0.661E-02 RMM: 7 -0.309120610230E+03 -0.68929E-04 -0.10995E-04 3872 0.274E-02 0.124E-01 RMM: 8 -0.309120505944E+03 0.10429E-03 -0.58632E-05 3340 0.216E-02 0.287E-02 RMM: 9 -0.309120503312E+03 0.26327E-05 -0.13789E-05 2492 0.110E-02 5410 T= 6475. E= 0.68602086E+03 F= 0.63245844E+03 E0= 0.66060819E+03 EK= 0.53562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308776669312E+03 0.34384E+00 -0.53957E-01 8892 0.240E+01 0.246E-01 RMM: 2 -0.308810940628E+03 -0.34271E-01 -0.27527E-01 5138 0.112E+00 0.109E+00 RMM: 3 -0.308800287257E+03 0.10653E-01 -0.22534E-02 5897 0.290E-01 0.177E-01 RMM: 4 -0.308799899529E+03 0.38773E-03 -0.13862E-03 4946 0.827E-02 0.163E-01 RMM: 5 -0.308799750379E+03 0.14915E-03 -0.22638E-04 4001 0.349E-02 0.991E-02 RMM: 6 -0.308799699577E+03 0.50802E-04 -0.65601E-05 3376 0.226E-02 0.569E-02 RMM: 7 -0.308799742308E+03 -0.42730E-04 -0.74760E-05 3647 0.232E-02 0.101E-01 RMM: 8 -0.308799674341E+03 0.67967E-04 -0.44046E-05 3096 0.194E-02 0.265E-02 RMM: 9 -0.308799673199E+03 0.11412E-05 -0.12623E-05 2486 0.103E-02 5411 T= 6372. E= 0.68544935E+03 F= 0.63273191E+03 E0= 0.66088928E+03 EK= 0.52717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308457204777E+03 0.34247E+00 -0.53247E-01 8940 0.239E+01 0.207E-01 RMM: 2 -0.308486044766E+03 -0.28840E-01 -0.26467E-01 5342 0.110E+00 0.727E-01 RMM: 3 -0.308480309300E+03 0.57355E-02 -0.20020E-02 6031 0.264E-01 0.159E-01 RMM: 4 -0.308479993536E+03 0.31576E-03 -0.10759E-03 4854 0.747E-02 0.170E-01 RMM: 5 -0.308479814380E+03 0.17916E-03 -0.19043E-04 3951 0.340E-02 0.852E-02 RMM: 6 -0.308479789538E+03 0.24843E-04 -0.59527E-05 3303 0.217E-02 0.659E-02 RMM: 7 -0.308479822470E+03 -0.32933E-04 -0.77936E-05 3712 0.238E-02 0.968E-02 RMM: 8 -0.308479760598E+03 0.61872E-04 -0.39024E-05 3062 0.186E-02 0.221E-02 RMM: 9 -0.308479762923E+03 -0.23250E-05 -0.12323E-05 2482 0.103E-02 5412 T= 6292. E= 0.68505965E+03 F= 0.63301004E+03 E0= 0.66117239E+03 EK= 0.52050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308210582187E+03 0.26918E+00 -0.46511E-01 8952 0.238E+01 0.219E-01 RMM: 2 -0.308237929586E+03 -0.27347E-01 -0.23860E-01 5293 0.104E+00 0.849E-01 RMM: 3 -0.308231237054E+03 0.66925E-02 -0.18592E-02 6031 0.257E-01 0.168E-01 RMM: 4 -0.308230874796E+03 0.36226E-03 -0.10723E-03 4806 0.742E-02 0.157E-01 RMM: 5 -0.308230734263E+03 0.14053E-03 -0.18926E-04 3920 0.343E-02 0.891E-02 RMM: 6 -0.308230698438E+03 0.35825E-04 -0.53530E-05 3228 0.210E-02 0.590E-02 RMM: 7 -0.308230735161E+03 -0.36723E-04 -0.70045E-05 3581 0.226E-02 0.957E-02 RMM: 8 -0.308230675587E+03 0.59575E-04 -0.42423E-05 3078 0.195E-02 0.272E-02 RMM: 9 -0.308230674670E+03 0.91689E-06 -0.12366E-05 2483 0.103E-02 5413 T= 6267. E= 0.68506921E+03 F= 0.63322311E+03 E0= 0.66138843E+03 EK= 0.51846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308090183936E+03 0.14049E+00 -0.40831E-01 8940 0.238E+01 0.194E-01 RMM: 2 -0.308115268284E+03 -0.25084E-01 -0.23154E-01 5233 0.104E+00 0.680E-01 RMM: 3 -0.308110373175E+03 0.48951E-02 -0.18657E-02 6045 0.253E-01 0.164E-01 RMM: 4 -0.308110001048E+03 0.37213E-03 -0.95194E-04 4766 0.711E-02 0.145E-01 RMM: 5 -0.308109869420E+03 0.13163E-03 -0.16311E-04 3947 0.317E-02 0.838E-02 RMM: 6 -0.308109843010E+03 0.26410E-04 -0.53601E-05 3223 0.209E-02 0.630E-02 RMM: 7 -0.308109876729E+03 -0.33719E-04 -0.68162E-05 3544 0.226E-02 0.972E-02 RMM: 8 -0.308109814531E+03 0.62198E-04 -0.42148E-05 3085 0.192E-02 0.269E-02 RMM: 9 -0.308109814418E+03 0.11321E-06 -0.13036E-05 2483 0.106E-02 5414 T= 6313. E= 0.68554308E+03 F= 0.63331390E+03 E0= 0.66148112E+03 EK= 0.52229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308133069622E+03 -0.23255E-01 -0.33936E-01 8880 0.240E+01 0.196E-01 RMM: 2 -0.308155813189E+03 -0.22744E-01 -0.19919E-01 5411 0.945E-01 0.769E-01 RMM: 3 -0.308150224599E+03 0.55886E-02 -0.15007E-02 5927 0.230E-01 0.158E-01 RMM: 4 -0.308149941363E+03 0.28324E-03 -0.85564E-04 4723 0.666E-02 0.146E-01 RMM: 5 -0.308149816360E+03 0.12500E-03 -0.15371E-04 3894 0.313E-02 0.842E-02 RMM: 6 -0.308149784016E+03 0.32344E-04 -0.44476E-05 3110 0.193E-02 0.583E-02 RMM: 7 -0.308149806477E+03 -0.22460E-04 -0.73601E-05 3612 0.229E-02 0.876E-02 RMM: 8 -0.308149755610E+03 0.50867E-04 -0.37871E-05 3021 0.184E-02 0.244E-02 RMM: 9 -0.308149756669E+03 -0.10595E-05 -0.11769E-05 2477 0.996E-03 5415 T= 6420. E= 0.68636099E+03 F= 0.63324988E+03 E0= 0.66141790E+03 EK= 0.53111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308329707237E+03 -0.17995E+00 -0.29052E-01 8880 0.242E+01 0.190E-01 RMM: 2 -0.308350709249E+03 -0.21002E-01 -0.19163E-01 5169 0.935E-01 0.677E-01 RMM: 3 -0.308346097366E+03 0.46119E-02 -0.16228E-02 6060 0.235E-01 0.152E-01 RMM: 4 -0.308345772266E+03 0.32510E-03 -0.80989E-04 4737 0.653E-02 0.144E-01 RMM: 5 -0.308345636257E+03 0.13601E-03 -0.14642E-04 3867 0.307E-02 0.800E-02 RMM: 6 -0.308345611872E+03 0.24385E-04 -0.46873E-05 3145 0.196E-02 0.606E-02 RMM: 7 -0.308345631509E+03 -0.19637E-04 -0.66913E-05 3542 0.221E-02 5416 T= 6551. E= 0.68723214E+03 F= 0.63303587E+03 E0= 0.66120352E+03 EK= 0.54196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308637370162E+03 -0.29176E+00 -0.25717E-01 8880 0.246E+01 0.195E-01 RMM: 2 -0.308656442341E+03 -0.19072E-01 -0.17565E-01 5098 0.904E-01 0.652E-01 RMM: 3 -0.308652404472E+03 0.40379E-02 -0.16021E-02 6092 0.234E-01 0.162E-01 RMM: 4 -0.308652061320E+03 0.34315E-03 -0.75460E-04 4707 0.631E-02 0.148E-01 RMM: 5 -0.308651909361E+03 0.15196E-03 -0.14992E-04 3881 0.330E-02 0.698E-02 RMM: 6 -0.308651916042E+03 -0.66810E-05 -0.65405E-05 3383 0.221E-02 5417 T= 6656. E= 0.68777616E+03 F= 0.63271722E+03 E0= 0.66088298E+03 EK= 0.55059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308984270864E+03 -0.33236E+00 -0.25115E-01 8592 0.248E+01 0.307E-01 RMM: 2 -0.309018196537E+03 -0.33926E-01 -0.18418E-01 5006 0.949E-01 0.160E+00 RMM: 3 -0.308999503068E+03 0.18693E-01 -0.20014E-02 5483 0.305E-01 0.277E-01 RMM: 4 -0.308998911665E+03 0.59140E-03 -0.18575E-03 5007 0.882E-02 0.127E-01 RMM: 5 -0.308998855555E+03 0.56109E-04 -0.24926E-04 3973 0.356E-02 0.118E-01 RMM: 6 -0.308998773086E+03 0.82469E-04 -0.75230E-05 3549 0.240E-02 0.649E-02 RMM: 7 -0.308998819664E+03 -0.46578E-04 -0.93268E-05 3774 0.259E-02 0.108E-01 RMM: 8 -0.308998751033E+03 0.68631E-04 -0.61579E-05 3353 0.210E-02 0.532E-02 RMM: 9 -0.308998736347E+03 0.14686E-04 -0.21485E-05 2557 0.138E-02 5418 T= 6686. E= 0.68767511E+03 F= 0.63236367E+03 E0= 0.66052667E+03 EK= 0.55311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309313782704E+03 -0.31503E+00 -0.24432E-01 8712 0.249E+01 0.339E-01 RMM: 2 -0.309350854807E+03 -0.37072E-01 -0.18854E-01 4826 0.100E+00 0.173E+00 RMM: 3 -0.309329417597E+03 0.21437E-01 -0.22450E-02 5467 0.328E-01 0.331E-01 RMM: 4 -0.309328608923E+03 0.80867E-03 -0.22816E-03 5176 0.997E-02 0.136E-01 RMM: 5 -0.309328572758E+03 0.36165E-04 -0.31527E-04 3914 0.396E-02 0.138E-01 RMM: 6 -0.309328444387E+03 0.12837E-03 -0.87090E-05 3652 0.260E-02 0.493E-02 RMM: 7 -0.309328461870E+03 -0.17483E-04 -0.42397E-05 3068 0.181E-02 5419 T= 6625. E= 0.68683704E+03 F= 0.63203280E+03 E0= 0.66019156E+03 EK= 0.54804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309615417251E+03 -0.28697E+00 -0.23256E-01 8640 0.247E+01 0.238E-01 RMM: 2 -0.309639263559E+03 -0.23846E-01 -0.16047E-01 5053 0.884E-01 0.115E+00 RMM: 3 -0.309628926654E+03 0.10337E-01 -0.16065E-02 5615 0.259E-01 0.194E-01 RMM: 4 -0.309628630029E+03 0.29663E-03 -0.11685E-03 4879 0.710E-02 0.134E-01 RMM: 5 -0.309628546256E+03 0.83772E-04 -0.17170E-04 3948 0.323E-02 0.108E-01 RMM: 6 -0.309628490480E+03 0.55777E-04 -0.71169E-05 3454 0.229E-02 0.737E-02 RMM: 7 -0.309628556528E+03 -0.66048E-04 -0.12053E-04 3880 0.275E-02 0.126E-01 RMM: 8 -0.309628451372E+03 0.10516E-03 -0.68219E-05 3499 0.239E-02 0.294E-02 RMM: 9 -0.309628450059E+03 0.13136E-05 -0.12867E-05 2497 0.110E-02 5420 T= 6495. E= 0.68546434E+03 F= 0.63173730E+03 E0= 0.65989253E+03 EK= 0.53727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309933482796E+03 -0.30503E+00 -0.22770E-01 8832 0.245E+01 0.214E-01 RMM: 2 -0.309954493907E+03 -0.21011E-01 -0.16126E-01 4991 0.886E-01 0.960E-01 RMM: 3 -0.309947227795E+03 0.72661E-02 -0.15937E-02 5829 0.242E-01 0.194E-01 RMM: 4 -0.309946868046E+03 0.35975E-03 -0.98887E-04 4750 0.716E-02 0.140E-01 RMM: 5 -0.309946755949E+03 0.11210E-03 -0.16638E-04 3897 0.314E-02 0.920E-02 RMM: 6 -0.309946707254E+03 0.48695E-04 -0.47736E-05 3170 0.201E-02 0.522E-02 RMM: 7 -0.309946734663E+03 -0.27409E-04 -0.58705E-05 3403 0.208E-02 0.884E-02 RMM: 8 -0.309946682941E+03 0.51721E-04 -0.49482E-05 3065 0.191E-02 0.268E-02 RMM: 9 -0.309946681153E+03 0.17879E-05 -0.13828E-05 2474 0.109E-02 5421 T= 6349. E= 0.68395562E+03 F= 0.63142939E+03 E0= 0.65958204E+03 EK= 0.52526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310365770183E+03 -0.41909E+00 -0.21692E-01 8664 0.241E+01 0.208E-01 RMM: 2 -0.310384456856E+03 -0.18687E-01 -0.15354E-01 5017 0.875E-01 0.842E-01 RMM: 3 -0.310378900034E+03 0.55568E-02 -0.15468E-02 5898 0.236E-01 0.150E-01 RMM: 4 -0.310378623490E+03 0.27654E-03 -0.81791E-04 4766 0.634E-02 0.143E-01 RMM: 5 -0.310378489921E+03 0.13357E-03 -0.13902E-04 3867 0.311E-02 0.769E-02 RMM: 6 -0.310378477744E+03 0.12176E-04 -0.52733E-05 3220 0.204E-02 5422 T= 6250. E= 0.68271690E+03 F= 0.63101393E+03 E0= 0.65916698E+03 EK= 0.51703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311014586281E+03 -0.63610E+00 -0.20353E-01 8376 0.238E+01 0.370E-01 RMM: 2 -0.311055196830E+03 -0.40611E-01 -0.15308E-01 4957 0.889E-01 0.199E+00 RMM: 3 -0.311026727362E+03 0.28469E-01 -0.19805E-02 5366 0.328E-01 0.357E-01 RMM: 4 -0.311025844882E+03 0.88248E-03 -0.23066E-03 5158 0.964E-02 0.128E-01 RMM: 5 -0.311025849552E+03 -0.46699E-05 -0.29837E-04 3904 0.396E-02 0.149E-01 RMM: 6 -0.311025711812E+03 0.13774E-03 -0.99563E-05 3763 0.268E-02 0.726E-02 RMM: 7 -0.311025763509E+03 -0.51696E-04 -0.11042E-04 3830 0.283E-02 0.112E-01 RMM: 8 -0.311025701403E+03 0.62105E-04 -0.74443E-05 3526 0.226E-02 0.614E-02 RMM: 9 -0.311025677960E+03 0.23443E-04 -0.18136E-05 2545 0.132E-02 0.179E-02 RMM: 10 -0.311025682764E+03 -0.48035E-05 -0.78851E-06 2455 0.880E-03 5423 T= 6239. E= 0.68200160E+03 F= 0.63038918E+03 E0= 0.65854495E+03 EK= 0.51612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311941363969E+03 -0.91569E+00 -0.19759E-01 8052 0.238E+01 0.307E-01 RMM: 2 -0.311972374628E+03 -0.31011E-01 -0.15301E-01 4820 0.880E-01 0.159E+00 RMM: 3 -0.311953896226E+03 0.18478E-01 -0.17915E-02 5406 0.302E-01 0.294E-01 RMM: 4 -0.311953331813E+03 0.56441E-03 -0.20492E-03 5121 0.940E-02 0.132E-01 RMM: 5 -0.311953302207E+03 0.29606E-04 -0.26905E-04 4104 0.348E-02 0.132E-01 RMM: 6 -0.311953183407E+03 0.11880E-03 -0.67495E-05 3431 0.234E-02 0.416E-02 RMM: 7 -0.311953196897E+03 -0.13490E-04 -0.32771E-05 2828 0.163E-02 5424 T= 6326. E= 0.68182732E+03 F= 0.62949022E+03 E0= 0.65765217E+03 EK= 0.52337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313151769506E+03 -0.11986E+01 -0.20087E-01 8424 0.239E+01 0.257E-01 RMM: 2 -0.313173145788E+03 -0.21376E-01 -0.13903E-01 4946 0.854E-01 0.116E+00 RMM: 3 -0.313163187343E+03 0.99584E-02 -0.14950E-02 5642 0.254E-01 0.237E-01 RMM: 4 -0.313162748340E+03 0.43900E-03 -0.12365E-03 4775 0.761E-02 0.126E-01 RMM: 5 -0.313162719697E+03 0.28643E-04 -0.20399E-04 3893 0.350E-02 0.123E-01 RMM: 6 -0.313162627722E+03 0.91975E-04 -0.71147E-05 3459 0.237E-02 0.572E-02 RMM: 7 -0.313162676408E+03 -0.48686E-04 -0.77544E-05 3632 0.239E-02 0.104E-01 RMM: 8 -0.313162613456E+03 0.62952E-04 -0.56026E-05 3278 0.215E-02 0.436E-02 RMM: 9 -0.313162603339E+03 0.10117E-04 -0.16016E-05 2513 0.124E-02 5425 T= 6485. E= 0.68195987E+03 F= 0.62831536E+03 E0= 0.65648739E+03 EK= 0.53645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314584981562E+03 -0.14224E+01 -0.21471E-01 8472 0.242E+01 0.242E-01 RMM: 2 -0.314607639200E+03 -0.22658E-01 -0.15211E-01 4938 0.874E-01 0.116E+00 RMM: 3 -0.314597577736E+03 0.10061E-01 -0.15841E-02 5747 0.249E-01 0.196E-01 RMM: 4 -0.314597274318E+03 0.30342E-03 -0.11755E-03 4789 0.776E-02 0.170E-01 RMM: 5 -0.314597091410E+03 0.18291E-03 -0.20153E-04 3889 0.359E-02 0.893E-02 RMM: 6 -0.314597043461E+03 0.47948E-04 -0.51027E-05 3189 0.208E-02 0.478E-02 RMM: 7 -0.314597059395E+03 -0.15934E-04 -0.52371E-05 3205 0.197E-02 5426 T= 6653. E= 0.68195833E+03 F= 0.62692137E+03 E0= 0.65510703E+03 EK= 0.55037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316150034640E+03 -0.15530E+01 -0.22292E-01 8892 0.244E+01 0.230E-01 RMM: 2 -0.316168631536E+03 -0.18597E-01 -0.15246E-01 5020 0.878E-01 0.870E-01 RMM: 3 -0.316162802613E+03 0.58289E-02 -0.15612E-02 5913 0.238E-01 0.202E-01 RMM: 4 -0.316162460492E+03 0.34212E-03 -0.99278E-04 4741 0.727E-02 0.167E-01 RMM: 5 -0.316162279511E+03 0.18098E-03 -0.17848E-04 3896 0.342E-02 0.846E-02 RMM: 6 -0.316162255513E+03 0.23999E-04 -0.52805E-05 3244 0.206E-02 0.670E-02 RMM: 7 -0.316162276612E+03 -0.21099E-04 -0.80938E-05 3741 0.228E-02 0.935E-02 RMM: 8 -0.316162219809E+03 0.56803E-04 -0.45035E-05 3135 0.200E-02 0.262E-02 RMM: 9 -0.316162225892E+03 -0.60829E-05 -0.15136E-05 2499 0.121E-02 5427 T= 6760. E= 0.68132258E+03 F= 0.62540267E+03 E0= 0.65360563E+03 EK= 0.55920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317743018171E+03 -0.15808E+01 -0.24121E-01 8604 0.244E+01 0.259E-01 RMM: 2 -0.317766857083E+03 -0.23839E-01 -0.18329E-01 4936 0.970E-01 0.107E+00 RMM: 3 -0.317758293352E+03 0.85637E-02 -0.18949E-02 5919 0.263E-01 0.234E-01 RMM: 4 -0.317757755638E+03 0.53771E-03 -0.12937E-03 4922 0.847E-02 0.166E-01 RMM: 5 -0.317757605032E+03 0.15061E-03 -0.23087E-04 3895 0.377E-02 0.112E-01 RMM: 6 -0.317757528251E+03 0.76781E-04 -0.65968E-05 3406 0.235E-02 0.501E-02 RMM: 7 -0.317757547629E+03 -0.19378E-04 -0.46211E-05 3087 0.185E-02 5428 T= 6753. E= 0.67972847E+03 F= 0.62386019E+03 E0= 0.65208274E+03 EK= 0.55868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319285859473E+03 -0.15283E+01 -0.23509E-01 8940 0.243E+01 0.223E-01 RMM: 2 -0.319303761559E+03 -0.17902E-01 -0.15584E-01 5029 0.868E-01 0.775E-01 RMM: 3 -0.319298681436E+03 0.50801E-02 -0.14753E-02 6044 0.234E-01 0.174E-01 RMM: 4 -0.319298414196E+03 0.26724E-03 -0.84978E-04 4739 0.668E-02 0.169E-01 RMM: 5 -0.319298214538E+03 0.19966E-03 -0.15698E-04 3880 0.326E-02 0.646E-02 RMM: 6 -0.319298238928E+03 -0.24390E-04 -0.72556E-05 3466 0.231E-02 0.942E-02 RMM: 7 -0.319298221657E+03 0.17271E-04 -0.79190E-05 3783 0.239E-02 5429 T= 6630. E= 0.67722682E+03 F= 0.62237931E+03 E0= 0.65062450E+03 EK= 0.54848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320713257663E+03 -0.14150E+01 -0.23401E-01 9060 0.240E+01 0.204E-01 RMM: 2 -0.320730407428E+03 -0.17150E-01 -0.14965E-01 5073 0.836E-01 0.731E-01 RMM: 3 -0.320725705362E+03 0.47021E-02 -0.13502E-02 6013 0.220E-01 0.165E-01 RMM: 4 -0.320725519743E+03 0.18562E-03 -0.82278E-04 4713 0.682E-02 0.187E-01 RMM: 5 -0.320725293869E+03 0.22587E-03 -0.18411E-04 3891 0.355E-02 0.852E-02 RMM: 6 -0.320725257299E+03 0.36570E-04 -0.63212E-05 3345 0.227E-02 0.551E-02 RMM: 7 -0.320725285972E+03 -0.28672E-04 -0.71735E-05 3682 0.223E-02 0.909E-02 RMM: 8 -0.320725232650E+03 0.53321E-04 -0.33582E-05 2839 0.172E-02 0.254E-02 RMM: 9 -0.320725231904E+03 0.74650E-06 -0.11903E-05 2470 0.103E-02 5430 T= 6434. E= 0.67424276E+03 F= 0.62101971E+03 E0= 0.64928804E+03 EK= 0.53223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321992614347E+03 -0.12674E+01 -0.23888E-01 8832 0.237E+01 0.192E-01 RMM: 2 -0.322009480384E+03 -0.16866E-01 -0.15894E-01 5036 0.881E-01 0.592E-01 RMM: 3 -0.322006034982E+03 0.34454E-02 -0.14104E-02 6144 0.223E-01 0.130E-01 RMM: 4 -0.322005868308E+03 0.16667E-03 -0.71819E-04 4747 0.640E-02 0.180E-01 RMM: 5 -0.322005658635E+03 0.20967E-03 -0.16050E-04 3886 0.340E-02 0.810E-02 RMM: 6 -0.322005635667E+03 0.22968E-04 -0.68099E-05 3409 0.230E-02 0.664E-02 RMM: 7 -0.322005652959E+03 -0.17292E-04 -0.73025E-05 3693 0.234E-02 5431 T= 6233. E= 0.67137522E+03 F= 0.61981484E+03 E0= 0.64810667E+03 EK= 0.51560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323109214765E+03 -0.11036E+01 -0.21838E-01 9096 0.234E+01 0.203E-01 RMM: 2 -0.323123342784E+03 -0.14128E-01 -0.12593E-01 5084 0.768E-01 0.664E-01 RMM: 3 -0.323119465845E+03 0.38769E-02 -0.11466E-02 6142 0.203E-01 0.144E-01 RMM: 4 -0.323119332950E+03 0.13289E-03 -0.67763E-04 4667 0.613E-02 0.180E-01 RMM: 5 -0.323119109380E+03 0.22357E-03 -0.16172E-04 3881 0.331E-02 0.646E-02 RMM: 6 -0.323119125833E+03 -0.16453E-04 -0.59928E-05 3343 0.218E-02 5432 T= 6090. E= 0.66916214E+03 F= 0.61878518E+03 E0= 0.64709891E+03 EK= 0.50377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324040568632E+03 -0.92146E+00 -0.20775E-01 8880 0.232E+01 0.306E-01 RMM: 2 -0.324066382457E+03 -0.25814E-01 -0.12213E-01 5120 0.764E-01 0.152E+00 RMM: 3 -0.324050019071E+03 0.16363E-01 -0.13451E-02 5413 0.262E-01 0.272E-01 RMM: 4 -0.324049548303E+03 0.47077E-03 -0.14736E-03 4773 0.794E-02 0.144E-01 RMM: 5 -0.324049510189E+03 0.38114E-04 -0.25256E-04 3886 0.386E-02 0.146E-01 RMM: 6 -0.324049379955E+03 0.13023E-03 -0.10934E-04 3746 0.296E-02 0.573E-02 RMM: 7 -0.324049424870E+03 -0.44915E-04 -0.69627E-05 3462 0.228E-02 0.101E-01 RMM: 8 -0.324049365786E+03 0.59084E-04 -0.43073E-05 3081 0.199E-02 0.433E-02 RMM: 9 -0.324049355304E+03 0.10482E-04 -0.14490E-05 2494 0.116E-02 5433 T= 6043. E= 0.66793816E+03 F= 0.61794666E+03 E0= 0.64627847E+03 EK= 0.49991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324771361408E+03 -0.72200E+00 -0.19914E-01 8964 0.233E+01 0.304E-01 RMM: 2 -0.324795844160E+03 -0.24483E-01 -0.10579E-01 5191 0.708E-01 0.151E+00 RMM: 3 -0.324779291184E+03 0.16553E-01 -0.11689E-02 5381 0.250E-01 0.293E-01 RMM: 4 -0.324778757908E+03 0.53328E-03 -0.15110E-03 4712 0.835E-02 0.135E-01 RMM: 5 -0.324778744653E+03 0.13255E-04 -0.22327E-04 3892 0.365E-02 0.149E-01 RMM: 6 -0.324778595033E+03 0.14962E-03 -0.80160E-05 3555 0.259E-02 0.426E-02 RMM: 7 -0.324778622925E+03 -0.27892E-04 -0.52236E-05 3230 0.197E-02 0.828E-02 RMM: 8 -0.324778581111E+03 0.41814E-04 -0.41815E-05 2987 0.200E-02 0.329E-02 RMM: 9 -0.324778575668E+03 0.54440E-05 -0.11157E-05 2467 0.983E-03 5434 T= 6102. E= 0.66779667E+03 F= 0.61731625E+03 E0= 0.64566064E+03 EK= 0.50480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325277266372E+03 -0.49869E+00 -0.19921E-01 8892 0.235E+01 0.228E-01 RMM: 2 -0.325291062388E+03 -0.13796E-01 -0.10211E-01 5205 0.694E-01 0.867E-01 RMM: 3 -0.325285372533E+03 0.56899E-02 -0.91697E-03 5611 0.196E-01 0.191E-01 RMM: 4 -0.325285266339E+03 0.10619E-03 -0.89489E-04 4679 0.683E-02 0.189E-01 RMM: 5 -0.325285044475E+03 0.22186E-03 -0.19521E-04 3880 0.347E-02 0.970E-02 RMM: 6 -0.325284996152E+03 0.48324E-04 -0.64239E-05 3405 0.233E-02 0.570E-02 RMM: 7 -0.325285031663E+03 -0.35511E-04 -0.62916E-05 3459 0.215E-02 0.959E-02 RMM: 8 -0.325284971186E+03 0.60477E-04 -0.37359E-05 3004 0.192E-02 0.249E-02 RMM: 9 -0.325284970552E+03 0.63364E-06 -0.11062E-05 2471 0.973E-03 5435 T= 6247. E= 0.66859482E+03 F= 0.61691473E+03 E0= 0.64526378E+03 EK= 0.51680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325539658110E+03 -0.25469E+00 -0.20002E-01 8808 0.238E+01 0.219E-01 RMM: 2 -0.325552134736E+03 -0.12477E-01 -0.99321E-02 5122 0.695E-01 0.771E-01 RMM: 3 -0.325547440820E+03 0.46939E-02 -0.88981E-03 5870 0.189E-01 0.150E-01 RMM: 4 -0.325547501514E+03 -0.60695E-04 -0.76515E-04 4662 0.656E-02 0.223E-01 RMM: 5 -0.325547177235E+03 0.32428E-03 -0.19541E-04 3881 0.357E-02 0.853E-02 RMM: 6 -0.325547143330E+03 0.33905E-04 -0.59455E-05 3351 0.223E-02 0.563E-02 RMM: 7 -0.325547168631E+03 -0.25302E-04 -0.51130E-05 3205 0.198E-02 0.886E-02 RMM: 8 -0.325547117694E+03 0.50937E-04 -0.33760E-05 2891 0.184E-02 0.193E-02 RMM: 9 -0.325547122082E+03 -0.43879E-05 -0.10228E-05 2470 0.918E-03 5436 T= 6432. E= 0.66997467E+03 F= 0.61676259E+03 E0= 0.64510712E+03 EK= 0.53212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325544738364E+03 0.23793E-02 -0.19808E-01 8652 0.240E+01 0.201E-01 RMM: 2 -0.325555867369E+03 -0.11129E-01 -0.10479E-01 5046 0.718E-01 0.546E-01 RMM: 3 -0.325553275088E+03 0.25923E-02 -0.99387E-03 6017 0.190E-01 0.154E-01 RMM: 4 -0.325553270584E+03 0.45040E-05 -0.69397E-04 4673 0.641E-02 0.222E-01 RMM: 5 -0.325552941903E+03 0.32868E-03 -0.21008E-04 3887 0.383E-02 0.757E-02 RMM: 6 -0.325552924167E+03 0.17736E-04 -0.60591E-05 3356 0.225E-02 5437 T= 6596. E= 0.67143473E+03 F= 0.61687142E+03 E0= 0.64520141E+03 EK= 0.54563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325303575473E+03 0.24937E+00 -0.18565E-01 8592 0.242E+01 0.296E-01 RMM: 2 -0.325325961575E+03 -0.22386E-01 -0.96019E-02 5084 0.700E-01 0.146E+00 RMM: 3 -0.325310696751E+03 0.15265E-01 -0.11344E-02 5393 0.243E-01 0.228E-01 RMM: 4 -0.325310545397E+03 0.15135E-03 -0.13241E-03 4693 0.776E-02 0.194E-01 RMM: 5 -0.325310361944E+03 0.18345E-03 -0.23860E-04 3895 0.374E-02 0.134E-01 RMM: 6 -0.325310260987E+03 0.10096E-03 -0.10108E-04 3686 0.284E-02 0.656E-02 RMM: 7 -0.325310311326E+03 -0.50339E-04 -0.80944E-05 3583 0.244E-02 0.110E-01 RMM: 8 -0.325310232849E+03 0.78477E-04 -0.47643E-05 3205 0.215E-02 0.274E-02 RMM: 9 -0.325310232974E+03 -0.12514E-06 -0.13601E-05 2493 0.111E-02 5438 T= 6679. E= 0.67248660E+03 F= 0.61723336E+03 E0= 0.64553980E+03 EK= 0.55253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324847272814E+03 0.46296E+00 -0.18169E-01 8484 0.241E+01 0.303E-01 RMM: 2 -0.324874643469E+03 -0.27371E-01 -0.98095E-02 4871 0.722E-01 0.167E+00 RMM: 3 -0.324854470665E+03 0.20173E-01 -0.12571E-02 5377 0.264E-01 0.241E-01 RMM: 4 -0.324854196529E+03 0.27414E-03 -0.15575E-03 4800 0.850E-02 0.174E-01 RMM: 5 -0.324854125782E+03 0.70747E-04 -0.26549E-04 3905 0.424E-02 0.153E-01 RMM: 6 -0.324853965404E+03 0.16038E-03 -0.93972E-05 3648 0.278E-02 0.407E-02 RMM: 7 -0.324853996468E+03 -0.31063E-04 -0.49162E-05 3171 0.195E-02 0.833E-02 RMM: 8 -0.324853951919E+03 0.44549E-04 -0.36800E-05 2869 0.197E-02 0.230E-02 RMM: 9 -0.324853951720E+03 0.19891E-06 -0.10423E-05 2465 0.953E-03 5439 T= 6654. E= 0.67285941E+03 F= 0.61781399E+03 E0= 0.64608979E+03 EK= 0.55045E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324236798250E+03 0.61715E+00 -0.18050E-01 8184 0.239E+01 0.211E-01 RMM: 2 -0.324248660767E+03 -0.11863E-01 -0.94437E-02 4978 0.704E-01 0.750E-01 RMM: 3 -0.324244408379E+03 0.42524E-02 -0.96264E-03 5781 0.195E-01 0.162E-01 RMM: 4 -0.324244351850E+03 0.56529E-04 -0.77593E-04 4675 0.669E-02 0.193E-01 RMM: 5 -0.324244103194E+03 0.24866E-03 -0.20626E-04 3884 0.376E-02 0.864E-02 RMM: 6 -0.324244091985E+03 0.11209E-04 -0.83389E-05 3580 0.256E-02 5440 T= 6536. E= 0.67262467E+03 F= 0.61855399E+03 E0= 0.64679538E+03 EK= 0.54071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323549866470E+03 0.69424E+00 -0.17158E-01 7944 0.235E+01 0.336E-01 RMM: 2 -0.323577473584E+03 -0.27607E-01 -0.96699E-02 4981 0.731E-01 0.171E+00 RMM: 3 -0.323557146070E+03 0.20328E-01 -0.14272E-02 5377 0.283E-01 0.302E-01 RMM: 4 -0.323556622951E+03 0.52312E-03 -0.16403E-03 4817 0.844E-02 0.156E-01 RMM: 5 -0.323556595999E+03 0.26951E-04 -0.32742E-04 4001 0.455E-02 0.170E-01 RMM: 6 -0.323556425356E+03 0.17064E-03 -0.17377E-04 3886 0.372E-02 0.737E-02 RMM: 7 -0.323556491211E+03 -0.65855E-04 -0.96097E-05 3733 0.265E-02 0.122E-01 RMM: 8 -0.323556399512E+03 0.91699E-04 -0.47689E-05 3224 0.217E-02 0.413E-02 RMM: 9 -0.323556392406E+03 0.71059E-05 -0.15425E-05 2520 0.119E-02 5441 T= 6378. E= 0.67213856E+03 F= 0.61937814E+03 E0= 0.64758461E+03 EK= 0.52760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322859166488E+03 0.69723E+00 -0.16765E-01 8136 0.232E+01 0.342E-01 RMM: 2 -0.322889535557E+03 -0.30369E-01 -0.10449E-01 4855 0.774E-01 0.181E+00 RMM: 3 -0.322867035944E+03 0.22500E-01 -0.14975E-02 5382 0.292E-01 0.344E-01 RMM: 4 -0.322866222609E+03 0.81333E-03 -0.18254E-03 4897 0.910E-02 0.121E-01 RMM: 5 -0.322866274166E+03 -0.51556E-04 -0.31459E-04 3989 0.455E-02 0.165E-01 RMM: 6 -0.322866093392E+03 0.18077E-03 -0.12458E-04 3864 0.314E-02 0.493E-02 RMM: 7 -0.322866133019E+03 -0.39627E-04 -0.58814E-05 3347 0.208E-02 0.930E-02 RMM: 8 -0.322866080405E+03 0.52614E-04 -0.33070E-05 2887 0.192E-02 0.317E-02 RMM: 9 -0.322866075344E+03 0.50614E-05 -0.94120E-06 2468 0.923E-03 5442 T= 6242. E= 0.67185341E+03 F= 0.62021132E+03 E0= 0.64838595E+03 EK= 0.51642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322226560210E+03 0.63952E+00 -0.15727E-01 7764 0.230E+01 0.222E-01 RMM: 2 -0.322239642637E+03 -0.13082E-01 -0.93316E-02 4891 0.712E-01 0.867E-01 RMM: 3 -0.322234184798E+03 0.54578E-02 -0.10374E-02 5637 0.207E-01 0.173E-01 RMM: 4 -0.322234128307E+03 0.56491E-04 -0.84095E-04 4663 0.675E-02 0.195E-01 RMM: 5 -0.322233881978E+03 0.24633E-03 -0.23243E-04 3890 0.407E-02 0.990E-02 RMM: 6 -0.322233857824E+03 0.24155E-04 -0.10513E-04 3735 0.281E-02 0.844E-02 RMM: 7 -0.322233865247E+03 -0.74229E-05 -0.59835E-05 3376 0.229E-02 5443 T= 6182. E= 0.67213034E+03 F= 0.62099232E+03 E0= 0.64914104E+03 EK= 0.51138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321688471693E+03 0.54539E+00 -0.15580E-01 7956 0.230E+01 0.239E-01 RMM: 2 -0.321702203957E+03 -0.13732E-01 -0.10874E-01 4824 0.779E-01 0.820E-01 RMM: 3 -0.321697484972E+03 0.47190E-02 -0.12785E-02 5842 0.216E-01 0.166E-01 RMM: 4 -0.321697412473E+03 0.72499E-04 -0.95493E-04 4716 0.743E-02 0.220E-01 RMM: 5 -0.321697127733E+03 0.28474E-03 -0.25883E-04 3909 0.416E-02 0.112E-01 RMM: 6 -0.321697080462E+03 0.47271E-04 -0.10205E-04 3750 0.281E-02 0.780E-02 RMM: 7 -0.321697105576E+03 -0.25114E-04 -0.71163E-05 3517 0.237E-02 0.995E-02 RMM: 8 -0.321697041626E+03 0.63950E-04 -0.39229E-05 3090 0.202E-02 0.213E-02 RMM: 9 -0.321697048073E+03 -0.64463E-05 -0.11648E-05 2482 0.994E-03 5444 T= 6219. E= 0.67312983E+03 F= 0.62168286E+03 E0= 0.64981360E+03 EK= 0.51447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321256802134E+03 0.44024E+00 -0.16344E-01 7752 0.232E+01 0.215E-01 RMM: 2 -0.321271456291E+03 -0.14654E-01 -0.12607E-01 4759 0.831E-01 0.735E-01 RMM: 3 -0.321267489839E+03 0.39665E-02 -0.14294E-02 5951 0.221E-01 0.142E-01 RMM: 4 -0.321267417883E+03 0.71956E-04 -0.88059E-04 4735 0.731E-02 0.216E-01 RMM: 5 -0.321267116399E+03 0.30148E-03 -0.22387E-04 3882 0.394E-02 0.907E-02 RMM: 6 -0.321267077848E+03 0.38551E-04 -0.83062E-05 3524 0.258E-02 0.566E-02 RMM: 7 -0.321267101958E+03 -0.24111E-04 -0.38853E-05 3009 0.191E-02 0.837E-02 RMM: 8 -0.321267056342E+03 0.45616E-04 -0.22225E-05 2572 0.157E-02 0.182E-02 RMM: 9 -0.321267057213E+03 -0.87074E-06 -0.68877E-06 2456 0.760E-03 5445 T= 6346. E= 0.67477166E+03 F= 0.62227034E+03 E0= 0.65039265E+03 EK= 0.52501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320929319374E+03 0.33774E+00 -0.16292E-01 8028 0.235E+01 0.238E-01 RMM: 2 -0.320940831661E+03 -0.11512E-01 -0.99226E-02 5053 0.729E-01 0.722E-01 RMM: 3 -0.320937205968E+03 0.36257E-02 -0.10378E-02 5891 0.192E-01 0.145E-01 RMM: 4 -0.320937325215E+03 -0.11925E-03 -0.88745E-04 4655 0.733E-02 0.263E-01 RMM: 5 -0.320936867668E+03 0.45755E-03 -0.28574E-04 3926 0.436E-02 0.840E-02 RMM: 6 -0.320936854269E+03 0.13399E-04 -0.80799E-05 3543 0.249E-02 5446 T= 6524. E= 0.67673321E+03 F= 0.62276091E+03 E0= 0.65088474E+03 EK= 0.53972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320676677316E+03 0.26019E+00 -0.17051E-01 7944 0.239E+01 0.347E-01 RMM: 2 -0.320700870826E+03 -0.24194E-01 -0.96731E-02 5296 0.729E-01 0.161E+00 RMM: 3 -0.320683151853E+03 0.17719E-01 -0.12344E-02 5374 0.263E-01 0.244E-01 RMM: 4 -0.320683086196E+03 0.65658E-04 -0.15597E-03 4706 0.846E-02 0.239E-01 RMM: 5 -0.320682798281E+03 0.28791E-03 -0.30722E-04 3899 0.427E-02 0.152E-01 RMM: 6 -0.320682655680E+03 0.14260E-03 -0.12843E-04 3838 0.319E-02 0.623E-02 RMM: 7 -0.320682719331E+03 -0.63651E-04 -0.91868E-05 3699 0.260E-02 0.116E-01 RMM: 8 -0.320682637224E+03 0.82107E-04 -0.45833E-05 3199 0.213E-02 0.400E-02 RMM: 9 -0.320682630776E+03 0.64479E-05 -0.14187E-05 2503 0.112E-02 5447 T= 6689. E= 0.67851543E+03 F= 0.62317807E+03 E0= 0.65131455E+03 EK= 0.55337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320470030459E+03 0.21261E+00 -0.18143E-01 8316 0.243E+01 0.331E-01 RMM: 2 -0.320494685620E+03 -0.24655E-01 -0.10471E-01 5221 0.759E-01 0.158E+00 RMM: 3 -0.320477740154E+03 0.16945E-01 -0.12587E-02 5420 0.257E-01 0.264E-01 RMM: 4 -0.320477530078E+03 0.21008E-03 -0.17708E-03 4803 0.932E-02 0.234E-01 RMM: 5 -0.320477358291E+03 0.17179E-03 -0.34429E-04 3985 0.472E-02 0.185E-01 RMM: 6 -0.320477121205E+03 0.23709E-03 -0.14183E-04 3865 0.338E-02 0.385E-02 RMM: 7 -0.320477154820E+03 -0.33615E-04 -0.54654E-05 3270 0.192E-02 0.877E-02 RMM: 8 -0.320477107348E+03 0.47472E-04 -0.39867E-05 3018 0.206E-02 0.264E-02 RMM: 9 -0.320477106182E+03 0.11665E-05 -0.98410E-06 2465 0.916E-03 5448 T= 6776. E= 0.67960517E+03 F= 0.62354958E+03 E0= 0.65170794E+03 EK= 0.56056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320293335802E+03 0.18377E+00 -0.19428E-01 8160 0.244E+01 0.278E-01 RMM: 2 -0.320309949213E+03 -0.16613E-01 -0.12099E-01 5135 0.804E-01 0.100E+00 RMM: 3 -0.320302802376E+03 0.71468E-02 -0.12311E-02 5694 0.226E-01 0.210E-01 RMM: 4 -0.320302849171E+03 -0.46795E-04 -0.12711E-03 4747 0.834E-02 0.269E-01 RMM: 5 -0.320302417457E+03 0.43171E-03 -0.31646E-04 3932 0.446E-02 0.124E-01 RMM: 6 -0.320302327894E+03 0.89563E-04 -0.10083E-04 3665 0.283E-02 0.616E-02 RMM: 7 -0.320302371157E+03 -0.43264E-04 -0.81923E-05 3656 0.242E-02 0.104E-01 RMM: 8 -0.320302301451E+03 0.69706E-04 -0.42941E-05 3154 0.208E-02 0.314E-02 RMM: 9 -0.320302298986E+03 0.24645E-05 -0.11414E-05 2487 0.976E-03 5449 T= 6747. E= 0.67971126E+03 F= 0.62389452E+03 E0= 0.65208312E+03 EK= 0.55817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320147341904E+03 0.15496E+00 -0.19990E-01 8244 0.244E+01 0.279E-01 RMM: 2 -0.320165073419E+03 -0.17732E-01 -0.13090E-01 5072 0.837E-01 0.102E+00 RMM: 3 -0.320157668839E+03 0.74046E-02 -0.13698E-02 5831 0.232E-01 0.166E-01 RMM: 4 -0.320157827531E+03 -0.15869E-03 -0.11797E-03 4780 0.813E-02 0.290E-01 RMM: 5 -0.320157308453E+03 0.51908E-03 -0.32949E-04 4074 0.474E-02 0.116E-01 RMM: 6 -0.320157242782E+03 0.65671E-04 -0.11778E-04 3825 0.299E-02 0.670E-02 RMM: 7 -0.320157287593E+03 -0.44812E-04 -0.59346E-05 3377 0.212E-02 0.106E-01 RMM: 8 -0.320157213617E+03 0.73976E-04 -0.37413E-05 3004 0.198E-02 0.257E-02 RMM: 9 -0.320157215064E+03 -0.14469E-05 -0.10698E-05 2476 0.925E-03 5450 T= 6613. E= 0.67892369E+03 F= 0.62421526E+03 E0= 0.65243942E+03 EK= 0.54708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320044576586E+03 0.11264E+00 -0.20909E-01 8520 0.242E+01 0.250E-01 RMM: 2 -0.320059882576E+03 -0.15306E-01 -0.13384E-01 5010 0.836E-01 0.750E-01 RMM: 3 -0.320055451652E+03 0.44309E-02 -0.13475E-02 5902 0.225E-01 0.189E-01 RMM: 4 -0.320055451969E+03 -0.31703E-06 -0.11045E-03 4816 0.812E-02 0.260E-01 RMM: 5 -0.320055032390E+03 0.41958E-03 -0.33129E-04 4070 0.484E-02 0.112E-01 RMM: 6 -0.320054970382E+03 0.62008E-04 -0.98918E-05 3705 0.276E-02 0.681E-02 RMM: 7 -0.320055004991E+03 -0.34609E-04 -0.68527E-05 3495 0.229E-02 0.100E-01 RMM: 8 -0.320054940974E+03 0.64017E-04 -0.34996E-05 3018 0.194E-02 0.262E-02 RMM: 9 -0.320054941801E+03 -0.82682E-06 -0.98990E-06 2471 0.884E-03 5451 T= 6427. E= 0.67766858E+03 F= 0.62449979E+03 E0= 0.65276289E+03 EK= 0.53169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320002183242E+03 0.52758E-01 -0.21368E-01 8568 0.239E+01 0.270E-01 RMM: 2 -0.320020416725E+03 -0.18233E-01 -0.13948E-01 4946 0.861E-01 0.973E-01 RMM: 3 -0.320013426115E+03 0.69906E-02 -0.14846E-02 5841 0.243E-01 0.171E-01 RMM: 4 -0.320013552939E+03 -0.12682E-03 -0.12107E-03 4899 0.835E-02 0.283E-01 RMM: 5 -0.320013068243E+03 0.48470E-03 -0.33226E-04 4083 0.474E-02 0.125E-01 RMM: 6 -0.320012993248E+03 0.74995E-04 -0.12652E-04 3849 0.307E-02 0.718E-02 RMM: 7 -0.320013035609E+03 -0.42361E-04 -0.70623E-05 3505 0.230E-02 0.107E-01 RMM: 8 -0.320012960576E+03 0.75033E-04 -0.42295E-05 3143 0.210E-02 0.272E-02 RMM: 9 -0.320012960754E+03 -0.17807E-06 -0.99170E-06 2480 0.895E-03 5452 T= 6257. E= 0.67649497E+03 F= 0.62473107E+03 E0= 0.65303338E+03 EK= 0.51764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320027724585E+03 -0.14764E-01 -0.22343E-01 8208 0.237E+01 0.252E-01 RMM: 2 -0.320045984999E+03 -0.18260E-01 -0.16017E-01 4933 0.918E-01 0.776E-01 RMM: 3 -0.320041072539E+03 0.49125E-02 -0.16367E-02 5925 0.245E-01 0.192E-01 RMM: 4 -0.320041047930E+03 0.24608E-04 -0.12577E-03 5022 0.876E-02 0.270E-01 RMM: 5 -0.320040615678E+03 0.43225E-03 -0.36411E-04 4201 0.504E-02 0.122E-01 RMM: 6 -0.320040536177E+03 0.79501E-04 -0.11190E-04 3796 0.288E-02 0.661E-02 RMM: 7 -0.320040580022E+03 -0.43845E-04 -0.68278E-05 3484 0.227E-02 0.105E-01 RMM: 8 -0.320040510359E+03 0.69663E-04 -0.35720E-05 3039 0.196E-02 0.279E-02 RMM: 9 -0.320040509989E+03 0.36952E-06 -0.97616E-06 2475 0.886E-03 5453 T= 6160. E= 0.67585870E+03 F= 0.62489941E+03 E0= 0.65324009E+03 EK= 0.50959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320118899457E+03 -0.78389E-01 -0.21492E-01 8640 0.237E+01 0.265E-01 RMM: 2 -0.320134708117E+03 -0.15809E-01 -0.12758E-01 5061 0.816E-01 0.864E-01 RMM: 3 -0.320128963745E+03 0.57444E-02 -0.12416E-02 5735 0.227E-01 0.179E-01 RMM: 4 -0.320129182132E+03 -0.21839E-03 -0.12172E-03 4906 0.848E-02 0.295E-01 RMM: 5 -0.320128667688E+03 0.51444E-03 -0.34150E-04 4062 0.477E-02 0.134E-01 RMM: 6 -0.320128566717E+03 0.10097E-03 -0.11967E-04 3835 0.300E-02 0.627E-02 RMM: 7 -0.320128609416E+03 -0.42699E-04 -0.69869E-05 3482 0.229E-02 0.101E-01 RMM: 8 -0.320128542332E+03 0.67084E-04 -0.39589E-05 3092 0.205E-02 0.253E-02 RMM: 9 -0.320128543202E+03 -0.86993E-06 -0.10040E-05 2474 0.911E-03 5454 T= 6164. E= 0.67600146E+03 F= 0.62501259E+03 E0= 0.65338890E+03 EK= 0.50989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320233999724E+03 -0.10546E+00 -0.21745E-01 8616 0.238E+01 0.259E-01 RMM: 2 -0.320249353574E+03 -0.15354E-01 -0.13488E-01 5115 0.817E-01 0.746E-01 RMM: 3 -0.320244723777E+03 0.46298E-02 -0.12578E-02 5780 0.218E-01 0.208E-01 RMM: 4 -0.320244835457E+03 -0.11168E-03 -0.12627E-03 4907 0.874E-02 0.293E-01 RMM: 5 -0.320244302494E+03 0.53296E-03 -0.38374E-04 4200 0.513E-02 0.115E-01 RMM: 6 -0.320244228743E+03 0.73751E-04 -0.94238E-05 3684 0.268E-02 0.593E-02 RMM: 7 -0.320244268297E+03 -0.39554E-04 -0.62927E-05 3422 0.216E-02 0.984E-02 RMM: 8 -0.320244207458E+03 0.60839E-04 -0.34840E-05 3001 0.193E-02 0.272E-02 RMM: 9 -0.320244206558E+03 0.89955E-06 -0.91900E-06 2469 0.856E-03 5455 T= 6263. E= 0.67691705E+03 F= 0.62510186E+03 E0= 0.65351097E+03 EK= 0.51815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320326507490E+03 -0.82300E-01 -0.20957E-01 8796 0.241E+01 0.270E-01 RMM: 2 -0.320339843070E+03 -0.13336E-01 -0.11401E-01 5175 0.753E-01 0.768E-01 RMM: 3 -0.320335096574E+03 0.47465E-02 -0.10284E-02 5715 0.208E-01 0.193E-01 RMM: 4 -0.320335409918E+03 -0.31334E-03 -0.12066E-03 4845 0.846E-02 0.317E-01 RMM: 5 -0.320334791177E+03 0.61874E-03 -0.36121E-04 4102 0.489E-02 0.127E-01 RMM: 6 -0.320334696549E+03 0.94628E-04 -0.10195E-04 3740 0.278E-02 0.587E-02 RMM: 7 -0.320334736725E+03 -0.40176E-04 -0.67053E-05 3450 0.222E-02 0.985E-02 RMM: 8 -0.320334673570E+03 0.63155E-04 -0.39023E-05 3064 0.200E-02 0.257E-02 RMM: 9 -0.320334673530E+03 0.39734E-07 -0.10597E-05 2471 0.940E-03 5456 T= 6424. E= 0.67835890E+03 F= 0.62521865E+03 E0= 0.65365689E+03 EK= 0.53140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320328040856E+03 0.66327E-02 -0.21384E-01 8736 0.244E+01 0.270E-01 RMM: 2 -0.320341271010E+03 -0.13230E-01 -0.11118E-01 5288 0.729E-01 0.773E-01 RMM: 3 -0.320336265066E+03 0.50059E-02 -0.93203E-03 5715 0.197E-01 0.203E-01 RMM: 4 -0.320336544152E+03 -0.27909E-03 -0.12447E-03 4803 0.866E-02 0.315E-01 RMM: 5 -0.320335901586E+03 0.64257E-03 -0.41696E-04 4223 0.533E-02 0.104E-01 RMM: 6 -0.320335846701E+03 0.54885E-04 -0.81473E-05 3585 0.249E-02 0.610E-02 RMM: 7 -0.320335883551E+03 -0.36850E-04 -0.61168E-05 3401 0.211E-02 0.987E-02 RMM: 8 -0.320335821114E+03 0.62438E-04 -0.35724E-05 2979 0.192E-02 0.263E-02 RMM: 9 -0.320335821024E+03 0.90047E-07 -0.10211E-05 2468 0.901E-03 5457 T= 6584. E= 0.67989648E+03 F= 0.62542635E+03 E0= 0.65389049E+03 EK= 0.54470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320181573543E+03 0.15425E+00 -0.21616E-01 8736 0.246E+01 0.276E-01 RMM: 2 -0.320194944494E+03 -0.13371E-01 -0.11740E-01 5146 0.758E-01 0.747E-01 RMM: 3 -0.320190394013E+03 0.45505E-02 -0.10946E-02 5754 0.210E-01 0.190E-01 RMM: 4 -0.320190685423E+03 -0.29141E-03 -0.12024E-03 4824 0.838E-02 0.316E-01 RMM: 5 -0.320190038170E+03 0.64725E-03 -0.38997E-04 4146 0.507E-02 0.112E-01 RMM: 6 -0.320189975473E+03 0.62696E-04 -0.98060E-05 3714 0.271E-02 0.654E-02 RMM: 7 -0.320190019352E+03 -0.43879E-04 -0.66023E-05 3451 0.219E-02 0.106E-01 RMM: 8 -0.320189945343E+03 0.74009E-04 -0.39323E-05 3063 0.198E-02 0.248E-02 RMM: 9 -0.320189946082E+03 -0.73872E-06 -0.11434E-05 2475 0.968E-03 5458 T= 6681. E= 0.68105327E+03 F= 0.62578284E+03 E0= 0.65426904E+03 EK= 0.55270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319853253150E+03 0.33669E+00 -0.22151E-01 8412 0.246E+01 0.270E-01 RMM: 2 -0.319868654645E+03 -0.15401E-01 -0.12852E-01 5075 0.801E-01 0.821E-01 RMM: 3 -0.319863219315E+03 0.54353E-02 -0.12413E-02 5880 0.215E-01 0.190E-01 RMM: 4 -0.319863430337E+03 -0.21102E-03 -0.12771E-03 4894 0.884E-02 0.316E-01 RMM: 5 -0.319862786721E+03 0.64362E-03 -0.41847E-04 4302 0.536E-02 0.103E-01 RMM: 6 -0.319862745048E+03 0.41673E-04 -0.98090E-05 3703 0.270E-02 0.711E-02 RMM: 7 -0.319862778317E+03 -0.33269E-04 -0.61406E-05 3405 0.213E-02 0.103E-01 RMM: 8 -0.319862709411E+03 0.68906E-04 -0.36239E-05 3002 0.192E-02 0.233E-02 RMM: 9 -0.319862710913E+03 -0.15020E-05 -0.96262E-06 2467 0.862E-03 5459 T= 6672. E= 0.68151789E+03 F= 0.62632341E+03 E0= 0.65482799E+03 EK= 0.55194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319348572191E+03 0.51414E+00 -0.20251E-01 8412 0.245E+01 0.278E-01 RMM: 2 -0.319362799404E+03 -0.14227E-01 -0.10969E-01 5171 0.737E-01 0.896E-01 RMM: 3 -0.319356682445E+03 0.61170E-02 -0.10165E-02 5801 0.206E-01 0.187E-01 RMM: 4 -0.319356905860E+03 -0.22342E-03 -0.11721E-03 4746 0.828E-02 0.299E-01 RMM: 5 -0.319356371079E+03 0.53478E-03 -0.37309E-04 4191 0.505E-02 0.133E-01 RMM: 6 -0.319356280748E+03 0.90331E-04 -0.13828E-04 3874 0.322E-02 0.725E-02 RMM: 7 -0.319356338532E+03 -0.57784E-04 -0.73109E-05 3540 0.235E-02 0.118E-01 RMM: 8 -0.319356246492E+03 0.92040E-04 -0.41334E-05 3135 0.203E-02 0.267E-02 RMM: 9 -0.319356246368E+03 0.12399E-06 -0.10137E-05 2481 0.896E-03 5460 T= 6559. E= 0.68131101E+03 F= 0.62704720E+03 E0= 0.65556574E+03 EK= 0.54264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318704650116E+03 0.65160E+00 -0.19393E-01 8196 0.241E+01 0.274E-01 RMM: 2 -0.318720489346E+03 -0.15839E-01 -0.11365E-01 5087 0.764E-01 0.980E-01 RMM: 3 -0.318713389929E+03 0.70994E-02 -0.11359E-02 5819 0.210E-01 0.183E-01 RMM: 4 -0.318713533552E+03 -0.14362E-03 -0.11798E-03 4761 0.840E-02 0.291E-01 RMM: 5 -0.318713025699E+03 0.50785E-03 -0.40536E-04 4362 0.540E-02 0.125E-01 RMM: 6 -0.318712967527E+03 0.58173E-04 -0.13725E-04 3877 0.313E-02 0.871E-02 RMM: 7 -0.318712998046E+03 -0.30519E-04 -0.76018E-05 3582 0.244E-02 0.111E-01 RMM: 8 -0.318712917008E+03 0.81038E-04 -0.40537E-05 3139 0.199E-02 0.260E-02 RMM: 9 -0.318712919383E+03 -0.23755E-05 -0.10683E-05 2478 0.914E-03 5461 T= 6390. E= 0.68077460E+03 F= 0.62791285E+03 E0= 0.65644149E+03 EK= 0.52862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317991361104E+03 0.72156E+00 -0.18674E-01 8184 0.238E+01 0.266E-01 RMM: 2 -0.318005568343E+03 -0.14207E-01 -0.10868E-01 5128 0.750E-01 0.890E-01 RMM: 3 -0.317999689198E+03 0.58791E-02 -0.10699E-02 5755 0.205E-01 0.185E-01 RMM: 4 -0.317999782079E+03 -0.92881E-04 -0.10945E-03 4750 0.806E-02 0.272E-01 RMM: 5 -0.317999336506E+03 0.44557E-03 -0.38611E-04 4305 0.526E-02 0.129E-01 RMM: 6 -0.317999283098E+03 0.53408E-04 -0.15546E-04 3880 0.333E-02 0.964E-02 RMM: 7 -0.317999306587E+03 -0.23489E-04 -0.81601E-05 3657 0.259E-02 0.113E-01 RMM: 8 -0.317999222036E+03 0.84551E-04 -0.41650E-05 3178 0.199E-02 0.252E-02 RMM: 9 -0.317999225979E+03 -0.39430E-05 -0.11476E-05 2485 0.955E-03 5462 T= 6230. E= 0.68039678E+03 F= 0.62885408E+03 E0= 0.65738857E+03 EK= 0.51543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317279816492E+03 0.71941E+00 -0.17812E-01 7920 0.235E+01 0.261E-01 RMM: 2 -0.317293716157E+03 -0.13900E-01 -0.10544E-01 5090 0.742E-01 0.884E-01 RMM: 3 -0.317288032270E+03 0.56839E-02 -0.10750E-02 5802 0.199E-01 0.183E-01 RMM: 4 -0.317288119662E+03 -0.87392E-04 -0.10699E-03 4730 0.811E-02 0.277E-01 RMM: 5 -0.317287646375E+03 0.47329E-03 -0.41068E-04 4404 0.551E-02 0.117E-01 RMM: 6 -0.317287622848E+03 0.23526E-04 -0.14825E-04 3880 0.323E-02 0.104E-01 RMM: 7 -0.317287618815E+03 0.40334E-05 -0.75995E-05 3600 0.253E-02 5463 T= 6141. E= 0.68060304E+03 F= 0.62979766E+03 E0= 0.65833530E+03 EK= 0.50805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316635310469E+03 0.65231E+00 -0.16540E-01 8004 0.234E+01 0.274E-01 RMM: 2 -0.316645046751E+03 -0.97363E-02 -0.86459E-02 5215 0.666E-01 0.683E-01 RMM: 3 -0.316641700388E+03 0.33464E-02 -0.78411E-03 5707 0.175E-01 0.207E-01 RMM: 4 -0.316642025162E+03 -0.32477E-03 -0.11024E-03 4657 0.833E-02 0.331E-01 RMM: 5 -0.316641310419E+03 0.71474E-03 -0.47249E-04 4375 0.572E-02 0.115E-01 RMM: 6 -0.316641318470E+03 -0.80510E-05 -0.16426E-04 3886 0.338E-02 5464 T= 6158. E= 0.68162298E+03 F= 0.63067876E+03 E0= 0.65921537E+03 EK= 0.50944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316100224266E+03 0.54109E+00 -0.16731E-01 7968 0.235E+01 0.406E-01 RMM: 2 -0.316128960500E+03 -0.28736E-01 -0.10157E-01 5058 0.765E-01 0.178E+00 RMM: 3 -0.316107106377E+03 0.21854E-01 -0.17067E-02 5351 0.316E-01 0.329E-01 RMM: 4 -0.316106526333E+03 0.58004E-03 -0.20232E-03 4967 0.946E-02 0.192E-01 RMM: 5 -0.316106570865E+03 -0.44532E-04 -0.53452E-04 4557 0.585E-02 0.230E-01 RMM: 6 -0.316106239739E+03 0.33113E-03 -0.28808E-04 3907 0.461E-02 0.785E-02 RMM: 7 -0.316106304282E+03 -0.64543E-04 -0.10067E-04 3748 0.275E-02 0.124E-01 RMM: 8 -0.316106216260E+03 0.88022E-04 -0.49165E-05 3282 0.219E-02 0.501E-02 RMM: 9 -0.316106203995E+03 0.12265E-04 -0.13652E-05 2524 0.112E-02 5465 T= 6283. E= 0.68343081E+03 F= 0.63144952E+03 E0= 0.65998612E+03 EK= 0.51981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315706113806E+03 0.40010E+00 -0.16684E-01 7740 0.238E+01 0.368E-01 RMM: 2 -0.315729752784E+03 -0.23639E-01 -0.91191E-02 5134 0.707E-01 0.160E+00 RMM: 3 -0.315712405774E+03 0.17347E-01 -0.13368E-02 5357 0.277E-01 0.355E-01 RMM: 4 -0.315711823030E+03 0.58274E-03 -0.19918E-03 4942 0.996E-02 0.234E-01 RMM: 5 -0.315711759264E+03 0.63766E-04 -0.44825E-04 4393 0.550E-02 0.221E-01 RMM: 6 -0.315711429192E+03 0.33007E-03 -0.16561E-04 3876 0.352E-02 0.552E-02 RMM: 7 -0.315711435095E+03 -0.59034E-05 -0.55002E-05 3320 0.203E-02 5466 T= 6485. E= 0.68572551E+03 F= 0.63207933E+03 E0= 0.66061224E+03 EK= 0.53646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315465760869E+03 0.24567E+00 -0.17396E-01 7836 0.241E+01 0.347E-01 RMM: 2 -0.315485867200E+03 -0.20106E-01 -0.95193E-02 5130 0.730E-01 0.139E+00 RMM: 3 -0.315472335221E+03 0.13532E-01 -0.11519E-02 5394 0.243E-01 0.258E-01 RMM: 4 -0.315472434039E+03 -0.98818E-04 -0.17721E-03 4847 0.963E-02 0.299E-01 RMM: 5 -0.315472017533E+03 0.41651E-03 -0.45473E-04 4346 0.540E-02 0.191E-01 RMM: 6 -0.315471787463E+03 0.23007E-03 -0.17897E-04 3881 0.359E-02 0.697E-02 RMM: 7 -0.315471847142E+03 -0.59679E-04 -0.99604E-05 3719 0.267E-02 0.118E-01 RMM: 8 -0.315471764611E+03 0.82531E-04 -0.49640E-05 3271 0.219E-02 0.445E-02 RMM: 9 -0.315471754751E+03 0.98605E-05 -0.12830E-05 2502 0.107E-02 5467 T= 6698. E= 0.68796051E+03 F= 0.63255295E+03 E0= 0.66108031E+03 EK= 0.55408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315388290972E+03 0.83474E-01 -0.17928E-01 7752 0.245E+01 0.297E-01 RMM: 2 -0.315403319206E+03 -0.15028E-01 -0.10797E-01 4977 0.769E-01 0.983E-01 RMM: 3 -0.315396493116E+03 0.68261E-02 -0.12025E-02 5578 0.222E-01 0.186E-01 RMM: 4 -0.315397016983E+03 -0.52387E-03 -0.13850E-03 4857 0.888E-02 0.357E-01 RMM: 5 -0.315396173458E+03 0.84353E-03 -0.43104E-04 4318 0.534E-02 0.113E-01 RMM: 6 -0.315396104491E+03 0.68967E-04 -0.10971E-04 3757 0.280E-02 0.620E-02 RMM: 7 -0.315396148259E+03 -0.43768E-04 -0.61388E-05 3403 0.216E-02 0.102E-01 RMM: 8 -0.315396081114E+03 0.67145E-04 -0.36459E-05 3025 0.190E-02 0.262E-02 RMM: 9 -0.315396081099E+03 0.15314E-07 -0.10172E-05 2473 0.887E-03 5468 T= 6844. E= 0.68948033E+03 F= 0.63286228E+03 E0= 0.66138050E+03 EK= 0.56618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315481241448E+03 -0.85160E-01 -0.18523E-01 7884 0.246E+01 0.313E-01 RMM: 2 -0.315497339449E+03 -0.16098E-01 -0.11975E-01 4902 0.822E-01 0.985E-01 RMM: 3 -0.315490412811E+03 0.69266E-02 -0.13829E-02 5620 0.240E-01 0.238E-01 RMM: 4 -0.315490508195E+03 -0.95384E-04 -0.15755E-03 4965 0.941E-02 0.310E-01 RMM: 5 -0.315489973879E+03 0.53432E-03 -0.42953E-04 4296 0.530E-02 0.156E-01 RMM: 6 -0.315489822038E+03 0.15184E-03 -0.12288E-04 3846 0.300E-02 0.597E-02 RMM: 7 -0.315489867810E+03 -0.45772E-04 -0.84784E-05 3613 0.248E-02 0.103E-01 RMM: 8 -0.315489801383E+03 0.66427E-04 -0.40580E-05 3119 0.202E-02 0.352E-02 RMM: 9 -0.315489796390E+03 0.49930E-05 -0.11051E-05 2485 0.952E-03 5469 T= 6864. E= 0.68979028E+03 F= 0.63300392E+03 E0= 0.66150924E+03 EK= 0.56786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315747058163E+03 -0.25726E+00 -0.19093E-01 7824 0.246E+01 0.307E-01 RMM: 2 -0.315763506716E+03 -0.16449E-01 -0.12449E-01 4849 0.833E-01 0.981E-01 RMM: 3 -0.315756660613E+03 0.68461E-02 -0.14444E-02 5699 0.241E-01 0.200E-01 RMM: 4 -0.315757052260E+03 -0.39165E-03 -0.15039E-03 4979 0.923E-02 0.355E-01 RMM: 5 -0.315756258220E+03 0.79404E-03 -0.47948E-04 4454 0.565E-02 0.128E-01 RMM: 6 -0.315756174091E+03 0.84129E-04 -0.13082E-04 3855 0.298E-02 0.702E-02 RMM: 7 -0.315756221053E+03 -0.46962E-04 -0.72841E-05 3526 0.233E-02 0.110E-01 RMM: 8 -0.315756142930E+03 0.78124E-04 -0.40877E-05 3122 0.202E-02 0.292E-02 RMM: 9 -0.315756143165E+03 -0.23499E-06 -0.11146E-05 2485 0.934E-03 5470 T= 6750. E= 0.68881574E+03 F= 0.63297716E+03 E0= 0.66146501E+03 EK= 0.55839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316184236020E+03 -0.42809E+00 -0.19049E-01 7920 0.244E+01 0.282E-01 RMM: 2 -0.316198653188E+03 -0.14417E-01 -0.12468E-01 4829 0.826E-01 0.780E-01 RMM: 3 -0.316194224052E+03 0.44291E-02 -0.14166E-02 5831 0.227E-01 0.217E-01 RMM: 4 -0.316194443003E+03 -0.21895E-03 -0.14095E-03 5034 0.930E-02 0.337E-01 RMM: 5 -0.316193758170E+03 0.68483E-03 -0.47878E-04 4495 0.579E-02 0.140E-01 RMM: 6 -0.316193648410E+03 0.10976E-03 -0.13683E-04 3871 0.307E-02 0.697E-02 RMM: 7 -0.316193685231E+03 -0.36821E-04 -0.74806E-05 3554 0.241E-02 0.102E-01 RMM: 8 -0.316193617432E+03 0.67799E-04 -0.37039E-05 3079 0.193E-02 0.238E-02 RMM: 9 -0.316193621616E+03 -0.41836E-05 -0.11155E-05 2480 0.933E-03 5471 T= 6547. E= 0.68694563E+03 F= 0.63278591E+03 E0= 0.66125232E+03 EK= 0.54160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316781304848E+03 -0.58769E+00 -0.19046E-01 7944 0.241E+01 0.295E-01 RMM: 2 -0.316798150589E+03 -0.16846E-01 -0.13732E-01 4748 0.878E-01 0.906E-01 RMM: 3 -0.316792332698E+03 0.58179E-02 -0.16293E-02 5857 0.242E-01 0.194E-01 RMM: 4 -0.316792606269E+03 -0.27357E-03 -0.15055E-03 5093 0.955E-02 0.349E-01 RMM: 5 -0.316791837784E+03 0.76849E-03 -0.50529E-04 4536 0.590E-02 0.126E-01 RMM: 6 -0.316791771176E+03 0.66608E-04 -0.13988E-04 3870 0.305E-02 0.833E-02 RMM: 7 -0.316791795520E+03 -0.24344E-04 -0.69897E-05 3497 0.236E-02 0.104E-01 RMM: 8 -0.316791725545E+03 0.69975E-04 -0.36200E-05 3072 0.190E-02 0.259E-02 RMM: 9 -0.316791728651E+03 -0.31056E-05 -0.10093E-05 2484 0.874E-03 5472 T= 6332. E= 0.68482089E+03 F= 0.63244218E+03 E0= 0.66088397E+03 EK= 0.52379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317520213150E+03 -0.72849E+00 -0.18416E-01 7932 0.239E+01 0.286E-01 RMM: 2 -0.317534004369E+03 -0.13791E-01 -0.13046E-01 4861 0.832E-01 0.683E-01 RMM: 3 -0.317530645339E+03 0.33590E-02 -0.14927E-02 5933 0.221E-01 0.209E-01 RMM: 4 -0.317530906086E+03 -0.26075E-03 -0.13711E-03 4944 0.925E-02 0.357E-01 RMM: 5 -0.317530099236E+03 0.80685E-03 -0.51815E-04 4545 0.602E-02 0.127E-01 RMM: 6 -0.317530032518E+03 0.66718E-04 -0.15553E-04 3873 0.325E-02 0.856E-02 RMM: 7 -0.317530058213E+03 -0.25695E-04 -0.63444E-05 3452 0.232E-02 0.106E-01 RMM: 8 -0.317529984112E+03 0.74101E-04 -0.30646E-05 2934 0.176E-02 0.246E-02 RMM: 9 -0.317529989131E+03 -0.50190E-05 -0.11274E-05 2483 0.935E-03 5473 T= 6175. E= 0.68304905E+03 F= 0.63196664E+03 E0= 0.66038220E+03 EK= 0.51082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318371121808E+03 -0.84114E+00 -0.18726E-01 7968 0.238E+01 0.302E-01 RMM: 2 -0.318385333980E+03 -0.14212E-01 -0.11470E-01 4871 0.798E-01 0.881E-01 RMM: 3 -0.318379781101E+03 0.55529E-02 -0.12925E-02 5786 0.220E-01 0.192E-01 RMM: 4 -0.318380207253E+03 -0.42615E-03 -0.15059E-03 4974 0.966E-02 0.368E-01 RMM: 5 -0.318379367815E+03 0.83944E-03 -0.53760E-04 4558 0.613E-02 0.138E-01 RMM: 6 -0.318379274755E+03 0.93060E-04 -0.15224E-04 3872 0.319E-02 0.825E-02 RMM: 7 -0.318379300051E+03 -0.25296E-04 -0.74558E-05 3550 0.246E-02 0.104E-01 RMM: 8 -0.318379229721E+03 0.70329E-04 -0.36852E-05 3092 0.191E-02 0.263E-02 RMM: 9 -0.318379233124E+03 -0.34025E-05 -0.10031E-05 2486 0.875E-03 5474 T= 6121. E= 0.68202186E+03 F= 0.63138727E+03 E0= 0.65977603E+03 EK= 0.50635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319297333340E+03 -0.91810E+00 -0.17425E-01 8352 0.239E+01 0.311E-01 RMM: 2 -0.319307595108E+03 -0.10262E-01 -0.84228E-02 5078 0.685E-01 0.818E-01 RMM: 3 -0.319303017725E+03 0.45774E-02 -0.92101E-03 5623 0.199E-01 0.215E-01 RMM: 4 -0.319303565389E+03 -0.54766E-03 -0.13741E-03 4746 0.904E-02 0.382E-01 RMM: 5 -0.319302622120E+03 0.94327E-03 -0.53381E-04 4552 0.606E-02 0.132E-01 RMM: 6 -0.319302541674E+03 0.80446E-04 -0.15934E-04 3874 0.326E-02 0.828E-02 RMM: 7 -0.319302578580E+03 -0.36906E-04 -0.69733E-05 3508 0.236E-02 0.112E-01 RMM: 8 -0.319302495469E+03 0.83111E-04 -0.36193E-05 3056 0.190E-02 0.267E-02 RMM: 9 -0.319302498666E+03 -0.31965E-05 -0.11592E-05 2488 0.956E-03 5475 T= 6179. E= 0.68185904E+03 F= 0.63073900E+03 E0= 0.65910175E+03 EK= 0.51120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320254879976E+03 -0.95238E+00 -0.17269E-01 8412 0.241E+01 0.328E-01 RMM: 2 -0.320267170292E+03 -0.12290E-01 -0.79684E-02 5147 0.669E-01 0.103E+00 RMM: 3 -0.320259940084E+03 0.72302E-02 -0.86811E-03 5570 0.197E-01 0.211E-01 RMM: 4 -0.320260510633E+03 -0.57055E-03 -0.16193E-03 4813 0.990E-02 0.382E-01 RMM: 5 -0.320259621689E+03 0.88894E-03 -0.53815E-04 4511 0.607E-02 0.158E-01 RMM: 6 -0.320259474811E+03 0.14688E-03 -0.15912E-04 3879 0.329E-02 0.726E-02 RMM: 7 -0.320259515498E+03 -0.40687E-04 -0.81507E-05 3627 0.250E-02 0.108E-01 RMM: 8 -0.320259439527E+03 0.75971E-04 -0.39752E-05 3133 0.198E-02 0.287E-02 RMM: 9 -0.320259440659E+03 -0.11327E-05 -0.10488E-05 2485 0.902E-03 5476 T= 6328. E= 0.68241110E+03 F= 0.63006000E+03 E0= 0.65839820E+03 EK= 0.52351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321203952561E+03 -0.94451E+00 -0.18019E-01 8232 0.244E+01 0.325E-01 RMM: 2 -0.321216039705E+03 -0.12087E-01 -0.96829E-02 4959 0.740E-01 0.881E-01 RMM: 3 -0.321210760972E+03 0.52787E-02 -0.11008E-02 5589 0.216E-01 0.225E-01 RMM: 4 -0.321211369620E+03 -0.60865E-03 -0.15518E-03 4890 0.954E-02 0.400E-01 RMM: 5 -0.321210330250E+03 0.10394E-02 -0.56369E-04 4565 0.617E-02 0.135E-01 RMM: 6 -0.321210238982E+03 0.91268E-04 -0.15854E-04 3880 0.324E-02 0.778E-02 RMM: 7 -0.321210280510E+03 -0.41528E-04 -0.73111E-05 3541 0.236E-02 0.111E-01 RMM: 8 -0.321210198300E+03 0.82210E-04 -0.38987E-05 3095 0.197E-02 0.294E-02 RMM: 9 -0.321210199141E+03 -0.84167E-06 -0.11753E-05 2488 0.976E-03 5477 T= 6516. E= 0.68329227E+03 F= 0.62938867E+03 E0= 0.65770466E+03 EK= 0.53904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322116482717E+03 -0.90628E+00 -0.17508E-01 8172 0.247E+01 0.334E-01 RMM: 2 -0.322129842286E+03 -0.13360E-01 -0.84473E-02 5077 0.699E-01 0.108E+00 RMM: 3 -0.322121924544E+03 0.79177E-02 -0.93118E-03 5523 0.205E-01 0.206E-01 RMM: 4 -0.322122583971E+03 -0.65943E-03 -0.17218E-03 4910 0.102E-01 0.394E-01 RMM: 5 -0.322121622724E+03 0.96125E-03 -0.55849E-04 4566 0.618E-02 0.155E-01 RMM: 6 -0.322121478935E+03 0.14379E-03 -0.15970E-04 3881 0.326E-02 0.713E-02 RMM: 7 -0.322121510890E+03 -0.31955E-04 -0.75196E-05 3553 0.243E-02 0.101E-01 RMM: 8 -0.322121444924E+03 0.65966E-04 -0.36156E-05 3060 0.191E-02 0.283E-02 RMM: 9 -0.322121446480E+03 -0.15561E-05 -0.10581E-05 2482 0.909E-03 5478 T= 6674. E= 0.68397288E+03 F= 0.62875812E+03 E0= 0.65705505E+03 EK= 0.55215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322967948724E+03 -0.84650E+00 -0.17822E-01 8256 0.248E+01 0.319E-01 RMM: 2 -0.322978510632E+03 -0.10562E-01 -0.86187E-02 4987 0.702E-01 0.829E-01 RMM: 3 -0.322973821539E+03 0.46891E-02 -0.95207E-03 5497 0.206E-01 0.227E-01 RMM: 4 -0.322974486132E+03 -0.66459E-03 -0.15174E-03 4888 0.955E-02 0.402E-01 RMM: 5 -0.322973427963E+03 0.10582E-02 -0.56629E-04 4559 0.620E-02 0.131E-01 RMM: 6 -0.322973345028E+03 0.82935E-04 -0.15230E-04 3878 0.317E-02 0.795E-02 RMM: 7 -0.322973378745E+03 -0.33717E-04 -0.71710E-05 3527 0.236E-02 0.107E-01 RMM: 8 -0.322973302858E+03 0.75887E-04 -0.37804E-05 3071 0.195E-02 0.280E-02 RMM: 9 -0.322973305135E+03 -0.22777E-05 -0.11513E-05 2487 0.965E-03 5479 T= 6742. E= 0.68396752E+03 F= 0.62818930E+03 E0= 0.65647164E+03 EK= 0.55778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323758106544E+03 -0.78480E+00 -0.18023E-01 7968 0.247E+01 0.318E-01 RMM: 2 -0.323770211711E+03 -0.12105E-01 -0.86531E-02 5066 0.686E-01 0.959E-01 RMM: 3 -0.323763875017E+03 0.63367E-02 -0.90910E-03 5551 0.193E-01 0.194E-01 RMM: 4 -0.323764536117E+03 -0.66110E-03 -0.16187E-03 4873 0.101E-01 0.392E-01 RMM: 5 -0.323763557397E+03 0.97872E-03 -0.57364E-04 4577 0.630E-02 0.137E-01 RMM: 6 -0.323763467322E+03 0.90075E-04 -0.16420E-04 3881 0.330E-02 0.860E-02 RMM: 7 -0.323763469511E+03 -0.21892E-05 -0.66708E-05 3476 0.240E-02 5480 T= 6694. E= 0.68306158E+03 F= 0.62768652E+03 E0= 0.65595989E+03 EK= 0.55375E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324502313352E+03 -0.73885E+00 -0.17887E-01 8076 0.244E+01 0.324E-01 RMM: 2 -0.324511022018E+03 -0.87087E-02 -0.76767E-02 5085 0.652E-01 0.735E-01 RMM: 3 -0.324507390027E+03 0.36320E-02 -0.81384E-03 5473 0.189E-01 0.260E-01 RMM: 4 -0.324507972653E+03 -0.58263E-03 -0.15671E-03 4869 0.988E-02 0.408E-01 RMM: 5 -0.324506876924E+03 0.10957E-02 -0.68487E-04 4598 0.694E-02 0.129E-01 RMM: 6 -0.324506834705E+03 0.42219E-04 -0.16567E-04 3882 0.328E-02 0.108E-01 RMM: 7 -0.324506821513E+03 0.13192E-04 -0.89889E-05 3713 0.274E-02 5481 T= 6550. E= 0.68142332E+03 F= 0.62723706E+03 E0= 0.65550948E+03 EK= 0.54186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325224237385E+03 -0.71740E+00 -0.17865E-01 7992 0.240E+01 0.314E-01 RMM: 2 -0.325235255073E+03 -0.11018E-01 -0.90571E-02 4996 0.704E-01 0.827E-01 RMM: 3 -0.325230567817E+03 0.46873E-02 -0.97851E-03 5629 0.196E-01 0.226E-01 RMM: 4 -0.325231063475E+03 -0.49566E-03 -0.16092E-03 4943 0.101E-01 0.384E-01 RMM: 5 -0.325230170128E+03 0.89335E-03 -0.66465E-04 4597 0.685E-02 0.158E-01 RMM: 6 -0.325230045869E+03 0.12426E-03 -0.22048E-04 3894 0.391E-02 0.912E-02 RMM: 7 -0.325230085433E+03 -0.39565E-04 -0.85840E-05 3672 0.274E-02 0.118E-01 RMM: 8 -0.325229994079E+03 0.91354E-04 -0.39437E-05 3129 0.195E-02 0.304E-02 RMM: 9 -0.325229999527E+03 -0.54483E-05 -0.13529E-05 2505 0.105E-02 5482 T= 6369. E= 0.67950775E+03 F= 0.62681582E+03 E0= 0.65509623E+03 EK= 0.52692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325956317651E+03 -0.72632E+00 -0.16637E-01 8112 0.236E+01 0.288E-01 RMM: 2 -0.325965421826E+03 -0.91042E-02 -0.76524E-02 5086 0.628E-01 0.742E-01 RMM: 3 -0.325961447875E+03 0.39740E-02 -0.77056E-03 5494 0.182E-01 0.202E-01 RMM: 4 -0.325962085431E+03 -0.63756E-03 -0.13001E-03 4813 0.919E-02 0.388E-01 RMM: 5 -0.325961079623E+03 0.10058E-02 -0.51982E-04 4550 0.606E-02 0.948E-02 RMM: 6 -0.325961094919E+03 -0.15296E-04 -0.14465E-04 3867 0.306E-02 5483 T= 6218. E= 0.67783483E+03 F= 0.62639502E+03 E0= 0.65469153E+03 EK= 0.51440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326715078398E+03 -0.75400E+00 -0.16460E-01 8172 0.233E+01 0.408E-01 RMM: 2 -0.326733865741E+03 -0.18787E-01 -0.80607E-02 5148 0.664E-01 0.144E+00 RMM: 3 -0.326719557622E+03 0.14308E-01 -0.11385E-02 5371 0.252E-01 0.297E-01 RMM: 4 -0.326719895979E+03 -0.33836E-03 -0.22202E-03 5098 0.110E-01 0.388E-01 RMM: 5 -0.326719252408E+03 0.64357E-03 -0.84178E-04 4608 0.760E-02 0.262E-01 RMM: 6 -0.326718820861E+03 0.43155E-03 -0.36373E-04 3968 0.508E-02 0.960E-02 RMM: 7 -0.326718919439E+03 -0.98578E-04 -0.15743E-04 3876 0.349E-02 0.156E-01 RMM: 8 -0.326718767806E+03 0.15163E-03 -0.83654E-05 3626 0.277E-02 0.465E-02 RMM: 9 -0.326718765940E+03 0.18660E-05 -0.19269E-05 2578 0.131E-02 5484 T= 6146. E= 0.67679669E+03 F= 0.62595485E+03 E0= 0.65427619E+03 EK= 0.50842E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327503004706E+03 -0.78424E+00 -0.16508E-01 8160 0.232E+01 0.378E-01 RMM: 2 -0.327523305472E+03 -0.20301E-01 -0.84910E-02 5081 0.674E-01 0.147E+00 RMM: 3 -0.327508212022E+03 0.15093E-01 -0.11636E-02 5379 0.255E-01 0.343E-01 RMM: 4 -0.327508080522E+03 0.13150E-03 -0.22472E-03 5096 0.110E-01 0.327E-01 RMM: 5 -0.327507730343E+03 0.35018E-03 -0.64854E-04 4603 0.680E-02 0.248E-01 RMM: 6 -0.327507304506E+03 0.42584E-03 -0.21355E-04 3878 0.387E-02 0.515E-02 RMM: 7 -0.327507365073E+03 -0.60568E-04 -0.97185E-05 3702 0.265E-02 0.108E-01 RMM: 8 -0.327507291758E+03 0.73315E-04 -0.42524E-05 3172 0.206E-02 0.295E-02 RMM: 9 -0.327507290577E+03 0.11807E-05 -0.89784E-06 2481 0.845E-03 5485 T= 6174. E= 0.67656301E+03 F= 0.62548891E+03 E0= 0.65384065E+03 EK= 0.51074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328306487839E+03 -0.79920E+00 -0.16720E-01 8100 0.233E+01 0.375E-01 RMM: 2 -0.328324314396E+03 -0.17827E-01 -0.95588E-02 5053 0.706E-01 0.128E+00 RMM: 3 -0.328312546862E+03 0.11768E-01 -0.11232E-02 5423 0.235E-01 0.272E-01 RMM: 4 -0.328313034872E+03 -0.48801E-03 -0.22919E-03 5092 0.113E-01 0.402E-01 RMM: 5 -0.328312139800E+03 0.89507E-03 -0.76979E-04 4607 0.742E-02 0.199E-01 RMM: 6 -0.328311892861E+03 0.24694E-03 -0.20630E-04 3884 0.372E-02 0.735E-02 RMM: 7 -0.328311958117E+03 -0.65256E-04 -0.96616E-05 3752 0.272E-02 0.125E-01 RMM: 8 -0.328311858961E+03 0.99156E-04 -0.43814E-05 3217 0.205E-02 0.363E-02 RMM: 9 -0.328311857147E+03 0.18135E-05 -0.13087E-05 2502 0.103E-02 5486 T= 6292. E= 0.67706052E+03 F= 0.62500954E+03 E0= 0.65339571E+03 EK= 0.52051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329095445562E+03 -0.78359E+00 -0.17504E-01 8388 0.236E+01 0.351E-01 RMM: 2 -0.329107852501E+03 -0.12407E-01 -0.10363E-01 5079 0.721E-01 0.867E-01 RMM: 3 -0.329102448148E+03 0.54044E-02 -0.11104E-02 5532 0.218E-01 0.268E-01 RMM: 4 -0.329103307795E+03 -0.85965E-03 -0.18802E-03 4978 0.105E-01 0.467E-01 RMM: 5 -0.329101948494E+03 0.13593E-02 -0.72158E-04 4565 0.692E-02 0.157E-01 RMM: 6 -0.329101813815E+03 0.13468E-03 -0.17662E-04 3874 0.340E-02 0.761E-02 RMM: 7 -0.329101864849E+03 -0.51034E-04 -0.76702E-05 3573 0.240E-02 0.115E-01 RMM: 8 -0.329101777126E+03 0.87724E-04 -0.41526E-05 3153 0.200E-02 0.276E-02 RMM: 9 -0.329101784126E+03 -0.70004E-05 -0.14617E-05 2512 0.109E-02 5487 T= 6460. E= 0.67798686E+03 F= 0.62454551E+03 E0= 0.65296716E+03 EK= 0.53441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329827929987E+03 -0.72615E+00 -0.19253E-01 8328 0.239E+01 0.348E-01 RMM: 2 -0.329841708226E+03 -0.13778E-01 -0.12588E-01 5024 0.801E-01 0.792E-01 RMM: 3 -0.329837057362E+03 0.46509E-02 -0.13158E-02 5695 0.224E-01 0.255E-01 RMM: 4 -0.329837695710E+03 -0.63835E-03 -0.19008E-03 5005 0.107E-01 0.438E-01 RMM: 5 -0.329836461039E+03 0.12347E-02 -0.75375E-04 4605 0.721E-02 0.136E-01 RMM: 6 -0.329836369283E+03 0.91757E-04 -0.14435E-04 3871 0.304E-02 0.810E-02 RMM: 7 -0.329836396708E+03 -0.27425E-04 -0.72917E-05 3530 0.237E-02 0.107E-01 RMM: 8 -0.329836324427E+03 0.72281E-04 -0.41013E-05 3139 0.198E-02 0.275E-02 RMM: 9 -0.329836331915E+03 -0.74878E-05 -0.14156E-05 2503 0.106E-02 5488 T= 6617. E= 0.67887924E+03 F= 0.62413690E+03 E0= 0.65259200E+03 EK= 0.54742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330471047777E+03 -0.63472E+00 -0.18788E-01 8700 0.241E+01 0.353E-01 RMM: 2 -0.330484133433E+03 -0.13086E-01 -0.10669E-01 5117 0.731E-01 0.902E-01 RMM: 3 -0.330478268772E+03 0.58647E-02 -0.10679E-02 5560 0.214E-01 0.271E-01 RMM: 4 -0.330478970190E+03 -0.70142E-03 -0.19622E-03 4995 0.109E-01 0.446E-01 RMM: 5 -0.330477733448E+03 0.12367E-02 -0.77811E-04 4585 0.731E-02 0.160E-01 RMM: 6 -0.330477595012E+03 0.13844E-03 -0.17170E-04 3876 0.338E-02 0.799E-02 RMM: 7 -0.330477647788E+03 -0.52777E-04 -0.90320E-05 3686 0.259E-02 0.121E-01 RMM: 8 -0.330477555176E+03 0.92612E-04 -0.46359E-05 3232 0.209E-02 0.346E-02 RMM: 9 -0.330477555130E+03 0.46042E-07 -0.13509E-05 2503 0.104E-02 5489 T= 6702. E= 0.67926663E+03 F= 0.62382241E+03 E0= 0.65230751E+03 EK= 0.55444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330993577672E+03 -0.51602E+00 -0.19007E-01 8532 0.242E+01 0.349E-01 RMM: 2 -0.331006899361E+03 -0.13322E-01 -0.10647E-01 5107 0.722E-01 0.914E-01 RMM: 3 -0.331000588425E+03 0.63109E-02 -0.10175E-02 5571 0.213E-01 0.239E-01 RMM: 4 -0.331001470049E+03 -0.88162E-03 -0.18669E-03 4987 0.105E-01 0.455E-01 RMM: 5 -0.331000188827E+03 0.12812E-02 -0.72445E-04 4599 0.712E-02 0.164E-01 RMM: 6 -0.331000046423E+03 0.14240E-03 -0.20083E-04 3894 0.362E-02 0.866E-02 RMM: 7 -0.331000098854E+03 -0.52431E-04 -0.93879E-05 3688 0.270E-02 0.126E-01 RMM: 8 -0.330999996985E+03 0.10187E-03 -0.49112E-05 3266 0.213E-02 0.288E-02 RMM: 9 -0.331000004420E+03 -0.74350E-05 -0.13804E-05 2515 0.104E-02 5490 T= 6679. E= 0.67888076E+03 F= 0.62362930E+03 E0= 0.65214014E+03 EK= 0.55251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331390017628E+03 -0.39002E+00 -0.18803E-01 8616 0.241E+01 0.335E-01 RMM: 2 -0.331401608560E+03 -0.11591E-01 -0.10322E-01 5195 0.705E-01 0.775E-01 RMM: 3 -0.331396869548E+03 0.47390E-02 -0.94147E-03 5576 0.203E-01 0.270E-01 RMM: 4 -0.331397467602E+03 -0.59805E-03 -0.17531E-03 4929 0.104E-01 0.427E-01 RMM: 5 -0.331396339564E+03 0.11280E-02 -0.77422E-04 4600 0.744E-02 0.159E-01 RMM: 6 -0.331396221731E+03 0.11783E-03 -0.17896E-04 3883 0.343E-02 0.941E-02 RMM: 7 -0.331396229703E+03 -0.79720E-05 -0.85245E-05 3713 0.268E-02 5491 T= 6556. E= 0.67780028E+03 F= 0.62356720E+03 E0= 0.65210051E+03 EK= 0.54233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331676886912E+03 -0.28067E+00 -0.17835E-01 8760 0.238E+01 0.348E-01 RMM: 2 -0.331686394102E+03 -0.95072E-02 -0.92429E-02 5356 0.651E-01 0.678E-01 RMM: 3 -0.331682652564E+03 0.37415E-02 -0.75013E-03 5549 0.181E-01 0.276E-01 RMM: 4 -0.331683384422E+03 -0.73186E-03 -0.17332E-03 4868 0.106E-01 0.459E-01 RMM: 5 -0.331682009713E+03 0.13747E-02 -0.89793E-04 4603 0.806E-02 0.134E-01 RMM: 6 -0.331682050722E+03 -0.41009E-04 -0.24556E-04 3896 0.397E-02 0.159E-01 RMM: 7 -0.331681954919E+03 0.95803E-04 -0.12214E-04 3864 0.337E-02 0.105E-01 RMM: 8 -0.331681887889E+03 0.67030E-04 -0.44390E-05 3210 0.197E-02 0.359E-02 RMM: 9 -0.331681905747E+03 -0.17858E-04 -0.18298E-05 2551 0.121E-02 5492 T= 6381. E= 0.67641189E+03 F= 0.62362202E+03 E0= 0.65217527E+03 EK= 0.52790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331883531933E+03 -0.20164E+00 -0.17310E-01 8472 0.236E+01 0.289E-01 RMM: 2 -0.331894490262E+03 -0.10958E-01 -0.97911E-02 5229 0.682E-01 0.703E-01 RMM: 3 -0.331890307880E+03 0.41824E-02 -0.84476E-03 5587 0.188E-01 0.221E-01 RMM: 4 -0.331890847319E+03 -0.53944E-03 -0.13991E-03 4831 0.947E-02 0.397E-01 RMM: 5 -0.331889862403E+03 0.98492E-03 -0.69011E-04 4593 0.719E-02 0.125E-01 RMM: 6 -0.331889855888E+03 0.65153E-05 -0.20975E-04 3895 0.375E-02 0.123E-01 RMM: 7 -0.331889830846E+03 0.25041E-04 -0.87625E-05 3716 0.284E-02 0.108E-01 RMM: 8 -0.331889753341E+03 0.77505E-04 -0.36442E-05 3096 0.184E-02 0.249E-02 RMM: 9 -0.331889757505E+03 -0.41636E-05 -0.96390E-06 2478 0.882E-03 5493 T= 6220. E= 0.67522097E+03 F= 0.62376133E+03 E0= 0.65233332E+03 EK= 0.51460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332053970774E+03 -0.16422E+00 -0.16292E-01 8616 0.234E+01 0.334E-01 RMM: 2 -0.332062378956E+03 -0.84082E-02 -0.82321E-02 5313 0.633E-01 0.666E-01 RMM: 3 -0.332059036471E+03 0.33425E-02 -0.70754E-03 5588 0.178E-01 0.256E-01 RMM: 4 -0.332059751646E+03 -0.71518E-03 -0.15511E-03 4801 0.100E-01 0.445E-01 RMM: 5 -0.332058486805E+03 0.12648E-02 -0.82023E-04 4604 0.777E-02 0.143E-01 RMM: 6 -0.332058475472E+03 0.11333E-04 -0.27494E-04 3898 0.429E-02 0.142E-01 RMM: 7 -0.332058412065E+03 0.63407E-04 -0.11981E-04 3843 0.344E-02 0.107E-01 RMM: 8 -0.332058340976E+03 0.71090E-04 -0.35563E-05 3054 0.181E-02 0.346E-02 RMM: 9 -0.332058352057E+03 -0.11081E-04 -0.18373E-05 2528 0.124E-02 5494 T= 6129. E= 0.67465070E+03 F= 0.62394532E+03 E0= 0.65253489E+03 EK= 0.50705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332215765470E+03 -0.15742E+00 -0.15846E-01 8568 0.234E+01 0.331E-01 RMM: 2 -0.332227204159E+03 -0.11439E-01 -0.78335E-02 5290 0.624E-01 0.949E-01 RMM: 3 -0.332220521487E+03 0.66827E-02 -0.72300E-03 5434 0.186E-01 0.232E-01 RMM: 4 -0.332221314181E+03 -0.79269E-03 -0.16901E-03 4832 0.103E-01 0.438E-01 RMM: 5 -0.332220142202E+03 0.11720E-02 -0.80314E-04 4597 0.776E-02 0.153E-01 RMM: 6 -0.332220074184E+03 0.68018E-04 -0.22329E-04 3881 0.384E-02 0.121E-01 RMM: 7 -0.332220046775E+03 0.27408E-04 -0.10937E-04 3850 0.321E-02 0.104E-01 RMM: 8 -0.332219980403E+03 0.66372E-04 -0.36853E-05 3117 0.186E-02 0.310E-02 RMM: 9 -0.332219990703E+03 -0.10300E-04 -0.13270E-05 2509 0.104E-02 5495 T= 6139. E= 0.67492457E+03 F= 0.62413918E+03 E0= 0.65274616E+03 EK= 0.50785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332390413948E+03 -0.17043E+00 -0.15543E-01 8388 0.235E+01 0.330E-01 RMM: 2 -0.332397745815E+03 -0.73319E-02 -0.67424E-02 5415 0.577E-01 0.701E-01 RMM: 3 -0.332394226347E+03 0.35195E-02 -0.58354E-03 5415 0.168E-01 0.258E-01 RMM: 4 -0.332395021062E+03 -0.79471E-03 -0.14772E-03 4684 0.967E-02 0.444E-01 RMM: 5 -0.332393726160E+03 0.12949E-02 -0.72022E-04 4602 0.724E-02 0.132E-01 RMM: 6 -0.332393697178E+03 0.28981E-04 -0.21117E-04 3882 0.375E-02 0.120E-01 RMM: 7 -0.332393686923E+03 0.10255E-04 -0.89674E-05 3707 0.288E-02 5496 T= 6250. E= 0.67602205E+03 F= 0.62432094E+03 E0= 0.65294361E+03 EK= 0.51701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332575603422E+03 -0.18191E+00 -0.15985E-01 8136 0.238E+01 0.377E-01 RMM: 2 -0.332584210720E+03 -0.86073E-02 -0.72293E-02 5157 0.619E-01 0.820E-01 RMM: 3 -0.332579638182E+03 0.45725E-02 -0.73463E-03 5440 0.183E-01 0.287E-01 RMM: 4 -0.332580657470E+03 -0.10193E-02 -0.20517E-03 5018 0.114E-01 0.506E-01 RMM: 5 -0.332579015093E+03 0.16424E-02 -0.10067E-03 4608 0.854E-02 0.141E-01 RMM: 6 -0.332578990868E+03 0.24225E-04 -0.21279E-04 3890 0.374E-02 0.133E-01 RMM: 7 -0.332578947835E+03 0.43033E-04 -0.10912E-04 3870 0.310E-02 0.107E-01 RMM: 8 -0.332578877569E+03 0.70265E-04 -0.46820E-05 3251 0.203E-02 0.360E-02 RMM: 9 -0.332578892896E+03 -0.15327E-04 -0.19139E-05 2541 0.126E-02 5497 T= 6429. E= 0.67767233E+03 F= 0.62448878E+03 E0= 0.65312681E+03 EK= 0.53184E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332747297398E+03 -0.16842E+00 -0.16012E-01 7824 0.242E+01 0.311E-01 RMM: 2 -0.332754198951E+03 -0.69016E-02 -0.66192E-02 5185 0.590E-01 0.658E-01 RMM: 3 -0.332751252909E+03 0.29460E-02 -0.65059E-03 5409 0.177E-01 0.247E-01 RMM: 4 -0.332752008192E+03 -0.75528E-03 -0.11520E-03 4674 0.836E-02 0.427E-01 RMM: 5 -0.332750783803E+03 0.12244E-02 -0.51099E-04 4551 0.601E-02 0.892E-02 RMM: 6 -0.332750771908E+03 0.11896E-04 -0.14222E-04 3871 0.308E-02 5498 T= 6615. E= 0.67939370E+03 F= 0.62466657E+03 E0= 0.65331849E+03 EK= 0.54727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332860839494E+03 -0.11006E+00 -0.16620E-01 7920 0.244E+01 0.414E-01 RMM: 2 -0.332876902664E+03 -0.16063E-01 -0.72376E-02 5236 0.627E-01 0.134E+00 RMM: 3 -0.332864348520E+03 0.12554E-01 -0.89223E-03 5350 0.221E-01 0.291E-01 RMM: 4 -0.332865596348E+03 -0.12478E-02 -0.26419E-03 5270 0.125E-01 0.527E-01 RMM: 5 -0.332863893550E+03 0.17028E-02 -0.10090E-03 4601 0.853E-02 0.198E-01 RMM: 6 -0.332863670288E+03 0.22326E-03 -0.25394E-04 3901 0.416E-02 0.957E-02 RMM: 7 -0.332863748909E+03 -0.78621E-04 -0.13515E-04 3877 0.316E-02 0.147E-01 RMM: 8 -0.332863612353E+03 0.13656E-03 -0.69898E-05 3503 0.249E-02 0.422E-02 RMM: 9 -0.332863613213E+03 -0.85937E-06 -0.18510E-05 2549 0.124E-02 5499 T= 6736. E= 0.68062954E+03 F= 0.62490076E+03 E0= 0.65356765E+03 EK= 0.55729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332866599250E+03 -0.29869E-02 -0.16967E-01 8004 0.245E+01 0.405E-01 RMM: 2 -0.332889257981E+03 -0.22659E-01 -0.79020E-02 5173 0.670E-01 0.165E+00 RMM: 3 -0.332870520352E+03 0.18738E-01 -0.10599E-02 5370 0.245E-01 0.264E-01 RMM: 4 -0.332871385737E+03 -0.86539E-03 -0.26430E-03 5257 0.122E-01 0.456E-01 RMM: 5 -0.332870252932E+03 0.11328E-02 -0.77448E-04 4599 0.747E-02 0.217E-01 RMM: 6 -0.332869941839E+03 0.31109E-03 -0.21660E-04 3896 0.392E-02 0.582E-02 RMM: 7 -0.332869999719E+03 -0.57880E-04 -0.77413E-05 3567 0.238E-02 0.110E-01 RMM: 8 -0.332869922669E+03 0.77050E-04 -0.38197E-05 3084 0.198E-02 0.305E-02 RMM: 9 -0.332869922985E+03 -0.31531E-06 -0.10881E-05 2488 0.942E-03 5500 T= 6738. E= 0.68098506E+03 F= 0.62524105E+03 E0= 0.65392336E+03 EK= 0.55744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332737569922E+03 0.13235E+00 -0.17087E-01 8136 0.243E+01 0.389E-01 RMM: 2 -0.332750013628E+03 -0.12444E-01 -0.82350E-02 5248 0.669E-01 0.108E+00 RMM: 3 -0.332742120114E+03 0.78935E-02 -0.93864E-03 5356 0.222E-01 0.294E-01 RMM: 4 -0.332743062127E+03 -0.94201E-03 -0.22869E-03 5160 0.118E-01 0.479E-01 RMM: 5 -0.332741601079E+03 0.14610E-02 -0.85580E-04 4606 0.777E-02 0.170E-01 RMM: 6 -0.332741444255E+03 0.15682E-03 -0.18659E-04 3880 0.354E-02 0.888E-02 RMM: 7 -0.332741494732E+03 -0.50476E-04 -0.10845E-04 3818 0.283E-02 0.126E-01 RMM: 8 -0.332741392573E+03 0.10216E-03 -0.56937E-05 3368 0.228E-02 0.347E-02 RMM: 9 -0.332741396212E+03 -0.36386E-05 -0.16908E-05 2538 0.118E-02 5501 T= 6616. E= 0.68044807E+03 F= 0.62571846E+03 E0= 0.65441914E+03 EK= 0.54730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332476013571E+03 0.26538E+00 -0.16930E-01 8436 0.239E+01 0.365E-01 RMM: 2 -0.332487545237E+03 -0.11532E-01 -0.88511E-02 5147 0.681E-01 0.950E-01 RMM: 3 -0.332481487302E+03 0.60579E-02 -0.93975E-03 5461 0.206E-01 0.261E-01 RMM: 4 -0.332482429050E+03 -0.94175E-03 -0.20386E-03 5027 0.111E-01 0.477E-01 RMM: 5 -0.332480993361E+03 0.14357E-02 -0.84894E-04 4604 0.782E-02 0.153E-01 RMM: 6 -0.332480895109E+03 0.98252E-04 -0.19314E-04 3882 0.358E-02 0.101E-01 RMM: 7 -0.332480912952E+03 -0.17843E-04 -0.86144E-05 3639 0.268E-02 5502 T= 6416. E= 0.67940762E+03 F= 0.62633236E+03 E0= 0.65505506E+03 EK= 0.53075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332114984574E+03 0.36591E+00 -0.16960E-01 8124 0.235E+01 0.367E-01 RMM: 2 -0.332124971008E+03 -0.99864E-02 -0.96110E-02 5134 0.702E-01 0.733E-01 RMM: 3 -0.332121263473E+03 0.37075E-02 -0.99662E-03 5564 0.204E-01 0.302E-01 RMM: 4 -0.332122139643E+03 -0.87617E-03 -0.20441E-03 5057 0.114E-01 0.493E-01 RMM: 5 -0.332120526813E+03 0.16128E-02 -0.98615E-04 4607 0.841E-02 0.124E-01 RMM: 6 -0.332120564937E+03 -0.38124E-04 -0.22615E-04 3901 0.385E-02 0.148E-01 RMM: 7 -0.332120499781E+03 0.65156E-04 -0.11342E-04 3860 0.314E-02 0.113E-01 RMM: 8 -0.332120422684E+03 0.77098E-04 -0.52035E-05 3307 0.213E-02 0.384E-02 RMM: 9 -0.332120437123E+03 -0.14439E-04 -0.19872E-05 2568 0.127E-02 5503 T= 6214. E= 0.67845478E+03 F= 0.62705154E+03 E0= 0.65579995E+03 EK= 0.51403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331699483141E+03 0.42094E+00 -0.16253E-01 8328 0.231E+01 0.332E-01 RMM: 2 -0.331712165153E+03 -0.12682E-01 -0.83335E-02 5284 0.645E-01 0.104E+00 RMM: 3 -0.331704424168E+03 0.77410E-02 -0.79092E-03 5441 0.194E-01 0.226E-01 RMM: 4 -0.331705226418E+03 -0.80225E-03 -0.17993E-03 4869 0.105E-01 0.427E-01 RMM: 5 -0.331704112515E+03 0.11139E-02 -0.72850E-04 4591 0.729E-02 0.168E-01 RMM: 6 -0.331703967615E+03 0.14490E-03 -0.23076E-04 3904 0.393E-02 0.888E-02 RMM: 7 -0.331704015300E+03 -0.47685E-04 -0.90265E-05 3666 0.275E-02 0.122E-01 RMM: 8 -0.331703916282E+03 0.99018E-04 -0.43836E-05 3223 0.205E-02 0.253E-02 RMM: 9 -0.331703918169E+03 -0.18873E-05 -0.88196E-06 2477 0.835E-03 5504 T= 6080. E= 0.67812964E+03 F= 0.62783089E+03 E0= 0.65660717E+03 EK= 0.50299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331264760402E+03 0.43916E+00 -0.15971E-01 8292 0.229E+01 0.348E-01 RMM: 2 -0.331273626791E+03 -0.88664E-02 -0.81578E-02 5376 0.626E-01 0.742E-01 RMM: 3 -0.331269473400E+03 0.41534E-02 -0.67412E-03 5525 0.175E-01 0.265E-01 RMM: 4 -0.331270220770E+03 -0.74737E-03 -0.18504E-03 4857 0.110E-01 0.449E-01 RMM: 5 -0.331268904720E+03 0.13161E-02 -0.89228E-04 4601 0.797E-02 0.128E-01 RMM: 6 -0.331268907248E+03 -0.25289E-05 -0.20208E-04 3888 0.364E-02 0.134E-01 RMM: 7 -0.331268860064E+03 0.47185E-04 -0.95221E-05 3770 0.291E-02 0.108E-01 RMM: 8 -0.331268787044E+03 0.73019E-04 -0.39438E-05 3132 0.190E-02 0.327E-02 RMM: 9 -0.331268798744E+03 -0.11700E-04 -0.16559E-05 2524 0.116E-02 5505 T= 6060. E= 0.67876155E+03 F= 0.62863017E+03 E0= 0.65743574E+03 EK= 0.50131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330833119703E+03 0.43567E+00 -0.16403E-01 8328 0.229E+01 0.354E-01 RMM: 2 -0.330846981743E+03 -0.13862E-01 -0.95104E-02 5229 0.687E-01 0.106E+00 RMM: 3 -0.330838932526E+03 0.80492E-02 -0.91819E-03 5593 0.202E-01 0.227E-01 RMM: 4 -0.330839794076E+03 -0.86155E-03 -0.19276E-03 4936 0.109E-01 0.446E-01 RMM: 5 -0.330838601123E+03 0.11930E-02 -0.76692E-04 4592 0.743E-02 0.180E-01 RMM: 6 -0.330838432231E+03 0.16889E-03 -0.22361E-04 3892 0.383E-02 0.948E-02 RMM: 7 -0.330838478097E+03 -0.45866E-04 -0.10895E-04 3792 0.298E-02 0.125E-01 RMM: 8 -0.330838377953E+03 0.10014E-03 -0.50680E-05 3307 0.216E-02 0.306E-02 RMM: 9 -0.330838382865E+03 -0.49121E-05 -0.12246E-05 2500 0.985E-03 5506 T= 6163. E= 0.68041059E+03 F= 0.62942249E+03 E0= 0.65825718E+03 EK= 0.50988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330415322585E+03 0.42306E+00 -0.16929E-01 8328 0.231E+01 0.345E-01 RMM: 2 -0.330425444109E+03 -0.10122E-01 -0.91263E-02 5264 0.673E-01 0.778E-01 RMM: 3 -0.330420967508E+03 0.44766E-02 -0.83427E-03 5633 0.190E-01 0.249E-01 RMM: 4 -0.330421705119E+03 -0.73761E-03 -0.16975E-03 4799 0.102E-01 0.444E-01 RMM: 5 -0.330420420878E+03 0.12842E-02 -0.80673E-04 4600 0.756E-02 0.115E-01 RMM: 6 -0.330420414606E+03 0.62712E-05 -0.18562E-04 3882 0.344E-02 5507 T= 6364. E= 0.68284770E+03 F= 0.63019703E+03 E0= 0.65905883E+03 EK= 0.52651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330004483716E+03 0.41594E+00 -0.17723E-01 8292 0.235E+01 0.478E-01 RMM: 2 -0.330041144571E+03 -0.36661E-01 -0.10714E-01 5251 0.758E-01 0.212E+00 RMM: 3 -0.330010253914E+03 0.30891E-01 -0.16130E-02 5367 0.307E-01 0.328E-01 RMM: 4 -0.330010629432E+03 -0.37552E-03 -0.29769E-03 5283 0.123E-01 0.432E-01 RMM: 5 -0.330009848668E+03 0.78076E-03 -0.92817E-04 4603 0.795E-02 0.286E-01 RMM: 6 -0.330009340474E+03 0.50819E-03 -0.38736E-04 3998 0.518E-02 0.996E-02 RMM: 7 -0.330009446928E+03 -0.10645E-03 -0.18839E-04 3891 0.369E-02 0.161E-01 RMM: 8 -0.330009296329E+03 0.15060E-03 -0.86799E-05 3613 0.277E-02 0.574E-02 RMM: 9 -0.330009282479E+03 0.13850E-04 -0.18134E-05 2560 0.125E-02 5508 T= 6601. E= 0.68556315E+03 F= 0.63095782E+03 E0= 0.65984445E+03 EK= 0.54605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329592597633E+03 0.41670E+00 -0.17659E-01 8316 0.239E+01 0.392E-01 RMM: 2 -0.329615200605E+03 -0.22603E-01 -0.94579E-02 5311 0.691E-01 0.154E+00 RMM: 3 -0.329598198012E+03 0.17003E-01 -0.11982E-02 5372 0.258E-01 0.311E-01 RMM: 4 -0.329598580308E+03 -0.38230E-03 -0.25590E-03 5175 0.119E-01 0.402E-01 RMM: 5 -0.329597750620E+03 0.82969E-03 -0.69902E-04 4592 0.704E-02 0.222E-01 RMM: 6 -0.329597429212E+03 0.32141E-03 -0.19838E-04 3882 0.373E-02 0.604E-02 RMM: 7 -0.329597490507E+03 -0.61295E-04 -0.95975E-05 3679 0.256E-02 0.116E-01 RMM: 8 -0.329597405878E+03 0.84628E-04 -0.46994E-05 3225 0.215E-02 0.328E-02 RMM: 9 -0.329597402554E+03 0.33243E-05 -0.93783E-06 2485 0.864E-03 5509 T= 6788. E= 0.68786568E+03 F= 0.63171306E+03 E0= 0.66062062E+03 EK= 0.56153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329182988399E+03 0.41442E+00 -0.18734E-01 8352 0.241E+01 0.407E-01 RMM: 2 -0.329202132833E+03 -0.19144E-01 -0.96739E-02 5284 0.727E-01 0.142E+00 RMM: 3 -0.329188717646E+03 0.13415E-01 -0.11329E-02 5418 0.243E-01 0.308E-01 RMM: 4 -0.329189083430E+03 -0.36578E-03 -0.23001E-03 5011 0.112E-01 0.414E-01 RMM: 5 -0.329188149986E+03 0.93344E-03 -0.74732E-04 4600 0.732E-02 0.211E-01 RMM: 6 -0.329187892068E+03 0.25792E-03 -0.22186E-04 3892 0.389E-02 0.887E-02 RMM: 7 -0.329187953661E+03 -0.61593E-04 -0.12925E-04 3876 0.307E-02 0.132E-01 RMM: 8 -0.329187841098E+03 0.11256E-03 -0.62261E-05 3414 0.236E-02 0.378E-02 RMM: 9 -0.329187839145E+03 0.19530E-05 -0.13315E-05 2510 0.105E-02 5510 T= 6851. E= 0.68913649E+03 F= 0.63246216E+03 E0= 0.66138645E+03 EK= 0.56674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328801396272E+03 0.38644E+00 -0.18950E-01 8040 0.242E+01 0.362E-01 RMM: 2 -0.328815748651E+03 -0.14352E-01 -0.99988E-02 5115 0.726E-01 0.105E+00 RMM: 3 -0.328807970112E+03 0.77785E-02 -0.10652E-02 5528 0.222E-01 0.261E-01 RMM: 4 -0.328808617708E+03 -0.64760E-03 -0.19325E-03 4942 0.106E-01 0.434E-01 RMM: 5 -0.328807468462E+03 0.11492E-02 -0.80388E-04 4599 0.761E-02 0.165E-01 RMM: 6 -0.328807343485E+03 0.12498E-03 -0.24112E-04 3890 0.408E-02 0.987E-02 RMM: 7 -0.328807401878E+03 -0.58392E-04 -0.10059E-04 3770 0.279E-02 0.134E-01 RMM: 8 -0.328807283633E+03 0.11824E-03 -0.51202E-05 3328 0.215E-02 0.352E-02 RMM: 9 -0.328807285333E+03 -0.17004E-05 -0.14300E-05 2510 0.108E-02 5511 T= 6764. E= 0.68914021E+03 F= 0.63318196E+03 E0= 0.66211898E+03 EK= 0.55958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328496640425E+03 0.31064E+00 -0.18911E-01 7992 0.240E+01 0.351E-01 RMM: 2 -0.328511016039E+03 -0.14376E-01 -0.10506E-01 4994 0.753E-01 0.101E+00 RMM: 3 -0.328503871866E+03 0.71442E-02 -0.11283E-02 5532 0.225E-01 0.261E-01 RMM: 4 -0.328504405354E+03 -0.53349E-03 -0.18965E-03 5053 0.106E-01 0.415E-01 RMM: 5 -0.328503409318E+03 0.99604E-03 -0.77504E-04 4608 0.752E-02 0.186E-01 RMM: 6 -0.328503231464E+03 0.17785E-03 -0.24576E-04 3892 0.410E-02 0.102E-01 RMM: 7 -0.328503280894E+03 -0.49430E-04 -0.12902E-04 3876 0.322E-02 0.134E-01 RMM: 8 -0.328503166891E+03 0.11400E-03 -0.57108E-05 3380 0.225E-02 0.374E-02 RMM: 9 -0.328503166553E+03 0.33756E-06 -0.14075E-05 2515 0.108E-02 5512 T= 6567. E= 0.68815721E+03 F= 0.63382846E+03 E0= 0.66277436E+03 EK= 0.54329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328329009189E+03 0.17416E+00 -0.17894E-01 8052 0.237E+01 0.373E-01 RMM: 2 -0.328347536014E+03 -0.18527E-01 -0.99214E-02 4970 0.739E-01 0.131E+00 RMM: 3 -0.328335518018E+03 0.12018E-01 -0.11966E-02 5422 0.245E-01 0.282E-01 RMM: 4 -0.328335861673E+03 -0.34365E-03 -0.21328E-03 5116 0.110E-01 0.386E-01 RMM: 5 -0.328335146397E+03 0.71528E-03 -0.84568E-04 4603 0.789E-02 0.236E-01 RMM: 6 -0.328334818428E+03 0.32797E-03 -0.28203E-04 3889 0.441E-02 0.897E-02 RMM: 7 -0.328334895011E+03 -0.76583E-04 -0.14445E-04 3881 0.337E-02 0.138E-01 RMM: 8 -0.328334771290E+03 0.12372E-03 -0.61247E-05 3424 0.238E-02 0.421E-02 RMM: 9 -0.328334767918E+03 0.33719E-05 -0.14347E-05 2519 0.109E-02 5513 T= 6342. E= 0.68680963E+03 F= 0.63434456E+03 E0= 0.66329642E+03 EK= 0.52465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328356827420E+03 -0.22056E-01 -0.17755E-01 7956 0.234E+01 0.348E-01 RMM: 2 -0.328369617567E+03 -0.12790E-01 -0.95281E-02 4955 0.715E-01 0.954E-01 RMM: 3 -0.328363214444E+03 0.64031E-02 -0.10381E-02 5439 0.221E-01 0.265E-01 RMM: 4 -0.328363761877E+03 -0.54743E-03 -0.18627E-03 5031 0.105E-01 0.410E-01 RMM: 5 -0.328362807421E+03 0.95446E-03 -0.80579E-04 4612 0.767E-02 0.197E-01 RMM: 6 -0.328362601676E+03 0.20574E-03 -0.26597E-04 3893 0.428E-02 0.103E-01 RMM: 7 -0.328362649932E+03 -0.48255E-04 -0.13686E-04 3871 0.338E-02 0.134E-01 RMM: 8 -0.328362534495E+03 0.11544E-03 -0.59348E-05 3396 0.231E-02 0.373E-02 RMM: 9 -0.328362536468E+03 -0.19732E-05 -0.15620E-05 2531 0.115E-02 5514 T= 6173. E= 0.68574072E+03 F= 0.63467009E+03 E0= 0.66362533E+03 EK= 0.51071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328627837451E+03 -0.26530E+00 -0.17272E-01 7932 0.233E+01 0.370E-01 RMM: 2 -0.328644231058E+03 -0.16394E-01 -0.88449E-02 5070 0.699E-01 0.125E+00 RMM: 3 -0.328633293721E+03 0.10937E-01 -0.10389E-02 5411 0.227E-01 0.278E-01 RMM: 4 -0.328633718382E+03 -0.42466E-03 -0.20927E-03 5007 0.109E-01 0.398E-01 RMM: 5 -0.328632905276E+03 0.81311E-03 -0.84405E-04 4607 0.796E-02 0.220E-01 RMM: 6 -0.328632613589E+03 0.29169E-03 -0.23674E-04 3888 0.401E-02 0.810E-02 RMM: 7 -0.328632669409E+03 -0.55820E-04 -0.11783E-04 3862 0.311E-02 0.122E-01 RMM: 8 -0.328632574013E+03 0.95396E-04 -0.46066E-05 3262 0.209E-02 0.368E-02 RMM: 9 -0.328632574342E+03 -0.32938E-06 -0.12765E-05 2508 0.101E-02 5515 T= 6120. E= 0.68538230E+03 F= 0.63475735E+03 E0= 0.66371421E+03 EK= 0.50625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329162818073E+03 -0.53024E+00 -0.17506E-01 7980 0.234E+01 0.358E-01 RMM: 2 -0.329174691924E+03 -0.11874E-01 -0.93688E-02 5009 0.712E-01 0.905E-01 RMM: 3 -0.329168916360E+03 0.57756E-02 -0.10584E-02 5430 0.221E-01 0.269E-01 RMM: 4 -0.329169684329E+03 -0.76797E-03 -0.18728E-03 4990 0.104E-01 0.446E-01 RMM: 5 -0.329168479080E+03 0.12052E-02 -0.74031E-04 4606 0.723E-02 0.184E-01 RMM: 6 -0.329168289353E+03 0.18973E-03 -0.23537E-04 3900 0.400E-02 0.883E-02 RMM: 7 -0.329168348409E+03 -0.59056E-04 -0.10279E-04 3781 0.288E-02 0.131E-01 RMM: 8 -0.329168238174E+03 0.11023E-03 -0.50577E-05 3306 0.215E-02 0.314E-02 RMM: 9 -0.329168243596E+03 -0.54217E-05 -0.15313E-05 2522 0.112E-02 5516 T= 6199. E= 0.68586249E+03 F= 0.63458027E+03 E0= 0.66353694E+03 EK= 0.51282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329959414860E+03 -0.79118E+00 -0.17061E-01 8160 0.237E+01 0.372E-01 RMM: 2 -0.329972888267E+03 -0.13473E-01 -0.73930E-02 5152 0.642E-01 0.118E+00 RMM: 3 -0.329963450231E+03 0.94380E-02 -0.84707E-03 5394 0.206E-01 0.262E-01 RMM: 4 -0.329964305859E+03 -0.85563E-03 -0.22076E-03 5019 0.114E-01 0.456E-01 RMM: 5 -0.329963045359E+03 0.12605E-02 -0.83717E-04 4608 0.787E-02 0.179E-01 RMM: 6 -0.329962855755E+03 0.18960E-03 -0.18520E-04 3883 0.349E-02 0.758E-02 RMM: 7 -0.329962893068E+03 -0.37314E-04 -0.87801E-05 3657 0.264E-02 0.108E-01 RMM: 8 -0.329962820696E+03 0.72372E-04 -0.39153E-05 3133 0.196E-02 0.346E-02 RMM: 9 -0.329962821980E+03 -0.12842E-05 -0.12109E-05 2493 0.973E-03 5517 T= 6388. E= 0.68698810E+03 F= 0.63414293E+03 E0= 0.66309845E+03 EK= 0.52845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330966212145E+03 -0.10034E+01 -0.18245E-01 7764 0.241E+01 0.369E-01 RMM: 2 -0.330977830013E+03 -0.11618E-01 -0.10013E-01 4999 0.729E-01 0.854E-01 RMM: 3 -0.330972737787E+03 0.50922E-02 -0.11176E-02 5458 0.224E-01 0.283E-01 RMM: 4 -0.330973708952E+03 -0.97117E-03 -0.19110E-03 5007 0.106E-01 0.483E-01 RMM: 5 -0.330972188759E+03 0.15202E-02 -0.72333E-04 4603 0.704E-02 0.155E-01 RMM: 6 -0.330972063125E+03 0.12563E-03 -0.20341E-04 3892 0.366E-02 0.852E-02 RMM: 7 -0.330972108729E+03 -0.45604E-04 -0.81201E-05 3588 0.251E-02 0.121E-01 RMM: 8 -0.330972014705E+03 0.94024E-04 -0.44240E-05 3201 0.203E-02 0.312E-02 RMM: 9 -0.330972019501E+03 -0.47959E-05 -0.14971E-05 2511 0.110E-02 5518 T= 6621. E= 0.68826367E+03 F= 0.63348830E+03 E0= 0.66244176E+03 EK= 0.54775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332111110513E+03 -0.11391E+01 -0.17422E-01 8004 0.245E+01 0.374E-01 RMM: 2 -0.332122221722E+03 -0.11111E-01 -0.75102E-02 5178 0.645E-01 0.103E+00 RMM: 3 -0.332115178822E+03 0.70429E-02 -0.79269E-03 5401 0.195E-01 0.266E-01 RMM: 4 -0.332116183561E+03 -0.10047E-02 -0.21999E-03 5014 0.115E-01 0.484E-01 RMM: 5 -0.332114692129E+03 0.14914E-02 -0.91273E-04 4605 0.816E-02 0.148E-01 RMM: 6 -0.332114570812E+03 0.12132E-03 -0.15384E-04 3883 0.313E-02 0.764E-02 RMM: 7 -0.332114585898E+03 -0.15086E-04 -0.66295E-05 3468 0.230E-02 5519 T= 6806. E= 0.68900445E+03 F= 0.63269829E+03 E0= 0.66164921E+03 EK= 0.56306E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333279077502E+03 -0.11645E+01 -0.17513E-01 8076 0.247E+01 0.389E-01 RMM: 2 -0.333288609693E+03 -0.95322E-02 -0.75276E-02 5142 0.648E-01 0.909E-01 RMM: 3 -0.333283205077E+03 0.54046E-02 -0.80241E-03 5423 0.193E-01 0.287E-01 RMM: 4 -0.333284334437E+03 -0.11294E-02 -0.22028E-03 5035 0.117E-01 0.514E-01 RMM: 5 -0.333282614189E+03 0.17202E-02 -0.91051E-04 4603 0.802E-02 0.139E-01 RMM: 6 -0.333282550044E+03 0.64144E-04 -0.19261E-04 3888 0.350E-02 0.109E-01 RMM: 7 -0.333282539946E+03 0.10098E-04 -0.85867E-05 3674 0.262E-02 5520 T= 6858. E= 0.68861683E+03 F= 0.63188350E+03 E0= 0.66083193E+03 EK= 0.56733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334364134546E+03 -0.10816E+01 -0.17156E-01 7992 0.246E+01 0.388E-01 RMM: 2 -0.334376638810E+03 -0.12504E-01 -0.76846E-02 5150 0.661E-01 0.113E+00 RMM: 3 -0.334368213664E+03 0.84251E-02 -0.84959E-03 5400 0.204E-01 0.282E-01 RMM: 4 -0.334369120429E+03 -0.90677E-03 -0.23562E-03 5082 0.118E-01 0.474E-01 RMM: 5 -0.334367735740E+03 0.13847E-02 -0.95438E-04 4608 0.844E-02 0.181E-01 RMM: 6 -0.334367544417E+03 0.19132E-03 -0.20417E-04 3891 0.366E-02 0.793E-02 RMM: 7 -0.334367608260E+03 -0.63843E-04 -0.92605E-05 3691 0.264E-02 0.126E-01 RMM: 8 -0.334367507831E+03 0.10043E-03 -0.47247E-05 3266 0.212E-02 0.335E-02 RMM: 9 -0.334367512555E+03 -0.47245E-05 -0.14996E-05 2516 0.110E-02 5521 T= 6743. E= 0.68694096E+03 F= 0.63115607E+03 E0= 0.66010314E+03 EK= 0.55785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335283452106E+03 -0.91594E+00 -0.16345E-01 7992 0.242E+01 0.361E-01 RMM: 2 -0.335292660578E+03 -0.92085E-02 -0.66015E-02 5222 0.615E-01 0.942E-01 RMM: 3 -0.335286766628E+03 0.58939E-02 -0.71525E-03 5412 0.187E-01 0.273E-01 RMM: 4 -0.335287549522E+03 -0.78289E-03 -0.20785E-03 4933 0.113E-01 0.447E-01 RMM: 5 -0.335286330133E+03 0.12194E-02 -0.82825E-04 4602 0.777E-02 0.184E-01 RMM: 6 -0.335286126830E+03 0.20330E-03 -0.20499E-04 3892 0.372E-02 0.754E-02 RMM: 7 -0.335286163422E+03 -0.36592E-04 -0.76809E-05 3586 0.252E-02 0.109E-01 RMM: 8 -0.335286085058E+03 0.78364E-04 -0.37067E-05 3098 0.191E-02 0.226E-02 RMM: 9 -0.335286092622E+03 -0.75639E-05 -0.10437E-05 2484 0.898E-03 5522 T= 6502. E= 0.68438891E+03 F= 0.63060296E+03 E0= 0.65954931E+03 EK= 0.53786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335993884618E+03 -0.70780E+00 -0.15567E-01 7884 0.236E+01 0.381E-01 RMM: 2 -0.336003896701E+03 -0.10012E-01 -0.62069E-02 5241 0.596E-01 0.105E+00 RMM: 3 -0.335996687319E+03 0.72094E-02 -0.69085E-03 5384 0.188E-01 0.282E-01 RMM: 4 -0.335997627881E+03 -0.94056E-03 -0.21167E-03 4946 0.113E-01 0.480E-01 RMM: 5 -0.335996219787E+03 0.14081E-02 -0.98236E-04 4606 0.866E-02 0.192E-01 RMM: 6 -0.335996018651E+03 0.20114E-03 -0.23730E-04 3892 0.396E-02 0.927E-02 RMM: 7 -0.335996055684E+03 -0.37033E-04 -0.10452E-04 3796 0.295E-02 0.120E-01 RMM: 8 -0.335995962153E+03 0.93531E-04 -0.48477E-05 3284 0.214E-02 0.320E-02 RMM: 9 -0.335995973417E+03 -0.11264E-04 -0.16202E-05 2532 0.115E-02 5523 T= 6221. E= 0.68173361E+03 F= 0.63026847E+03 E0= 0.65921544E+03 EK= 0.51465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336490251125E+03 -0.49429E+00 -0.15014E-01 7932 0.231E+01 0.374E-01 RMM: 2 -0.336499970705E+03 -0.97196E-02 -0.61602E-02 5191 0.600E-01 0.102E+00 RMM: 3 -0.336493136812E+03 0.68339E-02 -0.72249E-03 5383 0.191E-01 0.278E-01 RMM: 4 -0.336493887200E+03 -0.75039E-03 -0.20988E-03 4953 0.114E-01 0.449E-01 RMM: 5 -0.336492669423E+03 0.12178E-02 -0.94433E-04 4604 0.839E-02 0.185E-01 RMM: 6 -0.336492496308E+03 0.17311E-03 -0.23922E-04 3898 0.402E-02 0.996E-02 RMM: 7 -0.336492527246E+03 -0.30938E-04 -0.10512E-04 3825 0.304E-02 0.122E-01 RMM: 8 -0.336492431458E+03 0.95788E-04 -0.45406E-05 3241 0.206E-02 0.307E-02 RMM: 9 -0.336492441976E+03 -0.10518E-04 -0.13759E-05 2516 0.104E-02 5524 T= 5995. E= 0.67974841E+03 F= 0.63015674E+03 E0= 0.65910511E+03 EK= 0.49592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336789244078E+03 -0.29681E+00 -0.14605E-01 7908 0.227E+01 0.360E-01 RMM: 2 -0.336797383030E+03 -0.81390E-02 -0.56351E-02 5202 0.562E-01 0.934E-01 RMM: 3 -0.336791741857E+03 0.56412E-02 -0.60979E-03 5407 0.172E-01 0.259E-01 RMM: 4 -0.336792749824E+03 -0.10080E-02 -0.20174E-03 4917 0.113E-01 0.484E-01 RMM: 5 -0.336791338892E+03 0.14109E-02 -0.96002E-04 4604 0.854E-02 0.179E-01 RMM: 6 -0.336791168262E+03 0.17063E-03 -0.23052E-04 3888 0.390E-02 0.934E-02 RMM: 7 -0.336791177100E+03 -0.88371E-05 -0.10075E-04 3799 0.302E-02 5525 T= 5889. E= 0.67896454E+03 F= 0.63024885E+03 E0= 0.65919917E+03 EK= 0.48716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336914268459E+03 -0.12310E+00 -0.14427E-01 7836 0.226E+01 0.396E-01 RMM: 2 -0.336921619519E+03 -0.73511E-02 -0.61568E-02 5141 0.588E-01 0.848E-01 RMM: 3 -0.336917153888E+03 0.44656E-02 -0.71991E-03 5406 0.184E-01 0.307E-01 RMM: 4 -0.336918277147E+03 -0.11233E-02 -0.22206E-03 4992 0.118E-01 0.530E-01 RMM: 5 -0.336916449122E+03 0.18280E-02 -0.11399E-03 4606 0.916E-02 0.146E-01 RMM: 6 -0.336916428638E+03 0.20484E-04 -0.24414E-04 3887 0.398E-02 0.141E-01 RMM: 7 -0.336916371458E+03 0.57180E-04 -0.11112E-04 3852 0.324E-02 0.110E-01 RMM: 8 -0.336916298725E+03 0.72733E-04 -0.41644E-05 3173 0.193E-02 0.362E-02 RMM: 9 -0.336916324725E+03 -0.26001E-04 -0.21912E-05 2591 0.132E-02 0.663E-02 RMM: 10 -0.336916307738E+03 0.16988E-04 -0.17879E-05 2528 0.138E-02 5526 T= 5934. E= 0.67960346E+03 F= 0.63051552E+03 E0= 0.65946917E+03 EK= 0.49088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336891525901E+03 0.24799E-01 -0.14487E-01 7752 0.227E+01 0.311E-01 RMM: 2 -0.336897609698E+03 -0.60838E-02 -0.58107E-02 5111 0.569E-01 0.680E-01 RMM: 3 -0.336894740097E+03 0.28696E-02 -0.63031E-03 5434 0.169E-01 0.254E-01 RMM: 4 -0.336895513789E+03 -0.77369E-03 -0.14177E-03 4728 0.934E-02 0.439E-01 RMM: 5 -0.336894314886E+03 0.11989E-02 -0.67166E-04 4602 0.703E-02 0.144E-01 RMM: 6 -0.336894198400E+03 0.11649E-03 -0.18269E-04 3886 0.346E-02 0.704E-02 RMM: 7 -0.336894211799E+03 -0.13399E-04 -0.52726E-05 3318 0.223E-02 5527 T= 6123. E= 0.68157923E+03 F= 0.63092496E+03 E0= 0.65988120E+03 EK= 0.50654E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336750703654E+03 0.14349E+00 -0.15217E-01 8160 0.231E+01 0.389E-01 RMM: 2 -0.336755899314E+03 -0.51957E-02 -0.57828E-02 5187 0.578E-01 0.681E-01 RMM: 3 -0.336753450586E+03 0.24487E-02 -0.64374E-03 5408 0.176E-01 0.337E-01 RMM: 4 -0.336754419854E+03 -0.96927E-03 -0.18555E-03 4832 0.106E-01 0.528E-01 RMM: 5 -0.336752572472E+03 0.18474E-02 -0.10419E-03 4608 0.861E-02 0.120E-01 RMM: 6 -0.336752587335E+03 -0.14863E-04 -0.22190E-04 3881 0.376E-02 0.134E-01 RMM: 7 -0.336752517593E+03 0.69742E-04 -0.85208E-05 3668 0.276E-02 0.945E-02 RMM: 8 -0.336752465301E+03 0.52292E-04 -0.34655E-05 3058 0.175E-02 0.343E-02 RMM: 9 -0.336752487590E+03 -0.22290E-04 -0.20770E-05 2558 0.129E-02 0.622E-02 RMM: 10 -0.336752470183E+03 0.17408E-04 -0.13560E-05 2501 0.121E-02 5528 T= 6411. E= 0.68447963E+03 F= 0.63144556E+03 E0= 0.66040525E+03 EK= 0.53034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336525617253E+03 0.22687E+00 -0.17050E-01 7512 0.236E+01 0.318E-01 RMM: 2 -0.336534594953E+03 -0.89777E-02 -0.90611E-02 4917 0.704E-01 0.656E-01 RMM: 3 -0.336531925849E+03 0.26691E-02 -0.10228E-02 5739 0.190E-01 0.249E-01 RMM: 4 -0.336532517788E+03 -0.59194E-03 -0.15489E-03 4933 0.977E-02 0.424E-01 RMM: 5 -0.336531381636E+03 0.11362E-02 -0.69953E-04 4595 0.708E-02 0.135E-01 RMM: 6 -0.336531290277E+03 0.91359E-04 -0.16357E-04 3891 0.331E-02 0.762E-02 RMM: 7 -0.336531322365E+03 -0.32088E-04 -0.54898E-05 3342 0.216E-02 0.105E-01 RMM: 8 -0.336531251859E+03 0.70506E-04 -0.27908E-05 2885 0.170E-02 0.239E-02 RMM: 9 -0.336531255941E+03 -0.40819E-05 -0.10087E-05 2470 0.882E-03 5529 T= 6712. E= 0.68756228E+03 F= 0.63203575E+03 E0= 0.66099802E+03 EK= 0.55527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336289425784E+03 0.24183E+00 -0.17292E-01 7980 0.240E+01 0.354E-01 RMM: 2 -0.336296177438E+03 -0.67517E-02 -0.65619E-02 5181 0.614E-01 0.714E-01 RMM: 3 -0.336293071080E+03 0.31064E-02 -0.68638E-03 5475 0.178E-01 0.280E-01 RMM: 4 -0.336293931639E+03 -0.86056E-03 -0.16674E-03 4822 0.100E-01 0.471E-01 RMM: 5 -0.336292499986E+03 0.14317E-02 -0.80980E-04 4600 0.760E-02 0.145E-01 RMM: 6 -0.336292400326E+03 0.99660E-04 -0.22034E-04 3908 0.383E-02 0.887E-02 RMM: 7 -0.336292389901E+03 0.10425E-04 -0.65797E-05 3465 0.248E-02 5530 T= 6923. E= 0.68990321E+03 F= 0.63263530E+03 E0= 0.66159839E+03 EK= 0.57268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336117442772E+03 0.17496E+00 -0.18707E-01 7692 0.242E+01 0.381E-01 RMM: 2 -0.336132112002E+03 -0.14669E-01 -0.10956E-01 4936 0.783E-01 0.104E+00 RMM: 3 -0.336124927806E+03 0.71842E-02 -0.12605E-02 5546 0.231E-01 0.298E-01 RMM: 4 -0.336125505105E+03 -0.57730E-03 -0.23087E-03 5137 0.117E-01 0.444E-01 RMM: 5 -0.336124346111E+03 0.11590E-02 -0.88261E-04 4608 0.791E-02 0.188E-01 RMM: 6 -0.336124157310E+03 0.18880E-03 -0.22260E-04 3891 0.387E-02 0.979E-02 RMM: 7 -0.336124200426E+03 -0.43116E-04 -0.12067E-04 3877 0.307E-02 0.128E-01 RMM: 8 -0.336124100430E+03 0.99997E-04 -0.56935E-05 3376 0.226E-02 0.388E-02 RMM: 9 -0.336124108570E+03 -0.81399E-05 -0.17417E-05 2534 0.119E-02 5531 T= 6963. E= 0.69076428E+03 F= 0.63315987E+03 E0= 0.66212209E+03 EK= 0.57604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336125377006E+03 -0.12766E-02 -0.17995E-01 7920 0.241E+01 0.334E-01 RMM: 2 -0.336136567077E+03 -0.11190E-01 -0.76020E-02 5152 0.664E-01 0.982E-01 RMM: 3 -0.336129945282E+03 0.66218E-02 -0.86036E-03 5461 0.205E-01 0.245E-01 RMM: 4 -0.336130457061E+03 -0.51178E-03 -0.16195E-03 4849 0.977E-02 0.388E-01 RMM: 5 -0.336129692523E+03 0.76454E-03 -0.68154E-04 4599 0.703E-02 0.213E-01 RMM: 6 -0.336129405738E+03 0.28678E-03 -0.28073E-04 3939 0.447E-02 0.700E-02 RMM: 7 -0.336129478464E+03 -0.72726E-04 -0.92407E-05 3698 0.273E-02 0.126E-01 RMM: 8 -0.336129374868E+03 0.10360E-03 -0.38760E-05 3130 0.197E-02 0.306E-02 RMM: 9 -0.336129372859E+03 0.20091E-05 -0.89639E-06 2480 0.854E-03 5532 T= 6826. E= 0.68998107E+03 F= 0.63351146E+03 E0= 0.66247002E+03 EK= 0.56470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336393525811E+03 -0.26415E+00 -0.18553E-01 8028 0.238E+01 0.348E-01 RMM: 2 -0.336403492239E+03 -0.99664E-02 -0.83661E-02 5126 0.676E-01 0.824E-01 RMM: 3 -0.336398877116E+03 0.46151E-02 -0.83411E-03 5569 0.188E-01 0.262E-01 RMM: 4 -0.336399633453E+03 -0.75634E-03 -0.19910E-03 4944 0.113E-01 0.454E-01 RMM: 5 -0.336398291758E+03 0.13417E-02 -0.98929E-04 4608 0.860E-02 0.125E-01 RMM: 6 -0.336398314742E+03 -0.22984E-04 -0.21427E-04 3889 0.381E-02 0.143E-01 RMM: 7 -0.336398241531E+03 0.73211E-04 -0.10799E-04 3856 0.320E-02 0.105E-01 RMM: 8 -0.336398174344E+03 0.67186E-04 -0.39077E-05 3135 0.187E-02 0.324E-02 RMM: 9 -0.336398190108E+03 -0.15764E-04 -0.18640E-05 2534 0.124E-02 5533 T= 6579. E= 0.68803148E+03 F= 0.63360457E+03 E0= 0.66255647E+03 EK= 0.54427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336988229283E+03 -0.59005E+00 -0.17474E-01 7908 0.234E+01 0.340E-01 RMM: 2 -0.336998993346E+03 -0.10764E-01 -0.78289E-02 5182 0.665E-01 0.937E-01 RMM: 3 -0.336993019170E+03 0.59742E-02 -0.82444E-03 5487 0.197E-01 0.262E-01 RMM: 4 -0.336993482077E+03 -0.46291E-03 -0.17220E-03 4887 0.103E-01 0.394E-01 RMM: 5 -0.336992674666E+03 0.80741E-03 -0.83112E-04 4600 0.793E-02 0.209E-01 RMM: 6 -0.336992431301E+03 0.24337E-03 -0.26378E-04 3897 0.429E-02 0.950E-02 RMM: 7 -0.336992488174E+03 -0.56873E-04 -0.13238E-04 3873 0.340E-02 0.133E-01 RMM: 8 -0.336992373331E+03 0.11484E-03 -0.54185E-05 3362 0.225E-02 0.324E-02 RMM: 9 -0.336992379161E+03 -0.58301E-05 -0.13281E-05 2512 0.107E-02 5534 T= 6326. E= 0.68571178E+03 F= 0.63338008E+03 E0= 0.66232278E+03 EK= 0.52332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337924823660E+03 -0.93245E+00 -0.16400E-01 7908 0.231E+01 0.352E-01 RMM: 2 -0.337933200952E+03 -0.83773E-02 -0.69750E-02 5228 0.612E-01 0.823E-01 RMM: 3 -0.337928732041E+03 0.44689E-02 -0.66585E-03 5461 0.177E-01 0.279E-01 RMM: 4 -0.337929631852E+03 -0.89981E-03 -0.19820E-03 4965 0.114E-01 0.473E-01 RMM: 5 -0.337928183022E+03 0.14488E-02 -0.93736E-04 4608 0.832E-02 0.146E-01 RMM: 6 -0.337928126617E+03 0.56404E-04 -0.24512E-04 3899 0.408E-02 0.121E-01 RMM: 7 -0.337928130791E+03 -0.41735E-05 -0.10988E-04 3837 0.314E-02 5535 T= 6155. E= 0.68373942E+03 F= 0.63282217E+03 E0= 0.66175330E+03 EK= 0.50917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339174103337E+03 -0.12460E+01 -0.16071E-01 7932 0.230E+01 0.407E-01 RMM: 2 -0.339183250527E+03 -0.91472E-02 -0.70567E-02 5198 0.630E-01 0.940E-01 RMM: 3 -0.339177662926E+03 0.55876E-02 -0.79829E-03 5441 0.198E-01 0.328E-01 RMM: 4 -0.339178565802E+03 -0.90288E-03 -0.22971E-03 5155 0.119E-01 0.510E-01 RMM: 5 -0.339177004723E+03 0.15611E-02 -0.11708E-03 4608 0.934E-02 0.204E-01 RMM: 6 -0.339176793360E+03 0.21136E-03 -0.31833E-04 3932 0.470E-02 0.115E-01 RMM: 7 -0.339176859204E+03 -0.65844E-04 -0.16476E-04 3890 0.366E-02 0.153E-01 RMM: 8 -0.339176712293E+03 0.14691E-03 -0.83082E-05 3618 0.271E-02 0.453E-02 RMM: 9 -0.339176717639E+03 -0.53464E-05 -0.20143E-05 2575 0.130E-02 5536 T= 6114. E= 0.68253433E+03 F= 0.63195770E+03 E0= 0.66087527E+03 EK= 0.50577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340673532432E+03 -0.14968E+01 -0.16166E-01 7848 0.231E+01 0.364E-01 RMM: 2 -0.340687542690E+03 -0.14010E-01 -0.80851E-02 5041 0.668E-01 0.116E+00 RMM: 3 -0.340678258153E+03 0.92845E-02 -0.96487E-03 5409 0.217E-01 0.238E-01 RMM: 4 -0.340679371185E+03 -0.11130E-02 -0.20507E-03 4995 0.108E-01 0.487E-01 RMM: 5 -0.340677891911E+03 0.14793E-02 -0.77776E-04 4590 0.746E-02 0.151E-01 RMM: 6 -0.340677764705E+03 0.12721E-03 -0.17936E-04 3884 0.345E-02 0.755E-02 RMM: 7 -0.340677805252E+03 -0.40547E-04 -0.77547E-05 3575 0.244E-02 0.109E-01 RMM: 8 -0.340677728053E+03 0.77199E-04 -0.39426E-05 3143 0.197E-02 0.308E-02 RMM: 9 -0.340677725697E+03 0.23568E-05 -0.85926E-06 2470 0.816E-03 5537 T= 6205. E= 0.68217590E+03 F= 0.63084406E+03 E0= 0.65974766E+03 EK= 0.51332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342347488798E+03 -0.16698E+01 -0.15938E-01 8004 0.233E+01 0.429E-01 RMM: 2 -0.342359717079E+03 -0.12228E-01 -0.74616E-02 5231 0.658E-01 0.118E+00 RMM: 3 -0.342350754482E+03 0.89626E-02 -0.93477E-03 5372 0.224E-01 0.318E-01 RMM: 4 -0.342351826352E+03 -0.10719E-02 -0.25035E-03 5234 0.121E-01 0.525E-01 RMM: 5 -0.342350196187E+03 0.16302E-02 -0.99614E-04 4608 0.852E-02 0.218E-01 RMM: 6 -0.342349899683E+03 0.29650E-03 -0.25975E-04 3889 0.423E-02 0.798E-02 RMM: 7 -0.342349988082E+03 -0.88399E-04 -0.12574E-04 3881 0.303E-02 0.143E-01 RMM: 8 -0.342349857503E+03 0.13058E-03 -0.57832E-05 3402 0.228E-02 0.399E-02 RMM: 9 -0.342349856513E+03 0.99013E-06 -0.16095E-05 2523 0.114E-02 5538 T= 6391. E= 0.68242779E+03 F= 0.62955968E+03 E0= 0.65845046E+03 EK= 0.52868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344097935050E+03 -0.17481E+01 -0.16209E-01 8100 0.236E+01 0.435E-01 RMM: 2 -0.344115492721E+03 -0.17558E-01 -0.76887E-02 5184 0.666E-01 0.145E+00 RMM: 3 -0.344101332248E+03 0.14160E-01 -0.10270E-02 5372 0.237E-01 0.276E-01 RMM: 4 -0.344102733529E+03 -0.14013E-02 -0.27345E-03 5226 0.125E-01 0.547E-01 RMM: 5 -0.344100933648E+03 0.17999E-02 -0.98204E-04 4604 0.838E-02 0.199E-01 RMM: 6 -0.344100692753E+03 0.24089E-03 -0.23417E-04 3890 0.397E-02 0.784E-02 RMM: 7 -0.344100764567E+03 -0.71814E-04 -0.11393E-04 3842 0.287E-02 0.130E-01 RMM: 8 -0.344100658862E+03 0.10571E-03 -0.55360E-05 3370 0.223E-02 0.398E-02 RMM: 9 -0.344100656448E+03 0.24134E-05 -0.13280E-05 2514 0.103E-02 5539 T= 6600. E= 0.68279410E+03 F= 0.62819556E+03 E0= 0.65707619E+03 EK= 0.54599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345837510497E+03 -0.17369E+01 -0.16198E-01 8052 0.239E+01 0.415E-01 RMM: 2 -0.345848698992E+03 -0.11188E-01 -0.74123E-02 5220 0.649E-01 0.109E+00 RMM: 3 -0.345840915402E+03 0.77836E-02 -0.87895E-03 5371 0.214E-01 0.303E-01 RMM: 4 -0.345842216171E+03 -0.13008E-02 -0.23618E-03 5153 0.118E-01 0.544E-01 RMM: 5 -0.345840364126E+03 0.18520E-02 -0.95270E-04 4607 0.831E-02 0.183E-01 RMM: 6 -0.345840162106E+03 0.20202E-03 -0.21555E-04 3883 0.379E-02 0.767E-02 RMM: 7 -0.345840226431E+03 -0.64325E-04 -0.10371E-04 3821 0.275E-02 0.127E-01 RMM: 8 -0.345840124308E+03 0.10212E-03 -0.49556E-05 3267 0.212E-02 0.359E-02 RMM: 9 -0.345840124690E+03 -0.38250E-06 -0.14478E-05 2512 0.108E-02 5540 T= 6748. E= 0.68266478E+03 F= 0.62684231E+03 E0= 0.65571824E+03 EK= 0.55822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347491246419E+03 -0.16511E+01 -0.16341E-01 7956 0.240E+01 0.426E-01 RMM: 2 -0.347507348268E+03 -0.16102E-01 -0.78125E-02 5159 0.668E-01 0.137E+00 RMM: 3 -0.347494815777E+03 0.12532E-01 -0.97390E-03 5367 0.227E-01 0.266E-01 RMM: 4 -0.347496246432E+03 -0.14307E-02 -0.26981E-03 5201 0.125E-01 0.550E-01 RMM: 5 -0.347494442013E+03 0.18044E-02 -0.10220E-03 4606 0.858E-02 0.199E-01 RMM: 6 -0.347494204276E+03 0.23774E-03 -0.23461E-04 3910 0.396E-02 0.808E-02 RMM: 7 -0.347494261784E+03 -0.57508E-04 -0.10975E-04 3851 0.288E-02 0.124E-01 RMM: 8 -0.347494166803E+03 0.94981E-04 -0.48199E-05 3264 0.212E-02 0.407E-02 RMM: 9 -0.347494163326E+03 0.34767E-05 -0.13808E-05 2510 0.105E-02 5541 T= 6770. E= 0.68158368E+03 F= 0.62557641E+03 E0= 0.65445515E+03 EK= 0.56007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349017403575E+03 -0.15232E+01 -0.16307E-01 8088 0.238E+01 0.385E-01 RMM: 2 -0.349025308396E+03 -0.79048E-02 -0.64972E-02 5224 0.591E-01 0.868E-01 RMM: 3 -0.349020393264E+03 0.49151E-02 -0.69721E-03 5363 0.189E-01 0.302E-01 RMM: 4 -0.349021739373E+03 -0.13461E-02 -0.20949E-03 4996 0.114E-01 0.548E-01 RMM: 5 -0.349019823022E+03 0.19164E-02 -0.92911E-04 4608 0.821E-02 0.157E-01 RMM: 6 -0.349019699664E+03 0.12336E-03 -0.21022E-04 3877 0.370E-02 0.914E-02 RMM: 7 -0.349019720678E+03 -0.21014E-04 -0.88599E-05 3712 0.275E-02 0.110E-01 RMM: 8 -0.349019645109E+03 0.75569E-04 -0.37881E-05 3115 0.189E-02 0.292E-02 RMM: 9 -0.349019655481E+03 -0.10372E-04 -0.16249E-05 2519 0.115E-02 5542 T= 6655. E= 0.67950171E+03 F= 0.62444431E+03 E0= 0.65333536E+03 EK= 0.55057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350401237643E+03 -0.13816E+01 -0.16279E-01 8340 0.234E+01 0.387E-01 RMM: 2 -0.350411592201E+03 -0.10355E-01 -0.62462E-02 5229 0.586E-01 0.108E+00 RMM: 3 -0.350403840148E+03 0.77521E-02 -0.68652E-03 5396 0.188E-01 0.251E-01 RMM: 4 -0.350405044903E+03 -0.12048E-02 -0.23924E-03 5053 0.122E-01 0.513E-01 RMM: 5 -0.350403457985E+03 0.15869E-02 -0.10629E-03 4608 0.888E-02 0.177E-01 RMM: 6 -0.350403288901E+03 0.16908E-03 -0.21170E-04 3899 0.375E-02 0.905E-02 RMM: 7 -0.350403297943E+03 -0.90422E-05 -0.97619E-05 3803 0.301E-02 5543 T= 6450. E= 0.67682010E+03 F= 0.62346221E+03 E0= 0.65237507E+03 EK= 0.53358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351650783717E+03 -0.12475E+01 -0.15711E-01 8496 0.230E+01 0.406E-01 RMM: 2 -0.351656794472E+03 -0.60108E-02 -0.59902E-02 5255 0.554E-01 0.741E-01 RMM: 3 -0.351653401624E+03 0.33928E-02 -0.58420E-03 5390 0.171E-01 0.357E-01 RMM: 4 -0.351654611424E+03 -0.12098E-02 -0.25671E-03 5047 0.132E-01 0.567E-01 RMM: 5 -0.351652532549E+03 0.20789E-02 -0.12903E-03 4608 0.972E-02 0.145E-01 RMM: 6 -0.351652506033E+03 0.26516E-04 -0.24968E-04 3888 0.403E-02 0.139E-01 RMM: 7 -0.351652430399E+03 0.75634E-04 -0.14064E-04 3875 0.368E-02 0.941E-02 RMM: 8 -0.351652383470E+03 0.46929E-04 -0.39950E-05 3134 0.193E-02 0.421E-02 RMM: 9 -0.351652408124E+03 -0.24654E-04 -0.22587E-05 2595 0.135E-02 0.675E-02 RMM: 10 -0.351652389933E+03 0.18191E-04 -0.19570E-05 2540 0.142E-02 5544 T= 6231. E= 0.67417401E+03 F= 0.62262407E+03 E0= 0.65156799E+03 EK= 0.51550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352774469863E+03 -0.11221E+01 -0.15422E-01 8388 0.227E+01 0.327E-01 RMM: 2 -0.352781112886E+03 -0.66430E-02 -0.63650E-02 5022 0.583E-01 0.691E-01 RMM: 3 -0.352778040239E+03 0.30726E-02 -0.68366E-03 5554 0.174E-01 0.264E-01 RMM: 4 -0.352778733389E+03 -0.69315E-03 -0.18198E-03 4881 0.109E-01 0.441E-01 RMM: 5 -0.352777555707E+03 0.11777E-02 -0.92435E-04 4608 0.835E-02 0.162E-01 RMM: 6 -0.352777422598E+03 0.13311E-03 -0.18964E-04 3889 0.359E-02 0.868E-02 RMM: 7 -0.352777411823E+03 0.10775E-04 -0.86421E-05 3793 0.292E-02 5545 T= 6072. E= 0.67215335E+03 F= 0.62191834E+03 E0= 0.65090256E+03 EK= 0.50235E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353776927820E+03 -0.99951E+00 -0.15791E-01 8652 0.225E+01 0.432E-01 RMM: 2 -0.353782075479E+03 -0.51477E-02 -0.62175E-02 5194 0.562E-01 0.683E-01 RMM: 3 -0.353779600137E+03 0.24753E-02 -0.62506E-03 5401 0.176E-01 0.404E-01 RMM: 4 -0.353780600834E+03 -0.10007E-02 -0.25370E-03 5129 0.129E-01 0.578E-01 RMM: 5 -0.353778392164E+03 0.22087E-02 -0.13643E-03 4608 0.994E-02 0.125E-01 RMM: 6 -0.353778427668E+03 -0.35504E-04 -0.25910E-04 3904 0.412E-02 0.151E-01 RMM: 7 -0.353778338937E+03 0.88731E-04 -0.11338E-04 3860 0.329E-02 0.105E-01 RMM: 8 -0.353778275817E+03 0.63120E-04 -0.39523E-05 3134 0.187E-02 0.396E-02 RMM: 9 -0.353778302484E+03 -0.26667E-04 -0.27013E-05 2773 0.147E-02 0.690E-02 RMM: 10 -0.353778281563E+03 0.20921E-04 -0.20284E-05 2554 0.146E-02 0.224E-02 RMM: 11 -0.353778279774E+03 0.17896E-05 -0.35728E-06 2430 0.557E-03 5546 T= 6019. E= 0.67113300E+03 F= 0.62134187E+03 E0= 0.65037188E+03 EK= 0.49791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354632752643E+03 -0.85447E+00 -0.16397E-01 8376 0.226E+01 0.332E-01 RMM: 2 -0.354638816331E+03 -0.60637E-02 -0.77270E-02 4924 0.621E-01 0.441E-01 RMM: 3 -0.354637917384E+03 0.89895E-03 -0.77664E-03 5560 0.181E-01 0.372E-01 RMM: 4 -0.354638107906E+03 -0.19052E-03 -0.15165E-03 4829 0.992E-02 0.436E-01 RMM: 5 -0.354636862483E+03 0.12454E-02 -0.78074E-04 4608 0.739E-02 0.101E-01 RMM: 6 -0.354636865953E+03 -0.34702E-05 -0.16967E-04 3883 0.335E-02 5547 T= 6082. E= 0.67122279E+03 F= 0.62090825E+03 E0= 0.64998822E+03 EK= 0.50315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355313426841E+03 -0.67656E+00 -0.16920E-01 8448 0.228E+01 0.439E-01 RMM: 2 -0.355325910684E+03 -0.12484E-01 -0.83470E-02 5070 0.642E-01 0.112E+00 RMM: 3 -0.355317571313E+03 0.83394E-02 -0.95128E-03 5403 0.218E-01 0.332E-01 RMM: 4 -0.355319279151E+03 -0.17078E-02 -0.28854E-03 5176 0.132E-01 0.619E-01 RMM: 5 -0.355316867926E+03 0.24112E-02 -0.13199E-03 4608 0.973E-02 0.178E-01 RMM: 6 -0.355316732898E+03 0.13503E-03 -0.29175E-04 3906 0.437E-02 0.118E-01 RMM: 7 -0.355316764623E+03 -0.31725E-04 -0.12796E-04 3874 0.329E-02 0.140E-01 RMM: 8 -0.355316642808E+03 0.12182E-03 -0.58911E-05 3408 0.228E-02 0.381E-02 RMM: 9 -0.355316666767E+03 -0.23959E-04 -0.26603E-05 2784 0.146E-02 0.665E-02 RMM: 10 -0.355316653171E+03 0.13596E-04 -0.17023E-05 2538 0.135E-02 5548 T= 6240. E= 0.67227301E+03 F= 0.62064949E+03 E0= 0.64978413E+03 EK= 0.51624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355771129590E+03 -0.45446E+00 -0.17395E-01 8460 0.232E+01 0.384E-01 RMM: 2 -0.355784165503E+03 -0.13036E-01 -0.80271E-02 5007 0.635E-01 0.114E+00 RMM: 3 -0.355775392215E+03 0.87733E-02 -0.89900E-03 5421 0.211E-01 0.270E-01 RMM: 4 -0.355776391353E+03 -0.99914E-03 -0.25205E-03 5126 0.122E-01 0.481E-01 RMM: 5 -0.355774958641E+03 0.14327E-02 -0.93237E-04 4607 0.827E-02 0.164E-01 RMM: 6 -0.355774790988E+03 0.16765E-03 -0.17119E-04 3890 0.337E-02 0.610E-02 RMM: 7 -0.355774826354E+03 -0.35366E-04 -0.49952E-05 3267 0.199E-02 0.988E-02 RMM: 8 -0.355774764188E+03 0.62166E-04 -0.29772E-05 2845 0.176E-02 0.241E-02 RMM: 9 -0.355774767567E+03 -0.33796E-05 -0.88862E-06 2466 0.827E-03 5549 T= 6442. E= 0.67389460E+03 F= 0.62060545E+03 E0= 0.64979440E+03 EK= 0.53289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355970759029E+03 -0.19599E+00 -0.18630E-01 8484 0.235E+01 0.392E-01 RMM: 2 -0.355978693056E+03 -0.79340E-02 -0.92817E-02 5007 0.672E-01 0.601E-01 RMM: 3 -0.355976825182E+03 0.18679E-02 -0.96118E-03 5510 0.205E-01 0.408E-01 RMM: 4 -0.355977380922E+03 -0.55574E-03 -0.17944E-03 4952 0.104E-01 0.524E-01 RMM: 5 -0.355975604338E+03 0.17766E-02 -0.85637E-04 4605 0.766E-02 0.118E-01 RMM: 6 -0.355975602735E+03 0.16037E-05 -0.21630E-04 3880 0.368E-02 0.123E-01 RMM: 7 -0.355975527601E+03 0.75134E-04 -0.74406E-05 3584 0.263E-02 0.745E-02 RMM: 8 -0.355975497684E+03 0.29917E-04 -0.22743E-05 2678 0.145E-02 0.337E-02 RMM: 9 -0.355975514475E+03 -0.16791E-04 -0.19858E-05 2535 0.125E-02 5550 T= 6615. E= 0.67553846E+03 F= 0.62081091E+03 E0= 0.65005161E+03 EK= 0.54728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355903840642E+03 0.71657E-01 -0.19381E-01 8196 0.237E+01 0.369E-01 RMM: 2 -0.355913597668E+03 -0.97570E-02 -0.98052E-02 4955 0.698E-01 0.726E-01 RMM: 3 -0.355910102993E+03 0.34947E-02 -0.10154E-02 5635 0.206E-01 0.301E-01 RMM: 4 -0.355910972276E+03 -0.86928E-03 -0.18273E-03 4967 0.104E-01 0.499E-01 RMM: 5 -0.355909373480E+03 0.15988E-02 -0.88497E-04 4608 0.791E-02 0.138E-01 RMM: 6 -0.355909312586E+03 0.60894E-04 -0.20281E-04 3882 0.362E-02 0.104E-01 RMM: 7 -0.355909312465E+03 0.12041E-06 -0.71513E-05 3559 0.251E-02 5551 T= 6697. E= 0.67667688E+03 F= 0.62127662E+03 E0= 0.65056448E+03 EK= 0.55400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355602026656E+03 0.30729E+00 -0.19641E-01 8040 0.237E+01 0.379E-01 RMM: 2 -0.355611552713E+03 -0.95261E-02 -0.10458E-01 4985 0.711E-01 0.600E-01 RMM: 3 -0.355609236003E+03 0.23167E-02 -0.10743E-02 5610 0.206E-01 0.369E-01 RMM: 4 -0.355609963187E+03 -0.72718E-03 -0.20241E-03 5100 0.113E-01 0.530E-01 RMM: 5 -0.355608108307E+03 0.18549E-02 -0.10619E-03 4609 0.860E-02 0.104E-01 RMM: 6 -0.355608227140E+03 -0.11883E-03 -0.23574E-04 3890 0.389E-02 0.172E-01 RMM: 7 -0.355608064739E+03 0.16240E-03 -0.10031E-04 3824 0.301E-02 0.808E-02 RMM: 8 -0.355608031718E+03 0.33021E-04 -0.32325E-05 3003 0.165E-02 0.393E-02 RMM: 9 -0.355608057197E+03 -0.25479E-04 -0.22354E-05 2570 0.135E-02 0.659E-02 RMM: 10 -0.355608035512E+03 0.21685E-04 -0.14955E-05 2506 0.125E-02 0.164E-02 RMM: 11 -0.355608035271E+03 0.24135E-06 -0.29543E-06 2423 0.496E-03 5552 T= 6656. E= 0.67703866E+03 F= 0.62197317E+03 E0= 0.65129955E+03 EK= 0.55065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355134877421E+03 0.47316E+00 -0.19506E-01 7908 0.235E+01 0.319E-01 RMM: 2 -0.355145546390E+03 -0.10669E-01 -0.10740E-01 4812 0.740E-01 0.651E-01 RMM: 3 -0.355142551394E+03 0.29950E-02 -0.11486E-02 5758 0.208E-01 0.258E-01 RMM: 4 -0.355143155808E+03 -0.60441E-03 -0.16360E-03 5002 0.103E-01 0.445E-01 RMM: 5 -0.355141897282E+03 0.12585E-02 -0.75926E-04 4594 0.732E-02 0.136E-01 RMM: 6 -0.355141861911E+03 0.35371E-04 -0.25379E-04 3904 0.408E-02 0.118E-01 RMM: 7 -0.355141805627E+03 0.56284E-04 -0.73384E-05 3552 0.271E-02 0.776E-02 RMM: 8 -0.355141767377E+03 0.38250E-04 -0.16271E-05 2555 0.125E-02 0.232E-02 RMM: 9 -0.355141771426E+03 -0.40488E-05 -0.97328E-06 2456 0.878E-03 5553 T= 6517. E= 0.67674213E+03 F= 0.62283307E+03 E0= 0.65218863E+03 EK= 0.53909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354595722938E+03 0.54604E+00 -0.18659E-01 8184 0.232E+01 0.337E-01 RMM: 2 -0.354603769381E+03 -0.80464E-02 -0.89249E-02 4910 0.674E-01 0.548E-01 RMM: 3 -0.354601854569E+03 0.19148E-02 -0.93105E-03 5665 0.194E-01 0.316E-01 RMM: 4 -0.354602449244E+03 -0.59467E-03 -0.16137E-03 4952 0.102E-01 0.465E-01 RMM: 5 -0.354601022755E+03 0.14265E-02 -0.84682E-04 4606 0.775E-02 0.120E-01 RMM: 6 -0.354601072058E+03 -0.49303E-04 -0.26853E-04 3907 0.421E-02 0.150E-01 RMM: 7 -0.354600987549E+03 0.84509E-04 -0.10410E-04 3827 0.316E-02 0.104E-01 RMM: 8 -0.354600921057E+03 0.66492E-04 -0.31744E-05 2988 0.169E-02 0.314E-02 RMM: 9 -0.354600940389E+03 -0.19332E-04 -0.20799E-05 2544 0.130E-02 5554 T= 6339. E= 0.67621012E+03 F= 0.62376750E+03 E0= 0.65314143E+03 EK= 0.52443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354065111553E+03 0.53581E+00 -0.17722E-01 8064 0.229E+01 0.316E-01 RMM: 2 -0.354073282838E+03 -0.81713E-02 -0.86124E-02 4862 0.665E-01 0.573E-01 RMM: 3 -0.354071098433E+03 0.21844E-02 -0.91667E-03 5743 0.186E-01 0.268E-01 RMM: 4 -0.354071540405E+03 -0.44197E-03 -0.16992E-03 5037 0.108E-01 0.421E-01 RMM: 5 -0.354070413052E+03 0.11274E-02 -0.86334E-04 4601 0.785E-02 0.117E-01 RMM: 6 -0.354070501299E+03 -0.88246E-04 -0.24279E-04 3894 0.402E-02 0.166E-01 RMM: 7 -0.354070373601E+03 0.12770E-03 -0.10273E-04 3813 0.315E-02 0.906E-02 RMM: 8 -0.354070323018E+03 0.50583E-04 -0.26281E-05 2833 0.156E-02 0.301E-02 RMM: 9 -0.354070336547E+03 -0.13529E-04 -0.16988E-05 2507 0.118E-02 5555 T= 6195. E= 0.67594323E+03 F= 0.62469161E+03 E0= 0.65407324E+03 EK= 0.51252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353601448986E+03 0.46887E+00 -0.17525E-01 7980 0.228E+01 0.331E-01 RMM: 2 -0.353610429115E+03 -0.89801E-02 -0.84802E-02 4860 0.662E-01 0.702E-01 RMM: 3 -0.353607133262E+03 0.32959E-02 -0.91482E-03 5611 0.190E-01 0.264E-01 RMM: 4 -0.353607853379E+03 -0.72012E-03 -0.18591E-03 5082 0.111E-01 0.451E-01 RMM: 5 -0.353606548170E+03 0.13052E-02 -0.78370E-04 4595 0.744E-02 0.134E-01 RMM: 6 -0.353606537006E+03 0.11164E-04 -0.22876E-04 3893 0.387E-02 0.132E-01 RMM: 7 -0.353606500916E+03 0.36090E-04 -0.97996E-05 3755 0.299E-02 0.113E-01 RMM: 8 -0.353606420983E+03 0.79933E-04 -0.39923E-05 3150 0.189E-02 0.286E-02 RMM: 9 -0.353606433757E+03 -0.12774E-04 -0.16205E-05 2516 0.114E-02 5556 T= 6137. E= 0.67631976E+03 F= 0.62554720E+03 E0= 0.65492583E+03 EK= 0.50773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353222391814E+03 0.38403E+00 -0.17522E-01 7956 0.229E+01 0.335E-01 RMM: 2 -0.353231223172E+03 -0.88314E-02 -0.83294E-02 4836 0.657E-01 0.696E-01 RMM: 3 -0.353227937466E+03 0.32857E-02 -0.91377E-03 5529 0.192E-01 0.267E-01 RMM: 4 -0.353228458366E+03 -0.52090E-03 -0.17205E-03 5058 0.106E-01 0.419E-01 RMM: 5 -0.353227345071E+03 0.11133E-02 -0.74783E-04 4593 0.728E-02 0.120E-01 RMM: 6 -0.353227345933E+03 -0.86137E-06 -0.18046E-04 3880 0.340E-02 5557 T= 6186. E= 0.67749084E+03 F= 0.62631345E+03 E0= 0.65567925E+03 EK= 0.51177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352908157460E+03 0.31919E+00 -0.17165E-01 7992 0.231E+01 0.446E-01 RMM: 2 -0.352929202433E+03 -0.21045E-01 -0.71668E-02 5023 0.633E-01 0.163E+00 RMM: 3 -0.352911461811E+03 0.17741E-01 -0.11784E-02 5357 0.262E-01 0.337E-01 RMM: 4 -0.352912153930E+03 -0.69212E-03 -0.26107E-03 5199 0.118E-01 0.485E-01 RMM: 5 -0.352910990919E+03 0.11630E-02 -0.10484E-03 4608 0.860E-02 0.261E-01 RMM: 6 -0.352910584059E+03 0.40686E-03 -0.38432E-04 3978 0.516E-02 0.102E-01 RMM: 7 -0.352910674402E+03 -0.90343E-04 -0.14869E-04 3880 0.330E-02 0.155E-01 RMM: 8 -0.352910522763E+03 0.15164E-03 -0.77220E-05 3578 0.264E-02 0.441E-02 RMM: 9 -0.352910526069E+03 -0.33058E-05 -0.22653E-05 2706 0.138E-02 5558 T= 6327. E= 0.67934912E+03 F= 0.62701025E+03 E0= 0.65635579E+03 EK= 0.52339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352600822825E+03 0.30970E+00 -0.17500E-01 7860 0.235E+01 0.400E-01 RMM: 2 -0.352622682731E+03 -0.21860E-01 -0.70050E-02 5032 0.631E-01 0.165E+00 RMM: 3 -0.352604428681E+03 0.18254E-01 -0.11501E-02 5354 0.258E-01 0.344E-01 RMM: 4 -0.352604704415E+03 -0.27573E-03 -0.26358E-03 5205 0.120E-01 0.412E-01 RMM: 5 -0.352603919921E+03 0.78449E-03 -0.75360E-04 4597 0.734E-02 0.239E-01 RMM: 6 -0.352603537917E+03 0.38200E-03 -0.22280E-04 3891 0.397E-02 0.565E-02 RMM: 7 -0.352603578681E+03 -0.40764E-04 -0.68277E-05 3464 0.219E-02 0.100E-01 RMM: 8 -0.352603514731E+03 0.63950E-04 -0.33241E-05 2973 0.188E-02 0.277E-02 RMM: 9 -0.352603512969E+03 0.17615E-05 -0.82423E-06 2461 0.840E-03 5559 T= 6510. E= 0.68154013E+03 F= 0.62768858E+03 E0= 0.65700648E+03 EK= 0.53852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352235427498E+03 0.36809E+00 -0.17643E-01 7992 0.239E+01 0.397E-01 RMM: 2 -0.352247010203E+03 -0.11583E-01 -0.73430E-02 5072 0.641E-01 0.110E+00 RMM: 3 -0.352239235850E+03 0.77744E-02 -0.90658E-03 5379 0.215E-01 0.292E-01 RMM: 4 -0.352240425406E+03 -0.11896E-02 -0.23293E-03 5101 0.116E-01 0.527E-01 RMM: 5 -0.352238702558E+03 0.17228E-02 -0.91092E-04 4606 0.808E-02 0.166E-01 RMM: 6 -0.352238549059E+03 0.15350E-03 -0.18500E-04 3882 0.344E-02 0.845E-02 RMM: 7 -0.352238586831E+03 -0.37773E-04 -0.86398E-05 3705 0.253E-02 0.117E-01 RMM: 8 -0.352238499729E+03 0.87102E-04 -0.45845E-05 3248 0.206E-02 0.340E-02 RMM: 9 -0.352238504295E+03 -0.45654E-05 -0.15172E-05 2512 0.109E-02 5560 T= 6664. E= 0.68354790E+03 F= 0.62841646E+03 E0= 0.65770175E+03 EK= 0.55131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351753117064E+03 0.48538E+00 -0.17822E-01 8064 0.242E+01 0.374E-01 RMM: 2 -0.351764102004E+03 -0.10985E-01 -0.72650E-02 5137 0.632E-01 0.105E+00 RMM: 3 -0.351757032015E+03 0.70700E-02 -0.87588E-03 5383 0.210E-01 0.278E-01 RMM: 4 -0.351758223080E+03 -0.11911E-02 -0.19272E-03 4937 0.107E-01 0.511E-01 RMM: 5 -0.351756579767E+03 0.16433E-02 -0.71476E-04 4605 0.707E-02 0.153E-01 RMM: 6 -0.351756451675E+03 0.12809E-03 -0.16982E-04 3876 0.331E-02 0.749E-02 RMM: 7 -0.351756499532E+03 -0.47857E-04 -0.73877E-05 3542 0.233E-02 0.114E-01 RMM: 8 -0.351756416538E+03 0.82993E-04 -0.42623E-05 3171 0.203E-02 0.263E-02 RMM: 9 -0.351756426722E+03 -0.10183E-04 -0.14434E-05 2506 0.107E-02 5561 T= 6725. E= 0.68488592E+03 F= 0.62925474E+03 E0= 0.65850644E+03 EK= 0.55631E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351127656814E+03 0.62876E+00 -0.17658E-01 8028 0.242E+01 0.347E-01 RMM: 2 -0.351135379736E+03 -0.77229E-02 -0.72960E-02 5130 0.620E-01 0.734E-01 RMM: 3 -0.351131890917E+03 0.34888E-02 -0.71837E-03 5413 0.183E-01 0.282E-01 RMM: 4 -0.351132702122E+03 -0.81120E-03 -0.17386E-03 4866 0.102E-01 0.466E-01 RMM: 5 -0.351131303878E+03 0.13982E-02 -0.79435E-04 4606 0.749E-02 0.116E-01 RMM: 6 -0.351131261870E+03 0.42008E-04 -0.14163E-04 3869 0.296E-02 0.954E-02 RMM: 7 -0.351131242415E+03 0.19455E-04 -0.56578E-05 3366 0.221E-02 5562 T= 6662. E= 0.68534095E+03 F= 0.63023217E+03 E0= 0.65945132E+03 EK= 0.55109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350378487682E+03 0.75277E+00 -0.17117E-01 7956 0.239E+01 0.347E-01 RMM: 2 -0.350386047078E+03 -0.75594E-02 -0.67772E-02 5238 0.588E-01 0.745E-01 RMM: 3 -0.350382361662E+03 0.36854E-02 -0.61420E-03 5415 0.171E-01 0.299E-01 RMM: 4 -0.350383245333E+03 -0.88367E-03 -0.18088E-03 4851 0.107E-01 0.484E-01 RMM: 5 -0.350381743302E+03 0.15020E-02 -0.83723E-04 4606 0.765E-02 0.128E-01 RMM: 6 -0.350381716514E+03 0.26788E-04 -0.18567E-04 3880 0.345E-02 0.117E-01 RMM: 7 -0.350381684974E+03 0.31540E-04 -0.82687E-05 3677 0.265E-02 0.983E-02 RMM: 8 -0.350381626495E+03 0.58479E-04 -0.36804E-05 3096 0.182E-02 0.311E-02 RMM: 9 -0.350381643364E+03 -0.16870E-04 -0.16990E-05 2521 0.116E-02 5563 T= 6500. E= 0.68510311E+03 F= 0.63133266E+03 E0= 0.66052376E+03 EK= 0.53770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349565145342E+03 0.81648E+00 -0.16438E-01 8028 0.236E+01 0.301E-01 RMM: 2 -0.349573846186E+03 -0.87008E-02 -0.71775E-02 5139 0.606E-01 0.791E-01 RMM: 3 -0.349569537292E+03 0.43089E-02 -0.67396E-03 5447 0.178E-01 0.219E-01 RMM: 4 -0.349570315111E+03 -0.77782E-03 -0.13567E-03 4709 0.919E-02 0.422E-01 RMM: 5 -0.349569178741E+03 0.11364E-02 -0.60493E-04 4602 0.662E-02 0.126E-01 RMM: 6 -0.349569129937E+03 0.48804E-04 -0.20873E-04 3893 0.371E-02 0.987E-02 RMM: 7 -0.349569135510E+03 -0.55732E-05 -0.70367E-05 3540 0.255E-02 5564 T= 6306. E= 0.68466013E+03 F= 0.63249620E+03 E0= 0.66166573E+03 EK= 0.52164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348773468627E+03 0.79566E+00 -0.15632E-01 7896 0.232E+01 0.341E-01 RMM: 2 -0.348780508441E+03 -0.70398E-02 -0.68863E-02 5337 0.592E-01 0.675E-01 RMM: 3 -0.348777456914E+03 0.30515E-02 -0.58659E-03 5461 0.165E-01 0.290E-01 RMM: 4 -0.348778153163E+03 -0.69625E-03 -0.16807E-03 4749 0.104E-01 0.454E-01 RMM: 5 -0.348776829545E+03 0.13236E-02 -0.90696E-04 4608 0.805E-02 0.138E-01 RMM: 6 -0.348776844049E+03 -0.14504E-04 -0.24408E-04 3899 0.404E-02 0.149E-01 RMM: 7 -0.348776790936E+03 0.53113E-04 -0.12605E-04 3872 0.334E-02 0.121E-01 RMM: 8 -0.348776699452E+03 0.91484E-04 -0.54161E-05 3351 0.218E-02 0.387E-02 RMM: 9 -0.348776708971E+03 -0.95194E-05 -0.18702E-05 2545 0.123E-02 5565 T= 6155. E= 0.68455621E+03 F= 0.63363964E+03 E0= 0.66279558E+03 EK= 0.50917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348084861823E+03 0.69184E+00 -0.15356E-01 8160 0.229E+01 0.277E-01 RMM: 2 -0.348094032766E+03 -0.91709E-02 -0.71083E-02 5253 0.603E-01 0.818E-01 RMM: 3 -0.348089438907E+03 0.45939E-02 -0.62371E-03 5539 0.167E-01 0.183E-01 RMM: 4 -0.348090032071E+03 -0.59316E-03 -0.11817E-03 4637 0.863E-02 0.371E-01 RMM: 5 -0.348089161672E+03 0.87040E-03 -0.52899E-04 4578 0.623E-02 0.116E-01 RMM: 6 -0.348089148980E+03 0.12693E-04 -0.18543E-04 3889 0.350E-02 5566 T= 6105. E= 0.68518269E+03 F= 0.63467640E+03 E0= 0.66382707E+03 EK= 0.50506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347574369530E+03 0.51479E+00 -0.15358E-01 7932 0.229E+01 0.456E-01 RMM: 2 -0.347609226286E+03 -0.34857E-01 -0.82141E-02 5275 0.669E-01 0.213E+00 RMM: 3 -0.347578580971E+03 0.30645E-01 -0.14683E-02 5343 0.299E-01 0.361E-01 RMM: 4 -0.347578410443E+03 0.17053E-03 -0.26483E-03 5190 0.116E-01 0.352E-01 RMM: 5 -0.347578231154E+03 0.17929E-03 -0.10844E-03 4608 0.874E-02 0.337E-01 RMM: 6 -0.347577527589E+03 0.70356E-03 -0.49256E-04 4450 0.588E-02 0.103E-01 RMM: 7 -0.347577662922E+03 -0.13533E-03 -0.21233E-04 3888 0.385E-02 0.180E-01 RMM: 8 -0.347577475982E+03 0.18694E-03 -0.11204E-04 3853 0.327E-02 0.616E-02 RMM: 9 -0.347577461063E+03 0.14919E-04 -0.20288E-05 2607 0.134E-02 5567 T= 6182. E= 0.68667289E+03 F= 0.63553283E+03 E0= 0.66469093E+03 EK= 0.51140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347289710709E+03 0.28777E+00 -0.15741E-01 8124 0.230E+01 0.419E-01 RMM: 2 -0.347322684581E+03 -0.32974E-01 -0.80211E-02 5350 0.645E-01 0.206E+00 RMM: 3 -0.347294039473E+03 0.28645E-01 -0.13735E-02 5334 0.289E-01 0.367E-01 RMM: 4 -0.347293594568E+03 0.44490E-03 -0.25696E-03 5136 0.116E-01 0.291E-01 RMM: 5 -0.347293534847E+03 0.59721E-04 -0.57716E-04 4560 0.623E-02 0.290E-01 RMM: 6 -0.347292983642E+03 0.55121E-03 -0.25896E-04 3892 0.433E-02 0.533E-02 RMM: 7 -0.347293048845E+03 -0.65203E-04 -0.85989E-05 3607 0.245E-02 0.114E-01 RMM: 8 -0.347292978470E+03 0.70375E-04 -0.38146E-05 3082 0.195E-02 0.489E-02 RMM: 9 -0.347292964942E+03 0.13528E-04 -0.12199E-05 2486 0.104E-02 5568 T= 6371. E= 0.68885905E+03 F= 0.63615523E+03 E0= 0.66533126E+03 EK= 0.52704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347256529899E+03 0.36449E-01 -0.16489E-01 8112 0.234E+01 0.372E-01 RMM: 2 -0.347275820144E+03 -0.19290E-01 -0.97419E-02 5232 0.694E-01 0.137E+00 RMM: 3 -0.347262884415E+03 0.12936E-01 -0.11344E-02 5359 0.242E-01 0.312E-01 RMM: 4 -0.347262969940E+03 -0.85526E-04 -0.21299E-03 4915 0.106E-01 0.353E-01 RMM: 5 -0.347262453897E+03 0.51604E-03 -0.72223E-04 4603 0.726E-02 0.240E-01 RMM: 6 -0.347262089120E+03 0.36478E-03 -0.22177E-04 3884 0.386E-02 0.663E-02 RMM: 7 -0.347262171268E+03 -0.82148E-04 -0.12785E-04 3885 0.299E-02 0.130E-01 RMM: 8 -0.347262063484E+03 0.10778E-03 -0.60024E-05 3397 0.233E-02 0.370E-02 RMM: 9 -0.347262059763E+03 0.37216E-05 -0.11733E-05 2496 0.989E-03 5569 T= 6618. E= 0.69126248E+03 F= 0.63651611E+03 E0= 0.66572456E+03 EK= 0.54746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347483240779E+03 -0.22118E+00 -0.17059E-01 8700 0.237E+01 0.350E-01 RMM: 2 -0.347496441480E+03 -0.13201E-01 -0.96811E-02 5377 0.679E-01 0.992E-01 RMM: 3 -0.347489478963E+03 0.69625E-02 -0.93277E-03 5408 0.208E-01 0.238E-01 RMM: 4 -0.347490259659E+03 -0.78070E-03 -0.18141E-03 4740 0.101E-01 0.433E-01 RMM: 5 -0.347489100090E+03 0.11596E-02 -0.68002E-04 4590 0.683E-02 0.142E-01 RMM: 6 -0.347488992968E+03 0.10712E-03 -0.14412E-04 3880 0.306E-02 0.725E-02 RMM: 7 -0.347489047809E+03 -0.54842E-04 -0.74339E-05 3564 0.235E-02 0.118E-01 RMM: 8 -0.347488960238E+03 0.87572E-04 -0.40221E-05 3140 0.195E-02 0.268E-02 RMM: 9 -0.347488965866E+03 -0.56283E-05 -0.13149E-05 2484 0.101E-02 5570 T= 6836. E= 0.69316350E+03 F= 0.63661214E+03 E0= 0.66586696E+03 EK= 0.56551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347950941054E+03 -0.46198E+00 -0.18777E-01 8592 0.239E+01 0.337E-01 RMM: 2 -0.347966128456E+03 -0.15187E-01 -0.13041E-01 5215 0.773E-01 0.876E-01 RMM: 3 -0.347960188182E+03 0.59403E-02 -0.11329E-02 5528 0.221E-01 0.266E-01 RMM: 4 -0.347960842361E+03 -0.65418E-03 -0.19092E-03 4882 0.104E-01 0.431E-01 RMM: 5 -0.347959716319E+03 0.11260E-02 -0.68153E-04 4550 0.672E-02 0.161E-01 RMM: 6 -0.347959568995E+03 0.14732E-03 -0.16662E-04 3880 0.332E-02 0.724E-02 RMM: 7 -0.347959635995E+03 -0.67000E-04 -0.91286E-05 3713 0.257E-02 0.124E-01 RMM: 8 -0.347959536497E+03 0.99498E-04 -0.46911E-05 3225 0.208E-02 0.303E-02 RMM: 9 -0.347959538767E+03 -0.22704E-05 -0.13532E-05 2493 0.104E-02 5571 T= 6937. E= 0.69384593E+03 F= 0.63646022E+03 E0= 0.66577552E+03 EK= 0.57386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348641824073E+03 -0.68229E+00 -0.20199E-01 9096 0.239E+01 0.342E-01 RMM: 2 -0.348658127881E+03 -0.16304E-01 -0.13156E-01 5457 0.735E-01 0.946E-01 RMM: 3 -0.348650573216E+03 0.75547E-02 -0.92646E-03 5465 0.205E-01 0.244E-01 RMM: 4 -0.348651287242E+03 -0.71403E-03 -0.19388E-03 4794 0.105E-01 0.425E-01 RMM: 5 -0.348650162837E+03 0.11244E-02 -0.69299E-04 4585 0.688E-02 0.144E-01 RMM: 6 -0.348650062332E+03 0.10051E-03 -0.14673E-04 3880 0.305E-02 0.818E-02 RMM: 7 -0.348650094024E+03 -0.31693E-04 -0.86917E-05 3692 0.255E-02 0.109E-01 RMM: 8 -0.348650019537E+03 0.74487E-04 -0.45299E-05 3225 0.205E-02 0.265E-02 RMM: 9 -0.348650026610E+03 -0.70730E-05 -0.12898E-05 2487 0.101E-02 5572 T= 6874. E= 0.69295753E+03 F= 0.63608812E+03 E0= 0.66547468E+03 EK= 0.56869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349521005147E+03 -0.87099E+00 -0.21934E-01 9000 0.237E+01 0.338E-01 RMM: 2 -0.349539207475E+03 -0.18202E-01 -0.14398E-01 5455 0.760E-01 0.100E+00 RMM: 3 -0.349530819737E+03 0.83877E-02 -0.96400E-03 5475 0.209E-01 0.256E-01 RMM: 4 -0.349531414409E+03 -0.59467E-03 -0.19685E-03 4809 0.105E-01 0.411E-01 RMM: 5 -0.349530435980E+03 0.97843E-03 -0.71242E-04 4602 0.702E-02 0.173E-01 RMM: 6 -0.349530277316E+03 0.15866E-03 -0.20076E-04 3881 0.363E-02 0.847E-02 RMM: 7 -0.349530347716E+03 -0.70400E-04 -0.10819E-04 3832 0.284E-02 0.132E-01 RMM: 8 -0.349530238206E+03 0.10951E-03 -0.53729E-05 3338 0.220E-02 0.347E-02 RMM: 9 -0.349530237875E+03 0.33101E-06 -0.11924E-05 2493 0.982E-03 5573 T= 6673. E= 0.69073145E+03 F= 0.63553009E+03 E0= 0.66499492E+03 EK= 0.55201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350555986846E+03 -0.10257E+01 -0.23487E-01 8820 0.233E+01 0.329E-01 RMM: 2 -0.350572404822E+03 -0.16418E-01 -0.14114E-01 5794 0.714E-01 0.865E-01 RMM: 3 -0.350565517294E+03 0.68875E-02 -0.73970E-03 5384 0.187E-01 0.242E-01 RMM: 4 -0.350566189018E+03 -0.67172E-03 -0.18042E-03 4716 0.102E-01 0.413E-01 RMM: 5 -0.350565134887E+03 0.10541E-02 -0.73400E-04 4590 0.716E-02 0.148E-01 RMM: 6 -0.350565055731E+03 0.79156E-04 -0.18780E-04 3877 0.348E-02 0.105E-01 RMM: 7 -0.350565073616E+03 -0.17885E-04 -0.98251E-05 3829 0.286E-02 5574 T= 6410. E= 0.68785614E+03 F= 0.63482424E+03 E0= 0.66436916E+03 EK= 0.53032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351700470722E+03 -0.11354E+01 -0.25630E-01 8796 0.229E+01 0.358E-01 RMM: 2 -0.351717261833E+03 -0.16791E-01 -0.14664E-01 5823 0.724E-01 0.867E-01 RMM: 3 -0.351710545117E+03 0.67167E-02 -0.78120E-03 5410 0.189E-01 0.283E-01 RMM: 4 -0.351711403392E+03 -0.85827E-03 -0.20832E-03 4791 0.110E-01 0.475E-01 RMM: 5 -0.351710017641E+03 0.13858E-02 -0.95877E-04 4607 0.823E-02 0.159E-01 RMM: 6 -0.351709960477E+03 0.57165E-04 -0.24084E-04 3888 0.391E-02 0.132E-01 RMM: 7 -0.351709945502E+03 0.14974E-04 -0.13424E-04 3875 0.341E-02 5575 T= 6178. E= 0.68512299E+03 F= 0.63401619E+03 E0= 0.66363701E+03 EK= 0.51107E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352895507708E+03 -0.11855E+01 -0.27712E-01 8868 0.227E+01 0.354E-01 RMM: 2 -0.352913763520E+03 -0.18256E-01 -0.14997E-01 5714 0.745E-01 0.973E-01 RMM: 3 -0.352906097032E+03 0.76665E-02 -0.91728E-03 5416 0.205E-01 0.269E-01 RMM: 4 -0.352906824352E+03 -0.72732E-03 -0.19446E-03 4838 0.104E-01 0.442E-01 RMM: 5 -0.352905776255E+03 0.10481E-02 -0.78040E-04 4589 0.734E-02 0.212E-01 RMM: 6 -0.352905519803E+03 0.25645E-03 -0.28539E-04 3911 0.436E-02 0.831E-02 RMM: 7 -0.352905619006E+03 -0.99203E-04 -0.11466E-04 3869 0.303E-02 0.145E-01 RMM: 8 -0.352905489224E+03 0.12978E-03 -0.50085E-05 3298 0.214E-02 0.381E-02 RMM: 9 -0.352905492628E+03 -0.34036E-05 -0.16157E-05 2528 0.114E-02 5576 T= 6041. E= 0.68313605E+03 F= 0.63316412E+03 E0= 0.66285544E+03 EK= 0.49972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354067820954E+03 -0.11623E+01 -0.29118E-01 8928 0.227E+01 0.304E-01 RMM: 2 -0.354083659172E+03 -0.15838E-01 -0.14640E-01 6186 0.717E-01 0.733E-01 RMM: 3 -0.354078633840E+03 0.50253E-02 -0.64685E-03 5408 0.176E-01 0.227E-01 RMM: 4 -0.354079412535E+03 -0.77870E-03 -0.13942E-03 4669 0.887E-02 0.431E-01 RMM: 5 -0.354078246532E+03 0.11660E-02 -0.57299E-04 4536 0.630E-02 0.989E-02 RMM: 6 -0.354078251062E+03 -0.45304E-05 -0.14564E-04 3875 0.304E-02 5577 T= 6027. E= 0.68220163E+03 F= 0.63233851E+03 E0= 0.66208945E+03 EK= 0.49863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355133450508E+03 -0.10552E+01 -0.30364E-01 8820 0.229E+01 0.444E-01 RMM: 2 -0.355160900650E+03 -0.27450E-01 -0.15166E-01 5888 0.739E-01 0.157E+00 RMM: 3 -0.355143288820E+03 0.17612E-01 -0.12291E-02 5358 0.255E-01 0.333E-01 RMM: 4 -0.355144044195E+03 -0.75538E-03 -0.26924E-03 5044 0.119E-01 0.488E-01 RMM: 5 -0.355142898138E+03 0.11461E-02 -0.90387E-04 4607 0.781E-02 0.272E-01 RMM: 6 -0.355142453751E+03 0.44439E-03 -0.35655E-04 3910 0.488E-02 0.984E-02 RMM: 7 -0.355142596739E+03 -0.14299E-03 -0.17904E-04 3884 0.355E-02 0.175E-01 RMM: 8 -0.355142407035E+03 0.18970E-03 -0.94700E-05 3737 0.282E-02 0.479E-02 RMM: 9 -0.355142408813E+03 -0.17778E-05 -0.25365E-05 2811 0.144E-02 5578 T= 6130. E= 0.68233357E+03 F= 0.63162140E+03 E0= 0.66142086E+03 EK= 0.50712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355998528019E+03 -0.85612E+00 -0.31109E-01 8772 0.233E+01 0.413E-01 RMM: 2 -0.356030034001E+03 -0.31506E-01 -0.15339E-01 5781 0.751E-01 0.172E+00 RMM: 3 -0.356008695110E+03 0.21339E-01 -0.12704E-02 5357 0.259E-01 0.322E-01 RMM: 4 -0.356009048192E+03 -0.35308E-03 -0.27031E-03 5003 0.118E-01 0.414E-01 RMM: 5 -0.356008327641E+03 0.72055E-03 -0.70767E-04 4592 0.689E-02 0.256E-01 RMM: 6 -0.356007901461E+03 0.42618E-03 -0.22341E-04 3885 0.390E-02 0.543E-02 RMM: 7 -0.356007976379E+03 -0.74918E-04 -0.94985E-05 3727 0.254E-02 0.119E-01 RMM: 8 -0.356007894960E+03 0.81419E-04 -0.44740E-05 3183 0.205E-02 0.395E-02 RMM: 9 -0.356007890717E+03 0.42431E-05 -0.12540E-05 2492 0.101E-02 5579 T= 6308. E= 0.68328476E+03 F= 0.63109959E+03 E0= 0.66093352E+03 EK= 0.52185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356589122326E+03 -0.58123E+00 -0.31745E-01 8868 0.237E+01 0.381E-01 RMM: 2 -0.356611433213E+03 -0.22311E-01 -0.14725E-01 6010 0.726E-01 0.129E+00 RMM: 3 -0.356599289946E+03 0.12143E-01 -0.86259E-03 5374 0.206E-01 0.302E-01 RMM: 4 -0.356599868033E+03 -0.57809E-03 -0.23106E-03 4799 0.112E-01 0.439E-01 RMM: 5 -0.356598824514E+03 0.10435E-02 -0.76644E-04 4569 0.725E-02 0.210E-01 RMM: 6 -0.356598562791E+03 0.26172E-03 -0.22762E-04 3895 0.388E-02 0.822E-02 RMM: 7 -0.356598651995E+03 -0.89205E-04 -0.13071E-04 3880 0.303E-02 0.143E-01 RMM: 8 -0.356598529025E+03 0.12297E-03 -0.63609E-05 3435 0.232E-02 0.459E-02 RMM: 9 -0.356598523761E+03 0.52637E-05 -0.17424E-05 2529 0.119E-02 5580 T= 6498. E= 0.68460007E+03 F= 0.63084738E+03 E0= 0.66070188E+03 EK= 0.53753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356865559107E+03 -0.26703E+00 -0.31622E-01 8952 0.241E+01 0.383E-01 RMM: 2 -0.356891662160E+03 -0.26103E-01 -0.15159E-01 5762 0.754E-01 0.146E+00 RMM: 3 -0.356875959384E+03 0.15703E-01 -0.11046E-02 5387 0.231E-01 0.264E-01 RMM: 4 -0.356876697495E+03 -0.73811E-03 -0.21925E-03 4783 0.107E-01 0.446E-01 RMM: 5 -0.356875616703E+03 0.10808E-02 -0.70672E-04 4598 0.686E-02 0.203E-01 RMM: 6 -0.356875375855E+03 0.24085E-03 -0.21962E-04 3882 0.377E-02 0.794E-02 RMM: 7 -0.356875474280E+03 -0.98425E-04 -0.12016E-04 3856 0.286E-02 0.147E-01 RMM: 8 -0.356875341069E+03 0.13321E-03 -0.61724E-05 3432 0.232E-02 0.317E-02 RMM: 9 -0.356875346752E+03 -0.56835E-05 -0.13507E-05 2510 0.103E-02 5581 T= 6629. E= 0.68574279E+03 F= 0.63090356E+03 E0= 0.66076575E+03 EK= 0.54839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356848390387E+03 0.26951E-01 -0.31031E-01 8940 0.242E+01 0.320E-01 RMM: 2 -0.356866783014E+03 -0.18393E-01 -0.14821E-01 6002 0.748E-01 0.967E-01 RMM: 3 -0.356859403868E+03 0.73791E-02 -0.81742E-03 5410 0.194E-01 0.266E-01 RMM: 4 -0.356859862780E+03 -0.45891E-03 -0.17722E-03 4761 0.996E-02 0.389E-01 RMM: 5 -0.356858972876E+03 0.88990E-03 -0.65593E-04 4595 0.678E-02 0.163E-01 RMM: 6 -0.356858858812E+03 0.11406E-03 -0.20687E-04 3888 0.365E-02 0.103E-01 RMM: 7 -0.356858908262E+03 -0.49451E-04 -0.10350E-04 3845 0.280E-02 0.133E-01 RMM: 8 -0.356858797362E+03 0.11090E-03 -0.50534E-05 3310 0.210E-02 0.352E-02 RMM: 9 -0.356858799760E+03 -0.23986E-05 -0.14873E-05 2503 0.108E-02 5582 T= 6655. E= 0.68630553E+03 F= 0.63124897E+03 E0= 0.66110821E+03 EK= 0.55057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356625785045E+03 0.23301E+00 -0.27800E-01 8904 0.241E+01 0.340E-01 RMM: 2 -0.356648484865E+03 -0.22700E-01 -0.14085E-01 5739 0.765E-01 0.131E+00 RMM: 3 -0.356636033088E+03 0.12452E-01 -0.10338E-02 5380 0.224E-01 0.264E-01 RMM: 4 -0.356636215185E+03 -0.18210E-03 -0.17874E-03 4728 0.967E-02 0.334E-01 RMM: 5 -0.356635656355E+03 0.55883E-03 -0.62391E-04 4604 0.657E-02 0.193E-01 RMM: 6 -0.356635476953E+03 0.17940E-03 -0.22353E-04 3887 0.385E-02 0.106E-01 RMM: 7 -0.356635535425E+03 -0.58471E-04 -0.13865E-04 3887 0.325E-02 0.142E-01 RMM: 8 -0.356635413059E+03 0.12237E-03 -0.63195E-05 3439 0.235E-02 0.409E-02 RMM: 9 -0.356635411277E+03 0.17820E-05 -0.13180E-05 2501 0.103E-02 5583 T= 6576. E= 0.68619652E+03 F= 0.63179901E+03 E0= 0.66164814E+03 EK= 0.54398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356322598238E+03 0.31281E+00 -0.23537E-01 8868 0.238E+01 0.320E-01 RMM: 2 -0.356340626143E+03 -0.18028E-01 -0.12657E-01 5654 0.741E-01 0.109E+00 RMM: 3 -0.356332001311E+03 0.86248E-02 -0.93562E-03 5405 0.209E-01 0.281E-01 RMM: 4 -0.356331949939E+03 0.51372E-04 -0.14953E-03 4698 0.880E-02 0.295E-01 RMM: 5 -0.356331577390E+03 0.37255E-03 -0.67276E-04 4592 0.703E-02 0.205E-01 RMM: 6 -0.356331367446E+03 0.20994E-03 -0.28941E-04 3903 0.439E-02 0.108E-01 RMM: 7 -0.356331468283E+03 -0.10084E-03 -0.14357E-04 3880 0.336E-02 0.162E-01 RMM: 8 -0.356331302431E+03 0.16585E-03 -0.72011E-05 3554 0.249E-02 0.419E-02 RMM: 9 -0.356331301362E+03 0.10686E-05 -0.15708E-05 2527 0.113E-02 5584 T= 6434. E= 0.68565710E+03 F= 0.63242916E+03 E0= 0.66226434E+03 EK= 0.53228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356054534034E+03 0.27677E+00 -0.19607E-01 8916 0.235E+01 0.324E-01 RMM: 2 -0.356073161252E+03 -0.18627E-01 -0.10450E-01 5491 0.690E-01 0.128E+00 RMM: 3 -0.356061872852E+03 0.11288E-01 -0.91752E-03 5390 0.214E-01 0.263E-01 RMM: 4 -0.356061999396E+03 -0.12654E-03 -0.16417E-03 4720 0.937E-02 0.319E-01 RMM: 5 -0.356061531689E+03 0.46771E-03 -0.64207E-04 4599 0.683E-02 0.202E-01 RMM: 6 -0.356061313982E+03 0.21771E-03 -0.23267E-04 3890 0.395E-02 0.968E-02 RMM: 7 -0.356061333558E+03 -0.19576E-04 -0.11164E-04 3881 0.307E-02 5585 T= 6295. E= 0.68510197E+03 F= 0.63302521E+03 E0= 0.66284603E+03 EK= 0.52077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355883112362E+03 0.17820E+00 -0.17055E-01 8244 0.233E+01 0.342E-01 RMM: 2 -0.355895931310E+03 -0.12819E-01 -0.88594E-02 5307 0.642E-01 0.101E+00 RMM: 3 -0.355888783703E+03 0.71476E-02 -0.79775E-03 5422 0.193E-01 0.285E-01 RMM: 4 -0.355889173613E+03 -0.38991E-03 -0.18559E-03 4812 0.105E-01 0.387E-01 RMM: 5 -0.355888334686E+03 0.83893E-03 -0.74990E-04 4602 0.729E-02 0.191E-01 RMM: 6 -0.355888167436E+03 0.16725E-03 -0.25281E-04 3891 0.402E-02 0.114E-01 RMM: 7 -0.355888209279E+03 -0.41843E-04 -0.14132E-04 3878 0.339E-02 0.136E-01 RMM: 8 -0.355888093409E+03 0.11587E-03 -0.68962E-05 3502 0.245E-02 0.412E-02 RMM: 9 -0.355888102255E+03 -0.88463E-05 -0.18298E-05 2548 0.120E-02 5586 T= 6212. E= 0.68491304E+03 F= 0.63352396E+03 E0= 0.66333395E+03 EK= 0.51389E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355805299628E+03 0.82794E-01 -0.16144E-01 8124 0.232E+01 0.304E-01 RMM: 2 -0.355818133108E+03 -0.12833E-01 -0.75394E-02 5129 0.619E-01 0.108E+00 RMM: 3 -0.355810212864E+03 0.79202E-02 -0.81400E-03 5424 0.199E-01 0.262E-01 RMM: 4 -0.355810463162E+03 -0.25030E-03 -0.14851E-03 4749 0.912E-02 0.329E-01 RMM: 5 -0.355809921022E+03 0.54214E-03 -0.49510E-04 4538 0.582E-02 0.185E-01 RMM: 6 -0.355809705159E+03 0.21586E-03 -0.16801E-04 3883 0.342E-02 0.588E-02 RMM: 7 -0.355809747600E+03 -0.42441E-04 -0.66704E-05 3461 0.220E-02 0.102E-01 RMM: 8 -0.355809685788E+03 0.61812E-04 -0.33832E-05 3030 0.188E-02 0.320E-02 RMM: 9 -0.355809682544E+03 0.32435E-05 -0.77041E-06 2461 0.800E-03 5587 T= 6211. E= 0.68530858E+03 F= 0.63392579E+03 E0= 0.66372934E+03 EK= 0.51383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355774259225E+03 0.35427E-01 -0.16157E-01 8196 0.233E+01 0.356E-01 RMM: 2 -0.355785062464E+03 -0.10803E-01 -0.73611E-02 5269 0.613E-01 0.101E+00 RMM: 3 -0.355778369936E+03 0.66925E-02 -0.75375E-03 5447 0.191E-01 0.274E-01 RMM: 4 -0.355779177898E+03 -0.80796E-03 -0.18856E-03 4815 0.105E-01 0.454E-01 RMM: 5 -0.355777993829E+03 0.11841E-02 -0.69696E-04 4580 0.692E-02 0.191E-01 RMM: 6 -0.355777780285E+03 0.21354E-03 -0.18694E-04 3884 0.348E-02 0.726E-02 RMM: 7 -0.355777849024E+03 -0.68739E-04 -0.93960E-05 3753 0.261E-02 0.127E-01 RMM: 8 -0.355777748136E+03 0.10089E-03 -0.48773E-05 3256 0.210E-02 0.337E-02 RMM: 9 -0.355777752186E+03 -0.40501E-05 -0.16293E-05 2514 0.113E-02 5588 T= 6288. E= 0.68629723E+03 F= 0.63427718E+03 E0= 0.66407905E+03 EK= 0.52020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355726660763E+03 0.51087E-01 -0.16516E-01 8520 0.235E+01 0.363E-01 RMM: 2 -0.355741083367E+03 -0.14423E-01 -0.82694E-02 5286 0.647E-01 0.119E+00 RMM: 3 -0.355731584003E+03 0.94994E-02 -0.91249E-03 5457 0.213E-01 0.315E-01 RMM: 4 -0.355731825213E+03 -0.24121E-03 -0.19049E-03 4760 0.103E-01 0.371E-01 RMM: 5 -0.355731090565E+03 0.73465E-03 -0.56331E-04 4537 0.608E-02 0.199E-01 RMM: 6 -0.355730842794E+03 0.24777E-03 -0.16891E-04 3879 0.342E-02 0.629E-02 RMM: 7 -0.355730908048E+03 -0.65253E-04 -0.86924E-05 3646 0.243E-02 0.120E-01 RMM: 8 -0.355730825410E+03 0.82638E-04 -0.47165E-05 3229 0.209E-02 0.403E-02 RMM: 9 -0.355730822335E+03 0.30747E-05 -0.15037E-05 2510 0.111E-02 5589 T= 6412. E= 0.68768513E+03 F= 0.63463818E+03 E0= 0.66444376E+03 EK= 0.53047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355612365846E+03 0.11846E+00 -0.17400E-01 8976 0.237E+01 0.348E-01 RMM: 2 -0.355626594854E+03 -0.14229E-01 -0.87971E-02 5355 0.643E-01 0.115E+00 RMM: 3 -0.355617519785E+03 0.90751E-02 -0.82012E-03 5431 0.199E-01 0.248E-01 RMM: 4 -0.355618275448E+03 -0.75566E-03 -0.18556E-03 4759 0.103E-01 0.429E-01 RMM: 5 -0.355617220899E+03 0.10545E-02 -0.58972E-04 4544 0.625E-02 0.184E-01 RMM: 6 -0.355617018981E+03 0.20192E-03 -0.16941E-04 3884 0.333E-02 0.687E-02 RMM: 7 -0.355617082805E+03 -0.63824E-04 -0.96875E-05 3738 0.257E-02 0.124E-01 RMM: 8 -0.355616989231E+03 0.93575E-04 -0.56675E-05 3358 0.223E-02 0.321E-02 RMM: 9 -0.355616993964E+03 -0.47336E-05 -0.15198E-05 2518 0.110E-02 5590 T= 6536. E= 0.68913410E+03 F= 0.63506017E+03 E0= 0.66487395E+03 EK= 0.54074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355397431771E+03 0.21956E+00 -0.18472E-01 8784 0.239E+01 0.329E-01 RMM: 2 -0.355411142405E+03 -0.13711E-01 -0.97250E-02 5308 0.669E-01 0.103E+00 RMM: 3 -0.355403548333E+03 0.75941E-02 -0.84756E-03 5481 0.197E-01 0.258E-01 RMM: 4 -0.355404045003E+03 -0.49667E-03 -0.17475E-03 4740 0.100E-01 0.385E-01 RMM: 5 -0.355403153637E+03 0.89137E-03 -0.57331E-04 4516 0.623E-02 0.165E-01 RMM: 6 -0.355402994908E+03 0.15873E-03 -0.14921E-04 3876 0.316E-02 0.699E-02 RMM: 7 -0.355403065648E+03 -0.70740E-04 -0.91582E-05 3721 0.250E-02 0.128E-01 RMM: 8 -0.355402966082E+03 0.99566E-04 -0.50088E-05 3274 0.212E-02 0.343E-02 RMM: 9 -0.355402966881E+03 -0.79896E-06 -0.14099E-05 2507 0.106E-02 5591 T= 6612. E= 0.69027824E+03 F= 0.63557697E+03 E0= 0.66540321E+03 EK= 0.54701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355072214715E+03 0.33075E+00 -0.18829E-01 8832 0.240E+01 0.322E-01 RMM: 2 -0.355085718384E+03 -0.13504E-01 -0.97170E-02 5422 0.655E-01 0.102E+00 RMM: 3 -0.355078197055E+03 0.75213E-02 -0.76626E-03 5514 0.190E-01 0.226E-01 RMM: 4 -0.355078747435E+03 -0.55038E-03 -0.16317E-03 4713 0.963E-02 0.386E-01 RMM: 5 -0.355077894787E+03 0.85265E-03 -0.56623E-04 4532 0.619E-02 0.164E-01 RMM: 6 -0.355077748459E+03 0.14633E-03 -0.15815E-04 3883 0.326E-02 0.769E-02 RMM: 7 -0.355077816030E+03 -0.67571E-04 -0.95053E-05 3753 0.261E-02 0.128E-01 RMM: 8 -0.355077712978E+03 0.10305E-03 -0.51634E-05 3295 0.216E-02 0.330E-02 RMM: 9 -0.355077714333E+03 -0.13556E-05 -0.13447E-05 2502 0.103E-02 5592 T= 6609. E= 0.69087675E+03 F= 0.63620091E+03 E0= 0.66604235E+03 EK= 0.54676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354645773177E+03 0.43194E+00 -0.19082E-01 8916 0.240E+01 0.317E-01 RMM: 2 -0.354661500125E+03 -0.15727E-01 -0.10312E-01 5423 0.669E-01 0.111E+00 RMM: 3 -0.354652360892E+03 0.91392E-02 -0.78797E-03 5416 0.195E-01 0.254E-01 RMM: 4 -0.354652655223E+03 -0.29433E-03 -0.16852E-03 4709 0.968E-02 0.343E-01 RMM: 5 -0.354652018605E+03 0.63662E-03 -0.55900E-04 4557 0.622E-02 0.177E-01 RMM: 6 -0.354651837880E+03 0.18073E-03 -0.17301E-04 3882 0.339E-02 0.755E-02 RMM: 7 -0.354651912849E+03 -0.74969E-04 -0.10384E-04 3824 0.275E-02 0.130E-01 RMM: 8 -0.354651808407E+03 0.10444E-03 -0.51196E-05 3316 0.214E-02 0.373E-02 RMM: 9 -0.354651805959E+03 0.24488E-05 -0.12620E-05 2498 0.101E-02 5593 T= 6529. E= 0.69093161E+03 F= 0.63692294E+03 E0= 0.66678161E+03 EK= 0.54009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354151950093E+03 0.49986E+00 -0.19398E-01 8820 0.238E+01 0.324E-01 RMM: 2 -0.354168485927E+03 -0.16536E-01 -0.10859E-01 5464 0.686E-01 0.115E+00 RMM: 3 -0.354158937600E+03 0.95483E-02 -0.86985E-03 5472 0.202E-01 0.237E-01 RMM: 4 -0.354159234547E+03 -0.29695E-03 -0.15963E-03 4675 0.932E-02 0.340E-01 RMM: 5 -0.354158630380E+03 0.60417E-03 -0.52817E-04 4551 0.599E-02 0.182E-01 RMM: 6 -0.354158446332E+03 0.18405E-03 -0.18533E-04 3889 0.356E-02 0.820E-02 RMM: 7 -0.354158523181E+03 -0.76850E-04 -0.11472E-04 3863 0.288E-02 0.136E-01 RMM: 8 -0.354158409599E+03 0.11358E-03 -0.57903E-05 3359 0.227E-02 0.364E-02 RMM: 9 -0.354158408268E+03 0.13313E-05 -0.12872E-05 2499 0.102E-02 5594 T= 6403. E= 0.69068339E+03 F= 0.63771103E+03 E0= 0.66758708E+03 EK= 0.52972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353638526052E+03 0.51988E+00 -0.20171E-01 8856 0.236E+01 0.322E-01 RMM: 2 -0.353657636721E+03 -0.19111E-01 -0.11488E-01 5467 0.703E-01 0.124E+00 RMM: 3 -0.353646170344E+03 0.11466E-01 -0.90122E-03 5406 0.208E-01 0.273E-01 RMM: 4 -0.353646222748E+03 -0.52405E-04 -0.16909E-03 4721 0.948E-02 0.304E-01 RMM: 5 -0.353645798189E+03 0.42456E-03 -0.55526E-04 4559 0.621E-02 0.198E-01 RMM: 6 -0.353645568714E+03 0.22948E-03 -0.19581E-04 3882 0.360E-02 0.748E-02 RMM: 7 -0.353645655721E+03 -0.87007E-04 -0.11648E-04 3872 0.291E-02 0.135E-01 RMM: 8 -0.353645541886E+03 0.11383E-03 -0.54958E-05 3353 0.221E-02 0.370E-02 RMM: 9 -0.353645540032E+03 0.18540E-05 -0.12284E-05 2496 0.989E-03 5595 T= 6283. E= 0.69049408E+03 F= 0.63851747E+03 E0= 0.66841029E+03 EK= 0.51977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353161136880E+03 0.48441E+00 -0.20671E-01 8844 0.235E+01 0.326E-01 RMM: 2 -0.353179137127E+03 -0.18000E-01 -0.11841E-01 5433 0.722E-01 0.117E+00 RMM: 3 -0.353169178720E+03 0.99584E-02 -0.96516E-03 5478 0.213E-01 0.259E-01 RMM: 4 -0.353169258075E+03 -0.79355E-04 -0.15835E-03 4684 0.918E-02 0.306E-01 RMM: 5 -0.353168820235E+03 0.43784E-03 -0.49522E-04 4477 0.569E-02 0.196E-01 RMM: 6 -0.353168602541E+03 0.21769E-03 -0.20128E-04 3888 0.375E-02 0.809E-02 RMM: 7 -0.353168690473E+03 -0.87932E-04 -0.12334E-04 3861 0.296E-02 0.141E-01 RMM: 8 -0.353168567756E+03 0.12272E-03 -0.62074E-05 3400 0.233E-02 0.358E-02 RMM: 9 -0.353168566763E+03 0.99368E-06 -0.13223E-05 2500 0.104E-02 5596 T= 6214. E= 0.69069200E+03 F= 0.63928626E+03 E0= 0.66919375E+03 EK= 0.51406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352774055795E+03 0.39451E+00 -0.20973E-01 8832 0.235E+01 0.322E-01 RMM: 2 -0.352794171034E+03 -0.20115E-01 -0.11742E-01 5470 0.718E-01 0.130E+00 RMM: 3 -0.352782088345E+03 0.12083E-01 -0.94417E-03 5423 0.213E-01 0.276E-01 RMM: 4 -0.352782097856E+03 -0.95105E-05 -0.17138E-03 4717 0.954E-02 0.298E-01 RMM: 5 -0.352781670525E+03 0.42733E-03 -0.52199E-04 4516 0.593E-02 0.185E-01 RMM: 6 -0.352781473368E+03 0.19716E-03 -0.17331E-04 3883 0.341E-02 0.738E-02 RMM: 7 -0.352781558992E+03 -0.85625E-04 -0.11673E-04 3853 0.285E-02 0.135E-01 RMM: 8 -0.352781448028E+03 0.11096E-03 -0.56588E-05 3367 0.223E-02 0.398E-02 RMM: 9 -0.352781443234E+03 0.47948E-05 -0.12259E-05 2497 0.998E-03 5597 T= 6225. E= 0.69145983E+03 F= 0.63996207E+03 E0= 0.66988204E+03 EK= 0.51498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352522323627E+03 0.25912E+00 -0.20806E-01 8964 0.235E+01 0.327E-01 RMM: 2 -0.352540339282E+03 -0.18016E-01 -0.11700E-01 5419 0.730E-01 0.118E+00 RMM: 3 -0.352530420160E+03 0.99191E-02 -0.99037E-03 5456 0.214E-01 0.255E-01 RMM: 4 -0.352530547095E+03 -0.12693E-03 -0.15938E-03 4694 0.929E-02 0.315E-01 RMM: 5 -0.352530065839E+03 0.48126E-03 -0.46605E-04 4379 0.540E-02 0.194E-01 RMM: 6 -0.352529849445E+03 0.21639E-03 -0.19072E-04 3888 0.367E-02 0.775E-02 RMM: 7 -0.352529935323E+03 -0.85877E-04 -0.12034E-04 3858 0.289E-02 0.137E-01 RMM: 8 -0.352529820103E+03 0.11522E-03 -0.61019E-05 3401 0.230E-02 0.405E-02 RMM: 9 -0.352529814627E+03 0.54752E-05 -0.14056E-05 2502 0.108E-02 5598 T= 6319. E= 0.69277667E+03 F= 0.64049777E+03 E0= 0.67042684E+03 EK= 0.52279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352438627961E+03 0.91192E-01 -0.20938E-01 9000 0.238E+01 0.322E-01 RMM: 2 -0.352457713016E+03 -0.19085E-01 -0.11401E-01 5384 0.737E-01 0.126E+00 RMM: 3 -0.352446686392E+03 0.11027E-01 -0.98573E-03 5417 0.218E-01 0.261E-01 RMM: 4 -0.352446840695E+03 -0.15430E-03 -0.17281E-03 4788 0.969E-02 0.322E-01 RMM: 5 -0.352446306240E+03 0.53446E-03 -0.50096E-04 4450 0.571E-02 0.178E-01 RMM: 6 -0.352446116676E+03 0.18956E-03 -0.15143E-04 3881 0.322E-02 0.667E-02 RMM: 7 -0.352446198880E+03 -0.82204E-04 -0.11281E-04 3861 0.276E-02 0.130E-01 RMM: 8 -0.352446096247E+03 0.10263E-03 -0.54804E-05 3354 0.220E-02 0.403E-02 RMM: 9 -0.352446090641E+03 0.56062E-05 -0.12853E-05 2501 0.102E-02 5599 T= 6472. E= 0.69440268E+03 F= 0.64085991E+03 E0= 0.67079495E+03 EK= 0.53543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352539505848E+03 -0.93410E-01 -0.21166E-01 8844 0.240E+01 0.332E-01 RMM: 2 -0.352557579380E+03 -0.18074E-01 -0.11513E-01 5351 0.757E-01 0.119E+00 RMM: 3 -0.352547713729E+03 0.98657E-02 -0.10549E-02 5404 0.225E-01 0.255E-01 RMM: 4 -0.352547914234E+03 -0.20050E-03 -0.16594E-03 4805 0.947E-02 0.329E-01 RMM: 5 -0.352547360055E+03 0.55418E-03 -0.45357E-04 4353 0.530E-02 0.186E-01 RMM: 6 -0.352547155303E+03 0.20475E-03 -0.17231E-04 3889 0.349E-02 0.727E-02 RMM: 7 -0.352547233741E+03 -0.78438E-04 -0.10922E-04 3856 0.274E-02 0.130E-01 RMM: 8 -0.352547128634E+03 0.10511E-03 -0.57032E-05 3368 0.220E-02 0.400E-02 RMM: 9 -0.352547122907E+03 0.57269E-05 -0.15245E-05 2504 0.113E-02 5600 T= 6634. E= 0.69591432E+03 F= 0.64103160E+03 E0= 0.67096868E+03 EK= 0.54883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352823236754E+03 -0.27611E+00 -0.20646E-01 8580 0.242E+01 0.328E-01 RMM: 2 -0.352843259314E+03 -0.20023E-01 -0.11398E-01 5179 0.765E-01 0.132E+00 RMM: 3 -0.352831431247E+03 0.11828E-01 -0.11259E-02 5455 0.232E-01 0.254E-01 RMM: 4 -0.352831624725E+03 -0.19348E-03 -0.18242E-03 4971 0.100E-01 0.329E-01 RMM: 5 -0.352831021896E+03 0.60283E-03 -0.49778E-04 4486 0.571E-02 0.162E-01 RMM: 6 -0.352830868375E+03 0.15352E-03 -0.12741E-04 3877 0.295E-02 0.641E-02 RMM: 7 -0.352830941134E+03 -0.72759E-04 -0.10239E-04 3847 0.260E-02 0.124E-01 RMM: 8 -0.352830846897E+03 0.94238E-04 -0.50999E-05 3279 0.215E-02 0.369E-02 RMM: 9 -0.352830843444E+03 0.34528E-05 -0.12396E-05 2493 0.999E-03 5601 T= 6746. E= 0.69682062E+03 F= 0.64101597E+03 E0= 0.67095212E+03 EK= 0.55805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353265565818E+03 -0.43472E+00 -0.19445E-01 8184 0.242E+01 0.318E-01 RMM: 2 -0.353281180790E+03 -0.15615E-01 -0.10869E-01 5138 0.746E-01 0.106E+00 RMM: 3 -0.353273339884E+03 0.78409E-02 -0.10682E-02 5408 0.227E-01 0.254E-01 RMM: 4 -0.353273601637E+03 -0.26175E-03 -0.15893E-03 4875 0.930E-02 0.337E-01 RMM: 5 -0.353272988109E+03 0.61353E-03 -0.45390E-04 4401 0.535E-02 0.175E-01 RMM: 6 -0.353272808408E+03 0.17970E-03 -0.16334E-04 3882 0.339E-02 0.685E-02 RMM: 7 -0.353272885569E+03 -0.77161E-04 -0.94738E-05 3801 0.257E-02 0.127E-01 RMM: 8 -0.353272782012E+03 0.10356E-03 -0.49488E-05 3242 0.210E-02 0.327E-02 RMM: 9 -0.353272780849E+03 0.11634E-05 -0.14125E-05 2492 0.108E-02 5602 T= 6760. E= 0.69676138E+03 F= 0.64083945E+03 E0= 0.67077213E+03 EK= 0.55922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353823216833E+03 -0.55043E+00 -0.18864E-01 7884 0.240E+01 0.305E-01 RMM: 2 -0.353838496064E+03 -0.15279E-01 -0.98793E-02 5131 0.712E-01 0.109E+00 RMM: 3 -0.353830059996E+03 0.84361E-02 -0.94147E-03 5424 0.210E-01 0.224E-01 RMM: 4 -0.353830422233E+03 -0.36224E-03 -0.16069E-03 4865 0.957E-02 0.340E-01 RMM: 5 -0.353829729469E+03 0.69276E-03 -0.48783E-04 4479 0.573E-02 0.139E-01 RMM: 6 -0.353829625762E+03 0.10371E-03 -0.11158E-04 3856 0.276E-02 0.663E-02 RMM: 7 -0.353829674831E+03 -0.49069E-04 -0.79367E-05 3610 0.235E-02 0.110E-01 RMM: 8 -0.353829600382E+03 0.74449E-04 -0.40881E-05 3133 0.201E-02 0.292E-02 RMM: 9 -0.353829601142E+03 -0.75953E-06 -0.10324E-05 2469 0.887E-03 5603 T= 6666. E= 0.69569352E+03 F= 0.64054768E+03 E0= 0.67047685E+03 EK= 0.55146E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354443026592E+03 -0.61343E+00 -0.18054E-01 7908 0.237E+01 0.301E-01 RMM: 2 -0.354456097301E+03 -0.13071E-01 -0.95379E-02 5009 0.705E-01 0.952E-01 RMM: 3 -0.354449751325E+03 0.63460E-02 -0.96407E-03 5407 0.214E-01 0.235E-01 RMM: 4 -0.354450090388E+03 -0.33906E-03 -0.14391E-03 4799 0.892E-02 0.339E-01 RMM: 5 -0.354449443701E+03 0.64669E-03 -0.45374E-04 4470 0.547E-02 0.158E-01 RMM: 6 -0.354449300557E+03 0.14314E-03 -0.14871E-04 3875 0.320E-02 0.661E-02 RMM: 7 -0.354449370396E+03 -0.69839E-04 -0.79075E-05 3628 0.241E-02 0.122E-01 RMM: 8 -0.354449276306E+03 0.94090E-04 -0.40999E-05 3115 0.199E-02 0.273E-02 RMM: 9 -0.354449277602E+03 -0.12962E-05 -0.10807E-05 2477 0.917E-03 5604 T= 6496. E= 0.69393231E+03 F= 0.64019465E+03 E0= 0.67012133E+03 EK= 0.53738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355078164717E+03 -0.62889E+00 -0.17983E-01 8040 0.234E+01 0.288E-01 RMM: 2 -0.355091040143E+03 -0.12875E-01 -0.10284E-01 5046 0.725E-01 0.869E-01 RMM: 3 -0.355085738881E+03 0.53013E-02 -0.10009E-02 5533 0.203E-01 0.217E-01 RMM: 4 -0.355086124358E+03 -0.38548E-03 -0.14067E-03 4822 0.906E-02 0.346E-01 RMM: 5 -0.355085408351E+03 0.71601E-03 -0.47235E-04 4473 0.564E-02 0.141E-01 RMM: 6 -0.355085303706E+03 0.10465E-03 -0.12407E-04 3865 0.291E-02 0.693E-02 RMM: 7 -0.355085349410E+03 -0.45704E-04 -0.73294E-05 3534 0.234E-02 0.109E-01 RMM: 8 -0.355085276761E+03 0.72649E-04 -0.38205E-05 3087 0.196E-02 0.265E-02 RMM: 9 -0.355085280227E+03 -0.34656E-05 -0.10658E-05 2472 0.912E-03 5605 T= 6307. E= 0.69200749E+03 F= 0.63982788E+03 E0= 0.66975573E+03 EK= 0.52180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355697386411E+03 -0.61211E+00 -0.16952E-01 8436 0.230E+01 0.298E-01 RMM: 2 -0.355710515616E+03 -0.13129E-01 -0.91550E-02 5079 0.685E-01 0.989E-01 RMM: 3 -0.355703736787E+03 0.67788E-02 -0.89454E-03 5462 0.204E-01 0.222E-01 RMM: 4 -0.355704109930E+03 -0.37314E-03 -0.14277E-03 4752 0.895E-02 0.340E-01 RMM: 5 -0.355703459786E+03 0.65014E-03 -0.46265E-04 4442 0.556E-02 0.154E-01 RMM: 6 -0.355703327188E+03 0.13260E-03 -0.14709E-04 3871 0.318E-02 0.679E-02 RMM: 7 -0.355703391314E+03 -0.64125E-04 -0.74448E-05 3554 0.235E-02 0.120E-01 RMM: 8 -0.355703302541E+03 0.88773E-04 -0.41503E-05 3145 0.202E-02 0.286E-02 RMM: 9 -0.355703303952E+03 -0.14114E-05 -0.10453E-05 2474 0.905E-03 5606 T= 6161. E= 0.69044902E+03 F= 0.63948139E+03 E0= 0.66941433E+03 EK= 0.50968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356276082119E+03 -0.57278E+00 -0.16171E-01 8628 0.228E+01 0.300E-01 RMM: 2 -0.356289421535E+03 -0.13339E-01 -0.86050E-02 5212 0.654E-01 0.104E+00 RMM: 3 -0.356281850870E+03 0.75707E-02 -0.81233E-03 5455 0.193E-01 0.215E-01 RMM: 4 -0.356282235022E+03 -0.38415E-03 -0.14575E-03 4710 0.912E-02 0.336E-01 RMM: 5 -0.356281603791E+03 0.63123E-03 -0.46298E-04 4421 0.553E-02 0.159E-01 RMM: 6 -0.356281458059E+03 0.14573E-03 -0.13763E-04 3872 0.307E-02 0.657E-02 RMM: 7 -0.356281518396E+03 -0.60336E-04 -0.79425E-05 3568 0.243E-02 0.116E-01 RMM: 8 -0.356281435759E+03 0.82636E-04 -0.40986E-05 3160 0.201E-02 0.292E-02 RMM: 9 -0.356281436733E+03 -0.97400E-06 -0.97915E-06 2476 0.866E-03 5607 T= 6099. E= 0.68962684E+03 F= 0.63917557E+03 E0= 0.66911853E+03 EK= 0.50451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356795732179E+03 -0.51430E+00 -0.16568E-01 8520 0.227E+01 0.291E-01 RMM: 2 -0.356808126937E+03 -0.12395E-01 -0.94414E-02 5125 0.681E-01 0.909E-01 RMM: 3 -0.356802406879E+03 0.57201E-02 -0.91650E-03 5559 0.198E-01 0.209E-01 RMM: 4 -0.356802829503E+03 -0.42262E-03 -0.13286E-03 4713 0.868E-02 0.351E-01 RMM: 5 -0.356802111879E+03 0.71762E-03 -0.44947E-04 4363 0.545E-02 0.146E-01 RMM: 6 -0.356801995285E+03 0.11659E-03 -0.13866E-04 3867 0.310E-02 0.658E-02 RMM: 7 -0.356802055454E+03 -0.60168E-04 -0.69429E-05 3509 0.228E-02 0.116E-01 RMM: 8 -0.356801971136E+03 0.84318E-04 -0.38060E-05 3088 0.194E-02 0.275E-02 RMM: 9 -0.356801973059E+03 -0.19224E-05 -0.11027E-05 2471 0.926E-03 5608 T= 6136. E= 0.68968434E+03 F= 0.63892584E+03 E0= 0.66888294E+03 EK= 0.50759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357236614341E+03 -0.43464E+00 -0.17376E-01 8340 0.228E+01 0.302E-01 RMM: 2 -0.357251478088E+03 -0.14864E-01 -0.97351E-02 5176 0.697E-01 0.108E+00 RMM: 3 -0.357243447149E+03 0.80309E-02 -0.95043E-03 5549 0.205E-01 0.227E-01 RMM: 4 -0.357243732088E+03 -0.28494E-03 -0.15104E-03 4750 0.919E-02 0.329E-01 RMM: 5 -0.357243137775E+03 0.59431E-03 -0.43424E-04 4275 0.531E-02 0.160E-01 RMM: 6 -0.357242982954E+03 0.15482E-03 -0.12999E-04 3868 0.304E-02 0.598E-02 RMM: 7 -0.357243038675E+03 -0.55721E-04 -0.81401E-05 3568 0.241E-02 0.111E-01 RMM: 8 -0.357242964339E+03 0.74335E-04 -0.41553E-05 3148 0.202E-02 0.299E-02 RMM: 9 -0.357242963800E+03 0.53928E-06 -0.10098E-05 2472 0.888E-03 5609 T= 6259. E= 0.69053002E+03 F= 0.63875189E+03 E0= 0.66872735E+03 EK= 0.51778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357569177789E+03 -0.32621E+00 -0.17573E-01 8976 0.230E+01 0.293E-01 RMM: 2 -0.357580973208E+03 -0.11795E-01 -0.89998E-02 5313 0.652E-01 0.903E-01 RMM: 3 -0.357575161984E+03 0.58112E-02 -0.75338E-03 5532 0.185E-01 0.207E-01 RMM: 4 -0.357575663146E+03 -0.50116E-03 -0.12913E-03 4662 0.843E-02 0.360E-01 RMM: 5 -0.357574882774E+03 0.78037E-03 -0.42643E-04 4164 0.524E-02 0.139E-01 RMM: 6 -0.357574777329E+03 0.10544E-03 -0.13097E-04 3858 0.307E-02 0.632E-02 RMM: 7 -0.357574831045E+03 -0.53716E-04 -0.64927E-05 3461 0.216E-02 0.112E-01 RMM: 8 -0.357574753329E+03 0.77716E-04 -0.37700E-05 3059 0.192E-02 0.284E-02 RMM: 9 -0.357574754525E+03 -0.11963E-05 -0.12191E-05 2474 0.979E-03 5610 T= 6427. E= 0.69185422E+03 F= 0.63868178E+03 E0= 0.66867886E+03 EK= 0.53172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357757631201E+03 -0.18288E+00 -0.17932E-01 8928 0.233E+01 0.292E-01 RMM: 2 -0.357771098704E+03 -0.13468E-01 -0.90613E-02 5342 0.650E-01 0.102E+00 RMM: 3 -0.357763662343E+03 0.74364E-02 -0.75838E-03 5534 0.187E-01 0.220E-01 RMM: 4 -0.357764035967E+03 -0.37362E-03 -0.14263E-03 4677 0.892E-02 0.339E-01 RMM: 5 -0.357763376426E+03 0.65954E-03 -0.42669E-04 4184 0.525E-02 0.148E-01 RMM: 6 -0.357763246533E+03 0.12989E-03 -0.11656E-04 3827 0.289E-02 0.584E-02 RMM: 7 -0.357763292902E+03 -0.46369E-04 -0.76535E-05 3563 0.231E-02 0.106E-01 RMM: 8 -0.357763225666E+03 0.67235E-04 -0.38376E-05 3076 0.194E-02 0.275E-02 RMM: 9 -0.357763226878E+03 -0.12122E-05 -0.10565E-05 2471 0.899E-03 5611 T= 6581. E= 0.69319568E+03 F= 0.63874917E+03 E0= 0.66877107E+03 EK= 0.54447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357772689198E+03 -0.94635E-02 -0.18321E-01 8820 0.235E+01 0.283E-01 RMM: 2 -0.357784425337E+03 -0.11736E-01 -0.92906E-02 5353 0.657E-01 0.870E-01 RMM: 3 -0.357778854443E+03 0.55709E-02 -0.73975E-03 5665 0.181E-01 0.192E-01 RMM: 4 -0.357779311764E+03 -0.45732E-03 -0.11716E-03 4666 0.808E-02 0.348E-01 RMM: 5 -0.357778593646E+03 0.71812E-03 -0.40139E-04 4161 0.513E-02 0.135E-01 RMM: 6 -0.357778496578E+03 0.97068E-04 -0.12493E-04 3847 0.300E-02 0.652E-02 RMM: 7 -0.357778549689E+03 -0.53111E-04 -0.67449E-05 3487 0.220E-02 0.112E-01 RMM: 8 -0.357778469739E+03 0.79950E-04 -0.38014E-05 3075 0.192E-02 0.280E-02 RMM: 9 -0.357778470201E+03 -0.46152E-06 -0.11614E-05 2470 0.949E-03 5612 T= 6662. E= 0.69409365E+03 F= 0.63898465E+03 E0= 0.66903370E+03 EK= 0.55109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357602558093E+03 0.17591E+00 -0.18548E-01 8724 0.235E+01 0.267E-01 RMM: 2 -0.357615827083E+03 -0.13269E-01 -0.98284E-02 5295 0.671E-01 0.918E-01 RMM: 3 -0.357609385015E+03 0.64421E-02 -0.77688E-03 5611 0.185E-01 0.200E-01 RMM: 4 -0.357609690823E+03 -0.30581E-03 -0.12482E-03 4716 0.842E-02 0.315E-01 RMM: 5 -0.357609099124E+03 0.59170E-03 -0.40291E-04 4152 0.518E-02 0.128E-01 RMM: 6 -0.357609016399E+03 0.82725E-04 -0.11606E-04 3841 0.289E-02 0.719E-02 RMM: 7 -0.357609055092E+03 -0.38693E-04 -0.80923E-05 3613 0.240E-02 0.108E-01 RMM: 8 -0.357608984742E+03 0.70350E-04 -0.37966E-05 3099 0.192E-02 0.288E-02 RMM: 9 -0.357608984543E+03 0.19913E-06 -0.10005E-05 2469 0.869E-03 5613 T= 6635. E= 0.69429069E+03 F= 0.63940111E+03 E0= 0.66947939E+03 EK= 0.54890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357267527678E+03 0.34146E+00 -0.18188E-01 8664 0.233E+01 0.264E-01 RMM: 2 -0.357279794109E+03 -0.12266E-01 -0.92899E-02 5412 0.648E-01 0.893E-01 RMM: 3 -0.357273847783E+03 0.59463E-02 -0.69679E-03 5641 0.176E-01 0.187E-01 RMM: 4 -0.357274136805E+03 -0.28902E-03 -0.10324E-03 4659 0.758E-02 0.305E-01 RMM: 5 -0.357273604559E+03 0.53225E-03 -0.35378E-04 4088 0.490E-02 0.136E-01 RMM: 6 -0.357273521897E+03 0.82662E-04 -0.14549E-04 3872 0.325E-02 0.822E-02 RMM: 7 -0.357273572019E+03 -0.50121E-04 -0.80843E-05 3641 0.244E-02 0.119E-01 RMM: 8 -0.357273480476E+03 0.91543E-04 -0.43466E-05 3171 0.203E-02 0.292E-02 RMM: 9 -0.357273480134E+03 0.34187E-06 -0.11254E-05 2473 0.936E-03 5614 T= 6513. E= 0.69386546E+03 F= 0.63998136E+03 E0= 0.67008962E+03 EK= 0.53884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356816177419E+03 0.45730E+00 -0.17739E-01 8520 0.230E+01 0.247E-01 RMM: 2 -0.356829668204E+03 -0.13491E-01 -0.92959E-02 5375 0.648E-01 0.948E-01 RMM: 3 -0.356822838257E+03 0.68299E-02 -0.70265E-03 5457 0.179E-01 0.190E-01 RMM: 4 -0.356822992442E+03 -0.15419E-03 -0.10840E-03 4649 0.778E-02 0.266E-01 RMM: 5 -0.356822566067E+03 0.42637E-03 -0.37261E-04 4120 0.509E-02 0.117E-01 RMM: 6 -0.356822534013E+03 0.32054E-04 -0.12883E-04 3876 0.302E-02 0.989E-02 RMM: 7 -0.356822538006E+03 -0.39930E-05 -0.76119E-05 3592 0.242E-02 5615 T= 6348. E= 0.69318772E+03 F= 0.64067579E+03 E0= 0.67081367E+03 EK= 0.52512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356324066122E+03 0.49847E+00 -0.17238E-01 8316 0.226E+01 0.271E-01 RMM: 2 -0.356336417721E+03 -0.12352E-01 -0.87415E-02 5396 0.643E-01 0.934E-01 RMM: 3 -0.356330256357E+03 0.61614E-02 -0.69986E-03 5537 0.175E-01 0.222E-01 RMM: 4 -0.356330326081E+03 -0.69725E-04 -0.10940E-03 4643 0.783E-02 0.274E-01 RMM: 5 -0.356329933440E+03 0.39264E-03 -0.41122E-04 4332 0.536E-02 0.156E-01 RMM: 6 -0.356329844690E+03 0.88750E-04 -0.18125E-04 3887 0.353E-02 0.108E-01 RMM: 7 -0.356329866450E+03 -0.21760E-04 -0.11638E-04 3875 0.301E-02 0.122E-01 RMM: 8 -0.356329775658E+03 0.90792E-04 -0.52463E-05 3317 0.215E-02 0.348E-02 RMM: 9 -0.356329780008E+03 -0.43492E-05 -0.14471E-05 2504 0.106E-02 5616 T= 6203. E= 0.69272974E+03 F= 0.64141079E+03 E0= 0.67157561E+03 EK= 0.51319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355866931732E+03 0.46284E+00 -0.16391E-01 8028 0.224E+01 0.238E-01 RMM: 2 -0.355880007124E+03 -0.13075E-01 -0.80884E-02 5210 0.629E-01 0.993E-01 RMM: 3 -0.355872882947E+03 0.71242E-02 -0.75160E-03 5470 0.184E-01 0.170E-01 RMM: 4 -0.355873018183E+03 -0.13524E-03 -0.93139E-04 4641 0.697E-02 0.245E-01 RMM: 5 -0.355872656233E+03 0.36195E-03 -0.29787E-04 4028 0.461E-02 0.109E-01 RMM: 6 -0.355872613226E+03 0.43007E-04 -0.11932E-04 3862 0.298E-02 0.773E-02 RMM: 7 -0.355872646907E+03 -0.33681E-04 -0.56421E-05 3353 0.210E-02 0.106E-01 RMM: 8 -0.355872577148E+03 0.69759E-04 -0.31928E-05 2967 0.182E-02 0.254E-02 RMM: 9 -0.355872575207E+03 0.19414E-05 -0.65842E-06 2445 0.711E-03 5617 T= 6136. E= 0.69287060E+03 F= 0.64210804E+03 E0= 0.67229619E+03 EK= 0.50763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355506359227E+03 0.36622E+00 -0.15895E-01 7968 0.223E+01 0.259E-01 RMM: 2 -0.355518040363E+03 -0.11681E-01 -0.76479E-02 5088 0.630E-01 0.948E-01 RMM: 3 -0.355511962905E+03 0.60775E-02 -0.76345E-03 5465 0.182E-01 0.202E-01 RMM: 4 -0.355512098113E+03 -0.13521E-03 -0.11017E-03 4653 0.785E-02 0.271E-01 RMM: 5 -0.355511721338E+03 0.37677E-03 -0.35136E-04 4134 0.497E-02 0.156E-01 RMM: 6 -0.355511590943E+03 0.13040E-03 -0.13997E-04 3876 0.318E-02 0.739E-02 RMM: 7 -0.355511618242E+03 -0.27299E-04 -0.70784E-05 3534 0.234E-02 0.997E-02 RMM: 8 -0.355511558039E+03 0.60202E-04 -0.32896E-05 2997 0.183E-02 0.286E-02 RMM: 9 -0.355511559088E+03 -0.10487E-05 -0.98556E-06 2461 0.865E-03 5618 T= 6174. E= 0.69378138E+03 F= 0.64270532E+03 E0= 0.67291074E+03 EK= 0.51076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355271301572E+03 0.24026E+00 -0.16087E-01 7872 0.224E+01 0.237E-01 RMM: 2 -0.355280229571E+03 -0.89280E-02 -0.66869E-02 5134 0.595E-01 0.774E-01 RMM: 3 -0.355276085592E+03 0.41440E-02 -0.62594E-03 5447 0.165E-01 0.167E-01 RMM: 4 -0.355276427803E+03 -0.34221E-03 -0.88963E-04 4627 0.716E-02 0.291E-01 RMM: 5 -0.355275893466E+03 0.53434E-03 -0.29098E-04 3936 0.438E-02 0.996E-02 RMM: 6 -0.355275850931E+03 0.42535E-04 -0.86922E-05 3633 0.258E-02 0.641E-02 RMM: 7 -0.355275879135E+03 -0.28204E-04 -0.43141E-05 3117 0.188E-02 0.923E-02 RMM: 8 -0.355275827979E+03 0.51156E-04 -0.25801E-05 2757 0.166E-02 0.217E-02 RMM: 9 -0.355275829251E+03 -0.12720E-05 -0.70501E-06 2444 0.738E-03 5619 T= 6311. E= 0.69537860E+03 F= 0.64317197E+03 E0= 0.67338800E+03 EK= 0.52207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355154492256E+03 0.12134E+00 -0.16488E-01 8244 0.227E+01 0.266E-01 RMM: 2 -0.355165293004E+03 -0.10801E-01 -0.63932E-02 5283 0.588E-01 0.100E+00 RMM: 3 -0.355158765158E+03 0.65278E-02 -0.59141E-03 5416 0.168E-01 0.196E-01 RMM: 4 -0.355159085183E+03 -0.32003E-03 -0.11371E-03 4621 0.798E-02 0.303E-01 RMM: 5 -0.355158585668E+03 0.49952E-03 -0.31628E-04 3909 0.457E-02 0.146E-01 RMM: 6 -0.355158453703E+03 0.13196E-03 -0.10059E-04 3750 0.283E-02 0.486E-02 RMM: 7 -0.355158496273E+03 -0.42570E-04 -0.57319E-05 3334 0.208E-02 0.952E-02 RMM: 8 -0.355158441862E+03 0.54411E-04 -0.30149E-05 2861 0.179E-02 0.306E-02 RMM: 9 -0.355158438462E+03 0.34001E-05 -0.82931E-06 2454 0.802E-03 5620 T= 6504. E= 0.69731889E+03 F= 0.64351404E+03 E0= 0.67373326E+03 EK= 0.53805E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355117429863E+03 0.41012E-01 -0.17450E-01 8376 0.231E+01 0.262E-01 RMM: 2 -0.355127008469E+03 -0.95786E-02 -0.78304E-02 5262 0.637E-01 0.765E-01 RMM: 3 -0.355123033044E+03 0.39754E-02 -0.68834E-03 5495 0.173E-01 0.197E-01 RMM: 4 -0.355123497848E+03 -0.46480E-03 -0.10302E-03 4626 0.761E-02 0.338E-01 RMM: 5 -0.355122772939E+03 0.72491E-03 -0.33612E-04 3937 0.462E-02 0.110E-01 RMM: 6 -0.355122702581E+03 0.70358E-04 -0.76517E-05 3538 0.245E-02 0.529E-02 RMM: 7 -0.355122738844E+03 -0.36263E-04 -0.54227E-05 3288 0.201E-02 0.943E-02 RMM: 8 -0.355122686656E+03 0.52188E-04 -0.33981E-05 2918 0.184E-02 0.289E-02 RMM: 9 -0.355122686589E+03 0.66353E-07 -0.11370E-05 2468 0.946E-03 5621 T= 6684. E= 0.69906137E+03 F= 0.64376838E+03 E0= 0.67398469E+03 EK= 0.55293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355117110157E+03 0.55765E-02 -0.17779E-01 8484 0.234E+01 0.277E-01 RMM: 2 -0.355129778512E+03 -0.12668E-01 -0.88111E-02 5348 0.670E-01 0.967E-01 RMM: 3 -0.355123382238E+03 0.63963E-02 -0.76756E-03 5567 0.182E-01 0.200E-01 RMM: 4 -0.355123774025E+03 -0.39179E-03 -0.12502E-03 4639 0.836E-02 0.331E-01 RMM: 5 -0.355123121063E+03 0.65296E-03 -0.34953E-04 3936 0.472E-02 0.126E-01 RMM: 6 -0.355123024879E+03 0.96184E-04 -0.79390E-05 3573 0.248E-02 0.476E-02 RMM: 7 -0.355123065387E+03 -0.40507E-04 -0.56075E-05 3304 0.203E-02 0.951E-02 RMM: 8 -0.355123010886E+03 0.54501E-04 -0.32479E-05 2868 0.179E-02 0.260E-02 RMM: 9 -0.355123012298E+03 -0.14116E-05 -0.10749E-05 2468 0.907E-03 5622 T= 6777. E= 0.70004547E+03 F= 0.64398173E+03 E0= 0.67419075E+03 EK= 0.56064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355118576868E+03 0.44340E-02 -0.17687E-01 8592 0.235E+01 0.276E-01 RMM: 2 -0.355131515192E+03 -0.12938E-01 -0.99101E-02 5259 0.699E-01 0.900E-01 RMM: 3 -0.355125798650E+03 0.57165E-02 -0.85936E-03 5593 0.193E-01 0.212E-01 RMM: 4 -0.355126079835E+03 -0.28118E-03 -0.11788E-03 4658 0.803E-02 0.313E-01 RMM: 5 -0.355125506420E+03 0.57341E-03 -0.33137E-04 3962 0.458E-02 0.135E-01 RMM: 6 -0.355125395062E+03 0.11136E-03 -0.92217E-05 3677 0.271E-02 0.518E-02 RMM: 7 -0.355125441791E+03 -0.46729E-04 -0.63665E-05 3426 0.215E-02 0.102E-01 RMM: 8 -0.355125379755E+03 0.62036E-04 -0.38185E-05 2994 0.190E-02 0.313E-02 RMM: 9 -0.355125378043E+03 0.17119E-05 -0.12848E-05 2473 0.101E-02 5623 T= 6741. E= 0.69995851E+03 F= 0.64419001E+03 E0= 0.67439087E+03 EK= 0.55768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355115930075E+03 0.94497E-02 -0.17834E-01 8352 0.234E+01 0.260E-01 RMM: 2 -0.355129774720E+03 -0.13845E-01 -0.10144E-01 5204 0.703E-01 0.933E-01 RMM: 3 -0.355123528116E+03 0.62466E-02 -0.92289E-03 5666 0.195E-01 0.187E-01 RMM: 4 -0.355123817714E+03 -0.28960E-03 -0.11903E-03 4655 0.825E-02 0.304E-01 RMM: 5 -0.355123245353E+03 0.57236E-03 -0.34185E-04 3991 0.471E-02 0.107E-01 RMM: 6 -0.355123191497E+03 0.53856E-04 -0.86718E-05 3626 0.259E-02 0.640E-02 RMM: 7 -0.355123233013E+03 -0.41516E-04 -0.66511E-05 3487 0.218E-02 0.104E-01 RMM: 8 -0.355123167666E+03 0.65347E-04 -0.38647E-05 3044 0.196E-02 0.292E-02 RMM: 9 -0.355123166471E+03 0.11950E-05 -0.10537E-05 2468 0.898E-03 5624 T= 6590. E= 0.69891706E+03 F= 0.64440173E+03 E0= 0.67459597E+03 EK= 0.54515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355130985791E+03 -0.78181E-02 -0.17718E-01 8676 0.232E+01 0.263E-01 RMM: 2 -0.355146113480E+03 -0.15128E-01 -0.99395E-02 5198 0.700E-01 0.105E+00 RMM: 3 -0.355138302840E+03 0.78106E-02 -0.91580E-03 5596 0.201E-01 0.181E-01 RMM: 4 -0.355138536277E+03 -0.23344E-03 -0.11232E-03 4675 0.782E-02 0.281E-01 RMM: 5 -0.355138104840E+03 0.43144E-03 -0.31293E-04 3977 0.458E-02 0.138E-01 RMM: 6 -0.355137994435E+03 0.11040E-03 -0.11508E-04 3826 0.296E-02 0.617E-02 RMM: 7 -0.355138050409E+03 -0.55974E-04 -0.74265E-05 3534 0.232E-02 0.111E-01 RMM: 8 -0.355137973463E+03 0.76946E-04 -0.39996E-05 3085 0.201E-02 0.282E-02 RMM: 9 -0.355137972892E+03 0.57166E-06 -0.10810E-05 2466 0.915E-03 5625 T= 6384. E= 0.69740711E+03 F= 0.64459661E+03 E0= 0.67478780E+03 EK= 0.52810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355200630195E+03 -0.62657E-01 -0.17720E-01 8460 0.230E+01 0.231E-01 RMM: 2 -0.355213583923E+03 -0.12954E-01 -0.10501E-01 5124 0.701E-01 0.797E-01 RMM: 3 -0.355208584255E+03 0.49997E-02 -0.88215E-03 5651 0.196E-01 0.181E-01 RMM: 4 -0.355208756618E+03 -0.17236E-03 -0.10410E-03 4708 0.767E-02 0.266E-01 RMM: 5 -0.355208330413E+03 0.42620E-03 -0.31482E-04 4076 0.458E-02 0.108E-01 RMM: 6 -0.355208287814E+03 0.42599E-04 -0.10184E-04 3787 0.277E-02 0.744E-02 RMM: 7 -0.355208325093E+03 -0.37279E-04 -0.60569E-05 3393 0.213E-02 0.108E-01 RMM: 8 -0.355208254794E+03 0.70298E-04 -0.35724E-05 3014 0.190E-02 0.295E-02 RMM: 9 -0.355208253477E+03 0.13174E-05 -0.97158E-06 2466 0.865E-03 5626 T= 6201. E= 0.69603385E+03 F= 0.64473646E+03 E0= 0.67492836E+03 EK= 0.51297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355364551742E+03 -0.15630E+00 -0.17727E-01 8592 0.228E+01 0.261E-01 RMM: 2 -0.355380553716E+03 -0.16002E-01 -0.10045E-01 5185 0.693E-01 0.110E+00 RMM: 3 -0.355371756749E+03 0.87970E-02 -0.85036E-03 5587 0.200E-01 0.172E-01 RMM: 4 -0.355371963522E+03 -0.20677E-03 -0.10445E-03 4663 0.747E-02 0.271E-01 RMM: 5 -0.355371576865E+03 0.38666E-03 -0.29787E-04 4017 0.458E-02 0.139E-01 RMM: 6 -0.355371465414E+03 0.11145E-03 -0.10951E-04 3780 0.289E-02 0.604E-02 RMM: 7 -0.355371514504E+03 -0.49091E-04 -0.72457E-05 3515 0.230E-02 0.106E-01 RMM: 8 -0.355371445067E+03 0.69437E-04 -0.38273E-05 3067 0.197E-02 0.256E-02 RMM: 9 -0.355371445761E+03 -0.69381E-06 -0.10612E-05 2462 0.919E-03 5627 T= 6104. E= 0.69527843E+03 F= 0.64478303E+03 E0= 0.67497867E+03 EK= 0.50495E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355642684916E+03 -0.27124E+00 -0.17523E-01 8568 0.229E+01 0.228E-01 RMM: 2 -0.355654176293E+03 -0.11491E-01 -0.99349E-02 5239 0.671E-01 0.696E-01 RMM: 3 -0.355650003136E+03 0.41732E-02 -0.73921E-03 5526 0.182E-01 0.192E-01 RMM: 4 -0.355650196644E+03 -0.19351E-03 -0.97359E-04 4675 0.740E-02 0.272E-01 RMM: 5 -0.355649724451E+03 0.47219E-03 -0.30297E-04 4021 0.450E-02 0.946E-02 RMM: 6 -0.355649695790E+03 0.28662E-04 -0.85222E-05 3627 0.257E-02 0.711E-02 RMM: 7 -0.355649720820E+03 -0.25030E-04 -0.51823E-05 3244 0.199E-02 0.968E-02 RMM: 8 -0.355649663681E+03 0.57139E-04 -0.33682E-05 2942 0.185E-02 0.247E-02 RMM: 9 -0.355649664752E+03 -0.10716E-05 -0.92833E-06 2458 0.847E-03 5628 T= 6124. E= 0.69537418E+03 F= 0.64471262E+03 E0= 0.67491320E+03 EK= 0.50662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356038483245E+03 -0.38882E+00 -0.17357E-01 8616 0.231E+01 0.264E-01 RMM: 2 -0.356053537283E+03 -0.15054E-01 -0.96467E-02 5206 0.685E-01 0.106E+00 RMM: 3 -0.356045335650E+03 0.82016E-02 -0.80912E-03 5561 0.194E-01 0.171E-01 RMM: 4 -0.356045660891E+03 -0.32524E-03 -0.10933E-03 4679 0.779E-02 0.300E-01 RMM: 5 -0.356045140885E+03 0.52001E-03 -0.30640E-04 3991 0.455E-02 0.126E-01 RMM: 6 -0.356045047447E+03 0.93438E-04 -0.89081E-05 3637 0.264E-02 0.532E-02 RMM: 7 -0.356045087319E+03 -0.39871E-04 -0.61020E-05 3381 0.212E-02 0.969E-02 RMM: 8 -0.356045031806E+03 0.55513E-04 -0.33150E-05 2960 0.183E-02 0.290E-02 RMM: 9 -0.356045030957E+03 0.84927E-06 -0.10288E-05 2459 0.896E-03 5629 T= 6256. E= 0.69627184E+03 F= 0.64452143E+03 E0= 0.67472660E+03 EK= 0.51750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356530244864E+03 -0.48521E+00 -0.18020E-01 8460 0.235E+01 0.245E-01 RMM: 2 -0.356542364130E+03 -0.12119E-01 -0.10073E-01 5235 0.690E-01 0.777E-01 RMM: 3 -0.356537623877E+03 0.47403E-02 -0.80010E-03 5575 0.189E-01 0.203E-01 RMM: 4 -0.356537925028E+03 -0.30115E-03 -0.10636E-03 4720 0.776E-02 0.309E-01 RMM: 5 -0.356537339791E+03 0.58524E-03 -0.31172E-04 3996 0.445E-02 0.111E-01 RMM: 6 -0.356537272821E+03 0.66970E-04 -0.84790E-05 3596 0.256E-02 0.532E-02 RMM: 7 -0.356537306624E+03 -0.33803E-04 -0.48315E-05 3179 0.190E-02 0.940E-02 RMM: 8 -0.356537253719E+03 0.52905E-04 -0.32083E-05 2827 0.178E-02 0.278E-02 RMM: 9 -0.356537254478E+03 -0.75897E-06 -0.11514E-05 2469 0.955E-03 5630 T= 6457. E= 0.69764401E+03 F= 0.64422856E+03 E0= 0.67443641E+03 EK= 0.53415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357082042203E+03 -0.54479E+00 -0.18541E-01 8484 0.240E+01 0.266E-01 RMM: 2 -0.357096023524E+03 -0.13981E-01 -0.98663E-02 5229 0.695E-01 0.976E-01 RMM: 3 -0.357088996487E+03 0.70270E-02 -0.82777E-03 5601 0.195E-01 0.176E-01 RMM: 4 -0.357089394394E+03 -0.39791E-03 -0.11366E-03 4699 0.796E-02 0.322E-01 RMM: 5 -0.357088774609E+03 0.61979E-03 -0.32800E-04 4050 0.469E-02 0.118E-01 RMM: 6 -0.357088689433E+03 0.85176E-04 -0.70962E-05 3488 0.233E-02 0.460E-02 RMM: 7 -0.357088711867E+03 -0.22435E-04 -0.51695E-05 3227 0.199E-02 0.807E-02 RMM: 8 -0.357088673062E+03 0.38805E-04 -0.30512E-05 2869 0.173E-02 0.234E-02 RMM: 9 -0.357088678067E+03 -0.50045E-05 -0.11602E-05 2463 0.956E-03 5631 T= 6657. E= 0.69893981E+03 F= 0.64387149E+03 E0= 0.67407949E+03 EK= 0.55068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357649267636E+03 -0.56059E+00 -0.19125E-01 8352 0.243E+01 0.252E-01 RMM: 2 -0.357660537067E+03 -0.11269E-01 -0.96503E-02 5257 0.691E-01 0.752E-01 RMM: 3 -0.357656210751E+03 0.43263E-02 -0.78817E-03 5750 0.183E-01 0.187E-01 RMM: 4 -0.357656532107E+03 -0.32136E-03 -0.97501E-04 4673 0.751E-02 0.314E-01 RMM: 5 -0.357655908135E+03 0.62397E-03 -0.30940E-04 3956 0.446E-02 0.102E-01 RMM: 6 -0.357655853542E+03 0.54593E-04 -0.72852E-05 3487 0.240E-02 0.522E-02 RMM: 7 -0.357655881724E+03 -0.28182E-04 -0.44220E-05 3056 0.185E-02 0.905E-02 RMM: 8 -0.357655832642E+03 0.49082E-04 -0.31998E-05 2774 0.175E-02 0.272E-02 RMM: 9 -0.357655835056E+03 -0.24140E-05 -0.12440E-05 2470 0.984E-03 5632 T= 6776. E= 0.69955289E+03 F= 0.64349451E+03 E0= 0.67370050E+03 EK= 0.56058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358200969967E+03 -0.54514E+00 -0.18894E-01 8184 0.243E+01 0.246E-01 RMM: 2 -0.358212432994E+03 -0.11463E-01 -0.94520E-02 5248 0.677E-01 0.780E-01 RMM: 3 -0.358207722832E+03 0.47102E-02 -0.75621E-03 5689 0.180E-01 0.169E-01 RMM: 4 -0.358208064725E+03 -0.34189E-03 -0.93554E-04 4667 0.733E-02 0.308E-01 RMM: 5 -0.358207467904E+03 0.59682E-03 -0.30273E-04 3964 0.448E-02 0.962E-02 RMM: 6 -0.358207422904E+03 0.45000E-04 -0.63018E-05 3399 0.222E-02 0.572E-02 RMM: 7 -0.358207447418E+03 -0.24514E-04 -0.58169E-05 3424 0.212E-02 0.876E-02 RMM: 8 -0.358207399655E+03 0.47763E-04 -0.30015E-05 2856 0.170E-02 0.241E-02 RMM: 9 -0.358207403414E+03 -0.37596E-05 -0.11568E-05 2465 0.944E-03 5633 T= 6765. E= 0.69909403E+03 F= 0.64313052E+03 E0= 0.67333398E+03 EK= 0.55964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358730183503E+03 -0.52278E+00 -0.18077E-01 8148 0.241E+01 0.247E-01 RMM: 2 -0.358742191286E+03 -0.12008E-01 -0.86864E-02 5288 0.653E-01 0.895E-01 RMM: 3 -0.358736267114E+03 0.59242E-02 -0.69625E-03 5685 0.174E-01 0.173E-01 RMM: 4 -0.358736495919E+03 -0.22881E-03 -0.91474E-04 4639 0.726E-02 0.276E-01 RMM: 5 -0.358736015367E+03 0.48055E-03 -0.25495E-04 3888 0.401E-02 0.109E-01 RMM: 6 -0.358735957571E+03 0.57796E-04 -0.84451E-05 3623 0.260E-02 0.612E-02 RMM: 7 -0.358735997583E+03 -0.40011E-04 -0.61207E-05 3424 0.214E-02 0.103E-01 RMM: 8 -0.358735932046E+03 0.65537E-04 -0.35418E-05 2950 0.184E-02 0.284E-02 RMM: 9 -0.358735932015E+03 0.30992E-07 -0.11077E-05 2464 0.920E-03 5634 T= 6627. E= 0.69761082E+03 F= 0.64278872E+03 E0= 0.67299177E+03 EK= 0.54822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359256090597E+03 -0.52016E+00 -0.17019E-01 8040 0.237E+01 0.231E-01 RMM: 2 -0.359266788924E+03 -0.10698E-01 -0.80989E-02 5261 0.632E-01 0.824E-01 RMM: 3 -0.359261911378E+03 0.48775E-02 -0.67489E-03 5621 0.171E-01 0.179E-01 RMM: 4 -0.359262056510E+03 -0.14513E-03 -0.82088E-04 4643 0.679E-02 0.258E-01 RMM: 5 -0.359261667063E+03 0.38945E-03 -0.23809E-04 3896 0.395E-02 0.115E-01 RMM: 6 -0.359261604209E+03 0.62853E-04 -0.90873E-05 3653 0.267E-02 0.664E-02 RMM: 7 -0.359261649510E+03 -0.45300E-04 -0.73323E-05 3639 0.232E-02 0.108E-01 RMM: 8 -0.359261575879E+03 0.73631E-04 -0.36755E-05 3034 0.188E-02 0.263E-02 RMM: 9 -0.359261575786E+03 0.93203E-07 -0.10277E-05 2463 0.886E-03 5635 T= 6420. E= 0.69556117E+03 F= 0.64245024E+03 E0= 0.67265759E+03 EK= 0.53111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359816248265E+03 -0.55467E+00 -0.15905E-01 7812 0.232E+01 0.246E-01 RMM: 2 -0.359829559473E+03 -0.13311E-01 -0.73655E-02 5291 0.619E-01 0.109E+00 RMM: 3 -0.359821336229E+03 0.82232E-02 -0.65979E-03 5542 0.176E-01 0.180E-01 RMM: 4 -0.359821373806E+03 -0.37578E-04 -0.86482E-04 4632 0.683E-02 0.218E-01 RMM: 5 -0.359821100977E+03 0.27283E-03 -0.22603E-04 3887 0.388E-02 0.119E-01 RMM: 6 -0.359821035309E+03 0.65668E-04 -0.98844E-05 3752 0.279E-02 0.702E-02 RMM: 7 -0.359821082101E+03 -0.46792E-04 -0.70593E-05 3528 0.228E-02 0.112E-01 RMM: 8 -0.359821005234E+03 0.76867E-04 -0.39193E-05 3086 0.196E-02 0.298E-02 RMM: 9 -0.359821003081E+03 0.21528E-05 -0.92279E-06 2457 0.833E-03 5636 T= 6224. E= 0.69356800E+03 F= 0.64207881E+03 E0= 0.67229710E+03 EK= 0.51489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360447251588E+03 -0.62625E+00 -0.15010E-01 7716 0.228E+01 0.222E-01 RMM: 2 -0.360456326772E+03 -0.90752E-02 -0.64837E-02 5284 0.581E-01 0.813E-01 RMM: 3 -0.360451838892E+03 0.44879E-02 -0.58421E-03 5540 0.163E-01 0.178E-01 RMM: 4 -0.360451900445E+03 -0.61554E-04 -0.72279E-04 4617 0.627E-02 0.224E-01 RMM: 5 -0.360451629147E+03 0.27130E-03 -0.21360E-04 3890 0.379E-02 0.121E-01 RMM: 6 -0.360451561391E+03 0.67756E-04 -0.10108E-04 3716 0.280E-02 0.692E-02 RMM: 7 -0.360451609719E+03 -0.48328E-04 -0.67622E-05 3486 0.225E-02 0.111E-01 RMM: 8 -0.360451532649E+03 0.77070E-04 -0.35649E-05 3022 0.189E-02 0.260E-02 RMM: 9 -0.360451532173E+03 0.47572E-06 -0.96986E-06 2459 0.857E-03 5637 T= 6107. E= 0.69215385E+03 F= 0.64163649E+03 E0= 0.67187314E+03 EK= 0.50517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361171838504E+03 -0.72031E+00 -0.14527E-01 7872 0.227E+01 0.237E-01 RMM: 2 -0.361183707086E+03 -0.11869E-01 -0.61815E-02 5210 0.585E-01 0.108E+00 RMM: 3 -0.361176066331E+03 0.76408E-02 -0.60972E-03 5469 0.171E-01 0.169E-01 RMM: 4 -0.361176127052E+03 -0.60721E-04 -0.84583E-04 4622 0.670E-02 0.216E-01 RMM: 5 -0.361175875192E+03 0.25186E-03 -0.22249E-04 3882 0.387E-02 0.116E-01 RMM: 6 -0.361175806828E+03 0.68364E-04 -0.84296E-05 3607 0.259E-02 0.613E-02 RMM: 7 -0.361175842831E+03 -0.36003E-04 -0.53362E-05 3296 0.203E-02 0.973E-02 RMM: 8 -0.361175784262E+03 0.58569E-04 -0.30543E-05 2902 0.180E-02 0.243E-02 RMM: 9 -0.361175783639E+03 0.62380E-06 -0.73538E-06 2445 0.737E-03 5638 T= 6104. E= 0.69159659E+03 F= 0.64109924E+03 E0= 0.67136107E+03 EK= 0.50497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361986691078E+03 -0.81091E+00 -0.14414E-01 7656 0.227E+01 0.220E-01 RMM: 2 -0.361994087036E+03 -0.73960E-02 -0.55399E-02 5226 0.550E-01 0.736E-01 RMM: 3 -0.361990530904E+03 0.35561E-02 -0.53297E-03 5428 0.157E-01 0.172E-01 RMM: 4 -0.361990678487E+03 -0.14758E-03 -0.72161E-04 4615 0.628E-02 0.241E-01 RMM: 5 -0.361990354489E+03 0.32400E-03 -0.21151E-04 3881 0.369E-02 0.118E-01 RMM: 6 -0.361990280066E+03 0.74423E-04 -0.87831E-05 3604 0.264E-02 0.547E-02 RMM: 7 -0.361990317726E+03 -0.37660E-04 -0.48216E-05 3207 0.195E-02 0.956E-02 RMM: 8 -0.361990262427E+03 0.55299E-04 -0.25445E-05 2713 0.165E-02 0.235E-02 RMM: 9 -0.361990262431E+03 -0.46093E-08 -0.78686E-06 2444 0.767E-03 5639 T= 6216. E= 0.69189265E+03 F= 0.64046892E+03 E0= 0.67076137E+03 EK= 0.51424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362859991350E+03 -0.86973E+00 -0.14999E-01 7944 0.229E+01 0.234E-01 RMM: 2 -0.362869831007E+03 -0.98397E-02 -0.57566E-02 5195 0.571E-01 0.960E-01 RMM: 3 -0.362863868519E+03 0.59625E-02 -0.55593E-03 5414 0.162E-01 0.147E-01 RMM: 4 -0.362864129666E+03 -0.26115E-03 -0.85866E-04 4611 0.685E-02 0.265E-01 RMM: 5 -0.362863731632E+03 0.39803E-03 -0.24074E-04 3883 0.397E-02 0.110E-01 RMM: 6 -0.362863661418E+03 0.70213E-04 -0.69407E-05 3461 0.235E-02 0.483E-02 RMM: 7 -0.362863687886E+03 -0.26467E-04 -0.41728E-05 3053 0.185E-02 0.824E-02 RMM: 8 -0.362863646458E+03 0.41427E-04 -0.24121E-05 2662 0.160E-02 0.197E-02 RMM: 9 -0.362863648354E+03 -0.18955E-05 -0.68856E-06 2438 0.720E-03 5640 T= 6405. E= 0.69276244E+03 F= 0.63977557E+03 E0= 0.67010145E+03 EK= 0.52987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363734978713E+03 -0.87133E+00 -0.15473E-01 7860 0.233E+01 0.234E-01 RMM: 2 -0.363742829445E+03 -0.78507E-02 -0.58949E-02 5176 0.577E-01 0.769E-01 RMM: 3 -0.363739073479E+03 0.37560E-02 -0.57460E-03 5421 0.162E-01 0.179E-01 RMM: 4 -0.363739261548E+03 -0.18807E-03 -0.82866E-04 4608 0.672E-02 0.267E-01 RMM: 5 -0.363738864086E+03 0.39746E-03 -0.26620E-04 3918 0.427E-02 0.113E-01 RMM: 6 -0.363738786203E+03 0.77883E-04 -0.64855E-05 3407 0.233E-02 0.422E-02 RMM: 7 -0.363738820519E+03 -0.34316E-04 -0.42984E-05 3055 0.187E-02 0.870E-02 RMM: 8 -0.363738775185E+03 0.45334E-04 -0.23560E-05 2602 0.158E-02 0.246E-02 RMM: 9 -0.363738775081E+03 0.10391E-06 -0.85797E-06 2450 0.817E-03 5641 T= 6603. E= 0.69369950E+03 F= 0.63907588E+03 E0= 0.66943540E+03 EK= 0.54624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364539720054E+03 -0.80094E+00 -0.15983E-01 7764 0.235E+01 0.240E-01 RMM: 2 -0.364549504355E+03 -0.97843E-02 -0.66400E-02 5130 0.612E-01 0.893E-01 RMM: 3 -0.364544394843E+03 0.51095E-02 -0.65235E-03 5467 0.169E-01 0.141E-01 RMM: 4 -0.364544719478E+03 -0.32463E-03 -0.89811E-04 4610 0.706E-02 0.288E-01 RMM: 5 -0.364544244028E+03 0.47545E-03 -0.27623E-04 3924 0.436E-02 0.109E-01 RMM: 6 -0.364544172800E+03 0.71228E-04 -0.63580E-05 3375 0.225E-02 0.450E-02 RMM: 7 -0.364544199342E+03 -0.26542E-04 -0.44215E-05 3094 0.191E-02 0.819E-02 RMM: 8 -0.364544158973E+03 0.40369E-04 -0.24195E-05 2660 0.158E-02 0.213E-02 RMM: 9 -0.364544161235E+03 -0.22619E-05 -0.80451E-06 2445 0.785E-03 5642 T= 6730. E= 0.69411979E+03 F= 0.63844179E+03 E0= 0.66883187E+03 EK= 0.55678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365205213460E+03 -0.66105E+00 -0.16063E-01 7680 0.236E+01 0.239E-01 RMM: 2 -0.365213976795E+03 -0.87633E-02 -0.64164E-02 5198 0.605E-01 0.824E-01 RMM: 3 -0.365209762928E+03 0.42139E-02 -0.62265E-03 5488 0.165E-01 0.182E-01 RMM: 4 -0.365209903367E+03 -0.14044E-03 -0.86349E-04 4604 0.692E-02 0.262E-01 RMM: 5 -0.365209522301E+03 0.38107E-03 -0.27342E-04 3918 0.438E-02 0.113E-01 RMM: 6 -0.365209443913E+03 0.78388E-04 -0.65889E-05 3423 0.236E-02 0.426E-02 RMM: 7 -0.365209477757E+03 -0.33844E-04 -0.47387E-05 3143 0.194E-02 0.869E-02 RMM: 8 -0.365209432371E+03 0.45386E-04 -0.24901E-05 2639 0.161E-02 0.239E-02 RMM: 9 -0.365209432331E+03 0.40551E-07 -0.85843E-06 2450 0.804E-03 5643 T= 6730. E= 0.69362301E+03 F= 0.63794480E+03 E0= 0.66836039E+03 EK= 0.55678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365681386194E+03 -0.47195E+00 -0.16085E-01 7644 0.235E+01 0.236E-01 RMM: 2 -0.365691289059E+03 -0.99029E-02 -0.65207E-02 5212 0.607E-01 0.919E-01 RMM: 3 -0.365685973605E+03 0.53155E-02 -0.62316E-03 5506 0.166E-01 0.151E-01 RMM: 4 -0.365686181572E+03 -0.20797E-03 -0.83460E-04 4615 0.678E-02 0.259E-01 RMM: 5 -0.365685805936E+03 0.37564E-03 -0.24713E-04 3886 0.416E-02 0.113E-01 RMM: 6 -0.365685732197E+03 0.73740E-04 -0.69195E-05 3452 0.238E-02 0.496E-02 RMM: 7 -0.365685767156E+03 -0.34959E-04 -0.54666E-05 3307 0.206E-02 0.913E-02 RMM: 8 -0.365685717359E+03 0.49797E-04 -0.27386E-05 2814 0.168E-02 0.246E-02 RMM: 9 -0.365685716657E+03 0.70196E-06 -0.78998E-06 2444 0.762E-03 5644 T= 6598. E= 0.69222058E+03 F= 0.63763508E+03 E0= 0.66806994E+03 EK= 0.54585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365950331815E+03 -0.26461E+00 -0.15559E-01 7716 0.232E+01 0.228E-01 RMM: 2 -0.365959647764E+03 -0.93159E-02 -0.64995E-02 5215 0.603E-01 0.857E-01 RMM: 3 -0.365954985548E+03 0.46622E-02 -0.62331E-03 5541 0.165E-01 0.168E-01 RMM: 4 -0.365955049749E+03 -0.64201E-04 -0.74521E-04 4611 0.635E-02 0.228E-01 RMM: 5 -0.365954784212E+03 0.26554E-03 -0.23745E-04 3887 0.414E-02 0.121E-01 RMM: 6 -0.365954699133E+03 0.85079E-04 -0.77051E-05 3522 0.254E-02 0.492E-02 RMM: 7 -0.365954744169E+03 -0.45036E-04 -0.55855E-05 3296 0.208E-02 0.979E-02 RMM: 8 -0.365954685890E+03 0.58279E-04 -0.28197E-05 2812 0.173E-02 0.252E-02 RMM: 9 -0.365954684761E+03 0.11298E-05 -0.82431E-06 2446 0.778E-03 5645 T= 6384. E= 0.69034761E+03 F= 0.63753189E+03 E0= 0.66797997E+03 EK= 0.52816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366021194939E+03 -0.66509E-01 -0.14870E-01 7764 0.228E+01 0.222E-01 RMM: 2 -0.366031461612E+03 -0.10267E-01 -0.65174E-02 5208 0.597E-01 0.923E-01 RMM: 3 -0.366025889807E+03 0.55718E-02 -0.61106E-03 5542 0.163E-01 0.156E-01 RMM: 4 -0.366025946160E+03 -0.56353E-04 -0.72912E-04 4625 0.631E-02 0.215E-01 RMM: 5 -0.366025700267E+03 0.24589E-03 -0.21565E-04 3880 0.396E-02 0.111E-01 RMM: 6 -0.366025636641E+03 0.63626E-04 -0.72879E-05 3490 0.245E-02 0.572E-02 RMM: 7 -0.366025673392E+03 -0.36751E-04 -0.57199E-05 3352 0.212E-02 0.956E-02 RMM: 8 -0.366025618738E+03 0.54654E-04 -0.28510E-05 2863 0.173E-02 0.268E-02 RMM: 9 -0.366025617113E+03 0.16252E-05 -0.79059E-06 2442 0.757E-03 5646 T= 6167. E= 0.68864096E+03 F= 0.63762605E+03 E0= 0.66808219E+03 EK= 0.51015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365915846648E+03 0.10977E+00 -0.14360E-01 7764 0.224E+01 0.216E-01 RMM: 2 -0.365925582555E+03 -0.97359E-02 -0.67782E-02 5182 0.604E-01 0.852E-01 RMM: 3 -0.365920789798E+03 0.47928E-02 -0.64710E-03 5517 0.169E-01 0.148E-01 RMM: 4 -0.365920846199E+03 -0.56401E-04 -0.67422E-04 4626 0.594E-02 0.206E-01 RMM: 5 -0.365920621745E+03 0.22445E-03 -0.20094E-04 3885 0.385E-02 0.109E-01 RMM: 6 -0.365920559035E+03 0.62710E-04 -0.69092E-05 3453 0.238E-02 0.556E-02 RMM: 7 -0.365920599181E+03 -0.40146E-04 -0.57150E-05 3357 0.212E-02 0.963E-02 RMM: 8 -0.365920541522E+03 0.57659E-04 -0.28008E-05 2822 0.172E-02 0.232E-02 RMM: 9 -0.365920541621E+03 -0.98469E-07 -0.84806E-06 2447 0.788E-03 5647 T= 6017. E= 0.68767395E+03 F= 0.63789472E+03 E0= 0.66835529E+03 EK= 0.49779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365657758811E+03 0.26278E+00 -0.14316E-01 7800 0.223E+01 0.200E-01 RMM: 2 -0.365666906958E+03 -0.91481E-02 -0.70082E-02 5188 0.605E-01 0.753E-01 RMM: 3 -0.365663082994E+03 0.38240E-02 -0.63867E-03 5657 0.158E-01 0.145E-01 RMM: 4 -0.365663116672E+03 -0.33677E-04 -0.62707E-04 4614 0.597E-02 0.204E-01 RMM: 5 -0.365662874937E+03 0.24173E-03 -0.18943E-04 3883 0.371E-02 0.907E-02 RMM: 6 -0.365662841032E+03 0.33905E-04 -0.63032E-05 3396 0.229E-02 0.603E-02 RMM: 7 -0.365662865438E+03 -0.24406E-04 -0.48842E-05 3182 0.199E-02 0.882E-02 RMM: 8 -0.365662818073E+03 0.47365E-04 -0.28100E-05 2813 0.170E-02 0.214E-02 RMM: 9 -0.365662819268E+03 -0.11943E-05 -0.78484E-06 2442 0.759E-03 5648 T= 5982. E= 0.68779834E+03 F= 0.63831296E+03 E0= 0.66877593E+03 EK= 0.49485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365264838192E+03 0.39798E+00 -0.14188E-01 7728 0.224E+01 0.208E-01 RMM: 2 -0.365274319317E+03 -0.94811E-02 -0.69240E-02 5199 0.602E-01 0.803E-01 RMM: 3 -0.365269913631E+03 0.44057E-02 -0.63238E-03 5584 0.166E-01 0.137E-01 RMM: 4 -0.365270021255E+03 -0.10762E-03 -0.66456E-04 4639 0.596E-02 0.214E-01 RMM: 5 -0.365269748231E+03 0.27302E-03 -0.17940E-04 3881 0.350E-02 0.876E-02 RMM: 6 -0.365269711603E+03 0.36629E-04 -0.52813E-05 3265 0.211E-02 0.523E-02 RMM: 7 -0.365269739549E+03 -0.27946E-04 -0.45878E-05 3116 0.193E-02 0.858E-02 RMM: 8 -0.365269694226E+03 0.45323E-04 -0.25063E-05 2670 0.161E-02 0.206E-02 RMM: 9 -0.365269694724E+03 -0.49783E-06 -0.77392E-06 2440 0.753E-03 5649 T= 6073. E= 0.68909821E+03 F= 0.63886174E+03 E0= 0.66932650E+03 EK= 0.50236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364744778817E+03 0.52492E+00 -0.14700E-01 7992 0.227E+01 0.200E-01 RMM: 2 -0.364753762878E+03 -0.89841E-02 -0.74458E-02 5186 0.625E-01 0.684E-01 RMM: 3 -0.364750519741E+03 0.32431E-02 -0.67074E-03 5744 0.163E-01 0.143E-01 RMM: 4 -0.364750601084E+03 -0.81343E-04 -0.64713E-04 4622 0.604E-02 0.219E-01 RMM: 5 -0.364750318108E+03 0.28298E-03 -0.18595E-04 3887 0.360E-02 0.880E-02 RMM: 6 -0.364750277141E+03 0.40967E-04 -0.48767E-05 3206 0.206E-02 0.465E-02 RMM: 7 -0.364750307257E+03 -0.30116E-04 -0.43935E-05 3055 0.184E-02 0.869E-02 RMM: 8 -0.364750261594E+03 0.45663E-04 -0.28244E-05 2660 0.166E-02 0.211E-02 RMM: 9 -0.364750262316E+03 -0.72203E-06 -0.82574E-06 2438 0.780E-03 5650 T= 6268. E= 0.69138092E+03 F= 0.63953052E+03 E0= 0.66999736E+03 EK= 0.51850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364105466728E+03 0.64479E+00 -0.15247E-01 8004 0.231E+01 0.221E-01 RMM: 2 -0.364117811229E+03 -0.12345E-01 -0.84027E-02 5130 0.676E-01 0.940E-01 RMM: 3 -0.364111938331E+03 0.58729E-02 -0.80506E-03 5533 0.189E-01 0.166E-01 RMM: 4 -0.364112002429E+03 -0.64098E-04 -0.82519E-04 4650 0.665E-02 0.218E-01 RMM: 5 -0.364111739860E+03 0.26257E-03 -0.18422E-04 3886 0.346E-02 0.106E-01 RMM: 6 -0.364111672657E+03 0.67203E-04 -0.53288E-05 3270 0.214E-02 0.414E-02 RMM: 7 -0.364111700917E+03 -0.28260E-04 -0.43266E-05 3052 0.185E-02 0.821E-02 RMM: 8 -0.364111659675E+03 0.41242E-04 -0.30999E-05 2700 0.170E-02 0.233E-02 RMM: 9 -0.364111659649E+03 0.26388E-07 -0.94978E-06 2446 0.868E-03 5651 T= 6511. E= 0.69417428E+03 F= 0.64031151E+03 E0= 0.67078129E+03 EK= 0.53863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363361604781E+03 0.75005E+00 -0.15895E-01 8112 0.235E+01 0.219E-01 RMM: 2 -0.363374336033E+03 -0.12731E-01 -0.92129E-02 5150 0.702E-01 0.895E-01 RMM: 3 -0.363368879102E+03 0.54569E-02 -0.85321E-03 5590 0.192E-01 0.181E-01 RMM: 4 -0.363368859470E+03 0.19631E-04 -0.85947E-04 4669 0.684E-02 0.204E-01 RMM: 5 -0.363368633550E+03 0.22592E-03 -0.18514E-04 3888 0.351E-02 0.106E-01 RMM: 6 -0.363368566703E+03 0.66847E-04 -0.52443E-05 3273 0.216E-02 0.401E-02 RMM: 7 -0.363368596524E+03 -0.29821E-04 -0.37073E-05 2910 0.171E-02 0.840E-02 RMM: 8 -0.363368554899E+03 0.41625E-04 -0.32337E-05 2625 0.171E-02 0.266E-02 RMM: 9 -0.363368553699E+03 0.12001E-05 -0.10368E-05 2449 0.919E-03 5652 T= 6722. E= 0.69679637E+03 F= 0.64119033E+03 E0= 0.67166372E+03 EK= 0.55606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362546623480E+03 0.82193E+00 -0.16367E-01 8280 0.238E+01 0.213E-01 RMM: 2 -0.362559638465E+03 -0.13015E-01 -0.98440E-02 5053 0.721E-01 0.850E-01 RMM: 3 -0.362554370619E+03 0.52678E-02 -0.92404E-03 5553 0.205E-01 0.150E-01 RMM: 4 -0.362554474803E+03 -0.10418E-03 -0.84879E-04 4698 0.675E-02 0.218E-01 RMM: 5 -0.362554184876E+03 0.28993E-03 -0.19029E-04 3897 0.359E-02 0.844E-02 RMM: 6 -0.362554146819E+03 0.38058E-04 -0.38000E-05 2981 0.185E-02 0.437E-02 RMM: 7 -0.362554169807E+03 -0.22988E-04 -0.42036E-05 3037 0.181E-02 0.788E-02 RMM: 8 -0.362554132428E+03 0.37379E-04 -0.31391E-05 2663 0.168E-02 0.229E-02 RMM: 9 -0.362554133484E+03 -0.10564E-05 -0.10720E-05 2448 0.935E-03 5653 T= 6822. E= 0.69857048E+03 F= 0.64213486E+03 E0= 0.67261213E+03 EK= 0.56436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361715591630E+03 0.83854E+00 -0.16980E-01 8460 0.238E+01 0.212E-01 RMM: 2 -0.361730055657E+03 -0.14464E-01 -0.10324E-01 5016 0.737E-01 0.921E-01 RMM: 3 -0.361723803402E+03 0.62523E-02 -0.96044E-03 5578 0.209E-01 0.175E-01 RMM: 4 -0.361723762683E+03 0.40719E-04 -0.85251E-04 4718 0.684E-02 0.187E-01 RMM: 5 -0.361723564546E+03 0.19814E-03 -0.17150E-04 3889 0.351E-02 0.934E-02 RMM: 6 -0.361723515499E+03 0.49047E-04 -0.43939E-05 3110 0.200E-02 0.431E-02 RMM: 7 -0.361723544880E+03 -0.29380E-04 -0.40973E-05 2959 0.182E-02 0.842E-02 RMM: 8 -0.361723503679E+03 0.41200E-04 -0.32095E-05 2625 0.171E-02 0.278E-02 RMM: 9 -0.361723501659E+03 0.20201E-05 -0.10731E-05 2448 0.934E-03 5654 T= 6775. E= 0.69913642E+03 F= 0.64309144E+03 E0= 0.67357189E+03 EK= 0.56045E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360944138468E+03 0.77937E+00 -0.17151E-01 8496 0.237E+01 0.200E-01 RMM: 2 -0.360957724044E+03 -0.13586E-01 -0.10310E-01 5114 0.726E-01 0.835E-01 RMM: 3 -0.360952141076E+03 0.55830E-02 -0.91143E-03 5586 0.209E-01 0.149E-01 RMM: 4 -0.360952184740E+03 -0.43665E-04 -0.75711E-04 4733 0.640E-02 0.189E-01 RMM: 5 -0.360951969722E+03 0.21502E-03 -0.15651E-04 3888 0.334E-02 0.859E-02 RMM: 6 -0.360951933309E+03 0.36414E-04 -0.43587E-05 3071 0.198E-02 0.494E-02 RMM: 7 -0.360951961063E+03 -0.27754E-04 -0.47246E-05 3143 0.192E-02 0.858E-02 RMM: 8 -0.360951916623E+03 0.44439E-04 -0.34074E-05 2801 0.178E-02 0.255E-02 RMM: 9 -0.360951916044E+03 0.57919E-06 -0.10987E-05 2448 0.934E-03 5655 T= 6606. E= 0.69863477E+03 F= 0.64398618E+03 E0= 0.67446855E+03 EK= 0.54649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360313706338E+03 0.63821E+00 -0.16667E-01 8508 0.233E+01 0.215E-01 RMM: 2 -0.360329701707E+03 -0.15995E-01 -0.10175E-01 5086 0.727E-01 0.105E+00 RMM: 3 -0.360321599282E+03 0.81024E-02 -0.92550E-03 5637 0.210E-01 0.170E-01 RMM: 4 -0.360321536750E+03 0.62533E-04 -0.79030E-04 4723 0.659E-02 0.171E-01 RMM: 5 -0.360321366785E+03 0.16996E-03 -0.15749E-04 3884 0.343E-02 0.878E-02 RMM: 6 -0.360321329802E+03 0.36983E-04 -0.47004E-05 3129 0.206E-02 0.521E-02 RMM: 7 -0.360321358126E+03 -0.28323E-04 -0.47973E-05 3105 0.196E-02 0.865E-02 RMM: 8 -0.360321312422E+03 0.45704E-04 -0.33281E-05 2785 0.178E-02 0.269E-02 RMM: 9 -0.360321311042E+03 0.13801E-05 -0.10713E-05 2450 0.912E-03 5656 T= 6390. E= 0.69760131E+03 F= 0.64473804E+03 E0= 0.67522045E+03 EK= 0.52863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359897217542E+03 0.42409E+00 -0.16200E-01 8424 0.230E+01 0.205E-01 RMM: 2 -0.359910639305E+03 -0.13422E-01 -0.96989E-02 5156 0.703E-01 0.882E-01 RMM: 3 -0.359904622190E+03 0.60171E-02 -0.84291E-03 5680 0.200E-01 0.167E-01 RMM: 4 -0.359904569554E+03 0.52636E-04 -0.70808E-04 4704 0.618E-02 0.165E-01 RMM: 5 -0.359904414916E+03 0.15464E-03 -0.14095E-04 3877 0.317E-02 0.944E-02 RMM: 6 -0.359904368584E+03 0.46332E-04 -0.50962E-05 3186 0.214E-02 0.518E-02 RMM: 7 -0.359904400654E+03 -0.32070E-04 -0.51511E-05 3215 0.201E-02 0.904E-02 RMM: 8 -0.359904349893E+03 0.50762E-04 -0.37208E-05 2873 0.183E-02 0.271E-02 RMM: 9 -0.359904348554E+03 0.13386E-05 -0.11671E-05 2449 0.958E-03 5657 T= 6213. E= 0.69666954E+03 F= 0.64527454E+03 E0= 0.67575503E+03 EK= 0.51395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359749573464E+03 0.15478E+00 -0.15562E-01 8232 0.228E+01 0.221E-01 RMM: 2 -0.359764751586E+03 -0.15178E-01 -0.91953E-02 5175 0.689E-01 0.107E+00 RMM: 3 -0.359756535241E+03 0.82163E-02 -0.81208E-03 5725 0.192E-01 0.182E-01 RMM: 4 -0.359756410729E+03 0.12451E-03 -0.76071E-04 4667 0.649E-02 0.162E-01 RMM: 5 -0.359756262244E+03 0.14848E-03 -0.14858E-04 3884 0.327E-02 0.938E-02 RMM: 6 -0.359756216974E+03 0.45270E-04 -0.48169E-05 3167 0.211E-02 0.511E-02 RMM: 7 -0.359756244274E+03 -0.27300E-04 -0.48538E-05 3125 0.195E-02 0.851E-02 RMM: 8 -0.359756199331E+03 0.44942E-04 -0.35434E-05 2821 0.181E-02 0.279E-02 RMM: 9 -0.359756197275E+03 0.20569E-05 -0.10807E-05 2448 0.910E-03 5658 T= 6137. E= 0.69630929E+03 F= 0.64554007E+03 E0= 0.67601654E+03 EK= 0.50769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359902091262E+03 -0.14589E+00 -0.15209E-01 8052 0.228E+01 0.214E-01 RMM: 2 -0.359914120449E+03 -0.12029E-01 -0.86987E-02 5277 0.665E-01 0.864E-01 RMM: 3 -0.359908566071E+03 0.55544E-02 -0.72792E-03 5728 0.182E-01 0.176E-01 RMM: 4 -0.359908475894E+03 0.90177E-04 -0.68180E-04 4644 0.604E-02 0.165E-01 RMM: 5 -0.359908327663E+03 0.14823E-03 -0.13797E-04 3872 0.298E-02 0.102E-01 RMM: 6 -0.359908267407E+03 0.60256E-04 -0.50901E-05 3205 0.217E-02 0.454E-02 RMM: 7 -0.359908294572E+03 -0.27165E-04 -0.40546E-05 2948 0.181E-02 0.834E-02 RMM: 8 -0.359908251823E+03 0.42749E-04 -0.37608E-05 2733 0.177E-02 0.297E-02 RMM: 9 -0.359908248857E+03 0.29665E-05 -0.12025E-05 2451 0.984E-03 5659 T= 6190. E= 0.69670777E+03 F= 0.64550247E+03 E0= 0.67597284E+03 EK= 0.51205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360362665302E+03 -0.45441E+00 -0.15418E-01 8040 0.230E+01 0.222E-01 RMM: 2 -0.360375338987E+03 -0.12674E-01 -0.81871E-02 5361 0.649E-01 0.962E-01 RMM: 3 -0.360368704071E+03 0.66349E-02 -0.65736E-03 5736 0.169E-01 0.188E-01 RMM: 4 -0.360368578895E+03 0.12518E-03 -0.73621E-04 4624 0.641E-02 0.172E-01 RMM: 5 -0.360368418634E+03 0.16026E-03 -0.15035E-04 3881 0.315E-02 0.101E-01 RMM: 6 -0.360368359240E+03 0.59394E-04 -0.43463E-05 3115 0.204E-02 0.436E-02 RMM: 7 -0.360368374526E+03 -0.15286E-04 -0.34890E-05 2815 0.168E-02 5660 T= 6356. E= 0.69773678E+03 F= 0.64515311E+03 E0= 0.67561532E+03 EK= 0.52584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361111455479E+03 -0.74310E+00 -0.15749E-01 8004 0.234E+01 0.212E-01 RMM: 2 -0.361121323289E+03 -0.98678E-02 -0.75475E-02 5439 0.619E-01 0.767E-01 RMM: 3 -0.361116958716E+03 0.43646E-02 -0.57899E-03 5644 0.163E-01 0.169E-01 RMM: 4 -0.361116945774E+03 0.12942E-04 -0.62740E-04 4628 0.571E-02 0.184E-01 RMM: 5 -0.361116717063E+03 0.22871E-03 -0.13326E-04 3867 0.287E-02 0.683E-02 RMM: 6 -0.361116698033E+03 0.19030E-04 -0.27317E-05 2735 0.161E-02 5661 T= 6582. E= 0.69896431E+03 F= 0.64451154E+03 E0= 0.67496342E+03 EK= 0.54453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362100903270E+03 -0.98419E+00 -0.16145E-01 8100 0.237E+01 0.299E-01 RMM: 2 -0.362121384611E+03 -0.20481E-01 -0.84714E-02 5309 0.674E-01 0.149E+00 RMM: 3 -0.362106817080E+03 0.14568E-01 -0.10258E-02 5405 0.237E-01 0.230E-01 RMM: 4 -0.362106608769E+03 0.20831E-03 -0.11530E-03 4635 0.715E-02 0.173E-01 RMM: 5 -0.362106466601E+03 0.14217E-03 -0.18283E-04 3889 0.330E-02 0.122E-01 RMM: 6 -0.362106377302E+03 0.89299E-04 -0.64603E-05 3402 0.233E-02 0.520E-02 RMM: 7 -0.362106387136E+03 -0.98341E-05 -0.36820E-05 2868 0.174E-02 5662 T= 6783. E= 0.69973633E+03 F= 0.64362483E+03 E0= 0.67406484E+03 EK= 0.56111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363262321470E+03 -0.11559E+01 -0.15832E-01 8052 0.240E+01 0.297E-01 RMM: 2 -0.363282595893E+03 -0.20274E-01 -0.77357E-02 5388 0.649E-01 0.151E+00 RMM: 3 -0.363267734702E+03 0.14861E-01 -0.91810E-03 5402 0.229E-01 0.341E-01 RMM: 4 -0.363267026984E+03 0.70772E-03 -0.13703E-03 4679 0.827E-02 0.146E-01 RMM: 5 -0.363267067767E+03 -0.40783E-04 -0.27699E-04 3924 0.435E-02 0.171E-01 RMM: 6 -0.363266875631E+03 0.19214E-03 -0.10004E-04 3708 0.294E-02 0.374E-02 RMM: 7 -0.363266872933E+03 0.26988E-05 -0.17509E-05 2534 0.121E-02 5663 T= 6872. E= 0.69941662E+03 F= 0.64256434E+03 E0= 0.67299154E+03 EK= 0.56852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364512351687E+03 -0.12455E+01 -0.16189E-01 8148 0.241E+01 0.280E-01 RMM: 2 -0.364532342891E+03 -0.19991E-01 -0.83992E-02 5234 0.665E-01 0.145E+00 RMM: 3 -0.364518468048E+03 0.13875E-01 -0.95679E-03 5381 0.227E-01 0.274E-01 RMM: 4 -0.364518056584E+03 0.41146E-03 -0.11353E-03 4648 0.721E-02 0.146E-01 RMM: 5 -0.364518016249E+03 0.40335E-04 -0.23082E-04 3896 0.383E-02 0.144E-01 RMM: 6 -0.364517879881E+03 0.13637E-03 -0.10014E-04 3790 0.285E-02 0.462E-02 RMM: 7 -0.364517895552E+03 -0.15670E-04 -0.37801E-05 2920 0.177E-02 5664 T= 6806. E= 0.69771896E+03 F= 0.64141135E+03 E0= 0.67182567E+03 EK= 0.56308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365782204850E+03 -0.12643E+01 -0.15900E-01 8052 0.239E+01 0.266E-01 RMM: 2 -0.365798318979E+03 -0.16114E-01 -0.71773E-02 5306 0.620E-01 0.129E+00 RMM: 3 -0.365787189419E+03 0.11130E-01 -0.83604E-03 5403 0.214E-01 0.249E-01 RMM: 4 -0.365786851049E+03 0.33837E-03 -0.98748E-04 4640 0.678E-02 0.134E-01 RMM: 5 -0.365786858476E+03 -0.74268E-05 -0.19866E-04 3880 0.358E-02 5665 T= 6608. E= 0.69490217E+03 F= 0.64023939E+03 E0= 0.67064116E+03 EK= 0.54663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367017350176E+03 -0.12305E+01 -0.15504E-01 8268 0.235E+01 0.216E-01 RMM: 2 -0.367031145892E+03 -0.13796E-01 -0.71887E-02 5332 0.582E-01 0.109E+00 RMM: 3 -0.367022873652E+03 0.82722E-02 -0.62165E-03 5384 0.176E-01 0.212E-01 RMM: 4 -0.367022665708E+03 0.20794E-03 -0.78786E-04 4649 0.606E-02 0.145E-01 RMM: 5 -0.367022558700E+03 0.10701E-03 -0.15644E-04 3881 0.307E-02 0.108E-01 RMM: 6 -0.367022503893E+03 0.54807E-04 -0.79312E-05 3586 0.250E-02 0.680E-02 RMM: 7 -0.367022570872E+03 -0.66979E-04 -0.99776E-05 3880 0.241E-02 0.125E-01 RMM: 8 -0.367022477189E+03 0.93683E-04 -0.58693E-05 3407 0.216E-02 0.404E-02 RMM: 9 -0.367022468964E+03 0.82244E-05 -0.15042E-05 2486 0.114E-02 5666 T= 6351. E= 0.69163896E+03 F= 0.63910025E+03 E0= 0.66949162E+03 EK= 0.52539E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368192731310E+03 -0.11703E+01 -0.14772E-01 7800 0.232E+01 0.223E-01 RMM: 2 -0.368203672339E+03 -0.10941E-01 -0.63488E-02 5179 0.573E-01 0.987E-01 RMM: 3 -0.368197173983E+03 0.64984E-02 -0.65306E-03 5386 0.183E-01 0.211E-01 RMM: 4 -0.368197036343E+03 0.13764E-03 -0.79964E-04 4634 0.620E-02 0.158E-01 RMM: 5 -0.368196938575E+03 0.97767E-04 -0.14980E-04 3875 0.309E-02 0.115E-01 RMM: 6 -0.368196853858E+03 0.84718E-04 -0.47600E-05 3188 0.211E-02 0.306E-02 RMM: 7 -0.368196860770E+03 -0.69122E-05 -0.20540E-05 2514 0.132E-02 5667 T= 6124. E= 0.68868624E+03 F= 0.63802160E+03 E0= 0.66840341E+03 EK= 0.50665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369294943776E+03 -0.10981E+01 -0.14507E-01 7944 0.229E+01 0.195E-01 RMM: 2 -0.369304769711E+03 -0.98259E-02 -0.56930E-02 5339 0.537E-01 0.919E-01 RMM: 3 -0.369299165639E+03 0.56041E-02 -0.49492E-03 5520 0.151E-01 0.189E-01 RMM: 4 -0.369298966828E+03 0.19881E-03 -0.60611E-04 4619 0.558E-02 0.114E-01 RMM: 5 -0.369298942150E+03 0.24678E-04 -0.11867E-04 3879 0.267E-02 0.115E-01 RMM: 6 -0.369298857256E+03 0.84894E-04 -0.51607E-05 3261 0.214E-02 0.440E-02 RMM: 7 -0.369298892120E+03 -0.34864E-04 -0.52266E-05 3293 0.192E-02 0.902E-02 RMM: 8 -0.369298845220E+03 0.46900E-04 -0.37439E-05 2905 0.182E-02 0.354E-02 RMM: 9 -0.369298838931E+03 0.62888E-05 -0.10352E-05 2451 0.918E-03 5668 T= 5996. E= 0.68661396E+03 F= 0.63701383E+03 E0= 0.66738586E+03 EK= 0.49600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370320382023E+03 -0.10215E+01 -0.14523E-01 7788 0.229E+01 0.158E-01 RMM: 2 -0.370327228604E+03 -0.68466E-02 -0.57744E-02 5136 0.535E-01 0.571E-01 RMM: 3 -0.370324813441E+03 0.24152E-02 -0.49338E-03 5542 0.140E-01 0.115E-01 RMM: 4 -0.370324900108E+03 -0.86667E-04 -0.45097E-04 4374 0.490E-02 0.182E-01 RMM: 5 -0.370324690318E+03 0.20979E-03 -0.12212E-04 3817 0.298E-02 0.644E-02 RMM: 6 -0.370324668771E+03 0.21548E-04 -0.28534E-05 2816 0.159E-02 0.376E-02 RMM: 7 -0.370324682313E+03 -0.13542E-04 -0.26903E-05 2559 0.151E-02 5669 T= 5998. E= 0.68569621E+03 F= 0.63607946E+03 E0= 0.66644057E+03 EK= 0.49617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371264288029E+03 -0.93962E+00 -0.14292E-01 7704 0.231E+01 0.172E-01 RMM: 2 -0.371270815709E+03 -0.65277E-02 -0.51198E-02 5314 0.520E-01 0.636E-01 RMM: 3 -0.371268091685E+03 0.27240E-02 -0.43429E-03 5637 0.133E-01 0.151E-01 RMM: 4 -0.371268039264E+03 0.52421E-04 -0.46327E-04 4497 0.503E-02 0.152E-01 RMM: 5 -0.371267909518E+03 0.12975E-03 -0.10683E-04 3735 0.265E-02 0.807E-02 RMM: 6 -0.371267873985E+03 0.35532E-04 -0.30877E-05 2906 0.170E-02 0.371E-02 RMM: 7 -0.371267891850E+03 -0.17864E-04 -0.26821E-05 2584 0.144E-02 5670 T= 6127. E= 0.68591062E+03 F= 0.63522377E+03 E0= 0.66557200E+03 EK= 0.50687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372114023476E+03 -0.84615E+00 -0.14585E-01 7980 0.234E+01 0.171E-01 RMM: 2 -0.372120947577E+03 -0.69241E-02 -0.53803E-02 5275 0.526E-01 0.642E-01 RMM: 3 -0.372118070748E+03 0.28768E-02 -0.45743E-03 5532 0.135E-01 0.130E-01 RMM: 4 -0.372118116179E+03 -0.45431E-04 -0.47329E-04 4446 0.507E-02 0.176E-01 RMM: 5 -0.372117927525E+03 0.18865E-03 -0.11890E-04 3797 0.288E-02 0.714E-02 RMM: 6 -0.372117897056E+03 0.30468E-04 -0.28054E-05 2824 0.160E-02 0.313E-02 RMM: 7 -0.372117904943E+03 -0.78871E-05 -0.20786E-05 2509 0.131E-02 5671 T= 6345. E= 0.68694834E+03 F= 0.63445647E+03 E0= 0.66478749E+03 EK= 0.52492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372857614051E+03 -0.73972E+00 -0.15283E-01 7908 0.238E+01 0.177E-01 RMM: 2 -0.372864964774E+03 -0.73507E-02 -0.57841E-02 5297 0.556E-01 0.671E-01 RMM: 3 -0.372861976533E+03 0.29882E-02 -0.48923E-03 5575 0.140E-01 0.149E-01 RMM: 4 -0.372861950993E+03 0.25540E-04 -0.51691E-04 4571 0.539E-02 0.167E-01 RMM: 5 -0.372861787167E+03 0.16383E-03 -0.12805E-04 3838 0.289E-02 0.842E-02 RMM: 6 -0.372861745903E+03 0.41264E-04 -0.35402E-05 3003 0.180E-02 0.347E-02 RMM: 7 -0.372861753770E+03 -0.78672E-05 -0.21544E-05 2531 0.131E-02 5672 T= 6583. E= 0.68824590E+03 F= 0.63379023E+03 E0= 0.66410058E+03 EK= 0.54456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373487231813E+03 -0.62549E+00 -0.15654E-01 7836 0.242E+01 0.188E-01 RMM: 2 -0.373495203549E+03 -0.79717E-02 -0.56554E-02 5342 0.553E-01 0.759E-01 RMM: 3 -0.373491414647E+03 0.37889E-02 -0.48106E-03 5510 0.145E-01 0.164E-01 RMM: 4 -0.373491359607E+03 0.55041E-04 -0.55255E-04 4609 0.544E-02 0.155E-01 RMM: 5 -0.373491222463E+03 0.13714E-03 -0.12037E-04 3796 0.277E-02 0.849E-02 RMM: 6 -0.373491179780E+03 0.42683E-04 -0.33258E-05 2971 0.176E-02 0.337E-02 RMM: 7 -0.373491188212E+03 -0.84323E-05 -0.20047E-05 2515 0.127E-02 5673 T= 6755. E= 0.68911445E+03 F= 0.63323353E+03 E0= 0.66351911E+03 EK= 0.55881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374009758225E+03 -0.51858E+00 -0.15647E-01 7944 0.243E+01 0.178E-01 RMM: 2 -0.374017999277E+03 -0.82411E-02 -0.60535E-02 5303 0.567E-01 0.738E-01 RMM: 3 -0.374014334525E+03 0.36648E-02 -0.51469E-03 5508 0.148E-01 0.142E-01 RMM: 4 -0.374014327411E+03 0.71137E-05 -0.50626E-04 4558 0.510E-02 0.159E-01 RMM: 5 -0.374014175189E+03 0.15222E-03 -0.11059E-04 3795 0.266E-02 0.801E-02 RMM: 6 -0.374014138486E+03 0.36703E-04 -0.33430E-05 2977 0.173E-02 0.352E-02 RMM: 7 -0.374014145067E+03 -0.65805E-05 -0.26737E-05 2553 0.147E-02 5674 T= 6797. E= 0.68900488E+03 F= 0.63277899E+03 E0= 0.66303779E+03 EK= 0.56226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374455453040E+03 -0.44131E+00 -0.15596E-01 7872 0.242E+01 0.175E-01 RMM: 2 -0.374464318094E+03 -0.88651E-02 -0.63601E-02 5242 0.583E-01 0.767E-01 RMM: 3 -0.374460404390E+03 0.39137E-02 -0.57406E-03 5582 0.153E-01 0.159E-01 RMM: 4 -0.374460282379E+03 0.12201E-03 -0.51341E-04 4570 0.521E-02 0.123E-01 RMM: 5 -0.374460205104E+03 0.77275E-04 -0.95377E-05 3656 0.248E-02 0.834E-02 RMM: 6 -0.374460165484E+03 0.39620E-04 -0.32860E-05 2936 0.176E-02 0.354E-02 RMM: 7 -0.374460181062E+03 -0.15578E-04 -0.24532E-05 2547 0.141E-02 5675 T= 6695. E= 0.68778500E+03 F= 0.63239767E+03 E0= 0.66262936E+03 EK= 0.55387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374871709959E+03 -0.41154E+00 -0.14655E-01 7668 0.238E+01 0.177E-01 RMM: 2 -0.374879850835E+03 -0.81409E-02 -0.56624E-02 5364 0.552E-01 0.762E-01 RMM: 3 -0.374875854821E+03 0.39960E-02 -0.47540E-03 5520 0.147E-01 0.132E-01 RMM: 4 -0.374875802019E+03 0.52803E-04 -0.42663E-04 4486 0.451E-02 0.117E-01 RMM: 5 -0.374875730260E+03 0.71758E-04 -0.69767E-05 3491 0.217E-02 0.823E-02 RMM: 6 -0.374875693501E+03 0.36760E-04 -0.32263E-05 2881 0.173E-02 0.357E-02 RMM: 7 -0.374875708396E+03 -0.14895E-04 -0.30364E-05 2611 0.156E-02 5676 T= 6498. E= 0.68580179E+03 F= 0.63204355E+03 E0= 0.66225046E+03 EK= 0.53758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375309252160E+03 -0.43356E+00 -0.14090E-01 7464 0.234E+01 0.152E-01 RMM: 2 -0.375316530592E+03 -0.72784E-02 -0.54086E-02 5357 0.532E-01 0.666E-01 RMM: 3 -0.375313422981E+03 0.31076E-02 -0.41537E-03 5578 0.132E-01 0.129E-01 RMM: 4 -0.375313354623E+03 0.68358E-04 -0.36059E-04 4167 0.433E-02 0.112E-01 RMM: 5 -0.375313288872E+03 0.65751E-04 -0.73171E-05 3525 0.239E-02 0.728E-02 RMM: 6 -0.375313261866E+03 0.27006E-04 -0.29792E-05 2825 0.165E-02 0.405E-02 RMM: 7 -0.375313282651E+03 -0.20786E-04 -0.31193E-05 2629 0.160E-02 0.743E-02 RMM: 8 -0.375313250314E+03 0.32337E-04 -0.23782E-05 2537 0.146E-02 0.225E-02 RMM: 9 -0.375313249609E+03 0.70556E-06 -0.81261E-06 2432 0.802E-03 5677 T= 6287. E= 0.68367044E+03 F= 0.63166411E+03 E0= 0.66185085E+03 EK= 0.52006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375811332261E+03 -0.49808E+00 -0.13802E-01 7584 0.230E+01 0.151E-01 RMM: 2 -0.375818157872E+03 -0.68256E-02 -0.53839E-02 5272 0.538E-01 0.623E-01 RMM: 3 -0.375815454481E+03 0.27034E-02 -0.44749E-03 5622 0.137E-01 0.110E-01 RMM: 4 -0.375815412799E+03 0.41682E-04 -0.34800E-04 4194 0.426E-02 0.111E-01 RMM: 5 -0.375815339226E+03 0.73573E-04 -0.64260E-05 3381 0.227E-02 0.675E-02 RMM: 6 -0.375815316694E+03 0.22532E-04 -0.26088E-05 2610 0.155E-02 0.334E-02 RMM: 7 -0.375815329016E+03 -0.12322E-04 -0.19919E-05 2520 0.130E-02 5678 T= 6136. E= 0.68197895E+03 F= 0.63121647E+03 E0= 0.66138831E+03 EK= 0.50762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376397355221E+03 -0.58204E+00 -0.13417E-01 7704 0.228E+01 0.156E-01 RMM: 2 -0.376404125128E+03 -0.67699E-02 -0.50957E-02 5308 0.528E-01 0.644E-01 RMM: 3 -0.376401251549E+03 0.28736E-02 -0.42957E-03 5663 0.136E-01 0.139E-01 RMM: 4 -0.376401130442E+03 0.12111E-03 -0.32797E-04 4196 0.404E-02 0.897E-02 RMM: 5 -0.376401086738E+03 0.43704E-04 -0.52165E-05 3193 0.207E-02 0.651E-02 RMM: 6 -0.376401070883E+03 0.15855E-04 -0.26587E-05 2559 0.158E-02 5679 T= 6094. E= 0.68109606E+03 F= 0.63068089E+03 E0= 0.66084431E+03 EK= 0.50415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377056293937E+03 -0.65521E+00 -0.13471E-01 7980 0.228E+01 0.246E-01 RMM: 2 -0.377070225037E+03 -0.13931E-01 -0.55802E-02 5207 0.554E-01 0.123E+00 RMM: 3 -0.377060347886E+03 0.98772E-02 -0.74545E-03 5349 0.202E-01 0.227E-01 RMM: 4 -0.377060011786E+03 0.33610E-03 -0.78236E-04 4630 0.572E-02 0.945E-02 RMM: 5 -0.377060012275E+03 -0.48911E-06 -0.11913E-04 3855 0.279E-02 5680 T= 6170. E= 0.68111150E+03 F= 0.63006724E+03 E0= 0.66022883E+03 EK= 0.51044E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377748537178E+03 -0.68853E+00 -0.13977E-01 8064 0.230E+01 0.240E-01 RMM: 2 -0.377761628234E+03 -0.13091E-01 -0.55775E-02 5327 0.545E-01 0.115E+00 RMM: 3 -0.377752814756E+03 0.88135E-02 -0.66549E-03 5344 0.191E-01 0.279E-01 RMM: 4 -0.377752307474E+03 0.50728E-03 -0.79437E-04 4625 0.593E-02 0.915E-02 RMM: 5 -0.377752289719E+03 0.17755E-04 -0.12750E-04 3880 0.295E-02 5681 T= 6337. E= 0.68183589E+03 F= 0.62941497E+03 E0= 0.65957887E+03 EK= 0.52421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378408632349E+03 -0.65632E+00 -0.14822E-01 8256 0.233E+01 0.210E-01 RMM: 2 -0.378422529482E+03 -0.13897E-01 -0.63670E-02 5105 0.600E-01 0.116E+00 RMM: 3 -0.378413534231E+03 0.89953E-02 -0.70117E-03 5398 0.189E-01 0.194E-01 RMM: 4 -0.378413326876E+03 0.20736E-03 -0.69913E-04 4653 0.558E-02 0.994E-02 RMM: 5 -0.378413298156E+03 0.28720E-04 -0.10595E-04 3820 0.267E-02 0.954E-02 RMM: 6 -0.378413246489E+03 0.51667E-04 -0.33152E-05 2896 0.171E-02 0.450E-02 RMM: 7 -0.378413275147E+03 -0.28659E-04 -0.55143E-05 3348 0.202E-02 0.857E-02 RMM: 8 -0.378413230654E+03 0.44493E-04 -0.37145E-05 2937 0.178E-02 0.259E-02 RMM: 9 -0.378413232498E+03 -0.18442E-05 -0.13425E-05 2469 0.106E-02 5682 T= 6533. E= 0.68283605E+03 F= 0.62878862E+03 E0= 0.65896212E+03 EK= 0.54047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378961606340E+03 -0.54838E+00 -0.15741E-01 8244 0.236E+01 0.205E-01 RMM: 2 -0.378971428453E+03 -0.98221E-02 -0.63963E-02 5107 0.591E-01 0.855E-01 RMM: 3 -0.378966395643E+03 0.50328E-02 -0.63150E-03 5436 0.172E-01 0.166E-01 RMM: 4 -0.378966406970E+03 -0.11327E-04 -0.72748E-04 4613 0.613E-02 0.179E-01 RMM: 5 -0.378966242438E+03 0.16453E-03 -0.15983E-04 3866 0.333E-02 0.102E-01 RMM: 6 -0.378966178720E+03 0.63718E-04 -0.43626E-05 3142 0.200E-02 0.302E-02 RMM: 7 -0.378966188368E+03 -0.96481E-05 -0.18895E-05 2512 0.132E-02 5683 T= 6683. E= 0.68355235E+03 F= 0.62826498E+03 E0= 0.65845133E+03 EK= 0.55287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379335002671E+03 -0.36882E+00 -0.15984E-01 8220 0.237E+01 0.151E-01 RMM: 2 -0.379342952872E+03 -0.79502E-02 -0.63603E-02 5275 0.574E-01 0.630E-01 RMM: 3 -0.379339988284E+03 0.29646E-02 -0.50421E-03 5565 0.146E-01 0.132E-01 RMM: 4 -0.379339899955E+03 0.88329E-04 -0.38096E-04 4284 0.437E-02 0.107E-01 RMM: 5 -0.379339822195E+03 0.77761E-04 -0.74075E-05 3574 0.244E-02 0.606E-02 RMM: 6 -0.379339810741E+03 0.11454E-04 -0.25045E-05 2582 0.147E-02 5684 T= 6722. E= 0.68352232E+03 F= 0.62791561E+03 E0= 0.65811703E+03 EK= 0.55607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379481731026E+03 -0.14191E+00 -0.15972E-01 8052 0.236E+01 0.231E-01 RMM: 2 -0.379497801502E+03 -0.16070E-01 -0.67921E-02 5029 0.601E-01 0.127E+00 RMM: 3 -0.379486942135E+03 0.10859E-01 -0.85919E-03 5374 0.212E-01 0.207E-01 RMM: 4 -0.379486693252E+03 0.24888E-03 -0.80149E-04 4699 0.568E-02 0.990E-02 RMM: 5 -0.379486664422E+03 0.28830E-04 -0.10982E-04 3829 0.286E-02 0.919E-02 RMM: 6 -0.379486616382E+03 0.48040E-04 -0.34584E-05 2974 0.174E-02 0.445E-02 RMM: 7 -0.379486640378E+03 -0.23996E-04 -0.36217E-05 2926 0.175E-02 0.779E-02 RMM: 8 -0.379486605240E+03 0.35138E-04 -0.32858E-05 2687 0.166E-02 0.307E-02 RMM: 9 -0.379486601670E+03 0.35692E-05 -0.11444E-05 2455 0.101E-02 5685 T= 6629. E= 0.68262477E+03 F= 0.62778812E+03 E0= 0.65800616E+03 EK= 0.54837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379386173620E+03 0.10043E+00 -0.15784E-01 7800 0.233E+01 0.265E-01 RMM: 2 -0.379404590094E+03 -0.18416E-01 -0.74348E-02 5102 0.644E-01 0.141E+00 RMM: 3 -0.379391520373E+03 0.13070E-01 -0.93585E-03 5392 0.225E-01 0.268E-01 RMM: 4 -0.379391056381E+03 0.46399E-03 -0.10468E-03 4649 0.684E-02 0.986E-02 RMM: 5 -0.379391075144E+03 -0.18763E-04 -0.15317E-04 3867 0.317E-02 5686 T= 6439. E= 0.68116731E+03 F= 0.62789796E+03 E0= 0.65813257E+03 EK= 0.53269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.379061538189E+03 0.32952E+00 -0.16034E-01 8220 0.229E+01 0.196E-01 RMM: 2 -0.379074398810E+03 -0.12861E-01 -0.77105E-02 5138 0.634E-01 0.993E-01 RMM: 3 -0.379067677536E+03 0.67213E-02 -0.78849E-03 5477 0.187E-01 0.182E-01 RMM: 4 -0.379067453510E+03 0.22403E-03 -0.59962E-04 4772 0.503E-02 0.879E-02 RMM: 5 -0.379067408018E+03 0.45492E-04 -0.10097E-04 3863 0.261E-02 0.793E-02 RMM: 6 -0.379067391778E+03 0.16240E-04 -0.53727E-05 3263 0.198E-02 5687 T= 6224. E= 0.67972391E+03 F= 0.62823076E+03 E0= 0.65848210E+03 EK= 0.51493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.378542500382E+03 0.52491E+00 -0.15624E-01 7848 0.226E+01 0.310E-01 RMM: 2 -0.378572635994E+03 -0.30136E-01 -0.74080E-02 4962 0.629E-01 0.193E+00 RMM: 3 -0.378547882209E+03 0.24754E-01 -0.12861E-02 5346 0.275E-01 0.310E-01 RMM: 4 -0.378547267623E+03 0.61459E-03 -0.15487E-03 4721 0.812E-02 0.109E-01 RMM: 5 -0.378547287745E+03 -0.20122E-04 -0.19865E-04 3887 0.342E-02 0.131E-01 RMM: 6 -0.378547182205E+03 0.10554E-03 -0.55172E-05 3290 0.221E-02 0.415E-02 RMM: 7 -0.378547180262E+03 0.19428E-05 -0.18265E-05 2513 0.130E-02 5688 T= 6059. E= 0.67887634E+03 F= 0.62875462E+03 E0= 0.65902131E+03 EK= 0.50122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377858886957E+03 0.68830E+00 -0.15405E-01 8184 0.223E+01 0.396E-01 RMM: 2 -0.377899243100E+03 -0.40356E-01 -0.82489E-02 5169 0.706E-01 0.233E+00 RMM: 3 -0.377864226013E+03 0.35017E-01 -0.16093E-02 5315 0.318E-01 0.426E-01 RMM: 4 -0.377862937446E+03 0.12886E-02 -0.20011E-03 4853 0.948E-02 0.794E-02 RMM: 5 -0.377863003153E+03 -0.65707E-04 -0.24323E-04 3897 0.362E-02 0.139E-01 RMM: 6 -0.377862878050E+03 0.12510E-03 -0.57859E-05 3299 0.221E-02 0.416E-02 RMM: 7 -0.377862874965E+03 0.30854E-05 -0.20789E-05 2540 0.135E-02 5689 T= 5995. E= 0.67903085E+03 F= 0.62943694E+03 E0= 0.65971789E+03 EK= 0.49594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.377032868153E+03 0.83001E+00 -0.15976E-01 8028 0.223E+01 0.238E-01 RMM: 2 -0.377050001822E+03 -0.17134E-01 -0.81031E-02 5003 0.654E-01 0.128E+00 RMM: 3 -0.377039227829E+03 0.10774E-01 -0.99534E-03 5416 0.223E-01 0.219E-01 RMM: 4 -0.377038916260E+03 0.31157E-03 -0.92524E-04 4790 0.595E-02 0.870E-02 RMM: 5 -0.377038915322E+03 0.93731E-06 -0.13394E-04 3850 0.301E-02 5690 T= 6055. E= 0.68034179E+03 F= 0.63025334E+03 E0= 0.66054681E+03 EK= 0.50088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376085408758E+03 0.95351E+00 -0.15916E-01 7980 0.225E+01 0.166E-01 RMM: 2 -0.376095444039E+03 -0.10035E-01 -0.70788E-02 5158 0.602E-01 0.776E-01 RMM: 3 -0.376091255519E+03 0.41885E-02 -0.66209E-03 5504 0.166E-01 0.166E-01 RMM: 4 -0.376091085037E+03 0.17048E-03 -0.52894E-04 4451 0.494E-02 0.106E-01 RMM: 5 -0.376091023110E+03 0.61927E-04 -0.97957E-05 3809 0.259E-02 0.858E-02 RMM: 6 -0.376090990202E+03 0.32908E-04 -0.49127E-05 3172 0.198E-02 0.611E-02 RMM: 7 -0.376091043755E+03 -0.53553E-04 -0.87341E-05 3867 0.226E-02 0.117E-01 RMM: 8 -0.376090956441E+03 0.87314E-04 -0.53061E-05 3304 0.207E-02 0.239E-02 RMM: 9 -0.376090956239E+03 0.20160E-06 -0.11851E-05 2463 0.103E-02 5691 T= 6226. E= 0.68269076E+03 F= 0.63118855E+03 E0= 0.66149370E+03 EK= 0.51502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375026530744E+03 0.10644E+01 -0.16108E-01 7956 0.229E+01 0.218E-01 RMM: 2 -0.375037621824E+03 -0.11091E-01 -0.72624E-02 5075 0.634E-01 0.931E-01 RMM: 3 -0.375032021623E+03 0.56002E-02 -0.75730E-03 5568 0.180E-01 0.187E-01 RMM: 4 -0.375031855712E+03 0.16591E-03 -0.73163E-04 4650 0.604E-02 0.149E-01 RMM: 5 -0.375031739385E+03 0.11633E-03 -0.13788E-04 3848 0.299E-02 0.801E-02 RMM: 6 -0.375031702123E+03 0.37262E-04 -0.33023E-05 2934 0.177E-02 0.276E-02 RMM: 7 -0.375031709843E+03 -0.77204E-05 -0.16257E-05 2489 0.118E-02 5692 T= 6461. E= 0.68567957E+03 F= 0.63223038E+03 E0= 0.66254460E+03 EK= 0.53449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373873274982E+03 0.11584E+01 -0.16059E-01 8256 0.233E+01 0.139E-01 RMM: 2 -0.373880639591E+03 -0.73646E-02 -0.63453E-02 5276 0.579E-01 0.561E-01 RMM: 3 -0.373878411866E+03 0.22277E-02 -0.50915E-03 5792 0.137E-01 0.119E-01 RMM: 4 -0.373878309964E+03 0.10190E-03 -0.32201E-04 4058 0.428E-02 0.998E-02 RMM: 5 -0.373878240670E+03 0.69294E-04 -0.68809E-05 3452 0.240E-02 0.583E-02 RMM: 6 -0.373878237939E+03 0.27315E-05 -0.28882E-05 2642 0.155E-02 5693 T= 6686. E= 0.68867244E+03 F= 0.63336233E+03 E0= 0.66368353E+03 EK= 0.55310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372657960037E+03 0.12203E+01 -0.16396E-01 7908 0.236E+01 0.254E-01 RMM: 2 -0.372673198063E+03 -0.15238E-01 -0.68234E-02 5202 0.624E-01 0.126E+00 RMM: 3 -0.372662965469E+03 0.10233E-01 -0.87331E-03 5373 0.219E-01 0.223E-01 RMM: 4 -0.372662658684E+03 0.30678E-03 -0.82822E-04 4666 0.576E-02 0.952E-02 RMM: 5 -0.372662640075E+03 0.18609E-04 -0.12949E-04 3862 0.305E-02 5694 T= 6819. E= 0.69096623E+03 F= 0.63455266E+03 E0= 0.66487834E+03 EK= 0.56414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371434756581E+03 0.12279E+01 -0.16674E-01 7752 0.237E+01 0.250E-01 RMM: 2 -0.371451456312E+03 -0.16700E-01 -0.66517E-02 5329 0.602E-01 0.133E+00 RMM: 3 -0.371439947684E+03 0.11509E-01 -0.75040E-03 5365 0.202E-01 0.295E-01 RMM: 4 -0.371439366496E+03 0.58119E-03 -0.94084E-04 4628 0.658E-02 0.958E-02 RMM: 5 -0.371439333092E+03 0.33404E-04 -0.13458E-04 3877 0.291E-02 0.102E-01 RMM: 6 -0.371439275036E+03 0.58056E-04 -0.56076E-05 3306 0.216E-02 0.582E-02 RMM: 7 -0.371439334035E+03 -0.58999E-04 -0.77587E-05 3694 0.215E-02 0.120E-01 RMM: 8 -0.371439244036E+03 0.89999E-04 -0.75423E-05 3792 0.233E-02 0.380E-02 RMM: 9 -0.371439236651E+03 0.73858E-05 -0.14137E-05 2482 0.113E-02 5695 T= 6811. E= 0.69208920E+03 F= 0.63574717E+03 E0= 0.66607539E+03 EK= 0.56342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370276427901E+03 0.11628E+01 -0.16716E-01 7716 0.236E+01 0.220E-01 RMM: 2 -0.370287511511E+03 -0.11084E-01 -0.72224E-02 5003 0.645E-01 0.922E-01 RMM: 3 -0.370281970796E+03 0.55407E-02 -0.76221E-03 5429 0.189E-01 0.186E-01 RMM: 4 -0.370281929635E+03 0.41161E-04 -0.79208E-04 4624 0.641E-02 0.182E-01 RMM: 5 -0.370281732781E+03 0.19685E-03 -0.15215E-04 3868 0.318E-02 0.756E-02 RMM: 6 -0.370281702783E+03 0.29998E-04 -0.34459E-05 2927 0.182E-02 0.344E-02 RMM: 7 -0.370281717748E+03 -0.14964E-04 -0.22177E-05 2528 0.140E-02 5696 T= 6669. E= 0.69204315E+03 F= 0.63687207E+03 E0= 0.66720193E+03 EK= 0.55171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369262357871E+03 0.10193E+01 -0.16334E-01 7692 0.233E+01 0.166E-01 RMM: 2 -0.369271393297E+03 -0.90354E-02 -0.65538E-02 5244 0.590E-01 0.730E-01 RMM: 3 -0.369267576385E+03 0.38169E-02 -0.53121E-03 5491 0.152E-01 0.152E-01 RMM: 4 -0.369267467543E+03 0.10884E-03 -0.45713E-04 4551 0.486E-02 0.113E-01 RMM: 5 -0.369267401437E+03 0.66106E-04 -0.85776E-05 3661 0.237E-02 0.831E-02 RMM: 6 -0.369267364740E+03 0.36697E-04 -0.35381E-05 2951 0.181E-02 0.453E-02 RMM: 7 -0.369267394670E+03 -0.29930E-04 -0.47991E-05 3168 0.187E-02 0.877E-02 RMM: 8 -0.369267346456E+03 0.48214E-04 -0.37736E-05 2876 0.181E-02 0.244E-02 RMM: 9 -0.369267344282E+03 0.21746E-05 -0.97159E-06 2438 0.889E-03 5697 T= 6459. E= 0.69127967E+03 F= 0.63784986E+03 E0= 0.66818154E+03 EK= 0.53430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368458828189E+03 0.80852E+00 -0.15576E-01 7332 0.230E+01 0.172E-01 RMM: 2 -0.368467121513E+03 -0.82933E-02 -0.62463E-02 5128 0.588E-01 0.703E-01 RMM: 3 -0.368463692127E+03 0.34294E-02 -0.55792E-03 5520 0.156E-01 0.127E-01 RMM: 4 -0.368463694196E+03 -0.20685E-05 -0.45437E-04 4591 0.496E-02 0.153E-01 RMM: 5 -0.368463552551E+03 0.14164E-03 -0.99216E-05 3740 0.267E-02 0.740E-02 RMM: 6 -0.368463519639E+03 0.32912E-04 -0.33261E-05 2913 0.177E-02 0.344E-02 RMM: 7 -0.368463531704E+03 -0.12065E-04 -0.29059E-05 2567 0.155E-02 5698 T= 6264. E= 0.69043201E+03 F= 0.63861295E+03 E0= 0.66894760E+03 EK= 0.51819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367910962545E+03 0.55256E+00 -0.14700E-01 7116 0.228E+01 0.171E-01 RMM: 2 -0.367919088815E+03 -0.81263E-02 -0.57976E-02 5301 0.564E-01 0.726E-01 RMM: 3 -0.367915449648E+03 0.36392E-02 -0.46540E-03 5488 0.145E-01 0.160E-01 RMM: 4 -0.367915335423E+03 0.11423E-03 -0.43308E-04 4563 0.474E-02 0.109E-01 RMM: 5 -0.367915254448E+03 0.80974E-04 -0.67472E-05 3441 0.213E-02 0.615E-02 RMM: 6 -0.367915241071E+03 0.13377E-04 -0.27064E-05 2673 0.162E-02 5699 T= 6155. E= 0.69003407E+03 F= 0.63911637E+03 E0= 0.66945554E+03 EK= 0.50918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367636574656E+03 0.27868E+00 -0.14471E-01 7440 0.228E+01 0.240E-01 RMM: 2 -0.367654284880E+03 -0.17710E-01 -0.63764E-02 5228 0.580E-01 0.138E+00 RMM: 3 -0.367641466043E+03 0.12819E-01 -0.75969E-03 5355 0.202E-01 0.236E-01 RMM: 4 -0.367641132291E+03 0.33375E-03 -0.86652E-04 4638 0.613E-02 0.105E-01 RMM: 5 -0.367641081074E+03 0.51218E-04 -0.11608E-04 3870 0.274E-02 0.904E-02 RMM: 6 -0.367641035414E+03 0.45660E-04 -0.36995E-05 2957 0.183E-02 0.488E-02 RMM: 7 -0.367641066628E+03 -0.31214E-04 -0.56490E-05 3345 0.205E-02 0.903E-02 RMM: 8 -0.367641014731E+03 0.51897E-04 -0.36748E-05 2896 0.174E-02 0.310E-02 RMM: 9 -0.367641011017E+03 0.37137E-05 -0.12440E-05 2457 0.101E-02 5700 T= 6167. E= 0.69036182E+03 F= 0.63934182E+03 E0= 0.66968722E+03 EK= 0.51020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367631826789E+03 0.91879E-02 -0.14879E-01 7392 0.230E+01 0.273E-01 RMM: 2 -0.367652009856E+03 -0.20183E-01 -0.67592E-02 5231 0.620E-01 0.152E+00 RMM: 3 -0.367636686508E+03 0.15323E-01 -0.87678E-03 5353 0.225E-01 0.289E-01 RMM: 4 -0.367636148556E+03 0.53795E-03 -0.11239E-03 4631 0.727E-02 0.103E-01 RMM: 5 -0.367636149080E+03 -0.52399E-06 -0.16083E-04 3873 0.337E-02 5701 T= 6297. E= 0.69139048E+03 F= 0.63929438E+03 E0= 0.66964721E+03 EK= 0.52096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367870443412E+03 -0.23429E+00 -0.15213E-01 7632 0.234E+01 0.188E-01 RMM: 2 -0.367882220314E+03 -0.11777E-01 -0.70176E-02 5323 0.605E-01 0.956E-01 RMM: 3 -0.367876022536E+03 0.61978E-02 -0.60197E-03 5413 0.169E-01 0.209E-01 RMM: 4 -0.367875748518E+03 0.27402E-03 -0.55101E-04 4720 0.492E-02 0.881E-02 RMM: 5 -0.367875662252E+03 0.86266E-04 -0.10872E-04 3882 0.270E-02 0.750E-02 RMM: 6 -0.367875673295E+03 -0.11043E-04 -0.93798E-05 3782 0.251E-02 5702 T= 6503. E= 0.69279348E+03 F= 0.63899941E+03 E0= 0.66936298E+03 EK= 0.53794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368315697189E+03 -0.44003E+00 -0.15718E-01 7500 0.238E+01 0.326E-01 RMM: 2 -0.368346202061E+03 -0.30505E-01 -0.83416E-02 5042 0.696E-01 0.193E+00 RMM: 3 -0.368321768002E+03 0.24434E-01 -0.12907E-02 5354 0.278E-01 0.342E-01 RMM: 4 -0.368320988702E+03 0.77930E-03 -0.16073E-03 4739 0.848E-02 0.109E-01 RMM: 5 -0.368320972375E+03 0.16327E-04 -0.22256E-04 3887 0.377E-02 0.120E-01 RMM: 6 -0.368320888527E+03 0.83848E-04 -0.69848E-05 3467 0.246E-02 0.496E-02 RMM: 7 -0.368320906169E+03 -0.17642E-04 -0.37528E-05 2961 0.181E-02 5703 T= 6709. E= 0.69399903E+03 F= 0.63849578E+03 E0= 0.66887086E+03 EK= 0.55503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368923897099E+03 -0.60301E+00 -0.15514E-01 7524 0.241E+01 0.375E-01 RMM: 2 -0.368962612409E+03 -0.38715E-01 -0.96069E-02 5271 0.754E-01 0.220E+00 RMM: 3 -0.368930677882E+03 0.31935E-01 -0.15195E-02 5358 0.305E-01 0.425E-01 RMM: 4 -0.368929404041E+03 0.12738E-02 -0.19282E-03 4802 0.945E-02 0.903E-02 RMM: 5 -0.368929394411E+03 0.96295E-05 -0.23086E-04 3886 0.372E-02 0.125E-01 RMM: 6 -0.368929296957E+03 0.97454E-04 -0.64813E-05 3415 0.233E-02 0.527E-02 RMM: 7 -0.368929317583E+03 -0.20626E-04 -0.46614E-05 3123 0.193E-02 0.870E-02 RMM: 8 -0.368929263374E+03 0.54210E-04 -0.46865E-05 2962 0.193E-02 0.396E-02 RMM: 9 -0.368929255216E+03 0.81577E-05 -0.17209E-05 2482 0.118E-02 5704 T= 6835. E= 0.69437012E+03 F= 0.63782591E+03 E0= 0.66821383E+03 EK= 0.56544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369659138721E+03 -0.72988E+00 -0.15789E-01 7620 0.241E+01 0.222E-01 RMM: 2 -0.369675249372E+03 -0.16111E-01 -0.80699E-02 5177 0.660E-01 0.123E+00 RMM: 3 -0.369665373296E+03 0.98761E-02 -0.80764E-03 5426 0.199E-01 0.161E-01 RMM: 4 -0.369665293974E+03 0.79322E-04 -0.75357E-04 4645 0.581E-02 0.137E-01 RMM: 5 -0.369665180212E+03 0.11376E-03 -0.11993E-04 3855 0.282E-02 0.828E-02 RMM: 6 -0.369665144855E+03 0.35357E-04 -0.39805E-05 3012 0.187E-02 0.462E-02 RMM: 7 -0.369665161621E+03 -0.16766E-04 -0.34587E-05 2793 0.173E-02 5705 T= 6826. E= 0.69349347E+03 F= 0.63702478E+03 E0= 0.66742597E+03 EK= 0.56469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370492931756E+03 -0.82779E+00 -0.15788E-01 7740 0.239E+01 0.206E-01 RMM: 2 -0.370505509444E+03 -0.12578E-01 -0.78451E-02 5234 0.659E-01 0.982E-01 RMM: 3 -0.370499111151E+03 0.63983E-02 -0.71160E-03 5455 0.180E-01 0.191E-01 RMM: 4 -0.370498903035E+03 0.20812E-03 -0.64310E-04 4629 0.557E-02 0.114E-01 RMM: 5 -0.370498828542E+03 0.74493E-04 -0.12288E-04 3878 0.291E-02 0.898E-02 RMM: 6 -0.370498792683E+03 0.35859E-04 -0.47009E-05 3178 0.196E-02 0.640E-02 RMM: 7 -0.370498824902E+03 -0.32219E-04 -0.77490E-05 3722 0.228E-02 0.104E-01 RMM: 8 -0.370498753040E+03 0.71862E-04 -0.42738E-05 3116 0.195E-02 0.250E-02 RMM: 9 -0.370498754298E+03 -0.12578E-05 -0.12113E-05 2465 0.958E-03 5706 T= 6684. E= 0.69141792E+03 F= 0.63612142E+03 E0= 0.66653660E+03 EK= 0.55297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371398144901E+03 -0.89939E+00 -0.15611E-01 7740 0.235E+01 0.203E-01 RMM: 2 -0.371409204838E+03 -0.11060E-01 -0.77681E-02 5106 0.658E-01 0.867E-01 RMM: 3 -0.371404187054E+03 0.50178E-02 -0.75318E-03 5535 0.182E-01 0.151E-01 RMM: 4 -0.371404104843E+03 0.82211E-04 -0.64377E-04 4627 0.580E-02 0.145E-01 RMM: 5 -0.371404012559E+03 0.92284E-04 -0.12572E-04 3856 0.288E-02 0.102E-01 RMM: 6 -0.371403950118E+03 0.62442E-04 -0.48903E-05 3210 0.210E-02 0.346E-02 RMM: 7 -0.371403971571E+03 -0.21454E-04 -0.24983E-05 2566 0.147E-02 0.729E-02 RMM: 8 -0.371403936859E+03 0.34712E-04 -0.20017E-05 2535 0.141E-02 0.176E-02 RMM: 9 -0.371403936638E+03 0.22084E-06 -0.65865E-06 2435 0.728E-03 5707 T= 6466. E= 0.68863286E+03 F= 0.63514098E+03 E0= 0.66556923E+03 EK= 0.53492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372346538533E+03 -0.94260E+00 -0.15117E-01 8004 0.231E+01 0.169E-01 RMM: 2 -0.372355542186E+03 -0.90037E-02 -0.70486E-02 5236 0.607E-01 0.694E-01 RMM: 3 -0.372352125779E+03 0.34164E-02 -0.57519E-03 5568 0.152E-01 0.133E-01 RMM: 4 -0.372352079286E+03 0.46493E-04 -0.47308E-04 4535 0.510E-02 0.143E-01 RMM: 5 -0.372351963351E+03 0.11593E-03 -0.11210E-04 3859 0.276E-02 0.845E-02 RMM: 6 -0.372351929727E+03 0.33625E-04 -0.42177E-05 3108 0.190E-02 0.531E-02 RMM: 7 -0.372351956707E+03 -0.26980E-04 -0.49338E-05 3245 0.194E-02 0.898E-02 RMM: 8 -0.372351905774E+03 0.50933E-04 -0.27061E-05 2749 0.164E-02 0.222E-02 RMM: 9 -0.372351905074E+03 0.69977E-06 -0.88725E-06 2443 0.819E-03 5708 T= 6250. E= 0.68581463E+03 F= 0.63411153E+03 E0= 0.66455074E+03 EK= 0.51703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373300998795E+03 -0.94909E+00 -0.14944E-01 8244 0.228E+01 0.188E-01 RMM: 2 -0.373310668958E+03 -0.96702E-02 -0.69765E-02 5258 0.602E-01 0.796E-01 RMM: 3 -0.373306349526E+03 0.43194E-02 -0.59785E-03 5564 0.161E-01 0.151E-01 RMM: 4 -0.373306241870E+03 0.10766E-03 -0.53291E-04 4635 0.521E-02 0.127E-01 RMM: 5 -0.373306166385E+03 0.75485E-04 -0.10614E-04 3845 0.260E-02 0.948E-02 RMM: 6 -0.373306119192E+03 0.47193E-04 -0.49512E-05 3233 0.208E-02 0.483E-02 RMM: 7 -0.373306153091E+03 -0.33899E-04 -0.39478E-05 2988 0.178E-02 0.919E-02 RMM: 8 -0.373306098573E+03 0.54518E-04 -0.28537E-05 2683 0.169E-02 0.226E-02 RMM: 9 -0.373306097486E+03 0.10865E-05 -0.83986E-06 2440 0.803E-03 5709 T= 6102. E= 0.68354965E+03 F= 0.63306926E+03 E0= 0.66351663E+03 EK= 0.50480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374212959130E+03 -0.90686E+00 -0.15592E-01 8472 0.227E+01 0.171E-01 RMM: 2 -0.374223091279E+03 -0.10132E-01 -0.73479E-02 5271 0.594E-01 0.778E-01 RMM: 3 -0.374218739817E+03 0.43515E-02 -0.58689E-03 5565 0.155E-01 0.147E-01 RMM: 4 -0.374218628819E+03 0.11100E-03 -0.49995E-04 4469 0.502E-02 0.121E-01 RMM: 5 -0.374218560234E+03 0.68584E-04 -0.11635E-04 3875 0.288E-02 0.937E-02 RMM: 6 -0.374218516531E+03 0.43703E-04 -0.48726E-05 3211 0.203E-02 0.552E-02 RMM: 7 -0.374218549378E+03 -0.32847E-04 -0.56467E-05 3388 0.206E-02 0.949E-02 RMM: 8 -0.374218491710E+03 0.57668E-04 -0.29901E-05 2859 0.174E-02 0.232E-02 RMM: 9 -0.374218490995E+03 0.71440E-06 -0.90405E-06 2446 0.816E-03 5710 T= 6059. E= 0.68218729E+03 F= 0.63206234E+03 E0= 0.66251332E+03 EK= 0.50125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375021263036E+03 -0.80277E+00 -0.16578E-01 8688 0.227E+01 0.175E-01 RMM: 2 -0.375031752089E+03 -0.10489E-01 -0.80349E-02 5251 0.618E-01 0.756E-01 RMM: 3 -0.375027644840E+03 0.41072E-02 -0.65576E-03 5678 0.161E-01 0.150E-01 RMM: 4 -0.375027493721E+03 0.15112E-03 -0.50096E-04 4489 0.499E-02 0.116E-01 RMM: 5 -0.375027416439E+03 0.77283E-04 -0.11039E-04 3871 0.282E-02 0.850E-02 RMM: 6 -0.375027395290E+03 0.21148E-04 -0.59730E-05 3389 0.218E-02 0.680E-02 RMM: 7 -0.375027422215E+03 -0.26924E-04 -0.48946E-05 3184 0.195E-02 0.998E-02 RMM: 8 -0.375027358284E+03 0.63931E-04 -0.33806E-05 2878 0.181E-02 0.261E-02 RMM: 9 -0.375027357459E+03 0.82525E-06 -0.11142E-05 2457 0.912E-03 5711 T= 6123. E= 0.68181083E+03 F= 0.63115307E+03 E0= 0.66160203E+03 EK= 0.50658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375649434758E+03 -0.62208E+00 -0.17783E-01 8856 0.230E+01 0.170E-01 RMM: 2 -0.375661157858E+03 -0.11723E-01 -0.90789E-02 5192 0.657E-01 0.766E-01 RMM: 3 -0.375656911989E+03 0.42459E-02 -0.79593E-03 5682 0.174E-01 0.155E-01 RMM: 4 -0.375656726104E+03 0.18589E-03 -0.55130E-04 4449 0.516E-02 0.109E-01 RMM: 5 -0.375656660365E+03 0.65739E-04 -0.12866E-04 3878 0.311E-02 0.865E-02 RMM: 6 -0.375656638961E+03 0.21404E-04 -0.57542E-05 3344 0.212E-02 0.739E-02 RMM: 7 -0.375656660336E+03 -0.21375E-04 -0.69325E-05 3593 0.226E-02 0.998E-02 RMM: 8 -0.375656596531E+03 0.63805E-04 -0.33727E-05 2962 0.179E-02 0.278E-02 RMM: 9 -0.375656596285E+03 0.24619E-06 -0.12279E-05 2464 0.958E-03 5712 T= 6266. E= 0.68225878E+03 F= 0.63041833E+03 E0= 0.66085758E+03 EK= 0.51840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376016343873E+03 -0.35975E+00 -0.18942E-01 8964 0.233E+01 0.178E-01 RMM: 2 -0.376028406073E+03 -0.12062E-01 -0.96297E-02 5227 0.668E-01 0.760E-01 RMM: 3 -0.376024153988E+03 0.42521E-02 -0.76335E-03 5774 0.172E-01 0.146E-01 RMM: 4 -0.376023976099E+03 0.17789E-03 -0.53225E-04 4533 0.511E-02 0.118E-01 RMM: 5 -0.376023887113E+03 0.88986E-04 -0.12404E-04 3878 0.306E-02 0.771E-02 RMM: 6 -0.376023891295E+03 -0.41826E-05 -0.69683E-05 3516 0.228E-02 5713 T= 6434. E= 0.68316851E+03 F= 0.62994113E+03 E0= 0.66036207E+03 EK= 0.53227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.376047990049E+03 -0.24103E-01 -0.20452E-01 9048 0.236E+01 0.315E-01 RMM: 2 -0.376077525067E+03 -0.29535E-01 -0.10418E-01 5254 0.703E-01 0.179E+00 RMM: 3 -0.376055827160E+03 0.21698E-01 -0.12513E-02 5360 0.262E-01 0.294E-01 RMM: 4 -0.376055300800E+03 0.52636E-03 -0.14241E-03 4714 0.758E-02 0.137E-01 RMM: 5 -0.376055275728E+03 0.25073E-04 -0.26653E-04 3909 0.426E-02 0.147E-01 RMM: 6 -0.376055151966E+03 0.12376E-03 -0.14448E-04 3883 0.325E-02 0.842E-02 RMM: 7 -0.376055218194E+03 -0.66227E-04 -0.13934E-04 3887 0.314E-02 0.132E-01 RMM: 8 -0.376055117663E+03 0.10053E-03 -0.70016E-05 3513 0.248E-02 0.576E-02 RMM: 9 -0.376055100715E+03 0.16948E-04 -0.18702E-05 2557 0.129E-02 5714 T= 6562. E= 0.68407895E+03 F= 0.62979596E+03 E0= 0.66019027E+03 EK= 0.54283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.375697335800E+03 0.35778E+00 -0.21444E-01 8928 0.238E+01 0.321E-01 RMM: 2 -0.375731667705E+03 -0.34332E-01 -0.11947E-01 5004 0.758E-01 0.195E+00 RMM: 3 -0.375706470658E+03 0.25197E-01 -0.14518E-02 5380 0.284E-01 0.331E-01 RMM: 4 -0.375705714938E+03 0.75572E-03 -0.17480E-03 4858 0.878E-02 0.120E-01 RMM: 5 -0.375705745000E+03 -0.30062E-04 -0.26291E-04 3894 0.397E-02 0.153E-01 RMM: 6 -0.375705592064E+03 0.15294E-03 -0.10595E-04 3866 0.294E-02 0.487E-02 RMM: 7 -0.375705616385E+03 -0.24320E-04 -0.56382E-05 3322 0.205E-02 0.833E-02 RMM: 8 -0.375705576942E+03 0.39443E-04 -0.39904E-05 2943 0.196E-02 0.368E-02 RMM: 9 -0.375705570540E+03 0.64017E-05 -0.11256E-05 2466 0.976E-03 5715 T= 6598. E= 0.68460875E+03 F= 0.63002742E+03 E0= 0.66038761E+03 EK= 0.54581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.374971253100E+03 0.73432E+00 -0.22104E-01 8844 0.238E+01 0.246E-01 RMM: 2 -0.374990145640E+03 -0.18893E-01 -0.11546E-01 5142 0.732E-01 0.117E+00 RMM: 3 -0.374980440174E+03 0.97055E-02 -0.10366E-02 5411 0.223E-01 0.235E-01 RMM: 4 -0.374980180654E+03 0.25952E-03 -0.10528E-03 4682 0.703E-02 0.154E-01 RMM: 5 -0.374980084873E+03 0.95781E-04 -0.19387E-04 3885 0.355E-02 0.126E-01 RMM: 6 -0.374979993558E+03 0.91315E-04 -0.77201E-05 3546 0.245E-02 0.589E-02 RMM: 7 -0.374980052046E+03 -0.58488E-04 -0.93714E-05 3839 0.252E-02 0.116E-01 RMM: 8 -0.374979965745E+03 0.86302E-04 -0.47971E-05 3235 0.205E-02 0.280E-02 RMM: 9 -0.374979963404E+03 0.23409E-05 -0.10905E-05 2467 0.949E-03 5716 T= 6529. E= 0.68464109E+03 F= 0.63063047E+03 E0= 0.66095135E+03 EK= 0.54011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373930837091E+03 0.10491E+01 -0.21830E-01 8760 0.235E+01 0.231E-01 RMM: 2 -0.373946088306E+03 -0.15251E-01 -0.11989E-01 5074 0.757E-01 0.863E-01 RMM: 3 -0.373940376113E+03 0.57122E-02 -0.10270E-02 5492 0.216E-01 0.206E-01 RMM: 4 -0.373940281148E+03 0.94965E-04 -0.96641E-04 4676 0.712E-02 0.196E-01 RMM: 5 -0.373940058784E+03 0.22236E-03 -0.19530E-04 3892 0.344E-02 0.110E-01 RMM: 6 -0.373939990996E+03 0.67788E-04 -0.62975E-05 3398 0.232E-02 0.524E-02 RMM: 7 -0.373940032491E+03 -0.41495E-04 -0.62401E-05 3432 0.208E-02 0.103E-01 RMM: 8 -0.373939964740E+03 0.67752E-04 -0.44263E-05 3047 0.197E-02 0.285E-02 RMM: 9 -0.373939962765E+03 0.19744E-05 -0.13172E-05 2467 0.104E-02 5717 T= 6387. E= 0.68437989E+03 F= 0.63154307E+03 E0= 0.66182271E+03 EK= 0.52837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372684888885E+03 0.12551E+01 -0.20241E-01 8640 0.232E+01 0.232E-01 RMM: 2 -0.372698522449E+03 -0.13634E-01 -0.11280E-01 5160 0.741E-01 0.780E-01 RMM: 3 -0.372693878024E+03 0.46444E-02 -0.92879E-03 5541 0.202E-01 0.183E-01 RMM: 4 -0.372693994742E+03 -0.11672E-03 -0.94755E-04 4689 0.729E-02 0.254E-01 RMM: 5 -0.372693601527E+03 0.39321E-03 -0.25398E-04 3915 0.410E-02 0.101E-01 RMM: 6 -0.372693547039E+03 0.54489E-04 -0.60492E-05 3366 0.225E-02 0.567E-02 RMM: 7 -0.372693582142E+03 -0.35104E-04 -0.69103E-05 3592 0.217E-02 0.982E-02 RMM: 8 -0.372693521322E+03 0.60821E-04 -0.43319E-05 3082 0.192E-02 0.293E-02 RMM: 9 -0.372693521489E+03 -0.16682E-06 -0.14385E-05 2479 0.109E-02 5718 T= 6234. E= 0.68423170E+03 F= 0.63265720E+03 E0= 0.66289561E+03 EK= 0.51574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371358363129E+03 0.13352E+01 -0.18499E-01 8376 0.229E+01 0.254E-01 RMM: 2 -0.371374195048E+03 -0.15832E-01 -0.10964E-01 5010 0.749E-01 0.999E-01 RMM: 3 -0.371367134205E+03 0.70608E-02 -0.10948E-02 5460 0.225E-01 0.211E-01 RMM: 4 -0.371367143527E+03 -0.93221E-05 -0.11496E-03 4751 0.781E-02 0.237E-01 RMM: 5 -0.371366827210E+03 0.31632E-03 -0.25065E-04 3911 0.401E-02 0.125E-01 RMM: 6 -0.371366733930E+03 0.93280E-04 -0.76140E-05 3521 0.253E-02 0.513E-02 RMM: 7 -0.371366764367E+03 -0.30437E-04 -0.57136E-05 3316 0.206E-02 0.911E-02 RMM: 8 -0.371366715255E+03 0.49112E-04 -0.43504E-05 3016 0.194E-02 0.375E-02 RMM: 9 -0.371366710020E+03 0.52352E-05 -0.16370E-05 2490 0.119E-02 5719 T= 6136. E= 0.68460619E+03 F= 0.63384728E+03 E0= 0.66404664E+03 EK= 0.50759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370061896295E+03 0.13048E+01 -0.17370E-01 8016 0.228E+01 0.230E-01 RMM: 2 -0.370075896905E+03 -0.14001E-01 -0.96794E-02 4960 0.709E-01 0.942E-01 RMM: 3 -0.370069567442E+03 0.63295E-02 -0.94722E-03 5474 0.208E-01 0.173E-01 RMM: 4 -0.370069703288E+03 -0.13585E-03 -0.97710E-04 4714 0.730E-02 0.243E-01 RMM: 5 -0.370069360486E+03 0.34280E-03 -0.23028E-04 3896 0.391E-02 0.110E-01 RMM: 6 -0.370069290457E+03 0.70029E-04 -0.69224E-05 3449 0.240E-02 0.522E-02 RMM: 7 -0.370069321634E+03 -0.31178E-04 -0.61336E-05 3407 0.214E-02 0.913E-02 RMM: 8 -0.370069268854E+03 0.52780E-04 -0.38748E-05 3008 0.192E-02 0.297E-02 RMM: 9 -0.370069266132E+03 0.27223E-05 -0.12044E-05 2462 0.101E-02 5720 T= 6135. E= 0.68575801E+03 F= 0.63500460E+03 E0= 0.66516662E+03 EK= 0.50753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368864700979E+03 0.12046E+01 -0.16397E-01 7812 0.230E+01 0.207E-01 RMM: 2 -0.368876259439E+03 -0.11558E-01 -0.81490E-02 4904 0.648E-01 0.838E-01 RMM: 3 -0.368871065477E+03 0.51940E-02 -0.79279E-03 5450 0.193E-01 0.166E-01 RMM: 4 -0.368871123761E+03 -0.58284E-04 -0.82301E-04 4656 0.670E-02 0.203E-01 RMM: 5 -0.368870887517E+03 0.23624E-03 -0.18763E-04 3888 0.356E-02 0.106E-01 RMM: 6 -0.368870826231E+03 0.61286E-04 -0.66339E-05 3427 0.233E-02 0.535E-02 RMM: 7 -0.368870858041E+03 -0.31810E-04 -0.57493E-05 3333 0.211E-02 0.938E-02 RMM: 8 -0.368870801795E+03 0.56246E-04 -0.32021E-05 2893 0.182E-02 0.242E-02 RMM: 9 -0.368870800455E+03 0.13402E-05 -0.92655E-06 2445 0.853E-03 5721 T= 6243. E= 0.68770563E+03 F= 0.63606088E+03 E0= 0.66618777E+03 EK= 0.51645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367786212253E+03 0.10846E+01 -0.16879E-01 7908 0.232E+01 0.195E-01 RMM: 2 -0.367797549515E+03 -0.11337E-01 -0.87846E-02 4847 0.682E-01 0.767E-01 RMM: 3 -0.367793311347E+03 0.42382E-02 -0.88909E-03 5571 0.194E-01 0.154E-01 RMM: 4 -0.367793248774E+03 0.62573E-04 -0.68390E-04 4652 0.614E-02 0.165E-01 RMM: 5 -0.367793104206E+03 0.14457E-03 -0.18254E-04 3897 0.367E-02 0.105E-01 RMM: 6 -0.367793054309E+03 0.49897E-04 -0.79457E-05 3555 0.249E-02 0.668E-02 RMM: 7 -0.367793085503E+03 -0.31193E-04 -0.63451E-05 3443 0.224E-02 0.993E-02 RMM: 8 -0.367793020611E+03 0.64891E-04 -0.34301E-05 2984 0.187E-02 0.254E-02 RMM: 9 -0.367793019188E+03 0.14227E-05 -0.10298E-05 2456 0.912E-03 5722 T= 6431. E= 0.69020020E+03 F= 0.63699561E+03 E0= 0.66708909E+03 EK= 0.53205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366815525665E+03 0.97749E+00 -0.18087E-01 8304 0.236E+01 0.180E-01 RMM: 2 -0.366826814816E+03 -0.11289E-01 -0.94657E-02 4923 0.701E-01 0.674E-01 RMM: 3 -0.366823273258E+03 0.35416E-02 -0.90156E-03 5659 0.194E-01 0.155E-01 RMM: 4 -0.366823143105E+03 0.13015E-03 -0.62042E-04 4655 0.587E-02 0.146E-01 RMM: 5 -0.366822991190E+03 0.15192E-03 -0.18099E-04 3889 0.381E-02 0.694E-02 RMM: 6 -0.366823035651E+03 -0.44461E-04 -0.99343E-05 3746 0.267E-02 0.112E-01 RMM: 7 -0.366822993904E+03 0.41747E-04 -0.51178E-05 3243 0.214E-02 0.860E-02 RMM: 8 -0.366822946147E+03 0.47757E-04 -0.27812E-05 2754 0.162E-02 0.241E-02 RMM: 9 -0.366822948360E+03 -0.22127E-05 -0.12171E-05 2459 0.995E-03 5723 T= 6639. E= 0.69274199E+03 F= 0.63782243E+03 E0= 0.66788585E+03 EK= 0.54920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365930496606E+03 0.89245E+00 -0.19471E-01 8640 0.240E+01 0.191E-01 RMM: 2 -0.365943443233E+03 -0.12947E-01 -0.10683E-01 5007 0.724E-01 0.733E-01 RMM: 3 -0.365939197891E+03 0.42453E-02 -0.95746E-03 5605 0.201E-01 0.172E-01 RMM: 4 -0.365939023150E+03 0.17474E-03 -0.66235E-04 4674 0.588E-02 0.136E-01 RMM: 5 -0.365938904828E+03 0.11832E-03 -0.16873E-04 3888 0.361E-02 0.954E-02 RMM: 6 -0.365938894151E+03 0.10677E-04 -0.91932E-05 3680 0.260E-02 5724 T= 6786. E= 0.69470541E+03 F= 0.63856288E+03 E0= 0.66859926E+03 EK= 0.56143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365128696238E+03 0.81021E+00 -0.20849E-01 8868 0.241E+01 0.373E-01 RMM: 2 -0.365165167091E+03 -0.36471E-01 -0.12393E-01 5077 0.785E-01 0.203E+00 RMM: 3 -0.365137601477E+03 0.27566E-01 -0.17197E-02 5350 0.312E-01 0.329E-01 RMM: 4 -0.365136939755E+03 0.66172E-03 -0.18458E-03 4859 0.855E-02 0.156E-01 RMM: 5 -0.365136913260E+03 0.26496E-04 -0.35698E-04 4250 0.492E-02 0.179E-01 RMM: 6 -0.365136729855E+03 0.18341E-03 -0.19703E-04 3887 0.371E-02 0.946E-02 RMM: 7 -0.365136832080E+03 -0.10223E-03 -0.17055E-04 3909 0.345E-02 0.156E-01 RMM: 8 -0.365136689054E+03 0.14303E-03 -0.96164E-05 3732 0.280E-02 0.698E-02 RMM: 9 -0.365136661429E+03 0.27625E-04 -0.27135E-05 2851 0.154E-02 0.325E-02 RMM: 10 -0.365136665837E+03 -0.44079E-05 -0.17608E-05 2505 0.122E-02 5725 T= 6814. E= 0.69559338E+03 F= 0.63922025E+03 E0= 0.66923763E+03 EK= 0.56373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364436958283E+03 0.69970E+00 -0.21211E-01 8808 0.239E+01 0.354E-01 RMM: 2 -0.364473298091E+03 -0.36340E-01 -0.13608E-01 4889 0.805E-01 0.195E+00 RMM: 3 -0.364447263234E+03 0.26035E-01 -0.17687E-02 5391 0.312E-01 0.357E-01 RMM: 4 -0.364446430774E+03 0.83246E-03 -0.20451E-03 5085 0.953E-02 0.145E-01 RMM: 5 -0.364446448382E+03 -0.17608E-04 -0.33009E-04 4016 0.445E-02 0.173E-01 RMM: 6 -0.364446251827E+03 0.19656E-03 -0.13019E-04 3877 0.319E-02 0.567E-02 RMM: 7 -0.364446282557E+03 -0.30730E-04 -0.62312E-05 3398 0.209E-02 0.937E-02 RMM: 8 -0.364446233750E+03 0.48808E-04 -0.41341E-05 3003 0.197E-02 0.450E-02 RMM: 9 -0.364446222056E+03 0.11693E-04 -0.14218E-05 2488 0.111E-02 5726 T= 6713. E= 0.69529571E+03 F= 0.63976326E+03 E0= 0.66976803E+03 EK= 0.55532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363917766876E+03 0.52847E+00 -0.21699E-01 8856 0.236E+01 0.244E-01 RMM: 2 -0.363934275346E+03 -0.16508E-01 -0.13427E-01 5179 0.755E-01 0.855E-01 RMM: 3 -0.363928070443E+03 0.62049E-02 -0.10226E-02 5519 0.212E-01 0.212E-01 RMM: 4 -0.363928014443E+03 0.56000E-04 -0.10770E-03 4725 0.741E-02 0.223E-01 RMM: 5 -0.363927742603E+03 0.27184E-03 -0.26766E-04 3908 0.404E-02 0.139E-01 RMM: 6 -0.363927643170E+03 0.99433E-04 -0.12826E-04 3874 0.311E-02 0.752E-02 RMM: 7 -0.363927719940E+03 -0.76770E-04 -0.11575E-04 3880 0.281E-02 0.137E-01 RMM: 8 -0.363927602140E+03 0.11780E-03 -0.62310E-05 3430 0.227E-02 0.420E-02 RMM: 9 -0.363927593179E+03 0.89607E-05 -0.15715E-05 2500 0.114E-02 5727 T= 6529. E= 0.69414282E+03 F= 0.64013052E+03 E0= 0.67013110E+03 EK= 0.54012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363636187542E+03 0.29141E+00 -0.21772E-01 8952 0.231E+01 0.248E-01 RMM: 2 -0.363655594538E+03 -0.19407E-01 -0.15282E-01 4983 0.829E-01 0.946E-01 RMM: 3 -0.363648441646E+03 0.71529E-02 -0.13296E-02 5729 0.230E-01 0.193E-01 RMM: 4 -0.363648339638E+03 0.10201E-03 -0.11378E-03 4755 0.777E-02 0.217E-01 RMM: 5 -0.363648093004E+03 0.24663E-03 -0.25948E-04 3902 0.404E-02 0.130E-01 RMM: 6 -0.363647993953E+03 0.99051E-04 -0.89171E-05 3643 0.265E-02 0.570E-02 RMM: 7 -0.363648039974E+03 -0.46022E-04 -0.72711E-05 3549 0.226E-02 0.105E-01 RMM: 8 -0.363647966834E+03 0.73141E-04 -0.45081E-05 3136 0.202E-02 0.314E-02 RMM: 9 -0.363647962313E+03 0.45202E-05 -0.12871E-05 2475 0.103E-02 5728 T= 6340. E= 0.69270551E+03 F= 0.64025397E+03 E0= 0.67025795E+03 EK= 0.52452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363647308717E+03 0.65812E-03 -0.22437E-01 8892 0.228E+01 0.242E-01 RMM: 2 -0.363665639174E+03 -0.18330E-01 -0.14869E-01 5188 0.814E-01 0.884E-01 RMM: 3 -0.363659066570E+03 0.65726E-02 -0.11076E-02 5605 0.216E-01 0.207E-01 RMM: 4 -0.363659025701E+03 0.40870E-04 -0.11682E-03 4782 0.785E-02 0.229E-01 RMM: 5 -0.363658736177E+03 0.28952E-03 -0.27802E-04 3917 0.418E-02 0.127E-01 RMM: 6 -0.363658645397E+03 0.90779E-04 -0.96662E-05 3698 0.273E-02 0.598E-02 RMM: 7 -0.363658698917E+03 -0.53520E-04 -0.77038E-05 3618 0.228E-02 0.112E-01 RMM: 8 -0.363658617708E+03 0.81209E-04 -0.45900E-05 3165 0.205E-02 0.311E-02 RMM: 9 -0.363658614429E+03 0.32793E-05 -0.11988E-05 2472 0.988E-03 5729 T= 6217. E= 0.69151691E+03 F= 0.64008211E+03 E0= 0.67009615E+03 EK= 0.51435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363967598574E+03 -0.30898E+00 -0.21571E-01 9048 0.226E+01 0.249E-01 RMM: 2 -0.363985224865E+03 -0.17626E-01 -0.13000E-01 5231 0.750E-01 0.986E-01 RMM: 3 -0.363977562665E+03 0.76622E-02 -0.95897E-03 5652 0.204E-01 0.214E-01 RMM: 4 -0.363977436828E+03 0.12584E-03 -0.10957E-03 4690 0.751E-02 0.203E-01 RMM: 5 -0.363977275841E+03 0.16099E-03 -0.27152E-04 3920 0.412E-02 0.155E-01 RMM: 6 -0.363977129231E+03 0.14661E-03 -0.12145E-04 3852 0.307E-02 0.564E-02 RMM: 7 -0.363977190516E+03 -0.61284E-04 -0.76319E-05 3548 0.229E-02 0.116E-01 RMM: 8 -0.363977105323E+03 0.85193E-04 -0.43014E-05 3120 0.204E-02 0.326E-02 RMM: 9 -0.363977100605E+03 0.47184E-05 -0.11202E-05 2470 0.958E-03 5730 T= 6200. E= 0.69089190E+03 F= 0.63959786E+03 E0= 0.66962671E+03 EK= 0.51294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364569864923E+03 -0.59276E+00 -0.20851E-01 9120 0.227E+01 0.220E-01 RMM: 2 -0.364584418136E+03 -0.14553E-01 -0.11853E-01 5377 0.699E-01 0.798E-01 RMM: 3 -0.364578934139E+03 0.54840E-02 -0.76168E-03 5572 0.182E-01 0.176E-01 RMM: 4 -0.364578929924E+03 0.42146E-05 -0.89858E-04 4651 0.680E-02 0.202E-01 RMM: 5 -0.364578718816E+03 0.21111E-03 -0.24891E-04 3888 0.403E-02 0.128E-01 RMM: 6 -0.364578633139E+03 0.85676E-04 -0.10057E-04 3790 0.277E-02 0.657E-02 RMM: 7 -0.364578677315E+03 -0.44175E-04 -0.71940E-05 3551 0.225E-02 0.110E-01 RMM: 8 -0.364578599077E+03 0.78237E-04 -0.40766E-05 3101 0.201E-02 0.272E-02 RMM: 9 -0.364578597897E+03 0.11803E-05 -0.10104E-05 2466 0.890E-03 5731 T= 6290. E= 0.69086520E+03 F= 0.63882689E+03 E0= 0.66887360E+03 EK= 0.52038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365386117761E+03 -0.80752E+00 -0.19959E-01 9096 0.229E+01 0.219E-01 RMM: 2 -0.365400504596E+03 -0.14387E-01 -0.11191E-01 5404 0.688E-01 0.847E-01 RMM: 3 -0.365394710223E+03 0.57944E-02 -0.74799E-03 5737 0.177E-01 0.195E-01 RMM: 4 -0.365394530437E+03 0.17979E-03 -0.78565E-04 4675 0.625E-02 0.163E-01 RMM: 5 -0.365394417276E+03 0.11316E-03 -0.25969E-04 3913 0.435E-02 0.129E-01 RMM: 6 -0.365394338265E+03 0.79010E-04 -0.11674E-04 3845 0.295E-02 0.774E-02 RMM: 7 -0.365394383507E+03 -0.45241E-04 -0.81900E-05 3634 0.244E-02 0.117E-01 RMM: 8 -0.365394295180E+03 0.88326E-04 -0.42586E-05 3166 0.203E-02 0.280E-02 RMM: 9 -0.365394294654E+03 0.52669E-06 -0.11285E-05 2472 0.943E-03 5732 T= 6450. E= 0.69120048E+03 F= 0.63783879E+03 E0= 0.66790446E+03 EK= 0.53362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366310154319E+03 -0.91586E+00 -0.19509E-01 9096 0.233E+01 0.214E-01 RMM: 2 -0.366324243765E+03 -0.14089E-01 -0.10780E-01 5455 0.676E-01 0.860E-01 RMM: 3 -0.366318400429E+03 0.58433E-02 -0.71792E-03 5710 0.172E-01 0.186E-01 RMM: 4 -0.366318225666E+03 0.17476E-03 -0.73809E-04 4673 0.605E-02 0.154E-01 RMM: 5 -0.366318099955E+03 0.12571E-03 -0.25688E-04 3921 0.436E-02 0.117E-01 RMM: 6 -0.366318063898E+03 0.36056E-04 -0.12301E-04 3874 0.301E-02 0.951E-02 RMM: 7 -0.366318075657E+03 -0.11758E-04 -0.75051E-05 3581 0.234E-02 5733 T= 6614. E= 0.69145600E+03 F= 0.63673990E+03 E0= 0.66682373E+03 EK= 0.54716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367216203808E+03 -0.89814E+00 -0.19125E-01 8940 0.236E+01 0.211E-01 RMM: 2 -0.367228084426E+03 -0.11881E-01 -0.10226E-01 5496 0.656E-01 0.695E-01 RMM: 3 -0.367223977993E+03 0.41064E-02 -0.65386E-03 5876 0.160E-01 0.186E-01 RMM: 4 -0.367223845008E+03 0.13299E-03 -0.70385E-04 4666 0.618E-02 0.183E-01 RMM: 5 -0.367223605284E+03 0.23972E-03 -0.34637E-04 4226 0.504E-02 0.892E-02 RMM: 6 -0.367223744578E+03 -0.13929E-03 -0.19131E-04 3884 0.357E-02 0.174E-01 RMM: 7 -0.367223595271E+03 0.14931E-03 -0.93961E-05 3742 0.282E-02 0.933E-02 RMM: 8 -0.367223541659E+03 0.53612E-04 -0.33084E-05 2998 0.166E-02 0.327E-02 RMM: 9 -0.367223548291E+03 -0.66323E-05 -0.21835E-05 2530 0.131E-02 5734 T= 6708. E= 0.69114748E+03 F= 0.63565606E+03 E0= 0.66575765E+03 EK= 0.55491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367982764266E+03 -0.75922E+00 -0.18561E-01 9012 0.237E+01 0.201E-01 RMM: 2 -0.367995146693E+03 -0.12382E-01 -0.99373E-02 5308 0.669E-01 0.780E-01 RMM: 3 -0.367990466363E+03 0.46803E-02 -0.79432E-03 5836 0.176E-01 0.171E-01 RMM: 4 -0.367990299219E+03 0.16714E-03 -0.65991E-04 4639 0.570E-02 0.154E-01 RMM: 5 -0.367990168636E+03 0.13058E-03 -0.21851E-04 3885 0.411E-02 0.102E-01 RMM: 6 -0.367990143251E+03 0.25384E-04 -0.11397E-04 3824 0.291E-02 0.867E-02 RMM: 7 -0.367990156434E+03 -0.13183E-04 -0.54226E-05 3318 0.206E-02 5735 T= 6683. E= 0.68999018E+03 F= 0.63470662E+03 E0= 0.66482288E+03 EK= 0.55284E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368522204936E+03 -0.53206E+00 -0.17593E-01 8844 0.236E+01 0.236E-01 RMM: 2 -0.368531849376E+03 -0.96444E-02 -0.90477E-02 5410 0.621E-01 0.600E-01 RMM: 3 -0.368528683308E+03 0.31661E-02 -0.63983E-03 6015 0.153E-01 0.176E-01 RMM: 4 -0.368528855983E+03 -0.17268E-03 -0.83733E-04 4644 0.707E-02 0.288E-01 RMM: 5 -0.368528320611E+03 0.53537E-03 -0.41434E-04 4286 0.535E-02 0.923E-02 RMM: 6 -0.368528417534E+03 -0.96923E-04 -0.18047E-04 3882 0.349E-02 0.157E-01 RMM: 7 -0.368528310090E+03 0.10744E-03 -0.83477E-05 3688 0.269E-02 0.960E-02 RMM: 8 -0.368528251423E+03 0.58667E-04 -0.31946E-05 2979 0.166E-02 0.291E-02 RMM: 9 -0.368528259304E+03 -0.78807E-05 -0.17424E-05 2506 0.116E-02 5736 T= 6540. E= 0.68808512E+03 F= 0.63397970E+03 E0= 0.66411055E+03 EK= 0.54105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368784776953E+03 -0.25653E+00 -0.17134E-01 8676 0.233E+01 0.196E-01 RMM: 2 -0.368794554448E+03 -0.97775E-02 -0.88613E-02 5235 0.612E-01 0.595E-01 RMM: 3 -0.368791318294E+03 0.32362E-02 -0.65427E-03 5787 0.159E-01 0.151E-01 RMM: 4 -0.368791397930E+03 -0.79636E-04 -0.65258E-04 4609 0.593E-02 0.222E-01 RMM: 5 -0.368791091584E+03 0.30635E-03 -0.23136E-04 3889 0.411E-02 0.920E-02 RMM: 6 -0.368791071529E+03 0.20055E-04 -0.10663E-04 3754 0.282E-02 0.786E-02 RMM: 7 -0.368791058283E+03 0.13245E-04 -0.37301E-05 3036 0.187E-02 5737 T= 6331. E= 0.68589453E+03 F= 0.63352086E+03 E0= 0.66366457E+03 EK= 0.52374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368764297683E+03 0.26774E-01 -0.16361E-01 8328 0.230E+01 0.260E-01 RMM: 2 -0.368772963193E+03 -0.86655E-02 -0.82233E-02 5298 0.594E-01 0.603E-01 RMM: 3 -0.368769943162E+03 0.30200E-02 -0.62866E-03 5775 0.157E-01 0.204E-01 RMM: 4 -0.368770337170E+03 -0.39401E-03 -0.10334E-03 4634 0.779E-02 0.349E-01 RMM: 5 -0.368769554818E+03 0.78235E-03 -0.45233E-04 4258 0.544E-02 0.913E-02 RMM: 6 -0.368769586744E+03 -0.31925E-04 -0.12893E-04 3876 0.297E-02 0.120E-01 RMM: 7 -0.368769549588E+03 0.37155E-04 -0.68405E-05 3516 0.230E-02 0.102E-01 RMM: 8 -0.368769481520E+03 0.68068E-04 -0.37403E-05 3070 0.185E-02 0.238E-02 RMM: 9 -0.368769487591E+03 -0.60710E-05 -0.13255E-05 2477 0.101E-02 5738 T= 6127. E= 0.68402662E+03 F= 0.63333875E+03 E0= 0.66349598E+03 EK= 0.50688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368471033708E+03 0.29845E+00 -0.16018E-01 8460 0.227E+01 0.213E-01 RMM: 2 -0.368479391778E+03 -0.83581E-02 -0.76036E-02 5176 0.567E-01 0.587E-01 RMM: 3 -0.368476459257E+03 0.29325E-02 -0.57981E-03 5637 0.153E-01 0.163E-01 RMM: 4 -0.368476742877E+03 -0.28362E-03 -0.78979E-04 4637 0.671E-02 0.282E-01 RMM: 5 -0.368476231002E+03 0.51188E-03 -0.28752E-04 3909 0.443E-02 0.839E-02 RMM: 6 -0.368476209788E+03 0.21214E-04 -0.90844E-05 3667 0.263E-02 0.677E-02 RMM: 7 -0.368476215768E+03 -0.59794E-05 -0.33212E-05 2904 0.173E-02 5739 T= 5994. E= 0.68300402E+03 F= 0.63342147E+03 E0= 0.66359392E+03 EK= 0.49583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367925082207E+03 0.55113E+00 -0.15702E-01 8400 0.227E+01 0.260E-01 RMM: 2 -0.367932238228E+03 -0.71560E-02 -0.64353E-02 5261 0.541E-01 0.632E-01 RMM: 3 -0.367929298903E+03 0.29393E-02 -0.52733E-03 5655 0.150E-01 0.207E-01 RMM: 4 -0.367929674094E+03 -0.37519E-03 -0.98342E-04 4624 0.750E-02 0.337E-01 RMM: 5 -0.367928954479E+03 0.71962E-03 -0.42726E-04 4168 0.531E-02 0.987E-02 RMM: 6 -0.367928949051E+03 0.54273E-05 -0.11458E-04 3847 0.285E-02 5740 T= 5969. E= 0.68313575E+03 F= 0.63375324E+03 E0= 0.66394351E+03 EK= 0.49383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367134485535E+03 0.79447E+00 -0.16167E-01 8028 0.228E+01 0.375E-01 RMM: 2 -0.367159774584E+03 -0.25289E-01 -0.73639E-02 5056 0.622E-01 0.176E+00 RMM: 3 -0.367139217464E+03 0.20557E-01 -0.13017E-02 5337 0.278E-01 0.385E-01 RMM: 4 -0.367138334388E+03 0.88308E-03 -0.17604E-03 4708 0.891E-02 0.167E-01 RMM: 5 -0.367138472863E+03 -0.13848E-03 -0.54400E-04 4586 0.603E-02 0.241E-01 RMM: 6 -0.367138129739E+03 0.34312E-03 -0.23581E-04 3898 0.406E-02 0.865E-02 RMM: 7 -0.367138148579E+03 -0.18840E-04 -0.10077E-04 3790 0.270E-02 5741 T= 6063. E= 0.68448023E+03 F= 0.63432622E+03 E0= 0.66453802E+03 EK= 0.50154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366100316534E+03 0.10378E+01 -0.16824E-01 8136 0.232E+01 0.360E-01 RMM: 2 -0.366125419276E+03 -0.25103E-01 -0.69360E-02 5137 0.607E-01 0.177E+00 RMM: 3 -0.366104707938E+03 0.20711E-01 -0.11819E-02 5348 0.266E-01 0.373E-01 RMM: 4 -0.366103855345E+03 0.85259E-03 -0.17128E-03 4695 0.899E-02 0.168E-01 RMM: 5 -0.366104008434E+03 -0.15309E-03 -0.51560E-04 4564 0.594E-02 0.243E-01 RMM: 6 -0.366103641705E+03 0.36673E-03 -0.25157E-04 3898 0.428E-02 0.756E-02 RMM: 7 -0.366103680684E+03 -0.38980E-04 -0.87076E-05 3649 0.254E-02 0.111E-01 RMM: 8 -0.366103604903E+03 0.75781E-04 -0.42743E-05 3179 0.205E-02 0.431E-02 RMM: 9 -0.366103595174E+03 0.97293E-05 -0.12070E-05 2488 0.106E-02 5742 T= 6249. E= 0.68683989E+03 F= 0.63514319E+03 E0= 0.66537817E+03 EK= 0.51697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364813828485E+03 0.12898E+01 -0.18102E-01 8436 0.236E+01 0.261E-01 RMM: 2 -0.364830120267E+03 -0.16292E-01 -0.74345E-02 4981 0.604E-01 0.127E+00 RMM: 3 -0.364819189624E+03 0.10931E-01 -0.82249E-03 5376 0.202E-01 0.217E-01 RMM: 4 -0.364819069694E+03 0.11993E-03 -0.10798E-03 4636 0.713E-02 0.195E-01 RMM: 5 -0.364818917095E+03 0.15260E-03 -0.35797E-04 4309 0.506E-02 0.143E-01 RMM: 6 -0.364818802135E+03 0.11496E-03 -0.14605E-04 3882 0.324E-02 0.623E-02 RMM: 7 -0.364818847993E+03 -0.45858E-04 -0.56762E-05 3356 0.213E-02 0.105E-01 RMM: 8 -0.364818776150E+03 0.71843E-04 -0.31044E-05 2909 0.182E-02 0.318E-02 RMM: 9 -0.364818771252E+03 0.48982E-05 -0.80742E-06 2457 0.833E-03 5743 T= 6474. E= 0.68976679E+03 F= 0.63621245E+03 E0= 0.66647461E+03 EK= 0.53554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363278381255E+03 0.15404E+01 -0.18924E-01 8640 0.241E+01 0.238E-01 RMM: 2 -0.363289460544E+03 -0.11079E-01 -0.75278E-02 5126 0.611E-01 0.899E-01 RMM: 3 -0.363283869998E+03 0.55905E-02 -0.71820E-03 5437 0.181E-01 0.209E-01 RMM: 4 -0.363283739679E+03 0.13032E-03 -0.86848E-04 4641 0.670E-02 0.184E-01 RMM: 5 -0.363283558021E+03 0.18166E-03 -0.38816E-04 4439 0.533E-02 0.131E-01 RMM: 6 -0.363283511978E+03 0.46043E-04 -0.16876E-04 3885 0.341E-02 0.105E-01 RMM: 7 -0.363283529684E+03 -0.17706E-04 -0.86671E-05 3701 0.269E-02 5744 T= 6661. E= 0.69263563E+03 F= 0.63753476E+03 E0= 0.66782525E+03 EK= 0.55101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361514177306E+03 0.17693E+01 -0.19522E-01 8736 0.244E+01 0.258E-01 RMM: 2 -0.361524965459E+03 -0.10788E-01 -0.79315E-02 5207 0.619E-01 0.854E-01 RMM: 3 -0.361519795587E+03 0.51699E-02 -0.70189E-03 5565 0.176E-01 0.211E-01 RMM: 4 -0.361519783515E+03 0.12072E-04 -0.90104E-04 4632 0.696E-02 0.242E-01 RMM: 5 -0.361519443808E+03 0.33971E-03 -0.47487E-04 4545 0.585E-02 0.135E-01 RMM: 6 -0.361519413096E+03 0.30712E-04 -0.19649E-04 3892 0.357E-02 0.121E-01 RMM: 7 -0.361519413655E+03 -0.55839E-06 -0.10745E-04 3868 0.298E-02 5745 T= 6741. E= 0.69485037E+03 F= 0.63908800E+03 E0= 0.66940653E+03 EK= 0.55762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359574915292E+03 0.19445E+01 -0.20169E-01 8796 0.245E+01 0.255E-01 RMM: 2 -0.359587728359E+03 -0.12813E-01 -0.90424E-02 5153 0.656E-01 0.939E-01 RMM: 3 -0.359581505898E+03 0.62225E-02 -0.88794E-03 5448 0.202E-01 0.192E-01 RMM: 4 -0.359581608196E+03 -0.10230E-03 -0.10361E-03 4666 0.725E-02 0.248E-01 RMM: 5 -0.359581288637E+03 0.31956E-03 -0.32042E-04 4009 0.460E-02 0.145E-01 RMM: 6 -0.359581182954E+03 0.10568E-03 -0.16928E-04 3883 0.348E-02 0.814E-02 RMM: 7 -0.359581234177E+03 -0.51223E-04 -0.84380E-05 3670 0.256E-02 0.123E-01 RMM: 8 -0.359581137693E+03 0.96484E-04 -0.38617E-05 3102 0.195E-02 0.344E-02 RMM: 9 -0.359581133819E+03 0.38740E-05 -0.11958E-05 2478 0.970E-03 5746 T= 6684. E= 0.69611431E+03 F= 0.64081609E+03 E0= 0.67115991E+03 EK= 0.55298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357550949412E+03 0.20302E+01 -0.20541E-01 8808 0.243E+01 0.259E-01 RMM: 2 -0.357565676367E+03 -0.14727E-01 -0.96192E-02 5232 0.662E-01 0.104E+00 RMM: 3 -0.357557886651E+03 0.77897E-02 -0.87137E-03 5456 0.198E-01 0.180E-01 RMM: 4 -0.357558112717E+03 -0.22607E-03 -0.10612E-03 4645 0.733E-02 0.277E-01 RMM: 5 -0.357557673927E+03 0.43879E-03 -0.31331E-04 3993 0.450E-02 0.130E-01 RMM: 6 -0.357557578229E+03 0.95698E-04 -0.12970E-04 3867 0.311E-02 0.581E-02 RMM: 7 -0.357557628730E+03 -0.50501E-04 -0.57992E-05 3368 0.210E-02 0.105E-01 RMM: 8 -0.357557556742E+03 0.71988E-04 -0.31039E-05 2861 0.182E-02 0.292E-02 RMM: 9 -0.357557553064E+03 0.36781E-05 -0.84177E-06 2459 0.807E-03 5747 T= 6521. E= 0.69657604E+03 F= 0.64262867E+03 E0= 0.67299338E+03 EK= 0.53947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355548218830E+03 0.20093E+01 -0.20662E-01 8952 0.239E+01 0.290E-01 RMM: 2 -0.355560936558E+03 -0.12718E-01 -0.94871E-02 5379 0.652E-01 0.934E-01 RMM: 3 -0.355554575412E+03 0.63611E-02 -0.76729E-03 5498 0.187E-01 0.207E-01 RMM: 4 -0.355554922228E+03 -0.34682E-03 -0.12562E-03 4645 0.825E-02 0.327E-01 RMM: 5 -0.355554278280E+03 0.64395E-03 -0.40418E-04 4072 0.511E-02 0.143E-01 RMM: 6 -0.355554171570E+03 0.10671E-03 -0.13632E-04 3881 0.313E-02 0.775E-02 RMM: 7 -0.355554228225E+03 -0.56655E-04 -0.93188E-05 3724 0.255E-02 0.126E-01 RMM: 8 -0.355554126995E+03 0.10123E-03 -0.48387E-05 3255 0.211E-02 0.364E-02 RMM: 9 -0.355554121546E+03 0.54484E-05 -0.13158E-05 2487 0.103E-02 5748 T= 6323. E= 0.69672484E+03 F= 0.64441940E+03 E0= 0.67479938E+03 EK= 0.52305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353671073585E+03 0.18831E+01 -0.20535E-01 8964 0.236E+01 0.289E-01 RMM: 2 -0.353684713096E+03 -0.13640E-01 -0.95671E-02 5453 0.652E-01 0.994E-01 RMM: 3 -0.353677457751E+03 0.72553E-02 -0.71481E-03 5577 0.179E-01 0.210E-01 RMM: 4 -0.353677866311E+03 -0.40856E-03 -0.12500E-03 4639 0.833E-02 0.344E-01 RMM: 5 -0.353677136391E+03 0.72992E-03 -0.39151E-04 4015 0.499E-02 0.126E-01 RMM: 6 -0.353677056176E+03 0.80215E-04 -0.11937E-04 3824 0.296E-02 0.698E-02 RMM: 7 -0.353677111947E+03 -0.55770E-04 -0.75155E-05 3593 0.229E-02 0.121E-01 RMM: 8 -0.353677016646E+03 0.95300E-04 -0.43539E-05 3143 0.203E-02 0.312E-02 RMM: 9 -0.353677014906E+03 0.17403E-05 -0.12240E-05 2480 0.979E-03 5749 T= 6170. E= 0.69712184E+03 F= 0.64608216E+03 E0= 0.67647153E+03 EK= 0.51040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352008678635E+03 0.16683E+01 -0.20124E-01 9036 0.234E+01 0.290E-01 RMM: 2 -0.352023352284E+03 -0.14674E-01 -0.94510E-02 5522 0.646E-01 0.108E+00 RMM: 3 -0.352014878669E+03 0.84736E-02 -0.70598E-03 5445 0.182E-01 0.193E-01 RMM: 4 -0.352015316284E+03 -0.43762E-03 -0.13361E-03 4655 0.860E-02 0.334E-01 RMM: 5 -0.352014667260E+03 0.64902E-03 -0.35602E-04 3902 0.467E-02 0.150E-01 RMM: 6 -0.352014535465E+03 0.13180E-03 -0.12344E-04 3867 0.301E-02 0.625E-02 RMM: 7 -0.352014580972E+03 -0.45507E-04 -0.80729E-05 3632 0.241E-02 0.111E-01 RMM: 8 -0.352014500817E+03 0.80155E-04 -0.40484E-05 3118 0.196E-02 0.245E-02 RMM: 9 -0.352014502289E+03 -0.14721E-05 -0.11454E-05 2473 0.951E-03 5750 T= 6122. E= 0.69817421E+03 F= 0.64752978E+03 E0= 0.67792322E+03 EK= 0.50644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350620637222E+03 0.13939E+01 -0.19466E-01 8832 0.233E+01 0.272E-01 RMM: 2 -0.350632945078E+03 -0.12308E-01 -0.95933E-02 5479 0.652E-01 0.867E-01 RMM: 3 -0.350627189386E+03 0.57557E-02 -0.69010E-03 5648 0.174E-01 0.207E-01 RMM: 4 -0.350627490936E+03 -0.30155E-03 -0.11194E-03 4634 0.787E-02 0.319E-01 RMM: 5 -0.350626894123E+03 0.59681E-03 -0.36574E-04 4012 0.485E-02 0.133E-01 RMM: 6 -0.350626797630E+03 0.96494E-04 -0.11701E-04 3805 0.295E-02 0.672E-02 RMM: 7 -0.350626852715E+03 -0.55085E-04 -0.82625E-05 3642 0.242E-02 0.119E-01 RMM: 8 -0.350626762870E+03 0.89845E-04 -0.42385E-05 3145 0.202E-02 0.339E-02 RMM: 9 -0.350626758318E+03 0.45529E-05 -0.11390E-05 2482 0.951E-03 5751 T= 6203. E= 0.70002042E+03 F= 0.64870375E+03 E0= 0.67909626E+03 EK= 0.51317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349538889244E+03 0.10879E+01 -0.19238E-01 8700 0.235E+01 0.288E-01 RMM: 2 -0.349555293495E+03 -0.16404E-01 -0.98553E-02 5446 0.677E-01 0.117E+00 RMM: 3 -0.349545713891E+03 0.95796E-02 -0.81515E-03 5598 0.192E-01 0.195E-01 RMM: 4 -0.349545878299E+03 -0.16441E-03 -0.12197E-03 4633 0.805E-02 0.277E-01 RMM: 5 -0.349545472211E+03 0.40609E-03 -0.33193E-04 3947 0.462E-02 0.157E-01 RMM: 6 -0.349545338489E+03 0.13372E-03 -0.14346E-04 3871 0.329E-02 0.732E-02 RMM: 7 -0.349545395544E+03 -0.57055E-04 -0.94336E-05 3684 0.257E-02 0.122E-01 RMM: 8 -0.349545298760E+03 0.96784E-04 -0.49696E-05 3276 0.216E-02 0.351E-02 RMM: 9 -0.349545293836E+03 0.49235E-05 -0.10901E-05 2478 0.940E-03 5752 T= 6396. E= 0.70248592E+03 F= 0.64957412E+03 E0= 0.67996141E+03 EK= 0.52912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348768129363E+03 0.77717E+00 -0.19813E-01 8508 0.238E+01 0.261E-01 RMM: 2 -0.348782864333E+03 -0.14735E-01 -0.10432E-01 5401 0.696E-01 0.988E-01 RMM: 3 -0.348775758357E+03 0.71060E-02 -0.81315E-03 5593 0.189E-01 0.216E-01 RMM: 4 -0.348775749351E+03 0.90057E-05 -0.10506E-03 4646 0.743E-02 0.245E-01 RMM: 5 -0.348775448386E+03 0.30096E-03 -0.34057E-04 4086 0.483E-02 0.147E-01 RMM: 6 -0.348775333018E+03 0.11537E-03 -0.14712E-04 3874 0.330E-02 0.737E-02 RMM: 7 -0.348775392776E+03 -0.59758E-04 -0.87191E-05 3644 0.252E-02 0.126E-01 RMM: 8 -0.348775293008E+03 0.99769E-04 -0.44180E-05 3191 0.206E-02 0.356E-02 RMM: 9 -0.348775287947E+03 0.50608E-05 -0.11680E-05 2477 0.965E-03 5753 T= 6641. E= 0.70507571E+03 F= 0.65013643E+03 E0= 0.68051455E+03 EK= 0.54939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348291700527E+03 0.48359E+00 -0.20023E-01 8220 0.241E+01 0.296E-01 RMM: 2 -0.348311546870E+03 -0.19846E-01 -0.10524E-01 5346 0.728E-01 0.134E+00 RMM: 3 -0.348299364342E+03 0.12183E-01 -0.10023E-02 5523 0.217E-01 0.231E-01 RMM: 4 -0.348299190498E+03 0.17384E-03 -0.12443E-03 4643 0.784E-02 0.208E-01 RMM: 5 -0.348299024535E+03 0.16596E-03 -0.33631E-04 4120 0.481E-02 0.170E-01 RMM: 6 -0.348298871194E+03 0.15334E-03 -0.16342E-04 3884 0.346E-02 0.799E-02 RMM: 7 -0.348298935497E+03 -0.64303E-04 -0.10990E-04 3803 0.280E-02 0.131E-01 RMM: 8 -0.348298824781E+03 0.11072E-03 -0.57515E-05 3373 0.228E-02 0.341E-02 RMM: 9 -0.348298821538E+03 0.32429E-05 -0.12033E-05 2486 0.996E-03 5754 T= 6848. E= 0.70706268E+03 F= 0.65040808E+03 E0= 0.68077336E+03 EK= 0.56655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348077146646E+03 0.22168E+00 -0.19613E-01 8124 0.242E+01 0.276E-01 RMM: 2 -0.348094438977E+03 -0.17292E-01 -0.10292E-01 5377 0.717E-01 0.118E+00 RMM: 3 -0.348084747744E+03 0.96912E-02 -0.89567E-03 5520 0.205E-01 0.250E-01 RMM: 4 -0.348084514416E+03 0.23333E-03 -0.11194E-03 4655 0.750E-02 0.203E-01 RMM: 5 -0.348084348394E+03 0.16602E-03 -0.36580E-04 4313 0.511E-02 0.159E-01 RMM: 6 -0.348084217246E+03 0.13115E-03 -0.16967E-04 3884 0.347E-02 0.816E-02 RMM: 7 -0.348084292603E+03 -0.75356E-04 -0.10171E-04 3769 0.271E-02 0.138E-01 RMM: 8 -0.348084169840E+03 0.12276E-03 -0.53424E-05 3329 0.220E-02 0.384E-02 RMM: 9 -0.348084164409E+03 0.54313E-05 -0.13025E-05 2495 0.103E-02 5755 T= 6930. E= 0.70775267E+03 F= 0.65041903E+03 E0= 0.68076814E+03 EK= 0.57334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348086202042E+03 -0.20322E-02 -0.18995E-01 8364 0.241E+01 0.277E-01 RMM: 2 -0.348103181771E+03 -0.16980E-01 -0.10000E-01 5305 0.708E-01 0.118E+00 RMM: 3 -0.348093538087E+03 0.96437E-02 -0.91366E-03 5561 0.207E-01 0.210E-01 RMM: 4 -0.348093462775E+03 0.75312E-04 -0.10858E-03 4663 0.747E-02 0.218E-01 RMM: 5 -0.348093237684E+03 0.22509E-03 -0.32668E-04 4132 0.480E-02 0.156E-01 RMM: 6 -0.348093122997E+03 0.11469E-03 -0.15669E-04 3884 0.339E-02 0.876E-02 RMM: 7 -0.348093179227E+03 -0.56230E-04 -0.10426E-04 3835 0.276E-02 0.131E-01 RMM: 8 -0.348093067050E+03 0.11218E-03 -0.56010E-05 3352 0.224E-02 0.315E-02 RMM: 9 -0.348093066275E+03 0.77493E-06 -0.13275E-05 2491 0.105E-02 5756 T= 6848. E= 0.70685299E+03 F= 0.65020493E+03 E0= 0.68053543E+03 EK= 0.56648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348281812756E+03 -0.18875E+00 -0.18533E-01 8256 0.238E+01 0.273E-01 RMM: 2 -0.348298062425E+03 -0.16250E-01 -0.97207E-02 5243 0.697E-01 0.114E+00 RMM: 3 -0.348288920296E+03 0.91421E-02 -0.88326E-03 5543 0.207E-01 0.247E-01 RMM: 4 -0.348288759204E+03 0.16109E-03 -0.11087E-03 4657 0.767E-02 0.219E-01 RMM: 5 -0.348288559450E+03 0.19975E-03 -0.36425E-04 4322 0.506E-02 0.161E-01 RMM: 6 -0.348288417930E+03 0.14152E-03 -0.15105E-04 3881 0.331E-02 0.764E-02 RMM: 7 -0.348288485619E+03 -0.67689E-04 -0.97761E-05 3729 0.265E-02 0.131E-01 RMM: 8 -0.348288376344E+03 0.10927E-03 -0.52454E-05 3312 0.221E-02 0.362E-02 RMM: 9 -0.348288371510E+03 0.48341E-05 -0.11654E-05 2483 0.983E-03 5757 T= 6632. E= 0.70466394E+03 F= 0.64980024E+03 E0= 0.68011051E+03 EK= 0.54864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348632432877E+03 -0.34406E+00 -0.17622E-01 8268 0.233E+01 0.263E-01 RMM: 2 -0.348644686613E+03 -0.12254E-01 -0.90463E-02 5323 0.653E-01 0.893E-01 RMM: 3 -0.348638806337E+03 0.58803E-02 -0.76166E-03 5518 0.191E-01 0.199E-01 RMM: 4 -0.348638997426E+03 -0.19109E-03 -0.10231E-03 4657 0.753E-02 0.279E-01 RMM: 5 -0.348638563695E+03 0.43373E-03 -0.34671E-04 4137 0.482E-02 0.147E-01 RMM: 6 -0.348638459788E+03 0.10391E-03 -0.14351E-04 3889 0.327E-02 0.833E-02 RMM: 7 -0.348638517182E+03 -0.57394E-04 -0.93998E-05 3770 0.262E-02 0.128E-01 RMM: 8 -0.348638410001E+03 0.10718E-03 -0.51976E-05 3285 0.219E-02 0.350E-02 RMM: 9 -0.348638405624E+03 0.43771E-05 -0.13218E-05 2490 0.106E-02 5758 T= 6367. E= 0.70190932E+03 F= 0.64923459E+03 E0= 0.67952465E+03 EK= 0.52675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349106856070E+03 -0.46845E+00 -0.17035E-01 8340 0.229E+01 0.280E-01 RMM: 2 -0.349122640185E+03 -0.15784E-01 -0.91425E-02 5244 0.671E-01 0.114E+00 RMM: 3 -0.349113318419E+03 0.93218E-02 -0.83064E-03 5497 0.198E-01 0.219E-01 RMM: 4 -0.349113439439E+03 -0.12102E-03 -0.12250E-03 4698 0.826E-02 0.277E-01 RMM: 5 -0.349113046820E+03 0.39262E-03 -0.37654E-04 4268 0.503E-02 0.162E-01 RMM: 6 -0.349112895917E+03 0.15090E-03 -0.14110E-04 3879 0.320E-02 0.699E-02 RMM: 7 -0.349112947858E+03 -0.51940E-04 -0.89054E-05 3654 0.253E-02 0.118E-01 RMM: 8 -0.349112860566E+03 0.87292E-04 -0.46502E-05 3228 0.212E-02 0.361E-02 RMM: 9 -0.349112855704E+03 0.48612E-05 -0.11055E-05 2475 0.953E-03 5759 T= 6145. E= 0.69937312E+03 F= 0.64853750E+03 E0= 0.67880855E+03 EK= 0.50836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349676524560E+03 -0.56366E+00 -0.16478E-01 8304 0.227E+01 0.273E-01 RMM: 2 -0.349688075022E+03 -0.11550E-01 -0.85521E-02 5337 0.640E-01 0.885E-01 RMM: 3 -0.349682503813E+03 0.55712E-02 -0.72769E-03 5552 0.184E-01 0.230E-01 RMM: 4 -0.349682640087E+03 -0.13627E-03 -0.10529E-03 4654 0.766E-02 0.287E-01 RMM: 5 -0.349682216007E+03 0.42408E-03 -0.37217E-04 4212 0.497E-02 0.167E-01 RMM: 6 -0.349682055263E+03 0.16074E-03 -0.17804E-04 3892 0.362E-02 0.721E-02 RMM: 7 -0.349682120577E+03 -0.65315E-04 -0.87539E-05 3700 0.257E-02 0.126E-01 RMM: 8 -0.349682017807E+03 0.10277E-03 -0.43714E-05 3186 0.204E-02 0.368E-02 RMM: 9 -0.349682012040E+03 0.57671E-05 -0.13206E-05 2481 0.105E-02 5760 T= 6030. E= 0.69762133E+03 F= 0.64773934E+03 E0= 0.67799390E+03 EK= 0.49882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350305636502E+03 -0.62362E+00 -0.16536E-01 8316 0.227E+01 0.276E-01 RMM: 2 -0.350320283968E+03 -0.14647E-01 -0.84632E-02 5343 0.639E-01 0.110E+00 RMM: 3 -0.350311447059E+03 0.88369E-02 -0.73645E-03 5501 0.185E-01 0.198E-01 RMM: 4 -0.350311670304E+03 -0.22325E-03 -0.11799E-03 4638 0.813E-02 0.293E-01 RMM: 5 -0.350311225589E+03 0.44472E-03 -0.40031E-04 4345 0.526E-02 0.162E-01 RMM: 6 -0.350311079004E+03 0.14658E-03 -0.14707E-04 3880 0.318E-02 0.724E-02 RMM: 7 -0.350311098248E+03 -0.19244E-04 -0.72382E-05 3559 0.240E-02 5761 T= 6048. E= 0.69690606E+03 F= 0.64687668E+03 E0= 0.67711826E+03 EK= 0.50029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350944344378E+03 -0.63327E+00 -0.17018E-01 8520 0.229E+01 0.272E-01 RMM: 2 -0.350956091338E+03 -0.11747E-01 -0.85641E-02 5380 0.637E-01 0.894E-01 RMM: 3 -0.350950359287E+03 0.57321E-02 -0.67817E-03 5575 0.174E-01 0.218E-01 RMM: 4 -0.350950498323E+03 -0.13904E-03 -0.11246E-03 4645 0.809E-02 0.288E-01 RMM: 5 -0.350950027217E+03 0.47111E-03 -0.49346E-04 4479 0.587E-02 0.148E-01 RMM: 6 -0.350949960604E+03 0.66612E-04 -0.18637E-04 3885 0.350E-02 0.113E-01 RMM: 7 -0.350949958943E+03 0.16611E-05 -0.97055E-05 3781 0.288E-02 5762 T= 6185. E= 0.69717255E+03 F= 0.64600193E+03 E0= 0.67623515E+03 EK= 0.51171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351526778571E+03 -0.57682E+00 -0.17970E-01 8748 0.233E+01 0.280E-01 RMM: 2 -0.351543112280E+03 -0.16334E-01 -0.97573E-02 5288 0.699E-01 0.116E+00 RMM: 3 -0.351533929796E+03 0.91825E-02 -0.89090E-03 5563 0.200E-01 0.244E-01 RMM: 4 -0.351533697055E+03 0.23274E-03 -0.11562E-03 4658 0.789E-02 0.209E-01 RMM: 5 -0.351533571711E+03 0.12534E-03 -0.49368E-04 4571 0.598E-02 0.189E-01 RMM: 6 -0.351533388706E+03 0.18301E-03 -0.21831E-04 3896 0.387E-02 0.956E-02 RMM: 7 -0.351533459389E+03 -0.70684E-04 -0.12839E-04 3878 0.312E-02 0.143E-01 RMM: 8 -0.351533328305E+03 0.13108E-03 -0.62849E-05 3458 0.236E-02 0.434E-02 RMM: 9 -0.351533320872E+03 0.74328E-05 -0.13260E-05 2511 0.106E-02 5763 T= 6395. E= 0.69808259E+03 F= 0.64518226E+03 E0= 0.67540973E+03 EK= 0.52900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351978142647E+03 -0.44481E+00 -0.19431E-01 8688 0.238E+01 0.245E-01 RMM: 2 -0.351994228189E+03 -0.16086E-01 -0.11049E-01 5298 0.722E-01 0.103E+00 RMM: 3 -0.351986666647E+03 0.75615E-02 -0.94249E-03 5575 0.198E-01 0.197E-01 RMM: 4 -0.351986563175E+03 0.10347E-03 -0.93872E-04 4716 0.691E-02 0.210E-01 RMM: 5 -0.351986331660E+03 0.23152E-03 -0.41679E-04 4514 0.566E-02 0.132E-01 RMM: 6 -0.351986275772E+03 0.55888E-04 -0.20694E-04 3888 0.374E-02 0.101E-01 RMM: 7 -0.351986303229E+03 -0.27457E-04 -0.82409E-05 3628 0.263E-02 0.122E-01 RMM: 8 -0.351986204748E+03 0.98481E-04 -0.42128E-05 3176 0.196E-02 0.279E-02 RMM: 9 -0.351986204907E+03 -0.15942E-06 -0.10673E-05 2477 0.924E-03 5764 T= 6598. E= 0.69907896E+03 F= 0.64449346E+03 E0= 0.67472012E+03 EK= 0.54586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352230067226E+03 -0.24386E+00 -0.20424E-01 8544 0.242E+01 0.284E-01 RMM: 2 -0.352248546162E+03 -0.18479E-01 -0.12301E-01 5243 0.778E-01 0.115E+00 RMM: 3 -0.352239448345E+03 0.90978E-02 -0.11633E-02 5688 0.221E-01 0.248E-01 RMM: 4 -0.352239112636E+03 0.33571E-03 -0.11758E-03 4712 0.786E-02 0.200E-01 RMM: 5 -0.352238960928E+03 0.15171E-03 -0.52615E-04 4584 0.630E-02 0.175E-01 RMM: 6 -0.352238836929E+03 0.12400E-03 -0.22091E-04 3880 0.385E-02 0.115E-01 RMM: 7 -0.352238859810E+03 -0.22881E-04 -0.13982E-04 3888 0.332E-02 0.133E-01 RMM: 8 -0.352238747804E+03 0.11201E-03 -0.65501E-05 3443 0.238E-02 0.400E-02 RMM: 9 -0.352238745018E+03 0.27855E-05 -0.15784E-05 2516 0.114E-02 5765 T= 6715. E= 0.69955938E+03 F= 0.64400494E+03 E0= 0.67423425E+03 EK= 0.55554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352240132421E+03 -0.13846E-02 -0.20867E-01 8820 0.243E+01 0.276E-01 RMM: 2 -0.352258775495E+03 -0.18643E-01 -0.11761E-01 5352 0.734E-01 0.116E+00 RMM: 3 -0.352248802375E+03 0.99731E-02 -0.94508E-03 5534 0.207E-01 0.234E-01 RMM: 4 -0.352248628555E+03 0.17382E-03 -0.11516E-03 4690 0.765E-02 0.214E-01 RMM: 5 -0.352248411566E+03 0.21699E-03 -0.48591E-04 4562 0.604E-02 0.158E-01 RMM: 6 -0.352248315576E+03 0.95990E-04 -0.20194E-04 3880 0.367E-02 0.109E-01 RMM: 7 -0.352248357572E+03 -0.41996E-04 -0.12422E-04 3879 0.307E-02 0.138E-01 RMM: 8 -0.352248233741E+03 0.12383E-03 -0.64405E-05 3464 0.237E-02 0.406E-02 RMM: 9 -0.352248228449E+03 0.52916E-05 -0.14230E-05 2507 0.108E-02 5766 T= 6696. E= 0.69915226E+03 F= 0.64375793E+03 E0= 0.67399191E+03 EK= 0.55394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352010086374E+03 0.23815E+00 -0.20982E-01 8928 0.242E+01 0.276E-01 RMM: 2 -0.352026400858E+03 -0.16314E-01 -0.11824E-01 5389 0.720E-01 0.102E+00 RMM: 3 -0.352018561220E+03 0.78396E-02 -0.88020E-03 5618 0.197E-01 0.225E-01 RMM: 4 -0.352018573868E+03 -0.12648E-04 -0.12195E-03 4700 0.817E-02 0.264E-01 RMM: 5 -0.352018239273E+03 0.33460E-03 -0.45733E-04 4512 0.565E-02 0.173E-01 RMM: 6 -0.352018088984E+03 0.15029E-03 -0.20501E-04 3877 0.368E-02 0.945E-02 RMM: 7 -0.352018153104E+03 -0.64120E-04 -0.11998E-04 3877 0.301E-02 0.138E-01 RMM: 8 -0.352018025265E+03 0.12784E-03 -0.59519E-05 3395 0.230E-02 0.345E-02 RMM: 9 -0.352018022784E+03 0.24810E-05 -0.14026E-05 2503 0.106E-02 5767 T= 6549. E= 0.69792682E+03 F= 0.64374721E+03 E0= 0.67398662E+03 EK= 0.54180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351594623321E+03 0.42340E+00 -0.20448E-01 8652 0.238E+01 0.300E-01 RMM: 2 -0.351612657674E+03 -0.18034E-01 -0.12481E-01 5460 0.726E-01 0.109E+00 RMM: 3 -0.351603353084E+03 0.93046E-02 -0.93284E-03 5508 0.203E-01 0.230E-01 RMM: 4 -0.351603498263E+03 -0.14518E-03 -0.14383E-03 4751 0.888E-02 0.304E-01 RMM: 5 -0.351602989271E+03 0.50899E-03 -0.45466E-04 4384 0.549E-02 0.163E-01 RMM: 6 -0.351602852400E+03 0.13687E-03 -0.15834E-04 3880 0.329E-02 0.865E-02 RMM: 7 -0.351602913043E+03 -0.60643E-04 -0.12223E-04 3877 0.291E-02 0.133E-01 RMM: 8 -0.351602798633E+03 0.11441E-03 -0.64085E-05 3448 0.238E-02 0.406E-02 RMM: 9 -0.351602791222E+03 0.74115E-05 -0.12640E-05 2495 0.101E-02 5768 T= 6338. E= 0.69635159E+03 F= 0.64391673E+03 E0= 0.67416113E+03 EK= 0.52435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351092717164E+03 0.51008E+00 -0.19745E-01 8916 0.234E+01 0.309E-01 RMM: 2 -0.351107553027E+03 -0.14836E-01 -0.11830E-01 5515 0.701E-01 0.927E-01 RMM: 3 -0.351100620796E+03 0.69322E-02 -0.79739E-03 5508 0.192E-01 0.245E-01 RMM: 4 -0.351101029789E+03 -0.40899E-03 -0.14726E-03 4687 0.901E-02 0.361E-01 RMM: 5 -0.351100253321E+03 0.77647E-03 -0.47099E-04 4326 0.542E-02 0.161E-01 RMM: 6 -0.351100109205E+03 0.14412E-03 -0.17562E-04 3880 0.348E-02 0.822E-02 RMM: 7 -0.351100184966E+03 -0.75761E-04 -0.11336E-04 3881 0.279E-02 0.139E-01 RMM: 8 -0.351100057825E+03 0.12714E-03 -0.61041E-05 3401 0.230E-02 0.384E-02 RMM: 9 -0.351100052442E+03 0.53835E-05 -0.16367E-05 2520 0.116E-02 5769 T= 6149. E= 0.69503673E+03 F= 0.64416870E+03 E0= 0.67441587E+03 EK= 0.50868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350624414533E+03 0.47564E+00 -0.20087E-01 8892 0.231E+01 0.335E-01 RMM: 2 -0.350643692463E+03 -0.19278E-01 -0.12402E-01 5381 0.738E-01 0.121E+00 RMM: 3 -0.350632789564E+03 0.10903E-01 -0.99912E-03 5433 0.217E-01 0.251E-01 RMM: 4 -0.350633174138E+03 -0.38457E-03 -0.18806E-03 4840 0.101E-01 0.363E-01 RMM: 5 -0.350632392830E+03 0.78131E-03 -0.53852E-04 4538 0.587E-02 0.160E-01 RMM: 6 -0.350632253230E+03 0.13960E-03 -0.14122E-04 3880 0.305E-02 0.774E-02 RMM: 7 -0.350632307928E+03 -0.54698E-04 -0.10863E-04 3857 0.268E-02 0.126E-01 RMM: 8 -0.350632206884E+03 0.10104E-03 -0.56526E-05 3342 0.222E-02 0.384E-02 RMM: 9 -0.350632202798E+03 0.40866E-05 -0.14030E-05 2504 0.105E-02 5770 T= 6055. E= 0.69447073E+03 F= 0.64438180E+03 E0= 0.67462890E+03 EK= 0.50089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350317027321E+03 0.31518E+00 -0.19829E-01 8916 0.230E+01 0.323E-01 RMM: 2 -0.350332435824E+03 -0.15409E-01 -0.11621E-01 5471 0.712E-01 0.982E-01 RMM: 3 -0.350324854102E+03 0.75817E-02 -0.85942E-03 5433 0.201E-01 0.266E-01 RMM: 4 -0.350325161673E+03 -0.30757E-03 -0.15408E-03 4685 0.911E-02 0.353E-01 RMM: 5 -0.350324460086E+03 0.70159E-03 -0.47683E-04 4387 0.543E-02 0.179E-01 RMM: 6 -0.350324266340E+03 0.19375E-03 -0.18383E-04 3882 0.360E-02 0.725E-02 RMM: 7 -0.350324350493E+03 -0.84153E-04 -0.10566E-04 3865 0.269E-02 0.140E-01 RMM: 8 -0.350324225019E+03 0.12547E-03 -0.53012E-05 3306 0.216E-02 0.370E-02 RMM: 9 -0.350324221631E+03 0.33877E-05 -0.16545E-05 2517 0.116E-02 5771 T= 6097. E= 0.69487470E+03 F= 0.64443322E+03 E0= 0.67467664E+03 EK= 0.50441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350264103643E+03 0.60121E-01 -0.20220E-01 8868 0.231E+01 0.306E-01 RMM: 2 -0.350280760392E+03 -0.16657E-01 -0.11623E-01 5384 0.716E-01 0.106E+00 RMM: 3 -0.350272183885E+03 0.85765E-02 -0.86926E-03 5476 0.200E-01 0.228E-01 RMM: 4 -0.350272486698E+03 -0.30281E-03 -0.14972E-03 4714 0.911E-02 0.334E-01 RMM: 5 -0.350271875664E+03 0.61103E-03 -0.47502E-04 4437 0.559E-02 0.177E-01 RMM: 6 -0.350271707293E+03 0.16837E-03 -0.17644E-04 3882 0.344E-02 0.810E-02 RMM: 7 -0.350271768687E+03 -0.61394E-04 -0.10069E-04 3772 0.267E-02 0.131E-01 RMM: 8 -0.350271657353E+03 0.11133E-03 -0.52553E-05 3317 0.218E-02 0.320E-02 RMM: 9 -0.350271657292E+03 0.60614E-07 -0.13267E-05 2498 0.103E-02 5772 T= 6276. E= 0.69615106E+03 F= 0.64422977E+03 E0= 0.67446615E+03 EK= 0.51921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350501349424E+03 -0.22969E+00 -0.21476E-01 8904 0.234E+01 0.286E-01 RMM: 2 -0.350518384545E+03 -0.17035E-01 -0.12200E-01 5388 0.730E-01 0.102E+00 RMM: 3 -0.350510008623E+03 0.83759E-02 -0.84747E-03 5452 0.197E-01 0.219E-01 RMM: 4 -0.350510127131E+03 -0.11851E-03 -0.12997E-03 4679 0.843E-02 0.284E-01 RMM: 5 -0.350509715605E+03 0.41153E-03 -0.46651E-04 4544 0.565E-02 0.174E-01 RMM: 6 -0.350509559376E+03 0.15623E-03 -0.20397E-04 3882 0.368E-02 0.914E-02 RMM: 7 -0.350509640278E+03 -0.80902E-04 -0.10978E-04 3775 0.285E-02 0.149E-01 RMM: 8 -0.350509498109E+03 0.14217E-03 -0.55334E-05 3347 0.224E-02 0.304E-02 RMM: 9 -0.350509499437E+03 -0.13284E-05 -0.13468E-05 2507 0.102E-02 5773 T= 6542. E= 0.69785972E+03 F= 0.64373811E+03 E0= 0.67396383E+03 EK= 0.54122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350990359245E+03 -0.48086E+00 -0.23342E-01 8928 0.239E+01 0.273E-01 RMM: 2 -0.351010232881E+03 -0.19874E-01 -0.14619E-01 5413 0.796E-01 0.106E+00 RMM: 3 -0.351001316453E+03 0.89164E-02 -0.10232E-02 5467 0.213E-01 0.224E-01 RMM: 4 -0.351001240668E+03 0.75785E-04 -0.12775E-03 4707 0.815E-02 0.244E-01 RMM: 5 -0.351000917200E+03 0.32347E-03 -0.47695E-04 4533 0.584E-02 0.156E-01 RMM: 6 -0.351000855792E+03 0.61408E-04 -0.22024E-04 3884 0.381E-02 0.125E-01 RMM: 7 -0.351000855912E+03 -0.12050E-06 -0.10736E-04 3840 0.294E-02 5774 T= 6801. E= 0.69925601E+03 F= 0.64299524E+03 E0= 0.67320703E+03 EK= 0.56261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351644646618E+03 -0.64379E+00 -0.24925E-01 8976 0.242E+01 0.295E-01 RMM: 2 -0.351664392432E+03 -0.19746E-01 -0.16242E-01 5597 0.831E-01 0.933E-01 RMM: 3 -0.351656840500E+03 0.75519E-02 -0.10278E-02 5603 0.209E-01 0.244E-01 RMM: 4 -0.351656749754E+03 0.90746E-04 -0.12745E-03 4712 0.822E-02 0.267E-01 RMM: 5 -0.351656315898E+03 0.43386E-03 -0.60402E-04 4597 0.662E-02 0.154E-01 RMM: 6 -0.351656366427E+03 -0.50528E-04 -0.29376E-04 3918 0.435E-02 0.183E-01 RMM: 7 -0.351656296090E+03 0.70337E-04 -0.18368E-04 3890 0.379E-02 0.153E-01 RMM: 8 -0.351656149301E+03 0.14679E-03 -0.90836E-05 3626 0.271E-02 0.431E-02 RMM: 9 -0.351656158741E+03 -0.94400E-05 -0.25144E-05 2707 0.143E-02 5775 T= 6942. E= 0.69951902E+03 F= 0.64208901E+03 E0= 0.67228378E+03 EK= 0.57430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352364517543E+03 -0.70837E+00 -0.26724E-01 8964 0.242E+01 0.277E-01 RMM: 2 -0.352389286154E+03 -0.24769E-01 -0.17769E-01 5561 0.864E-01 0.119E+00 RMM: 3 -0.352378316330E+03 0.10970E-01 -0.11581E-02 5436 0.231E-01 0.241E-01 RMM: 4 -0.352378112020E+03 0.20431E-03 -0.13192E-03 4733 0.792E-02 0.213E-01 RMM: 5 -0.352377841515E+03 0.27051E-03 -0.43383E-04 4508 0.563E-02 0.130E-01 RMM: 6 -0.352377824944E+03 0.16570E-04 -0.22348E-04 3892 0.390E-02 0.125E-01 RMM: 7 -0.352377872172E+03 -0.47227E-04 -0.11043E-04 3820 0.284E-02 0.153E-01 RMM: 8 -0.352377721902E+03 0.15027E-03 -0.68500E-05 3491 0.240E-02 0.345E-02 RMM: 9 -0.352377720071E+03 0.18315E-05 -0.13607E-05 2500 0.105E-02 5776 T= 6897. E= 0.69817136E+03 F= 0.64111406E+03 E0= 0.67128916E+03 EK= 0.57057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353089087850E+03 -0.71137E+00 -0.26682E-01 8820 0.240E+01 0.298E-01 RMM: 2 -0.353109340356E+03 -0.20253E-01 -0.17165E-01 5757 0.824E-01 0.904E-01 RMM: 3 -0.353102046174E+03 0.72942E-02 -0.96193E-03 5473 0.210E-01 0.236E-01 RMM: 4 -0.353102257102E+03 -0.21093E-03 -0.14848E-03 4780 0.912E-02 0.325E-01 RMM: 5 -0.353101594267E+03 0.66283E-03 -0.58846E-04 4588 0.630E-02 0.139E-01 RMM: 6 -0.353101623277E+03 -0.29009E-04 -0.21071E-04 3881 0.367E-02 0.158E-01 RMM: 7 -0.353101528356E+03 0.94920E-04 -0.11707E-04 3878 0.312E-02 0.109E-01 RMM: 8 -0.353101453994E+03 0.74362E-04 -0.42210E-05 3177 0.191E-02 0.332E-02 RMM: 9 -0.353101463054E+03 -0.90604E-05 -0.21024E-05 2544 0.130E-02 5777 T= 6681. E= 0.69540303E+03 F= 0.64013090E+03 E0= 0.67028468E+03 EK= 0.55272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353804018019E+03 -0.70256E+00 -0.26898E-01 8748 0.235E+01 0.305E-01 RMM: 2 -0.353825653029E+03 -0.21635E-01 -0.17311E-01 5501 0.840E-01 0.102E+00 RMM: 3 -0.353817101523E+03 0.85515E-02 -0.11138E-02 5511 0.224E-01 0.256E-01 RMM: 4 -0.353817156260E+03 -0.54737E-04 -0.14926E-03 4793 0.901E-02 0.302E-01 RMM: 5 -0.353816656143E+03 0.50012E-03 -0.50491E-04 4488 0.575E-02 0.170E-01 RMM: 6 -0.353816525803E+03 0.13034E-03 -0.20819E-04 3884 0.374E-02 0.103E-01 RMM: 7 -0.353816606651E+03 -0.80848E-04 -0.12802E-04 3880 0.306E-02 0.153E-01 RMM: 8 -0.353816453088E+03 0.15356E-03 -0.68118E-05 3508 0.243E-02 0.348E-02 RMM: 9 -0.353816450751E+03 0.23370E-05 -0.13474E-05 2506 0.103E-02 5778 T= 6385. E= 0.69197008E+03 F= 0.63914755E+03 E0= 0.66927853E+03 EK= 0.52823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354542828205E+03 -0.72638E+00 -0.25521E-01 8856 0.230E+01 0.321E-01 RMM: 2 -0.354560043930E+03 -0.17216E-01 -0.15747E-01 5795 0.787E-01 0.789E-01 RMM: 3 -0.354554268333E+03 0.57756E-02 -0.85449E-03 5438 0.203E-01 0.259E-01 RMM: 4 -0.354554910106E+03 -0.64177E-03 -0.16446E-03 4837 0.979E-02 0.419E-01 RMM: 5 -0.354553808630E+03 0.11015E-02 -0.62391E-04 4553 0.639E-02 0.147E-01 RMM: 6 -0.354553724046E+03 0.84583E-04 -0.18529E-04 3888 0.349E-02 0.102E-01 RMM: 7 -0.354553785309E+03 -0.61263E-04 -0.12194E-04 3876 0.291E-02 0.146E-01 RMM: 8 -0.354553646492E+03 0.13882E-03 -0.68393E-05 3493 0.241E-02 0.315E-02 RMM: 9 -0.354553648083E+03 -0.15911E-05 -0.13698E-05 2513 0.104E-02 5779 T= 6121. E= 0.68876747E+03 F= 0.63813176E+03 E0= 0.66823979E+03 EK= 0.50636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355343403034E+03 -0.78976E+00 -0.23754E-01 8808 0.227E+01 0.335E-01 RMM: 2 -0.355362341620E+03 -0.18939E-01 -0.14935E-01 5552 0.773E-01 0.102E+00 RMM: 3 -0.355353886926E+03 0.84547E-02 -0.98044E-03 5438 0.213E-01 0.260E-01 RMM: 4 -0.355354420615E+03 -0.53369E-03 -0.18510E-03 4866 0.102E-01 0.403E-01 RMM: 5 -0.355353499826E+03 0.92079E-03 -0.60661E-04 4529 0.627E-02 0.189E-01 RMM: 6 -0.355353298093E+03 0.20173E-03 -0.20680E-04 3888 0.368E-02 0.859E-02 RMM: 7 -0.355353378347E+03 -0.80254E-04 -0.13921E-04 3884 0.315E-02 0.144E-01 RMM: 8 -0.355353244901E+03 0.13345E-03 -0.68342E-05 3465 0.242E-02 0.381E-02 RMM: 9 -0.355353239285E+03 0.56152E-05 -0.14346E-05 2503 0.108E-02 5780 T= 5974. E= 0.68646102E+03 F= 0.63704409E+03 E0= 0.66712931E+03 EK= 0.49417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356228638834E+03 -0.87539E+00 -0.21902E-01 8892 0.227E+01 0.327E-01 RMM: 2 -0.356244891501E+03 -0.16253E-01 -0.13520E-01 5446 0.744E-01 0.910E-01 RMM: 3 -0.356238076089E+03 0.68154E-02 -0.93015E-03 5448 0.206E-01 0.253E-01 RMM: 4 -0.356238715045E+03 -0.63896E-03 -0.17280E-03 4799 0.996E-02 0.415E-01 RMM: 5 -0.356237653784E+03 0.10613E-02 -0.62400E-04 4572 0.635E-02 0.158E-01 RMM: 6 -0.356237538015E+03 0.11577E-03 -0.18028E-04 3878 0.341E-02 0.943E-02 RMM: 7 -0.356237602424E+03 -0.64409E-04 -0.11487E-04 3875 0.282E-02 0.142E-01 RMM: 8 -0.356237472245E+03 0.13018E-03 -0.60482E-05 3399 0.230E-02 0.357E-02 RMM: 9 -0.356237469599E+03 0.26457E-05 -0.14016E-05 2504 0.106E-02 5781 T= 5983. E= 0.68535716E+03 F= 0.63586479E+03 E0= 0.66592739E+03 EK= 0.49492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357189032090E+03 -0.95156E+00 -0.20942E-01 8952 0.230E+01 0.320E-01 RMM: 2 -0.357205539784E+03 -0.16508E-01 -0.12551E-01 5308 0.730E-01 0.998E-01 RMM: 3 -0.357197892742E+03 0.76470E-02 -0.95070E-03 5433 0.209E-01 0.245E-01 RMM: 4 -0.357198255629E+03 -0.36289E-03 -0.17143E-03 4818 0.984E-02 0.356E-01 RMM: 5 -0.357197593672E+03 0.66196E-03 -0.58179E-04 4557 0.617E-02 0.201E-01 RMM: 6 -0.357197360818E+03 0.23285E-03 -0.22525E-04 3896 0.388E-02 0.893E-02 RMM: 7 -0.357197446962E+03 -0.86144E-04 -0.13893E-04 3883 0.318E-02 0.149E-01 RMM: 8 -0.357197304571E+03 0.14239E-03 -0.67468E-05 3493 0.243E-02 0.412E-02 RMM: 9 -0.357197297195E+03 0.73764E-05 -0.14896E-05 2515 0.111E-02 5782 T= 6141. E= 0.68540937E+03 F= 0.63460621E+03 E0= 0.66464662E+03 EK= 0.50803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358181818207E+03 -0.98451E+00 -0.20627E-01 9084 0.235E+01 0.326E-01 RMM: 2 -0.358201932066E+03 -0.20114E-01 -0.11606E-01 5382 0.709E-01 0.129E+00 RMM: 3 -0.358190023531E+03 0.11909E-01 -0.99347E-03 5385 0.221E-01 0.247E-01 RMM: 4 -0.358190324231E+03 -0.30070E-03 -0.17179E-03 4758 0.963E-02 0.340E-01 RMM: 5 -0.358189703658E+03 0.62057E-03 -0.62954E-04 4612 0.658E-02 0.191E-01 RMM: 6 -0.358189522819E+03 0.18084E-03 -0.24294E-04 3895 0.400E-02 0.105E-01 RMM: 7 -0.358189598465E+03 -0.75646E-04 -0.14800E-04 3886 0.330E-02 0.153E-01 RMM: 8 -0.358189453246E+03 0.14522E-03 -0.73108E-05 3549 0.253E-02 0.511E-02 RMM: 9 -0.358189440196E+03 0.13050E-04 -0.15808E-05 2526 0.116E-02 5783 T= 6397. E= 0.68623687E+03 F= 0.63331444E+03 E0= 0.66333309E+03 EK= 0.52922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359137529369E+03 -0.94808E+00 -0.20388E-01 8892 0.240E+01 0.337E-01 RMM: 2 -0.359156928254E+03 -0.19399E-01 -0.11126E-01 5449 0.711E-01 0.130E+00 RMM: 3 -0.359145318650E+03 0.11610E-01 -0.98548E-03 5375 0.221E-01 0.281E-01 RMM: 4 -0.359145246869E+03 0.71782E-04 -0.16615E-03 4705 0.933E-02 0.283E-01 RMM: 5 -0.359144977210E+03 0.26966E-03 -0.61011E-04 4590 0.643E-02 0.232E-01 RMM: 6 -0.359144662243E+03 0.31497E-03 -0.31605E-04 3944 0.470E-02 0.102E-01 RMM: 7 -0.359144783039E+03 -0.12080E-03 -0.18034E-04 3883 0.367E-02 0.173E-01 RMM: 8 -0.359144599908E+03 0.18313E-03 -0.91237E-05 3693 0.280E-02 0.572E-02 RMM: 9 -0.359144582697E+03 0.17211E-04 -0.19565E-05 2585 0.131E-02 5784 T= 6661. E= 0.68716509E+03 F= 0.63206001E+03 E0= 0.66205815E+03 EK= 0.55105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359970650835E+03 -0.82605E+00 -0.19849E-01 8808 0.244E+01 0.343E-01 RMM: 2 -0.359993668770E+03 -0.23018E-01 -0.10387E-01 5392 0.695E-01 0.150E+00 RMM: 3 -0.359977869220E+03 0.15800E-01 -0.10292E-02 5369 0.230E-01 0.281E-01 RMM: 4 -0.359977771259E+03 0.97961E-04 -0.17311E-03 4720 0.946E-02 0.282E-01 RMM: 5 -0.359977501520E+03 0.26974E-03 -0.70753E-04 4609 0.721E-02 0.233E-01 RMM: 6 -0.359977202641E+03 0.29888E-03 -0.28797E-04 3906 0.442E-02 0.105E-01 RMM: 7 -0.359977284795E+03 -0.82154E-04 -0.18357E-04 3894 0.375E-02 0.154E-01 RMM: 8 -0.359977137330E+03 0.14746E-03 -0.85121E-05 3688 0.273E-02 0.579E-02 RMM: 9 -0.359977120307E+03 0.17024E-04 -0.17914E-05 2550 0.125E-02 5785 T= 6827. E= 0.68740636E+03 F= 0.63092769E+03 E0= 0.66090717E+03 EK= 0.56479E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360584252193E+03 -0.60711E+00 -0.19774E-01 8928 0.246E+01 0.335E-01 RMM: 2 -0.360603079715E+03 -0.18828E-01 -0.96380E-02 5253 0.684E-01 0.134E+00 RMM: 3 -0.360590725135E+03 0.12355E-01 -0.94744E-03 5372 0.223E-01 0.253E-01 RMM: 4 -0.360590766160E+03 -0.41024E-04 -0.15401E-03 4686 0.900E-02 0.292E-01 RMM: 5 -0.360590422737E+03 0.34342E-03 -0.68164E-04 4608 0.705E-02 0.218E-01 RMM: 6 -0.360590167246E+03 0.25549E-03 -0.30961E-04 3923 0.462E-02 0.109E-01 RMM: 7 -0.360590254169E+03 -0.86923E-04 -0.17413E-04 3880 0.375E-02 0.162E-01 RMM: 8 -0.360590085756E+03 0.16841E-03 -0.86517E-05 3636 0.274E-02 0.439E-02 RMM: 9 -0.360590079413E+03 0.63433E-05 -0.18060E-05 2572 0.126E-02 5786 T= 6819. E= 0.68642613E+03 F= 0.63001183E+03 E0= 0.65997522E+03 EK= 0.56414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360887575858E+03 -0.29749E+00 -0.19333E-01 9048 0.244E+01 0.309E-01 RMM: 2 -0.360902833366E+03 -0.15258E-01 -0.91755E-02 5343 0.637E-01 0.113E+00 RMM: 3 -0.360893689961E+03 0.91434E-02 -0.75064E-03 5376 0.195E-01 0.241E-01 RMM: 4 -0.360893906888E+03 -0.21693E-03 -0.15325E-03 4672 0.932E-02 0.331E-01 RMM: 5 -0.360893310357E+03 0.59653E-03 -0.79595E-04 4605 0.787E-02 0.176E-01 RMM: 6 -0.360893196289E+03 0.11407E-03 -0.23581E-04 3885 0.391E-02 0.124E-01 RMM: 7 -0.360893149616E+03 0.46674E-04 -0.12529E-04 3884 0.347E-02 0.100E-01 RMM: 8 -0.360893088240E+03 0.61376E-04 -0.33083E-05 3040 0.177E-02 0.372E-02 RMM: 9 -0.360893090785E+03 -0.25446E-05 -0.16102E-05 2507 0.115E-02 5787 T= 6634. E= 0.68427766E+03 F= 0.62939943E+03 E0= 0.65934877E+03 EK= 0.54878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360825392559E+03 0.67696E-01 -0.19366E-01 9060 0.239E+01 0.317E-01 RMM: 2 -0.360840154111E+03 -0.14762E-01 -0.10043E-01 5398 0.653E-01 0.104E+00 RMM: 3 -0.360831997255E+03 0.81569E-02 -0.76650E-03 5394 0.194E-01 0.246E-01 RMM: 4 -0.360832288715E+03 -0.29146E-03 -0.15820E-03 4720 0.951E-02 0.345E-01 RMM: 5 -0.360831634962E+03 0.65375E-03 -0.72685E-04 4605 0.727E-02 0.187E-01 RMM: 6 -0.360831486863E+03 0.14810E-03 -0.27099E-04 3888 0.428E-02 0.120E-01 RMM: 7 -0.360831525623E+03 -0.38760E-04 -0.14908E-04 3882 0.357E-02 0.147E-01 RMM: 8 -0.360831386192E+03 0.13943E-03 -0.68918E-05 3494 0.245E-02 0.386E-02 RMM: 9 -0.360831384897E+03 0.12950E-05 -0.15732E-05 2534 0.115E-02 5788 T= 6341. E= 0.68159913E+03 F= 0.62914246E+03 E0= 0.65907882E+03 EK= 0.52457E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360398887421E+03 0.43250E+00 -0.18796E-01 9132 0.234E+01 0.333E-01 RMM: 2 -0.360410231807E+03 -0.11344E-01 -0.10094E-01 5735 0.633E-01 0.764E-01 RMM: 3 -0.360405503072E+03 0.47287E-02 -0.64569E-03 5368 0.179E-01 0.292E-01 RMM: 4 -0.360405963144E+03 -0.46007E-03 -0.15859E-03 4702 0.960E-02 0.406E-01 RMM: 5 -0.360404939801E+03 0.10233E-02 -0.81287E-04 4604 0.767E-02 0.169E-01 RMM: 6 -0.360404842339E+03 0.97462E-04 -0.25485E-04 3898 0.412E-02 0.124E-01 RMM: 7 -0.360404866635E+03 -0.24296E-04 -0.13319E-04 3883 0.336E-02 0.144E-01 RMM: 8 -0.360404732219E+03 0.13442E-03 -0.60811E-05 3419 0.230E-02 0.362E-02 RMM: 9 -0.360404734238E+03 -0.20194E-05 -0.18183E-05 2539 0.123E-02 5789 T= 6047. E= 0.67926785E+03 F= 0.62924022E+03 E0= 0.65916364E+03 EK= 0.50028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359660321558E+03 0.74441E+00 -0.18034E-01 9024 0.229E+01 0.352E-01 RMM: 2 -0.359675334823E+03 -0.15013E-01 -0.10272E-01 5754 0.629E-01 0.107E+00 RMM: 3 -0.359666643717E+03 0.86911E-02 -0.70524E-03 5374 0.186E-01 0.241E-01 RMM: 4 -0.359667467976E+03 -0.82426E-03 -0.19290E-03 4784 0.106E-01 0.447E-01 RMM: 5 -0.359666255975E+03 0.12120E-02 -0.77127E-04 4596 0.733E-02 0.164E-01 RMM: 6 -0.359666152610E+03 0.10337E-03 -0.20820E-04 3881 0.366E-02 0.113E-01 RMM: 7 -0.359666143797E+03 0.88122E-05 -0.10596E-04 3880 0.300E-02 5790 T= 5848. E= 0.67802388E+03 F= 0.62964142E+03 E0= 0.65955014E+03 EK= 0.48382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358694491333E+03 0.97166E+00 -0.18008E-01 9036 0.225E+01 0.381E-01 RMM: 2 -0.358705219013E+03 -0.10728E-01 -0.10576E-01 5661 0.626E-01 0.725E-01 RMM: 3 -0.358701034284E+03 0.41847E-02 -0.69598E-03 5403 0.179E-01 0.355E-01 RMM: 4 -0.358701904320E+03 -0.87004E-03 -0.20254E-03 4782 0.111E-01 0.520E-01 RMM: 5 -0.358700131512E+03 0.17728E-02 -0.10025E-03 4603 0.834E-02 0.134E-01 RMM: 6 -0.358700153609E+03 -0.22097E-04 -0.23704E-04 3887 0.382E-02 0.155E-01 RMM: 7 -0.358700071099E+03 0.82509E-04 -0.13237E-04 3888 0.334E-02 0.119E-01 RMM: 8 -0.358699981216E+03 0.89884E-04 -0.57289E-05 3382 0.219E-02 0.355E-02 RMM: 9 -0.358699993491E+03 -0.12276E-04 -0.21383E-05 2582 0.132E-02 5791 T= 5806. E= 0.67829631E+03 F= 0.63026587E+03 E0= 0.66015822E+03 EK= 0.48030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357591076417E+03 0.11089E+01 -0.18663E-01 8904 0.225E+01 0.316E-01 RMM: 2 -0.357604821335E+03 -0.13745E-01 -0.11305E-01 5521 0.650E-01 0.859E-01 RMM: 3 -0.357598593051E+03 0.62283E-02 -0.78917E-03 5442 0.184E-01 0.229E-01 RMM: 4 -0.357599415057E+03 -0.82201E-03 -0.15205E-03 4664 0.941E-02 0.439E-01 RMM: 5 -0.357598197570E+03 0.12175E-02 -0.59412E-04 4519 0.630E-02 0.128E-01 RMM: 6 -0.357598135176E+03 0.62395E-04 -0.17689E-04 3886 0.340E-02 0.902E-02 RMM: 7 -0.357598172068E+03 -0.36892E-04 -0.71079E-05 3549 0.234E-02 0.120E-01 RMM: 8 -0.357598075376E+03 0.96691E-04 -0.44292E-05 3182 0.203E-02 0.244E-02 RMM: 9 -0.357598078631E+03 -0.32551E-05 -0.11208E-05 2482 0.930E-03 5792 T= 5942. E= 0.68018436E+03 F= 0.63102732E+03 E0= 0.66089963E+03 EK= 0.49157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356438775908E+03 0.11593E+01 -0.19844E-01 8904 0.227E+01 0.345E-01 RMM: 2 -0.356451842739E+03 -0.13067E-01 -0.11635E-01 5623 0.655E-01 0.797E-01 RMM: 3 -0.356446340259E+03 0.55025E-02 -0.75452E-03 5443 0.180E-01 0.280E-01 RMM: 4 -0.356447101380E+03 -0.76112E-03 -0.18749E-03 4763 0.106E-01 0.460E-01 RMM: 5 -0.356445801276E+03 0.13001E-02 -0.80342E-04 4600 0.743E-02 0.161E-01 RMM: 6 -0.356445686473E+03 0.11480E-03 -0.21311E-04 3891 0.368E-02 0.107E-01 RMM: 7 -0.356445725761E+03 -0.39288E-04 -0.12647E-04 3879 0.316E-02 0.138E-01 RMM: 8 -0.356445600548E+03 0.12521E-03 -0.58629E-05 3389 0.228E-02 0.326E-02 RMM: 9 -0.356445604803E+03 -0.42548E-05 -0.17051E-05 2528 0.117E-02 5793 T= 6237. E= 0.68344176E+03 F= 0.63184569E+03 E0= 0.66169430E+03 EK= 0.51596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355308263403E+03 0.11373E+01 -0.21345E-01 8916 0.232E+01 0.324E-01 RMM: 2 -0.355325137034E+03 -0.16874E-01 -0.12820E-01 5453 0.701E-01 0.100E+00 RMM: 3 -0.355317155958E+03 0.79811E-02 -0.89588E-03 5451 0.199E-01 0.244E-01 RMM: 4 -0.355317627048E+03 -0.47109E-03 -0.16837E-03 4739 0.983E-02 0.382E-01 RMM: 5 -0.355316764063E+03 0.86299E-03 -0.66578E-04 4586 0.671E-02 0.168E-01 RMM: 6 -0.355316639246E+03 0.12482E-03 -0.21335E-04 3892 0.375E-02 0.103E-01 RMM: 7 -0.355316680560E+03 -0.41314E-04 -0.10987E-04 3847 0.296E-02 0.134E-01 RMM: 8 -0.355316560818E+03 0.11974E-03 -0.54616E-05 3355 0.221E-02 0.340E-02 RMM: 9 -0.355316562832E+03 -0.20137E-05 -0.15691E-05 2515 0.113E-02 5794 T= 6619. E= 0.68740731E+03 F= 0.63265009E+03 E0= 0.66247106E+03 EK= 0.54757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354261085948E+03 0.10555E+01 -0.23615E-01 9012 0.237E+01 0.317E-01 RMM: 2 -0.354279952135E+03 -0.18866E-01 -0.14274E-01 5444 0.748E-01 0.102E+00 RMM: 3 -0.354271436858E+03 0.85153E-02 -0.97870E-03 5448 0.208E-01 0.250E-01 RMM: 4 -0.354271667120E+03 -0.23026E-03 -0.16436E-03 4740 0.962E-02 0.337E-01 RMM: 5 -0.354271077632E+03 0.58949E-03 -0.69770E-04 4601 0.706E-02 0.191E-01 RMM: 6 -0.354270894215E+03 0.18342E-03 -0.24163E-04 3887 0.394E-02 0.107E-01 RMM: 7 -0.354270940356E+03 -0.46140E-04 -0.14329E-04 3878 0.342E-02 0.142E-01 RMM: 8 -0.354270812661E+03 0.12770E-03 -0.65395E-05 3461 0.240E-02 0.341E-02 RMM: 9 -0.354270817024E+03 -0.43632E-05 -0.17545E-05 2532 0.121E-02 5795 T= 6965. E= 0.69100326E+03 F= 0.63338059E+03 E0= 0.66316956E+03 EK= 0.57623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353338273140E+03 0.93254E+00 -0.25829E-01 9048 0.240E+01 0.301E-01 RMM: 2 -0.353357219822E+03 -0.18947E-01 -0.15589E-01 5488 0.787E-01 0.927E-01 RMM: 3 -0.353350028744E+03 0.71911E-02 -0.10014E-02 5506 0.205E-01 0.239E-01 RMM: 4 -0.353350157612E+03 -0.12887E-03 -0.14575E-03 4712 0.913E-02 0.316E-01 RMM: 5 -0.353349557652E+03 0.59996E-03 -0.72764E-04 4600 0.724E-02 0.151E-01 RMM: 6 -0.353349540493E+03 0.17159E-04 -0.24285E-04 3891 0.397E-02 0.144E-01 RMM: 7 -0.353349482805E+03 0.57688E-04 -0.12162E-04 3865 0.332E-02 0.117E-01 RMM: 8 -0.353349395281E+03 0.87524E-04 -0.47831E-05 3273 0.205E-02 0.353E-02 RMM: 9 -0.353349401587E+03 -0.63061E-05 -0.17660E-05 2525 0.120E-02 5796 T= 7138. E= 0.69304075E+03 F= 0.63399309E+03 E0= 0.66374601E+03 EK= 0.59048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352560043424E+03 0.78935E+00 -0.26669E-01 9060 0.241E+01 0.304E-01 RMM: 2 -0.352577987369E+03 -0.17944E-01 -0.15217E-01 5626 0.765E-01 0.876E-01 RMM: 3 -0.352571274218E+03 0.67132E-02 -0.85650E-03 5562 0.191E-01 0.237E-01 RMM: 4 -0.352571437673E+03 -0.16346E-03 -0.14332E-03 4674 0.907E-02 0.320E-01 RMM: 5 -0.352570855720E+03 0.58195E-03 -0.73887E-04 4601 0.736E-02 0.167E-01 RMM: 6 -0.352570776099E+03 0.79621E-04 -0.24543E-04 3894 0.397E-02 0.133E-01 RMM: 7 -0.352570757660E+03 0.18439E-04 -0.14347E-04 3879 0.355E-02 5797 T= 7057. E= 0.69284564E+03 F= 0.63446400E+03 E0= 0.66417720E+03 EK= 0.58382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351925044802E+03 0.64573E+00 -0.26405E-01 9000 0.238E+01 0.352E-01 RMM: 2 -0.351942260524E+03 -0.17216E-01 -0.15182E-01 5688 0.762E-01 0.854E-01 RMM: 3 -0.351935806344E+03 0.64542E-02 -0.83802E-03 5412 0.197E-01 0.287E-01 RMM: 4 -0.351936350469E+03 -0.54413E-03 -0.18766E-03 4714 0.105E-01 0.432E-01 RMM: 5 -0.351935189012E+03 0.11615E-02 -0.10307E-03 4608 0.855E-02 0.159E-01 RMM: 6 -0.351935206712E+03 -0.17700E-04 -0.32356E-04 3914 0.454E-02 0.172E-01 RMM: 7 -0.351935106880E+03 0.99832E-04 -0.17395E-04 3885 0.403E-02 0.135E-01 RMM: 8 -0.351934995104E+03 0.11178E-03 -0.61800E-05 3414 0.229E-02 0.422E-02 RMM: 9 -0.351935007189E+03 -0.12085E-04 -0.28876E-05 2806 0.151E-02 5798 T= 6760. E= 0.69071285E+03 F= 0.63478767E+03 E0= 0.66445834E+03 EK= 0.55925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351429179748E+03 0.50582E+00 -0.24713E-01 8880 0.232E+01 0.292E-01 RMM: 2 -0.351447228497E+03 -0.18049E-01 -0.14455E-01 5741 0.735E-01 0.935E-01 RMM: 3 -0.351439573476E+03 0.76550E-02 -0.73706E-03 5446 0.185E-01 0.207E-01 RMM: 4 -0.351439983348E+03 -0.40987E-03 -0.14214E-03 4660 0.902E-02 0.343E-01 RMM: 5 -0.351439288657E+03 0.69469E-03 -0.59906E-04 4570 0.651E-02 0.150E-01 RMM: 6 -0.351439199388E+03 0.89270E-04 -0.19675E-04 3892 0.358E-02 0.101E-01 RMM: 7 -0.351439223113E+03 -0.23726E-04 -0.92184E-05 3721 0.277E-02 0.122E-01 RMM: 8 -0.351439127827E+03 0.95286E-04 -0.41395E-05 3192 0.196E-02 0.276E-02 RMM: 9 -0.351439130396E+03 -0.25685E-05 -0.10834E-05 2486 0.923E-03 5799 T= 6374. E= 0.68769624E+03 F= 0.63496291E+03 E0= 0.66459041E+03 EK= 0.52733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351077849897E+03 0.36128E+00 -0.23488E-01 8976 0.227E+01 0.351E-01 RMM: 2 -0.351092450821E+03 -0.14601E-01 -0.13394E-01 5825 0.714E-01 0.788E-01 RMM: 3 -0.351086961854E+03 0.54890E-02 -0.69370E-03 5387 0.183E-01 0.279E-01 RMM: 4 -0.351087766079E+03 -0.80423E-03 -0.19514E-03 4785 0.109E-01 0.467E-01 RMM: 5 -0.351086423419E+03 0.13427E-02 -0.87981E-04 4580 0.771E-02 0.168E-01 RMM: 6 -0.351086337384E+03 0.86035E-04 -0.26227E-04 3892 0.411E-02 0.131E-01 RMM: 7 -0.351086336679E+03 0.70495E-06 -0.13570E-04 3880 0.340E-02 5800 T= 6042. E= 0.68496695E+03 F= 0.63498494E+03 E0= 0.66457020E+03 EK= 0.49982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350876288802E+03 0.21005E+00 -0.22086E-01 8988 0.223E+01 0.378E-01 RMM: 2 -0.350890475654E+03 -0.14187E-01 -0.12450E-01 5742 0.702E-01 0.881E-01 RMM: 3 -0.350884445605E+03 0.60300E-02 -0.75078E-03 5477 0.188E-01 0.292E-01 RMM: 4 -0.350885328379E+03 -0.88277E-03 -0.19740E-03 4772 0.108E-01 0.491E-01 RMM: 5 -0.350883816440E+03 0.15119E-02 -0.10400E-03 4608 0.855E-02 0.169E-01 RMM: 6 -0.350883764393E+03 0.52047E-04 -0.30156E-04 3907 0.439E-02 0.150E-01 RMM: 7 -0.350883739495E+03 0.24898E-04 -0.14854E-04 3885 0.356E-02 0.144E-01 RMM: 8 -0.350883607373E+03 0.13212E-03 -0.67743E-05 3477 0.240E-02 0.417E-02 RMM: 9 -0.350883615305E+03 -0.79315E-05 -0.24621E-05 2694 0.141E-02 5801 T= 5863. E= 0.68334801E+03 F= 0.63484838E+03 E0= 0.66439395E+03 EK= 0.48500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350831424791E+03 0.52183E-01 -0.21102E-01 9048 0.223E+01 0.299E-01 RMM: 2 -0.350845643423E+03 -0.14219E-01 -0.11480E-01 5863 0.662E-01 0.859E-01 RMM: 3 -0.350839483137E+03 0.61603E-02 -0.60337E-03 5388 0.170E-01 0.223E-01 RMM: 4 -0.350840039753E+03 -0.55662E-03 -0.14720E-03 4631 0.933E-02 0.379E-01 RMM: 5 -0.350839134687E+03 0.90507E-03 -0.63361E-04 4561 0.659E-02 0.136E-01 RMM: 6 -0.350839078665E+03 0.56022E-04 -0.20638E-04 3888 0.370E-02 0.106E-01 RMM: 7 -0.350839101129E+03 -0.22465E-04 -0.87177E-05 3687 0.271E-02 0.124E-01 RMM: 8 -0.350839000609E+03 0.10052E-03 -0.38948E-05 3142 0.190E-02 0.278E-02 RMM: 9 -0.350839000464E+03 0.14546E-06 -0.10664E-05 2477 0.910E-03 5802 T= 5881. E= 0.68320489E+03 F= 0.63454928E+03 E0= 0.66406015E+03 EK= 0.48656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350944638481E+03 -0.10564E+00 -0.20321E-01 9048 0.226E+01 0.349E-01 RMM: 2 -0.350959725350E+03 -0.15087E-01 -0.11246E-01 5621 0.687E-01 0.102E+00 RMM: 3 -0.350951975071E+03 0.77503E-02 -0.77756E-03 5462 0.190E-01 0.257E-01 RMM: 4 -0.350952507614E+03 -0.53254E-03 -0.18970E-03 4733 0.107E-01 0.407E-01 RMM: 5 -0.350951507030E+03 0.10006E-02 -0.84834E-04 4606 0.772E-02 0.180E-01 RMM: 6 -0.350951384314E+03 0.12272E-03 -0.24851E-04 3888 0.403E-02 0.125E-01 RMM: 7 -0.350951396752E+03 -0.12437E-04 -0.15136E-04 3883 0.354E-02 5803 T= 6092. E= 0.68449194E+03 F= 0.63409379E+03 E0= 0.66357632E+03 EK= 0.50398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351199072905E+03 -0.24769E+00 -0.19638E-01 9060 0.232E+01 0.337E-01 RMM: 2 -0.351211182279E+03 -0.12109E-01 -0.10977E-01 5572 0.691E-01 0.766E-01 RMM: 3 -0.351206569418E+03 0.46129E-02 -0.72075E-03 5561 0.178E-01 0.272E-01 RMM: 4 -0.351207048702E+03 -0.47928E-03 -0.16425E-03 4651 0.101E-01 0.413E-01 RMM: 5 -0.351205966960E+03 0.10817E-02 -0.10165E-03 4603 0.856E-02 0.157E-01 RMM: 6 -0.351206008121E+03 -0.41161E-04 -0.34599E-04 3924 0.473E-02 0.182E-01 RMM: 7 -0.351205893095E+03 0.11503E-03 -0.18346E-04 3880 0.414E-02 0.135E-01 RMM: 8 -0.351205778866E+03 0.11423E-03 -0.69217E-05 3489 0.241E-02 0.430E-02 RMM: 9 -0.351205790413E+03 -0.11546E-04 -0.28068E-05 2794 0.150E-02 5804 T= 6437. E= 0.68675197E+03 F= 0.63350096E+03 E0= 0.66296134E+03 EK= 0.53251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351567012238E+03 -0.36123E+00 -0.19569E-01 9108 0.239E+01 0.278E-01 RMM: 2 -0.351582481273E+03 -0.15469E-01 -0.11379E-01 5409 0.725E-01 0.977E-01 RMM: 3 -0.351575509585E+03 0.69717E-02 -0.87974E-03 5642 0.193E-01 0.201E-01 RMM: 4 -0.351575619015E+03 -0.10943E-03 -0.11828E-03 4646 0.827E-02 0.277E-01 RMM: 5 -0.351575169421E+03 0.44959E-03 -0.57033E-04 4598 0.655E-02 0.142E-01 RMM: 6 -0.351575119882E+03 0.49540E-04 -0.21862E-04 3881 0.382E-02 0.117E-01 RMM: 7 -0.351575130212E+03 -0.10331E-04 -0.99862E-05 3760 0.291E-02 5805 T= 6805. E= 0.68909379E+03 F= 0.63279928E+03 E0= 0.66224615E+03 EK= 0.56295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352020958754E+03 -0.44584E+00 -0.19629E-01 8940 0.245E+01 0.355E-01 RMM: 2 -0.352032998408E+03 -0.12040E-01 -0.10919E-01 5469 0.730E-01 0.808E-01 RMM: 3 -0.352028387487E+03 0.46109E-02 -0.84108E-03 5588 0.193E-01 0.283E-01 RMM: 4 -0.352028905608E+03 -0.51812E-03 -0.16727E-03 4735 0.102E-01 0.425E-01 RMM: 5 -0.352027707365E+03 0.11982E-02 -0.10665E-03 4602 0.875E-02 0.155E-01 RMM: 6 -0.352027788758E+03 -0.81393E-04 -0.37657E-04 4017 0.497E-02 0.198E-01 RMM: 7 -0.352027630892E+03 0.15787E-03 -0.20019E-04 3881 0.433E-02 0.135E-01 RMM: 8 -0.352027517986E+03 0.11291E-03 -0.71451E-05 3505 0.244E-02 0.426E-02 RMM: 9 -0.352027530700E+03 -0.12714E-04 -0.34829E-05 2948 0.171E-02 5806 T= 7053. E= 0.69037027E+03 F= 0.63201887E+03 E0= 0.66145890E+03 EK= 0.58351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352527494219E+03 -0.49998E+00 -0.18898E-01 8520 0.246E+01 0.293E-01 RMM: 2 -0.352540886315E+03 -0.13392E-01 -0.10408E-01 5261 0.731E-01 0.905E-01 RMM: 3 -0.352535095767E+03 0.57905E-02 -0.92209E-03 5691 0.201E-01 0.230E-01 RMM: 4 -0.352535146577E+03 -0.50810E-04 -0.12927E-03 4725 0.871E-02 0.284E-01 RMM: 5 -0.352534729213E+03 0.41736E-03 -0.57525E-04 4607 0.657E-02 0.173E-01 RMM: 6 -0.352534591198E+03 0.13802E-03 -0.20549E-04 3881 0.375E-02 0.101E-01 RMM: 7 -0.352534636599E+03 -0.45401E-04 -0.10604E-04 3765 0.295E-02 0.135E-01 RMM: 8 -0.352534516674E+03 0.11992E-03 -0.52283E-05 3347 0.220E-02 0.283E-02 RMM: 9 -0.352534518014E+03 -0.13396E-05 -0.12549E-05 2495 0.101E-02 5807 T= 7074. E= 0.68970084E+03 F= 0.63118378E+03 E0= 0.66062293E+03 EK= 0.58517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353064136154E+03 -0.52962E+00 -0.17778E-01 7992 0.244E+01 0.337E-01 RMM: 2 -0.353072493776E+03 -0.83576E-02 -0.88259E-02 5445 0.655E-01 0.602E-01 RMM: 3 -0.353069723166E+03 0.27706E-02 -0.64483E-03 5449 0.175E-01 0.286E-01 RMM: 4 -0.353070480052E+03 -0.75689E-03 -0.16936E-03 4867 0.105E-01 0.461E-01 RMM: 5 -0.353069084107E+03 0.13959E-02 -0.88241E-04 4597 0.792E-02 0.133E-01 RMM: 6 -0.353069080351E+03 0.37566E-05 -0.22443E-04 3886 0.384E-02 0.139E-01 RMM: 7 -0.353069033351E+03 0.47000E-04 -0.12444E-04 3866 0.338E-02 0.120E-01 RMM: 8 -0.353068940975E+03 0.92376E-04 -0.49138E-05 3291 0.208E-02 0.343E-02 RMM: 9 -0.353068946514E+03 -0.55394E-05 -0.19331E-05 2545 0.126E-02 5808 T= 6856. E= 0.68703570E+03 F= 0.63031544E+03 E0= 0.65975884E+03 EK= 0.56720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353591887771E+03 -0.52295E+00 -0.16892E-01 7704 0.239E+01 0.332E-01 RMM: 2 -0.353600452324E+03 -0.85646E-02 -0.76550E-02 5084 0.637E-01 0.762E-01 RMM: 3 -0.353596426606E+03 0.40257E-02 -0.73109E-03 5508 0.189E-01 0.254E-01 RMM: 4 -0.353597254061E+03 -0.82746E-03 -0.17491E-03 4997 0.106E-01 0.449E-01 RMM: 5 -0.353595945950E+03 0.13081E-02 -0.80438E-04 4608 0.757E-02 0.131E-01 RMM: 6 -0.353595909807E+03 0.36143E-04 -0.19623E-04 3883 0.363E-02 0.116E-01 RMM: 7 -0.353595904264E+03 0.55426E-05 -0.97179E-05 3766 0.293E-02 5809 T= 6498. E= 0.68319705E+03 F= 0.62944364E+03 E0= 0.65889507E+03 EK= 0.53753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354067513350E+03 -0.47160E+00 -0.16310E-01 7956 0.232E+01 0.392E-01 RMM: 2 -0.354075244560E+03 -0.77312E-02 -0.68728E-02 5182 0.600E-01 0.811E-01 RMM: 3 -0.354070917079E+03 0.43275E-02 -0.65087E-03 5394 0.183E-01 0.331E-01 RMM: 4 -0.354072010531E+03 -0.10935E-02 -0.23586E-03 5169 0.123E-01 0.542E-01 RMM: 5 -0.354070127438E+03 0.18831E-02 -0.12229E-03 4604 0.942E-02 0.154E-01 RMM: 6 -0.354070081891E+03 0.45547E-04 -0.25651E-04 3890 0.410E-02 0.142E-01 RMM: 7 -0.354070022369E+03 0.59522E-04 -0.15294E-04 3877 0.374E-02 0.118E-01 RMM: 8 -0.354069933508E+03 0.88861E-04 -0.60610E-05 3398 0.231E-02 0.359E-02 RMM: 9 -0.354069946452E+03 -0.12944E-04 -0.24442E-05 2649 0.143E-02 5810 T= 6134. E= 0.67935272E+03 F= 0.62861094E+03 E0= 0.65807234E+03 EK= 0.50742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354438369136E+03 -0.36844E+00 -0.16060E-01 8136 0.227E+01 0.310E-01 RMM: 2 -0.354445966089E+03 -0.75970E-02 -0.73297E-02 5061 0.606E-01 0.655E-01 RMM: 3 -0.354442835541E+03 0.31305E-02 -0.70137E-03 5515 0.183E-01 0.247E-01 RMM: 4 -0.354443507562E+03 -0.67202E-03 -0.14504E-03 4774 0.958E-02 0.420E-01 RMM: 5 -0.354442381572E+03 0.11260E-02 -0.69049E-04 4607 0.707E-02 0.133E-01 RMM: 6 -0.354442327654E+03 0.53918E-04 -0.21545E-04 3898 0.381E-02 0.105E-01 RMM: 7 -0.354442309447E+03 0.18207E-04 -0.82388E-05 3683 0.282E-02 5811 T= 5875. E= 0.67646700E+03 F= 0.62786655E+03 E0= 0.65733966E+03 EK= 0.48600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354663862847E+03 -0.22154E+00 -0.16235E-01 8568 0.224E+01 0.406E-01 RMM: 2 -0.354672684521E+03 -0.88217E-02 -0.73869E-02 5301 0.605E-01 0.884E-01 RMM: 3 -0.354667477132E+03 0.52074E-02 -0.68811E-03 5442 0.182E-01 0.332E-01 RMM: 4 -0.354668594224E+03 -0.11171E-02 -0.26356E-03 5113 0.130E-01 0.550E-01 RMM: 5 -0.354666589568E+03 0.20047E-02 -0.13698E-03 4613 0.995E-02 0.143E-01 RMM: 6 -0.354666653673E+03 -0.64105E-04 -0.32167E-04 3904 0.460E-02 0.183E-01 RMM: 7 -0.354666513473E+03 0.14020E-03 -0.16681E-04 3880 0.398E-02 0.125E-01 RMM: 8 -0.354666416971E+03 0.96501E-04 -0.62872E-05 3414 0.229E-02 0.420E-02 RMM: 9 -0.354666433616E+03 -0.16644E-04 -0.28190E-05 2765 0.153E-02 5812 T= 5781. E= 0.67508844E+03 F= 0.62726076E+03 E0= 0.65674657E+03 EK= 0.47828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354694326252E+03 -0.27909E-01 -0.16309E-01 8832 0.224E+01 0.307E-01 RMM: 2 -0.354702832603E+03 -0.85064E-02 -0.74280E-02 5229 0.605E-01 0.753E-01 RMM: 3 -0.354698884510E+03 0.39481E-02 -0.71981E-03 5657 0.179E-01 0.220E-01 RMM: 4 -0.354699437055E+03 -0.55255E-03 -0.13870E-03 4660 0.935E-02 0.392E-01 RMM: 5 -0.354698530812E+03 0.90624E-03 -0.68312E-04 4602 0.711E-02 0.167E-01 RMM: 6 -0.354698413710E+03 0.11710E-03 -0.27400E-04 3908 0.427E-02 0.110E-01 RMM: 7 -0.354698392149E+03 0.21561E-04 -0.10278E-04 3819 0.323E-02 0.103E-01 RMM: 8 -0.354698323438E+03 0.68711E-04 -0.24050E-05 2748 0.155E-02 0.271E-02 RMM: 9 -0.354698327663E+03 -0.42257E-05 -0.13680E-05 2489 0.107E-02 5813 T= 5867. E= 0.67537839E+03 F= 0.62684352E+03 E0= 0.65634254E+03 EK= 0.48535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354491579812E+03 0.20674E+00 -0.16592E-01 8952 0.228E+01 0.350E-01 RMM: 2 -0.354501843758E+03 -0.10264E-01 -0.78339E-02 5358 0.607E-01 0.907E-01 RMM: 3 -0.354496065858E+03 0.57779E-02 -0.68344E-03 5462 0.177E-01 0.259E-01 RMM: 4 -0.354496850583E+03 -0.78472E-03 -0.20428E-03 4848 0.116E-01 0.459E-01 RMM: 5 -0.354495579065E+03 0.12715E-02 -0.10061E-03 4602 0.850E-02 0.184E-01 RMM: 6 -0.354495488075E+03 0.90990E-04 -0.31595E-04 3908 0.455E-02 0.150E-01 RMM: 7 -0.354495415164E+03 0.72911E-04 -0.17472E-04 3883 0.410E-02 0.117E-01 RMM: 8 -0.354495327891E+03 0.87273E-04 -0.54200E-05 3323 0.221E-02 0.375E-02 RMM: 9 -0.354495335885E+03 -0.79939E-05 -0.20709E-05 2564 0.133E-02 5814 T= 6104. E= 0.67716343E+03 F= 0.62666371E+03 E0= 0.65617552E+03 EK= 0.50500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354010128950E+03 0.48520E+00 -0.17729E-01 8784 0.232E+01 0.328E-01 RMM: 2 -0.354020961163E+03 -0.10832E-01 -0.83271E-02 5358 0.637E-01 0.908E-01 RMM: 3 -0.354015210089E+03 0.57511E-02 -0.77383E-03 5638 0.186E-01 0.231E-01 RMM: 4 -0.354015709927E+03 -0.49984E-03 -0.15538E-03 4673 0.986E-02 0.393E-01 RMM: 5 -0.354014780456E+03 0.92947E-03 -0.86885E-04 4610 0.806E-02 0.170E-01 RMM: 6 -0.354014712230E+03 0.68226E-04 -0.32927E-04 3906 0.465E-02 0.145E-01 RMM: 7 -0.354014681821E+03 0.30409E-04 -0.14416E-04 3877 0.367E-02 0.137E-01 RMM: 8 -0.354014562688E+03 0.11913E-03 -0.51457E-05 3336 0.214E-02 0.352E-02 RMM: 9 -0.354014568501E+03 -0.58132E-05 -0.17897E-05 2549 0.124E-02 5815 T= 6426. E= 0.67992557E+03 F= 0.62676883E+03 E0= 0.65629193E+03 EK= 0.53157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353216213585E+03 0.79835E+00 -0.18537E-01 8880 0.237E+01 0.327E-01 RMM: 2 -0.353228569191E+03 -0.12356E-01 -0.88699E-02 5393 0.647E-01 0.974E-01 RMM: 3 -0.353221698795E+03 0.68704E-02 -0.72396E-03 5581 0.180E-01 0.234E-01 RMM: 4 -0.353222226325E+03 -0.52753E-03 -0.17143E-03 4729 0.105E-01 0.400E-01 RMM: 5 -0.353221315326E+03 0.91100E-03 -0.82757E-04 4599 0.774E-02 0.192E-01 RMM: 6 -0.353221177637E+03 0.13769E-03 -0.32143E-04 3908 0.461E-02 0.135E-01 RMM: 7 -0.353221150709E+03 0.26928E-04 -0.15733E-04 3884 0.385E-02 0.128E-01 RMM: 8 -0.353221044470E+03 0.10624E-03 -0.55456E-05 3384 0.221E-02 0.346E-02 RMM: 9 -0.353221050630E+03 -0.61601E-05 -0.17760E-05 2541 0.122E-02 5816 T= 6724. E= 0.68282443E+03 F= 0.62719551E+03 E0= 0.65672643E+03 EK= 0.55629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352102375369E+03 0.11187E+01 -0.19501E-01 8472 0.240E+01 0.337E-01 RMM: 2 -0.352116037992E+03 -0.13663E-01 -0.98409E-02 5301 0.690E-01 0.101E+00 RMM: 3 -0.352108640940E+03 0.73971E-02 -0.87211E-03 5651 0.199E-01 0.244E-01 RMM: 4 -0.352109202376E+03 -0.56144E-03 -0.17457E-03 4817 0.103E-01 0.413E-01 RMM: 5 -0.352108179346E+03 0.10230E-02 -0.87224E-04 4608 0.798E-02 0.172E-01 RMM: 6 -0.352108094001E+03 0.85344E-04 -0.28844E-04 3899 0.435E-02 0.136E-01 RMM: 7 -0.352108085138E+03 0.88636E-05 -0.13640E-04 3882 0.346E-02 5817 T= 6887. E= 0.68492366E+03 F= 0.62794902E+03 E0= 0.65748351E+03 EK= 0.56975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350707836365E+03 0.14003E+01 -0.19708E-01 8496 0.241E+01 0.394E-01 RMM: 2 -0.350720799870E+03 -0.12964E-01 -0.98073E-02 5304 0.697E-01 0.100E+00 RMM: 3 -0.350713655679E+03 0.71442E-02 -0.87076E-03 5525 0.204E-01 0.307E-01 RMM: 4 -0.350714558021E+03 -0.90234E-03 -0.23416E-03 5085 0.120E-01 0.504E-01 RMM: 5 -0.350712987327E+03 0.15707E-02 -0.11089E-03 4607 0.889E-02 0.191E-01 RMM: 6 -0.350712885763E+03 0.10156E-03 -0.35545E-04 3991 0.486E-02 0.157E-01 RMM: 7 -0.350712867226E+03 0.18537E-04 -0.18290E-04 3882 0.396E-02 5818 T= 6848. E= 0.68563650E+03 F= 0.62898859E+03 E0= 0.65851899E+03 EK= 0.56648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349111450116E+03 0.16014E+01 -0.19651E-01 8436 0.238E+01 0.379E-01 RMM: 2 -0.349126333333E+03 -0.14883E-01 -0.10901E-01 4980 0.755E-01 0.106E+00 RMM: 3 -0.349118556429E+03 0.77769E-02 -0.11452E-02 5511 0.236E-01 0.286E-01 RMM: 4 -0.349119295182E+03 -0.73875E-03 -0.21735E-03 5133 0.113E-01 0.463E-01 RMM: 5 -0.349118115579E+03 0.11796E-02 -0.89116E-04 4595 0.793E-02 0.222E-01 RMM: 6 -0.349117821268E+03 0.29431E-03 -0.30637E-04 3932 0.455E-02 0.889E-02 RMM: 7 -0.349117920363E+03 -0.99094E-04 -0.12776E-04 3884 0.314E-02 0.157E-01 RMM: 8 -0.349117764003E+03 0.15636E-03 -0.56500E-05 3412 0.227E-02 0.461E-02 RMM: 9 -0.349117755302E+03 0.87005E-05 -0.20108E-05 2600 0.131E-02 5819 T= 6629. E= 0.68507132E+03 F= 0.63022777E+03 E0= 0.65974836E+03 EK= 0.54844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347430217007E+03 0.16875E+01 -0.18437E-01 8364 0.233E+01 0.369E-01 RMM: 2 -0.347444461614E+03 -0.14245E-01 -0.10104E-01 5106 0.717E-01 0.105E+00 RMM: 3 -0.347436508535E+03 0.79531E-02 -0.10186E-02 5431 0.227E-01 0.253E-01 RMM: 4 -0.347437824907E+03 -0.13164E-02 -0.20853E-03 5140 0.111E-01 0.532E-01 RMM: 5 -0.347436041834E+03 0.17831E-02 -0.82013E-04 4592 0.764E-02 0.137E-01 RMM: 6 -0.347435966849E+03 0.74985E-04 -0.18156E-04 3895 0.346E-02 0.971E-02 RMM: 7 -0.347435988332E+03 -0.21483E-04 -0.87245E-05 3684 0.260E-02 0.116E-01 RMM: 8 -0.347435898667E+03 0.89665E-04 -0.49233E-05 3275 0.214E-02 0.308E-02 RMM: 9 -0.347435897025E+03 0.16416E-05 -0.10717E-05 2486 0.937E-03 5820 T= 6332. E= 0.68393087E+03 F= 0.63155047E+03 E0= 0.66105602E+03 EK= 0.52380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345775480783E+03 0.16604E+01 -0.17502E-01 8304 0.228E+01 0.421E-01 RMM: 2 -0.345789469465E+03 -0.13989E-01 -0.91376E-02 5006 0.705E-01 0.113E+00 RMM: 3 -0.345780700139E+03 0.87693E-02 -0.11057E-02 5436 0.240E-01 0.334E-01 RMM: 4 -0.345781528763E+03 -0.82862E-03 -0.26813E-03 5252 0.127E-01 0.494E-01 RMM: 5 -0.345780073748E+03 0.14550E-02 -0.10298E-03 4615 0.863E-02 0.225E-01 RMM: 6 -0.345779772330E+03 0.30142E-03 -0.26055E-04 3904 0.426E-02 0.918E-02 RMM: 7 -0.345779857399E+03 -0.85069E-04 -0.14253E-04 3880 0.320E-02 0.152E-01 RMM: 8 -0.345779712766E+03 0.14463E-03 -0.75227E-05 3566 0.257E-02 0.557E-02 RMM: 9 -0.345779696291E+03 0.16475E-04 -0.21313E-05 2610 0.137E-02 5821 T= 6073. E= 0.68308155E+03 F= 0.63284381E+03 E0= 0.66233061E+03 EK= 0.50238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344233339164E+03 0.15464E+01 -0.16304E-01 8364 0.224E+01 0.414E-01 RMM: 2 -0.344251668144E+03 -0.18329E-01 -0.84564E-02 4967 0.683E-01 0.142E+00 RMM: 3 -0.344237808977E+03 0.13859E-01 -0.10842E-02 5403 0.243E-01 0.265E-01 RMM: 4 -0.344239231803E+03 -0.14228E-02 -0.26008E-03 5268 0.124E-01 0.547E-01 RMM: 5 -0.344237413100E+03 0.18187E-02 -0.90954E-04 4595 0.809E-02 0.191E-01 RMM: 6 -0.344237207736E+03 0.20536E-03 -0.23066E-04 3899 0.392E-02 0.924E-02 RMM: 7 -0.344237260799E+03 -0.53063E-04 -0.11865E-04 3843 0.301E-02 0.136E-01 RMM: 8 -0.344237139214E+03 0.12159E-03 -0.60886E-05 3407 0.233E-02 0.370E-02 RMM: 9 -0.344237137978E+03 0.12363E-05 -0.14629E-05 2521 0.109E-02 5822 T= 5942. E= 0.68318087E+03 F= 0.63402200E+03 E0= 0.66348896E+03 EK= 0.49159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342853673456E+03 0.13835E+01 -0.15617E-01 8472 0.223E+01 0.364E-01 RMM: 2 -0.342865662174E+03 -0.11989E-01 -0.75562E-02 5057 0.630E-01 0.105E+00 RMM: 3 -0.342858042667E+03 0.76195E-02 -0.85367E-03 5430 0.210E-01 0.287E-01 RMM: 4 -0.342858763934E+03 -0.72127E-03 -0.21094E-03 5079 0.113E-01 0.444E-01 RMM: 5 -0.342857649443E+03 0.11145E-02 -0.83566E-04 4599 0.785E-02 0.217E-01 RMM: 6 -0.342857356875E+03 0.29257E-03 -0.22175E-04 3903 0.392E-02 0.753E-02 RMM: 7 -0.342857414239E+03 -0.57364E-04 -0.11647E-04 3858 0.300E-02 0.127E-01 RMM: 8 -0.342857310435E+03 0.10380E-03 -0.54301E-05 3350 0.223E-02 0.379E-02 RMM: 9 -0.342857305110E+03 0.53251E-05 -0.14325E-05 2506 0.111E-02 5823 T= 5983. E= 0.68453622E+03 F= 0.63504009E+03 E0= 0.66448735E+03 EK= 0.49496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341636869149E+03 0.12204E+01 -0.15913E-01 8688 0.226E+01 0.358E-01 RMM: 2 -0.341651290357E+03 -0.14421E-01 -0.77596E-02 5161 0.644E-01 0.121E+00 RMM: 3 -0.341641408398E+03 0.98820E-02 -0.83795E-03 5447 0.205E-01 0.244E-01 RMM: 4 -0.341642182640E+03 -0.77424E-03 -0.19904E-03 4929 0.109E-01 0.444E-01 RMM: 5 -0.341641002452E+03 0.11802E-02 -0.82990E-04 4603 0.778E-02 0.169E-01 RMM: 6 -0.341640882102E+03 0.12035E-03 -0.23124E-04 3901 0.391E-02 0.114E-01 RMM: 7 -0.341640888449E+03 -0.63477E-05 -0.12082E-04 3855 0.323E-02 5824 T= 6188. E= 0.68708921E+03 F= 0.63590188E+03 E0= 0.66533174E+03 EK= 0.51187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340544527680E+03 0.10964E+01 -0.17000E-01 8532 0.232E+01 0.350E-01 RMM: 2 -0.340557261966E+03 -0.12734E-01 -0.86093E-02 5250 0.666E-01 0.101E+00 RMM: 3 -0.340550126758E+03 0.71352E-02 -0.84162E-03 5475 0.200E-01 0.293E-01 RMM: 4 -0.340550324233E+03 -0.19748E-03 -0.17995E-03 4802 0.105E-01 0.369E-01 RMM: 5 -0.340549602108E+03 0.72213E-03 -0.10265E-03 4615 0.878E-02 0.213E-01 RMM: 6 -0.340549401923E+03 0.20018E-03 -0.31369E-04 3916 0.458E-02 0.134E-01 RMM: 7 -0.340549424870E+03 -0.22946E-04 -0.20535E-04 3897 0.413E-02 0.156E-01 RMM: 8 -0.340549270977E+03 0.15389E-03 -0.96921E-05 3691 0.289E-02 0.491E-02 RMM: 9 -0.340549265794E+03 0.51834E-05 -0.20713E-05 2605 0.135E-02 5825 T= 6496. E= 0.69038943E+03 F= 0.63664910E+03 E0= 0.66606347E+03 EK= 0.53740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339515246825E+03 0.10340E+01 -0.18663E-01 8052 0.238E+01 0.305E-01 RMM: 2 -0.339534481303E+03 -0.19234E-01 -0.11505E-01 5057 0.769E-01 0.124E+00 RMM: 3 -0.339523760577E+03 0.10721E-01 -0.12010E-02 5543 0.232E-01 0.223E-01 RMM: 4 -0.339523858485E+03 -0.97907E-04 -0.14785E-03 4767 0.909E-02 0.297E-01 RMM: 5 -0.339523339945E+03 0.51854E-03 -0.63332E-04 4607 0.690E-02 0.158E-01 RMM: 6 -0.339523273760E+03 0.66185E-04 -0.26756E-04 3910 0.425E-02 0.128E-01 RMM: 7 -0.339523279489E+03 -0.57286E-05 -0.12167E-04 3877 0.321E-02 5826 T= 6801. E= 0.69360741E+03 F= 0.63734143E+03 E0= 0.66674372E+03 EK= 0.56266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338502731734E+03 0.10205E+01 -0.19052E-01 8208 0.243E+01 0.381E-01 RMM: 2 -0.338522244201E+03 -0.19512E-01 -0.12578E-01 5228 0.825E-01 0.125E+00 RMM: 3 -0.338511587127E+03 0.10657E-01 -0.13813E-02 5607 0.245E-01 0.316E-01 RMM: 4 -0.338511371516E+03 0.21561E-03 -0.18780E-03 4806 0.103E-01 0.325E-01 RMM: 5 -0.338510802128E+03 0.56939E-03 -0.10920E-03 4614 0.911E-02 0.212E-01 RMM: 6 -0.338510672136E+03 0.12999E-03 -0.42043E-04 4241 0.529E-02 0.167E-01 RMM: 7 -0.338510647531E+03 0.24605E-04 -0.21497E-04 3888 0.423E-02 0.165E-01 RMM: 8 -0.338510470566E+03 0.17696E-03 -0.93152E-05 3661 0.286E-02 0.438E-02 RMM: 9 -0.338510477850E+03 -0.72833E-05 -0.30668E-05 2876 0.160E-02 5827 T= 6978. E= 0.69576004E+03 F= 0.63802910E+03 E0= 0.66742202E+03 EK= 0.57731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337489803908E+03 0.10207E+01 -0.19746E-01 8232 0.244E+01 0.337E-01 RMM: 2 -0.337513161533E+03 -0.23358E-01 -0.13536E-01 5144 0.840E-01 0.137E+00 RMM: 3 -0.337499980604E+03 0.13181E-01 -0.14866E-02 5622 0.249E-01 0.260E-01 RMM: 4 -0.337499829976E+03 0.15063E-03 -0.16773E-03 4778 0.949E-02 0.279E-01 RMM: 5 -0.337499439310E+03 0.39067E-03 -0.62711E-04 4612 0.671E-02 0.187E-01 RMM: 6 -0.337499261789E+03 0.17752E-03 -0.28898E-04 3910 0.442E-02 0.103E-01 RMM: 7 -0.337499342469E+03 -0.80680E-04 -0.12563E-04 3878 0.309E-02 0.153E-01 RMM: 8 -0.337499185512E+03 0.15696E-03 -0.68623E-05 3519 0.244E-02 0.370E-02 RMM: 9 -0.337499180192E+03 0.53201E-05 -0.12575E-05 2512 0.103E-02 5828 T= 6948. E= 0.69619419E+03 F= 0.63871962E+03 E0= 0.66810434E+03 EK= 0.57475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336521173636E+03 0.97801E+00 -0.19504E-01 8076 0.241E+01 0.372E-01 RMM: 2 -0.336539509151E+03 -0.18336E-01 -0.12753E-01 5195 0.802E-01 0.116E+00 RMM: 3 -0.336530131524E+03 0.93776E-02 -0.13360E-02 5672 0.235E-01 0.291E-01 RMM: 4 -0.336530424232E+03 -0.29271E-03 -0.20696E-03 4918 0.111E-01 0.396E-01 RMM: 5 -0.336529552529E+03 0.87170E-03 -0.83365E-04 4620 0.755E-02 0.218E-01 RMM: 6 -0.336529295330E+03 0.25720E-03 -0.33130E-04 3949 0.471E-02 0.111E-01 RMM: 7 -0.336529385634E+03 -0.90304E-04 -0.18005E-04 3890 0.371E-02 0.165E-01 RMM: 8 -0.336529205353E+03 0.18028E-03 -0.92588E-05 3666 0.283E-02 0.449E-02 RMM: 9 -0.336529197219E+03 0.81341E-05 -0.20130E-05 2578 0.130E-02 5829 T= 6725. E= 0.69500044E+03 F= 0.63936849E+03 E0= 0.66874503E+03 EK= 0.55632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335661973080E+03 0.86723E+00 -0.19772E-01 8100 0.237E+01 0.370E-01 RMM: 2 -0.335681254876E+03 -0.19282E-01 -0.12864E-01 5119 0.805E-01 0.122E+00 RMM: 3 -0.335670898186E+03 0.10357E-01 -0.13463E-02 5678 0.241E-01 0.262E-01 RMM: 4 -0.335671402315E+03 -0.50413E-03 -0.20222E-03 4951 0.108E-01 0.415E-01 RMM: 5 -0.335670380863E+03 0.10215E-02 -0.70673E-04 4609 0.694E-02 0.182E-01 RMM: 6 -0.335670203823E+03 0.17704E-03 -0.22650E-04 3899 0.388E-02 0.942E-02 RMM: 7 -0.335670273115E+03 -0.69292E-04 -0.12099E-04 3878 0.298E-02 0.143E-01 RMM: 8 -0.335670133406E+03 0.13971E-03 -0.65874E-05 3472 0.240E-02 0.334E-02 RMM: 9 -0.335670131208E+03 0.21983E-05 -0.14234E-05 2512 0.109E-02 5830 T= 6411. E= 0.69293826E+03 F= 0.63990249E+03 E0= 0.66926997E+03 EK= 0.53036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334983873124E+03 0.68626E+00 -0.19054E-01 7992 0.232E+01 0.371E-01 RMM: 2 -0.334999829526E+03 -0.15956E-01 -0.11777E-01 5248 0.751E-01 0.107E+00 RMM: 3 -0.334991664038E+03 0.81655E-02 -0.10857E-02 5631 0.216E-01 0.285E-01 RMM: 4 -0.334992401551E+03 -0.73751E-03 -0.21387E-03 4946 0.114E-01 0.452E-01 RMM: 5 -0.334991148820E+03 0.12527E-02 -0.79474E-04 4604 0.731E-02 0.194E-01 RMM: 6 -0.334990928077E+03 0.22074E-03 -0.26717E-04 3913 0.421E-02 0.869E-02 RMM: 7 -0.334991013054E+03 -0.84977E-04 -0.12303E-04 3877 0.305E-02 0.147E-01 RMM: 8 -0.334990866521E+03 0.14653E-03 -0.62011E-05 3436 0.233E-02 0.355E-02 RMM: 9 -0.334990863622E+03 0.28992E-05 -0.15327E-05 2517 0.112E-02 5831 T= 6130. E= 0.69096341E+03 F= 0.64025134E+03 E0= 0.66960812E+03 EK= 0.50712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334533531741E+03 0.45733E+00 -0.18515E-01 7992 0.228E+01 0.372E-01 RMM: 2 -0.334551149240E+03 -0.17617E-01 -0.11504E-01 5182 0.748E-01 0.120E+00 RMM: 3 -0.334541054412E+03 0.10095E-01 -0.11361E-02 5581 0.226E-01 0.236E-01 RMM: 4 -0.334542056766E+03 -0.10024E-02 -0.21733E-03 5046 0.114E-01 0.473E-01 RMM: 5 -0.334540651092E+03 0.14057E-02 -0.77150E-04 4609 0.725E-02 0.166E-01 RMM: 6 -0.334540511342E+03 0.13975E-03 -0.21380E-04 3885 0.372E-02 0.940E-02 RMM: 7 -0.334540552594E+03 -0.41252E-04 -0.11125E-04 3844 0.290E-02 0.129E-01 RMM: 8 -0.334540440824E+03 0.11177E-03 -0.58190E-05 3397 0.227E-02 0.333E-02 RMM: 9 -0.334540439549E+03 0.12750E-05 -0.14293E-05 2504 0.109E-02 5832 T= 5976. E= 0.68980501E+03 F= 0.64036720E+03 E0= 0.66971214E+03 EK= 0.49438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334337334685E+03 0.20311E+00 -0.17994E-01 8028 0.228E+01 0.369E-01 RMM: 2 -0.334355496970E+03 -0.18162E-01 -0.11252E-01 5168 0.753E-01 0.123E+00 RMM: 3 -0.334344905431E+03 0.10592E-01 -0.11570E-02 5526 0.228E-01 0.272E-01 RMM: 4 -0.334345488934E+03 -0.58350E-03 -0.22150E-03 5024 0.114E-01 0.421E-01 RMM: 5 -0.334344451945E+03 0.10370E-02 -0.76923E-04 4611 0.723E-02 0.197E-01 RMM: 6 -0.334344227258E+03 0.22469E-03 -0.24088E-04 3903 0.403E-02 0.866E-02 RMM: 7 -0.334344301186E+03 -0.73928E-04 -0.12118E-04 3868 0.302E-02 0.141E-01 RMM: 8 -0.334344166666E+03 0.13452E-03 -0.61825E-05 3428 0.236E-02 0.347E-02 RMM: 9 -0.334344164268E+03 0.23977E-05 -0.15084E-05 2524 0.112E-02 5833 T= 5993. E= 0.68980838E+03 F= 0.64022796E+03 E0= 0.66956119E+03 EK= 0.49580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334396826311E+03 -0.52660E-01 -0.18089E-01 7788 0.231E+01 0.352E-01 RMM: 2 -0.334415380488E+03 -0.18554E-01 -0.11926E-01 5234 0.768E-01 0.122E+00 RMM: 3 -0.334405037063E+03 0.10343E-01 -0.11866E-02 5613 0.225E-01 0.231E-01 RMM: 4 -0.334405593193E+03 -0.55613E-03 -0.19742E-03 4915 0.108E-01 0.402E-01 RMM: 5 -0.334404640356E+03 0.95284E-03 -0.74039E-04 4599 0.719E-02 0.178E-01 RMM: 6 -0.334404483041E+03 0.15732E-03 -0.21932E-04 3880 0.379E-02 0.100E-01 RMM: 7 -0.334404509613E+03 -0.26572E-04 -0.11519E-04 3858 0.307E-02 0.125E-01 RMM: 8 -0.334404404735E+03 0.10488E-03 -0.54034E-05 3332 0.221E-02 0.314E-02 RMM: 9 -0.334404406018E+03 -0.12828E-05 -0.13653E-05 2512 0.106E-02 5834 T= 6177. E= 0.69093252E+03 F= 0.63983508E+03 E0= 0.66915835E+03 EK= 0.51097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334693316021E+03 -0.28891E+00 -0.18927E-01 7764 0.236E+01 0.330E-01 RMM: 2 -0.334711278303E+03 -0.17962E-01 -0.12204E-01 5194 0.783E-01 0.114E+00 RMM: 3 -0.334702179917E+03 0.90984E-02 -0.11971E-02 5659 0.222E-01 0.242E-01 RMM: 4 -0.334702397650E+03 -0.21773E-03 -0.17046E-03 4873 0.101E-01 0.346E-01 RMM: 5 -0.334701717985E+03 0.67966E-03 -0.73699E-04 4599 0.734E-02 0.181E-01 RMM: 6 -0.334701571139E+03 0.14685E-03 -0.25609E-04 3898 0.412E-02 0.112E-01 RMM: 7 -0.334701595196E+03 -0.24057E-04 -0.12493E-04 3863 0.328E-02 0.133E-01 RMM: 8 -0.334701476509E+03 0.11869E-03 -0.56192E-05 3361 0.224E-02 0.322E-02 RMM: 9 -0.334701478388E+03 -0.18791E-05 -0.15550E-05 2530 0.113E-02 5835 T= 6472. E= 0.69274952E+03 F= 0.63921110E+03 E0= 0.66852730E+03 EK= 0.53538E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335183492304E+03 -0.48202E+00 -0.20368E-01 7824 0.241E+01 0.312E-01 RMM: 2 -0.335201290313E+03 -0.17798E-01 -0.13355E-01 5148 0.834E-01 0.104E+00 RMM: 3 -0.335193618379E+03 0.76719E-02 -0.13150E-02 5788 0.224E-01 0.213E-01 RMM: 4 -0.335193734374E+03 -0.11599E-03 -0.15642E-03 4889 0.989E-02 0.325E-01 RMM: 5 -0.335193112344E+03 0.62203E-03 -0.74450E-04 4595 0.747E-02 0.157E-01 RMM: 6 -0.335193084354E+03 0.27991E-04 -0.24381E-04 3888 0.399E-02 0.147E-01 RMM: 7 -0.335193002022E+03 0.82332E-04 -0.12099E-04 3857 0.337E-02 0.105E-01 RMM: 8 -0.335192930634E+03 0.71387E-04 -0.41769E-05 3188 0.193E-02 0.325E-02 RMM: 9 -0.335192935266E+03 -0.46314E-05 -0.15080E-05 2517 0.112E-02 5836 T= 6777. E= 0.69446573E+03 F= 0.63839913E+03 E0= 0.66771240E+03 EK= 0.56067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335812536971E+03 -0.61961E+00 -0.19611E-01 7920 0.246E+01 0.291E-01 RMM: 2 -0.335825132003E+03 -0.12595E-01 -0.11027E-01 5368 0.753E-01 0.790E-01 RMM: 3 -0.335820542496E+03 0.45895E-02 -0.89840E-03 5821 0.190E-01 0.220E-01 RMM: 4 -0.335820659110E+03 -0.11661E-03 -0.11939E-03 4677 0.869E-02 0.315E-01 RMM: 5 -0.335820062449E+03 0.59666E-03 -0.71879E-04 4599 0.746E-02 0.151E-01 RMM: 6 -0.335820063224E+03 -0.77572E-06 -0.27989E-04 3900 0.428E-02 0.156E-01 RMM: 7 -0.335819996341E+03 0.66883E-04 -0.13086E-04 3866 0.346E-02 0.126E-01 RMM: 8 -0.335819891294E+03 0.10505E-03 -0.52975E-05 3342 0.214E-02 0.353E-02 RMM: 9 -0.335819892126E+03 -0.83203E-06 -0.16527E-05 2530 0.118E-02 5837 T= 6971. E= 0.69512505E+03 F= 0.63745614E+03 E0= 0.66677089E+03 EK= 0.57669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336511756765E+03 -0.69187E+00 -0.19860E-01 7896 0.247E+01 0.300E-01 RMM: 2 -0.336525314093E+03 -0.13557E-01 -0.10816E-01 5284 0.755E-01 0.891E-01 RMM: 3 -0.336519514720E+03 0.57994E-02 -0.91877E-03 5774 0.196E-01 0.203E-01 RMM: 4 -0.336519768322E+03 -0.25360E-03 -0.13641E-03 4771 0.944E-02 0.337E-01 RMM: 5 -0.336519076634E+03 0.69169E-03 -0.75450E-04 4600 0.762E-02 0.146E-01 RMM: 6 -0.336519104858E+03 -0.28225E-04 -0.25583E-04 3894 0.407E-02 0.165E-01 RMM: 7 -0.336518985683E+03 0.11918E-03 -0.12783E-04 3855 0.349E-02 0.103E-01 RMM: 8 -0.336518915104E+03 0.70579E-04 -0.43055E-05 3192 0.196E-02 0.339E-02 RMM: 9 -0.336518918628E+03 -0.35233E-05 -0.15960E-05 2520 0.116E-02 5838 T= 6965. E= 0.69406328E+03 F= 0.63644159E+03 E0= 0.66576231E+03 EK= 0.57622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337231433698E+03 -0.71252E+00 -0.19252E-01 7992 0.245E+01 0.303E-01 RMM: 2 -0.337242672979E+03 -0.11239E-01 -0.97984E-02 5321 0.713E-01 0.768E-01 RMM: 3 -0.337238106222E+03 0.45668E-02 -0.80178E-03 5676 0.188E-01 0.219E-01 RMM: 4 -0.337238552791E+03 -0.44657E-03 -0.13605E-03 4763 0.937E-02 0.375E-01 RMM: 5 -0.337237685930E+03 0.86686E-03 -0.74271E-04 4594 0.750E-02 0.149E-01 RMM: 6 -0.337237653982E+03 0.31948E-04 -0.25482E-04 3888 0.408E-02 0.138E-01 RMM: 7 -0.337237617111E+03 0.36871E-04 -0.11711E-04 3850 0.328E-02 0.123E-01 RMM: 8 -0.337237515887E+03 0.10122E-03 -0.48247E-05 3281 0.207E-02 0.312E-02 RMM: 9 -0.337237519136E+03 -0.32490E-05 -0.17287E-05 2526 0.121E-02 5839 T= 6761. E= 0.69133276E+03 F= 0.63540319E+03 E0= 0.66473286E+03 EK= 0.55930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337938815578E+03 -0.70130E+00 -0.18431E-01 7824 0.240E+01 0.319E-01 RMM: 2 -0.337950002789E+03 -0.11187E-01 -0.10236E-01 5143 0.723E-01 0.737E-01 RMM: 3 -0.337945764739E+03 0.42381E-02 -0.93805E-03 5703 0.200E-01 0.227E-01 RMM: 4 -0.337946391449E+03 -0.62671E-03 -0.16120E-03 4999 0.102E-01 0.418E-01 RMM: 5 -0.337945265257E+03 0.11262E-02 -0.76131E-04 4589 0.748E-02 0.127E-01 RMM: 6 -0.337945274295E+03 -0.90384E-05 -0.20771E-04 3887 0.367E-02 0.140E-01 RMM: 7 -0.337945201404E+03 0.72891E-04 -0.99110E-05 3786 0.305E-02 0.101E-01 RMM: 8 -0.337945133042E+03 0.68362E-04 -0.37804E-05 3099 0.185E-02 0.302E-02 RMM: 9 -0.337945138272E+03 -0.52296E-05 -0.16652E-05 2517 0.118E-02 5840 T= 6445. E= 0.68768137E+03 F= 0.63436745E+03 E0= 0.66370720E+03 EK= 0.53314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338623332802E+03 -0.67820E+00 -0.17191E-01 7908 0.234E+01 0.338E-01 RMM: 2 -0.338632904485E+03 -0.95717E-02 -0.86433E-02 5143 0.664E-01 0.753E-01 RMM: 3 -0.338628674029E+03 0.42305E-02 -0.83097E-03 5563 0.197E-01 0.251E-01 RMM: 4 -0.338629489166E+03 -0.81514E-03 -0.16434E-03 4994 0.103E-01 0.453E-01 RMM: 5 -0.338628151453E+03 0.13377E-02 -0.73506E-04 4598 0.729E-02 0.130E-01 RMM: 6 -0.338628123951E+03 0.27502E-04 -0.21240E-04 3893 0.373E-02 0.122E-01 RMM: 7 -0.338628111624E+03 0.12327E-04 -0.95809E-05 3745 0.289E-02 5841 T= 6136. E= 0.68410762E+03 F= 0.63334604E+03 E0= 0.66269502E+03 EK= 0.50762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339277669383E+03 -0.64955E+00 -0.16372E-01 7740 0.229E+01 0.376E-01 RMM: 2 -0.339284819330E+03 -0.71499E-02 -0.79969E-02 5078 0.645E-01 0.617E-01 RMM: 3 -0.339282425675E+03 0.23937E-02 -0.83418E-03 5469 0.199E-01 0.329E-01 RMM: 4 -0.339283331162E+03 -0.90549E-03 -0.16775E-03 4929 0.100E-01 0.526E-01 RMM: 5 -0.339281513213E+03 0.18179E-02 -0.10003E-03 4603 0.848E-02 0.113E-01 RMM: 6 -0.339281598619E+03 -0.85406E-04 -0.26473E-04 3893 0.420E-02 0.167E-01 RMM: 7 -0.339281473841E+03 0.12478E-03 -0.11203E-04 3853 0.321E-02 0.108E-01 RMM: 8 -0.339281396104E+03 0.77737E-04 -0.49032E-05 3284 0.201E-02 0.361E-02 RMM: 9 -0.339281407644E+03 -0.11539E-04 -0.23495E-05 2615 0.141E-02 5842 T= 5932. E= 0.68141723E+03 F= 0.63234477E+03 E0= 0.66170075E+03 EK= 0.49072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339896833467E+03 -0.61544E+00 -0.15934E-01 7812 0.226E+01 0.316E-01 RMM: 2 -0.339905507560E+03 -0.86741E-02 -0.68954E-02 5034 0.603E-01 0.807E-01 RMM: 3 -0.339900994556E+03 0.45130E-02 -0.73501E-03 5509 0.184E-01 0.212E-01 RMM: 4 -0.339901871080E+03 -0.87652E-03 -0.14337E-03 4792 0.946E-02 0.441E-01 RMM: 5 -0.339900601940E+03 0.12691E-02 -0.66253E-04 4604 0.699E-02 0.113E-01 RMM: 6 -0.339900579534E+03 0.22406E-04 -0.17605E-04 3882 0.341E-02 0.104E-01 RMM: 7 -0.339900565023E+03 0.14511E-04 -0.68053E-05 3502 0.246E-02 5843 T= 5884. E= 0.68004475E+03 F= 0.63137138E+03 E0= 0.66073150E+03 EK= 0.48673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340464063185E+03 -0.56348E+00 -0.15842E-01 7848 0.227E+01 0.363E-01 RMM: 2 -0.340469611892E+03 -0.55487E-02 -0.66021E-02 5045 0.598E-01 0.561E-01 RMM: 3 -0.340467875130E+03 0.17368E-02 -0.72943E-03 5476 0.183E-01 0.320E-01 RMM: 4 -0.340468695893E+03 -0.82076E-03 -0.16017E-03 4835 0.101E-01 0.509E-01 RMM: 5 -0.340466978443E+03 0.17174E-02 -0.94235E-04 4600 0.817E-02 0.101E-01 RMM: 6 -0.340467132469E+03 -0.15403E-03 -0.25607E-04 3895 0.415E-02 0.191E-01 RMM: 7 -0.340466913788E+03 0.21868E-03 -0.11536E-04 3848 0.336E-02 0.763E-02 RMM: 8 -0.340466880427E+03 0.33361E-04 -0.33283E-05 2995 0.168E-02 0.413E-02 RMM: 9 -0.340466887582E+03 -0.71552E-05 -0.23211E-05 2558 0.143E-02 5844 T= 5997. E= 0.68006244E+03 F= 0.63044928E+03 E0= 0.65980984E+03 EK= 0.49613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340933820383E+03 -0.46694E+00 -0.16449E-01 8064 0.229E+01 0.284E-01 RMM: 2 -0.340942099012E+03 -0.82786E-02 -0.70057E-02 4961 0.633E-01 0.736E-01 RMM: 3 -0.340938557931E+03 0.35411E-02 -0.80565E-03 5694 0.179E-01 0.194E-01 RMM: 4 -0.340938988265E+03 -0.43033E-03 -0.12696E-03 4739 0.916E-02 0.361E-01 RMM: 5 -0.340938208655E+03 0.77961E-03 -0.67813E-04 4604 0.720E-02 0.149E-01 RMM: 6 -0.340938126276E+03 0.82379E-04 -0.22102E-04 3897 0.386E-02 0.105E-01 RMM: 7 -0.340938120412E+03 0.58640E-05 -0.90099E-05 3757 0.289E-02 5845 T= 6236. E= 0.68121235E+03 F= 0.62962520E+03 E0= 0.65898279E+03 EK= 0.51587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341249328352E+03 -0.31120E+00 -0.16763E-01 8280 0.234E+01 0.344E-01 RMM: 2 -0.341255872488E+03 -0.65441E-02 -0.68142E-02 5091 0.627E-01 0.639E-01 RMM: 3 -0.341253423477E+03 0.24490E-02 -0.76994E-03 5567 0.182E-01 0.258E-01 RMM: 4 -0.341254269708E+03 -0.84623E-03 -0.15933E-03 4805 0.101E-01 0.486E-01 RMM: 5 -0.341252746381E+03 0.15233E-02 -0.11037E-03 4605 0.909E-02 0.112E-01 RMM: 6 -0.341252889389E+03 -0.14301E-03 -0.33935E-04 3906 0.490E-02 0.195E-01 RMM: 7 -0.341252662085E+03 0.22730E-03 -0.14138E-04 3856 0.376E-02 0.773E-02 RMM: 8 -0.341252628700E+03 0.33385E-04 -0.33446E-05 2962 0.169E-02 0.434E-02 RMM: 9 -0.341252634622E+03 -0.59226E-05 -0.26258E-05 2594 0.153E-02 5846 T= 6522. E= 0.68291626E+03 F= 0.62896356E+03 E0= 0.65831445E+03 EK= 0.53953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341336735275E+03 -0.84107E-01 -0.17732E-01 8196 0.238E+01 0.247E-01 RMM: 2 -0.341344883032E+03 -0.81478E-02 -0.72157E-02 4968 0.650E-01 0.659E-01 RMM: 3 -0.341342059074E+03 0.28240E-02 -0.82499E-03 5788 0.176E-01 0.174E-01 RMM: 4 -0.341342181979E+03 -0.12290E-03 -0.10339E-03 4690 0.846E-02 0.289E-01 RMM: 5 -0.341341693845E+03 0.48813E-03 -0.61597E-04 4602 0.693E-02 0.132E-01 RMM: 6 -0.341341719294E+03 -0.25449E-04 -0.24187E-04 3910 0.402E-02 0.147E-01 RMM: 7 -0.341341625261E+03 0.94033E-04 -0.10132E-04 3814 0.312E-02 0.967E-02 RMM: 8 -0.341341563537E+03 0.61724E-04 -0.29953E-05 2968 0.168E-02 0.248E-02 RMM: 9 -0.341341566260E+03 -0.27236E-05 -0.10945E-05 2477 0.975E-03 5847 T= 6750. E= 0.68437211E+03 F= 0.62853349E+03 E0= 0.65787365E+03 EK= 0.55839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341142478941E+03 0.19908E+00 -0.18469E-01 8256 0.240E+01 0.311E-01 RMM: 2 -0.341149928790E+03 -0.74498E-02 -0.72188E-02 5033 0.645E-01 0.662E-01 RMM: 3 -0.341147234780E+03 0.26940E-02 -0.79543E-03 5740 0.176E-01 0.225E-01 RMM: 4 -0.341147690771E+03 -0.45599E-03 -0.15276E-03 4815 0.102E-01 0.397E-01 RMM: 5 -0.341146711880E+03 0.97889E-03 -0.93509E-04 4611 0.839E-02 0.144E-01 RMM: 6 -0.341146740550E+03 -0.28670E-04 -0.28457E-04 3904 0.438E-02 0.165E-01 RMM: 7 -0.341146601703E+03 0.13885E-03 -0.13150E-04 3854 0.366E-02 0.940E-02 RMM: 8 -0.341146545307E+03 0.56396E-04 -0.35078E-05 3032 0.179E-02 0.351E-02 RMM: 9 -0.341146552364E+03 -0.70570E-05 -0.18986E-05 2530 0.128E-02 5848 T= 6825. E= 0.68485409E+03 F= 0.62839130E+03 E0= 0.65771710E+03 EK= 0.56463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340639896825E+03 0.50665E+00 -0.18703E-01 8580 0.239E+01 0.299E-01 RMM: 2 -0.340647940373E+03 -0.80435E-02 -0.69406E-02 5023 0.634E-01 0.730E-01 RMM: 3 -0.340644415825E+03 0.35245E-02 -0.77284E-03 5638 0.182E-01 0.212E-01 RMM: 4 -0.340644871167E+03 -0.45534E-03 -0.14178E-03 4768 0.973E-02 0.375E-01 RMM: 5 -0.340643975270E+03 0.89590E-03 -0.77469E-04 4612 0.760E-02 0.130E-01 RMM: 6 -0.340643996780E+03 -0.21510E-04 -0.24518E-04 3897 0.404E-02 0.148E-01 RMM: 7 -0.340643906922E+03 0.89858E-04 -0.11133E-04 3838 0.327E-02 0.102E-01 RMM: 8 -0.340643838408E+03 0.68514E-04 -0.38783E-05 3138 0.188E-02 0.288E-02 RMM: 9 -0.340643845106E+03 -0.66977E-05 -0.16464E-05 2516 0.119E-02 5849 T= 6715. E= 0.68410435E+03 F= 0.62855736E+03 E0= 0.65786426E+03 EK= 0.55547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339851637985E+03 0.79220E+00 -0.18554E-01 8088 0.235E+01 0.319E-01 RMM: 2 -0.339859791621E+03 -0.81536E-02 -0.75472E-02 5033 0.641E-01 0.703E-01 RMM: 3 -0.339856450326E+03 0.33413E-02 -0.78471E-03 5698 0.177E-01 0.227E-01 RMM: 4 -0.339857133806E+03 -0.68348E-03 -0.16796E-03 4923 0.106E-01 0.430E-01 RMM: 5 -0.339855953567E+03 0.11802E-02 -0.78022E-04 4610 0.751E-02 0.129E-01 RMM: 6 -0.339855944841E+03 0.87260E-05 -0.20608E-04 3893 0.368E-02 0.130E-01 RMM: 7 -0.339855867779E+03 0.77062E-04 -0.92424E-05 3776 0.300E-02 0.872E-02 RMM: 8 -0.339855818091E+03 0.49688E-04 -0.31044E-05 2995 0.171E-02 0.289E-02 RMM: 9 -0.339855825452E+03 -0.73607E-05 -0.13363E-05 2503 0.104E-02 5850 T= 6466. E= 0.68249750E+03 F= 0.62900609E+03 E0= 0.65828866E+03 EK= 0.53491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338840269048E+03 0.10155E+01 -0.17643E-01 8364 0.231E+01 0.343E-01 RMM: 2 -0.338847701194E+03 -0.74321E-02 -0.68073E-02 5034 0.612E-01 0.737E-01 RMM: 3 -0.338844182613E+03 0.35186E-02 -0.71007E-03 5512 0.181E-01 0.270E-01 RMM: 4 -0.338845059180E+03 -0.87657E-03 -0.17675E-03 4952 0.106E-01 0.471E-01 RMM: 5 -0.338843614304E+03 0.14449E-02 -0.83224E-04 4602 0.770E-02 0.129E-01 RMM: 6 -0.338843562369E+03 0.51935E-04 -0.20374E-04 3889 0.368E-02 0.104E-01 RMM: 7 -0.338843553158E+03 0.92110E-05 -0.77636E-05 3621 0.265E-02 5851 T= 6181. E= 0.68080709E+03 F= 0.62967484E+03 E0= 0.65892712E+03 EK= 0.51132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337680727204E+03 0.11628E+01 -0.17257E-01 8352 0.227E+01 0.384E-01 RMM: 2 -0.337688037109E+03 -0.73099E-02 -0.70643E-02 5082 0.623E-01 0.753E-01 RMM: 3 -0.337684599092E+03 0.34380E-02 -0.76330E-03 5531 0.186E-01 0.302E-01 RMM: 4 -0.337685705516E+03 -0.11064E-02 -0.19877E-03 4975 0.110E-01 0.534E-01 RMM: 5 -0.337683808733E+03 0.18968E-02 -0.10492E-03 4600 0.868E-02 0.104E-01 RMM: 6 -0.337683881065E+03 -0.72331E-04 -0.20818E-04 3885 0.362E-02 0.153E-01 RMM: 7 -0.337683751921E+03 0.12914E-03 -0.86218E-05 3753 0.279E-02 0.867E-02 RMM: 8 -0.337683703850E+03 0.48071E-04 -0.33051E-05 3007 0.172E-02 0.328E-02 RMM: 9 -0.337683715008E+03 -0.11158E-04 -0.17625E-05 2541 0.120E-02 5852 T= 5962. E= 0.67980824E+03 F= 0.63048771E+03 E0= 0.65970220E+03 EK= 0.49321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336444206482E+03 0.12395E+01 -0.17427E-01 8520 0.225E+01 0.315E-01 RMM: 2 -0.336451616696E+03 -0.74102E-02 -0.72248E-02 5084 0.622E-01 0.663E-01 RMM: 3 -0.336448805091E+03 0.28116E-02 -0.72450E-03 5606 0.175E-01 0.269E-01 RMM: 4 -0.336449383576E+03 -0.57849E-03 -0.15843E-03 4834 0.993E-02 0.416E-01 RMM: 5 -0.336448253491E+03 0.11301E-02 -0.72284E-04 4600 0.718E-02 0.119E-01 RMM: 6 -0.336448186771E+03 0.66719E-04 -0.14299E-04 3876 0.310E-02 0.746E-02 RMM: 7 -0.336448181724E+03 0.50475E-05 -0.39731E-05 3083 0.196E-02 5853 T= 5880. E= 0.68001706E+03 F= 0.63137605E+03 E0= 0.66054487E+03 EK= 0.48641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335185130971E+03 0.12631E+01 -0.18237E-01 8412 0.226E+01 0.369E-01 RMM: 2 -0.335192722846E+03 -0.75919E-02 -0.74772E-02 5159 0.638E-01 0.728E-01 RMM: 3 -0.335189444587E+03 0.32783E-02 -0.76654E-03 5622 0.182E-01 0.281E-01 RMM: 4 -0.335190443893E+03 -0.99931E-03 -0.18298E-03 4885 0.107E-01 0.507E-01 RMM: 5 -0.335188729272E+03 0.17146E-02 -0.93281E-04 4608 0.810E-02 0.111E-01 RMM: 6 -0.335188761029E+03 -0.31757E-04 -0.20029E-04 3884 0.359E-02 0.137E-01 RMM: 7 -0.335188674300E+03 0.86729E-04 -0.90947E-05 3785 0.285E-02 0.952E-02 RMM: 8 -0.335188613829E+03 0.60471E-04 -0.37289E-05 3104 0.182E-02 0.312E-02 RMM: 9 -0.335188621753E+03 -0.79241E-05 -0.18377E-05 2537 0.123E-02 5854 T= 5963. E= 0.68162251E+03 F= 0.63229276E+03 E0= 0.66140706E+03 EK= 0.49330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333928782095E+03 0.12598E+01 -0.19342E-01 8460 0.230E+01 0.296E-01 RMM: 2 -0.333938352660E+03 -0.95706E-02 -0.77746E-02 5123 0.653E-01 0.799E-01 RMM: 3 -0.333933991855E+03 0.43608E-02 -0.77674E-03 5655 0.180E-01 0.218E-01 RMM: 4 -0.333934436478E+03 -0.44462E-03 -0.14219E-03 4740 0.946E-02 0.365E-01 RMM: 5 -0.333933610299E+03 0.82618E-03 -0.62032E-04 4585 0.670E-02 0.141E-01 RMM: 6 -0.333933510898E+03 0.99401E-04 -0.18554E-04 3881 0.355E-02 0.809E-02 RMM: 7 -0.333933529257E+03 -0.18359E-04 -0.63295E-05 3470 0.243E-02 5855 T= 6196. E= 0.68447521E+03 F= 0.63321379E+03 E0= 0.66226454E+03 EK= 0.51261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332683272255E+03 0.12502E+01 -0.20356E-01 8316 0.236E+01 0.338E-01 RMM: 2 -0.332692702892E+03 -0.94306E-02 -0.84661E-02 5255 0.679E-01 0.772E-01 RMM: 3 -0.332688700729E+03 0.40022E-02 -0.80755E-03 5621 0.189E-01 0.246E-01 RMM: 4 -0.332689402301E+03 -0.70157E-03 -0.15543E-03 4775 0.986E-02 0.436E-01 RMM: 5 -0.332688144610E+03 0.12577E-02 -0.81205E-04 4604 0.768E-02 0.123E-01 RMM: 6 -0.332688191611E+03 -0.47001E-04 -0.23820E-04 3894 0.393E-02 0.154E-01 RMM: 7 -0.332688085590E+03 0.10602E-03 -0.11650E-04 3856 0.332E-02 0.104E-01 RMM: 8 -0.332688013799E+03 0.71791E-04 -0.48352E-05 3259 0.206E-02 0.337E-02 RMM: 9 -0.332688021398E+03 -0.75995E-05 -0.18657E-05 2550 0.125E-02 5856 T= 6517. E= 0.68805215E+03 F= 0.63413675E+03 E0= 0.66311570E+03 EK= 0.53915E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331435215488E+03 0.12528E+01 -0.21592E-01 8568 0.243E+01 0.270E-01 RMM: 2 -0.331447676331E+03 -0.12461E-01 -0.96737E-02 5158 0.731E-01 0.862E-01 RMM: 3 -0.331442447280E+03 0.52291E-02 -0.91072E-03 5725 0.193E-01 0.207E-01 RMM: 4 -0.331442478072E+03 -0.30792E-04 -0.11408E-03 4721 0.842E-02 0.268E-01 RMM: 5 -0.331442053574E+03 0.42450E-03 -0.54296E-04 4583 0.647E-02 0.135E-01 RMM: 6 -0.331441990367E+03 0.63207E-04 -0.19468E-04 3887 0.366E-02 0.993E-02 RMM: 7 -0.331441992483E+03 -0.21162E-05 -0.76405E-05 3607 0.266E-02 5857 T= 6818. E= 0.69147539E+03 F= 0.63507187E+03 E0= 0.66397245E+03 EK= 0.56404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330183182025E+03 0.12588E+01 -0.22309E-01 8136 0.248E+01 0.333E-01 RMM: 2 -0.330195216158E+03 -0.12034E-01 -0.11409E-01 5186 0.796E-01 0.742E-01 RMM: 3 -0.330191300822E+03 0.39153E-02 -0.11057E-02 5786 0.216E-01 0.225E-01 RMM: 4 -0.330191967507E+03 -0.66668E-03 -0.15150E-03 4861 0.982E-02 0.432E-01 RMM: 5 -0.330190713922E+03 0.12536E-02 -0.74458E-04 4609 0.725E-02 0.107E-01 RMM: 6 -0.330190880186E+03 -0.16626E-03 -0.29555E-04 3905 0.447E-02 0.194E-01 RMM: 7 -0.330190668464E+03 0.21172E-03 -0.13193E-04 3861 0.358E-02 0.963E-02 RMM: 8 -0.330190609408E+03 0.59056E-04 -0.43023E-05 3191 0.188E-02 0.364E-02 RMM: 9 -0.330190615342E+03 -0.59347E-05 -0.22877E-05 2558 0.142E-02 5858 T= 6979. E= 0.69375685E+03 F= 0.63602154E+03 E0= 0.66484191E+03 EK= 0.57735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328942598843E+03 0.12480E+01 -0.22634E-01 8352 0.249E+01 0.281E-01 RMM: 2 -0.328957988844E+03 -0.15390E-01 -0.12436E-01 5000 0.829E-01 0.877E-01 RMM: 3 -0.328952292060E+03 0.56968E-02 -0.12608E-02 5822 0.225E-01 0.205E-01 RMM: 4 -0.328952358912E+03 -0.66853E-04 -0.12207E-03 4841 0.868E-02 0.288E-01 RMM: 5 -0.328951850268E+03 0.50864E-03 -0.50859E-04 4578 0.618E-02 0.130E-01 RMM: 6 -0.328951791946E+03 0.58322E-04 -0.18526E-04 3883 0.357E-02 0.979E-02 RMM: 7 -0.328951797776E+03 -0.58301E-05 -0.77977E-05 3613 0.262E-02 5859 T= 6930. E= 0.69428989E+03 F= 0.63696375E+03 E0= 0.66570643E+03 EK= 0.57326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327767466405E+03 0.11843E+01 -0.22352E-01 8376 0.246E+01 0.360E-01 RMM: 2 -0.327780956659E+03 -0.13490E-01 -0.13527E-01 5055 0.855E-01 0.696E-01 RMM: 3 -0.327777238746E+03 0.37179E-02 -0.13468E-02 5806 0.241E-01 0.262E-01 RMM: 4 -0.327778108013E+03 -0.86927E-03 -0.15962E-03 5052 0.980E-02 0.480E-01 RMM: 5 -0.327776537034E+03 0.15710E-02 -0.73983E-04 4590 0.717E-02 0.111E-01 RMM: 6 -0.327776607799E+03 -0.70764E-04 -0.27981E-04 3899 0.428E-02 0.158E-01 RMM: 7 -0.327776479197E+03 0.12860E-03 -0.12043E-04 3873 0.331E-02 0.915E-02 RMM: 8 -0.327776424728E+03 0.54469E-04 -0.34664E-05 3050 0.174E-02 0.343E-02 RMM: 9 -0.327776431808E+03 -0.70800E-05 -0.17824E-05 2530 0.121E-02 5860 T= 6695. E= 0.69322825E+03 F= 0.63784326E+03 E0= 0.66651719E+03 EK= 0.55385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326738293835E+03 0.10381E+01 -0.21819E-01 8508 0.240E+01 0.318E-01 RMM: 2 -0.326755581508E+03 -0.17288E-01 -0.14708E-01 4991 0.886E-01 0.876E-01 RMM: 3 -0.326749484487E+03 0.60970E-02 -0.14589E-02 5835 0.243E-01 0.227E-01 RMM: 4 -0.326749824267E+03 -0.33978E-03 -0.15809E-03 5035 0.980E-02 0.367E-01 RMM: 5 -0.326749021384E+03 0.80288E-03 -0.57256E-04 4583 0.638E-02 0.153E-01 RMM: 6 -0.326748876137E+03 0.14525E-03 -0.16689E-04 3892 0.341E-02 0.643E-02 RMM: 7 -0.326748925594E+03 -0.49457E-04 -0.76237E-05 3570 0.243E-02 0.111E-01 RMM: 8 -0.326748841487E+03 0.84107E-04 -0.38325E-05 3091 0.197E-02 0.257E-02 RMM: 9 -0.326748839631E+03 0.18554E-05 -0.88254E-06 2469 0.825E-03 5861 T= 6381. E= 0.69136314E+03 F= 0.63857254E+03 E0= 0.66718954E+03 EK= 0.52791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325957611527E+03 0.79123E+00 -0.19798E-01 8568 0.234E+01 0.354E-01 RMM: 2 -0.325970790841E+03 -0.13179E-01 -0.12518E-01 5285 0.793E-01 0.740E-01 RMM: 3 -0.325966356296E+03 0.44345E-02 -0.10517E-02 5742 0.210E-01 0.278E-01 RMM: 4 -0.325967052991E+03 -0.69669E-03 -0.18113E-03 4981 0.107E-01 0.451E-01 RMM: 5 -0.325965678916E+03 0.13741E-02 -0.80898E-04 4604 0.757E-02 0.126E-01 RMM: 6 -0.325965628169E+03 0.50747E-04 -0.19462E-04 3899 0.360E-02 0.102E-01 RMM: 7 -0.325965622930E+03 0.52387E-05 -0.85021E-05 3723 0.266E-02 5862 T= 6114. E= 0.68963667E+03 F= 0.63905393E+03 E0= 0.66762776E+03 EK= 0.50583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325505147412E+03 0.46048E+00 -0.18450E-01 8496 0.229E+01 0.375E-01 RMM: 2 -0.325520380241E+03 -0.15233E-01 -0.11724E-01 5315 0.777E-01 0.992E-01 RMM: 3 -0.325513017042E+03 0.73632E-02 -0.10758E-02 5564 0.223E-01 0.298E-01 RMM: 4 -0.325513479346E+03 -0.46230E-03 -0.19791E-03 4960 0.108E-01 0.421E-01 RMM: 5 -0.325512349549E+03 0.11298E-02 -0.76222E-04 4597 0.739E-02 0.155E-01 RMM: 6 -0.325512236413E+03 0.11314E-03 -0.18259E-04 3886 0.351E-02 0.946E-02 RMM: 7 -0.325512276805E+03 -0.40392E-04 -0.11083E-04 3866 0.289E-02 0.130E-01 RMM: 8 -0.325512161634E+03 0.11517E-03 -0.57931E-05 3392 0.227E-02 0.311E-02 RMM: 9 -0.325512163845E+03 -0.22108E-05 -0.14582E-05 2514 0.109E-02 5863 T= 5987. E= 0.68873364E+03 F= 0.63920332E+03 E0= 0.66774849E+03 EK= 0.49530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325437709521E+03 0.74452E-01 -0.17643E-01 8568 0.228E+01 0.307E-01 RMM: 2 -0.325449755115E+03 -0.12046E-01 -0.11124E-01 5319 0.753E-01 0.715E-01 RMM: 3 -0.325445487480E+03 0.42676E-02 -0.96704E-03 5709 0.206E-01 0.233E-01 RMM: 4 -0.325445937321E+03 -0.44984E-03 -0.13301E-03 4804 0.900E-02 0.370E-01 RMM: 5 -0.325445076502E+03 0.86082E-03 -0.53394E-04 4547 0.616E-02 0.141E-01 RMM: 6 -0.325444964996E+03 0.11151E-03 -0.16148E-04 3891 0.334E-02 0.697E-02 RMM: 7 -0.325444988303E+03 -0.23307E-04 -0.61462E-05 3419 0.230E-02 0.963E-02 RMM: 8 -0.325444926376E+03 0.61927E-04 -0.27051E-05 2869 0.169E-02 0.258E-02 RMM: 9 -0.325444924404E+03 0.19718E-05 -0.79975E-06 2463 0.793E-03 5864 T= 6041. E= 0.68893883E+03 F= 0.63896717E+03 E0= 0.66749617E+03 EK= 0.49972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325769060707E+03 -0.32413E+00 -0.17555E-01 8652 0.230E+01 0.320E-01 RMM: 2 -0.325782530252E+03 -0.13470E-01 -0.10703E-01 5357 0.740E-01 0.882E-01 RMM: 3 -0.325776478815E+03 0.60514E-02 -0.91852E-03 5654 0.200E-01 0.243E-01 RMM: 4 -0.325776711421E+03 -0.23261E-03 -0.15064E-03 4802 0.962E-02 0.339E-01 RMM: 5 -0.325776074835E+03 0.63659E-03 -0.67700E-04 4589 0.711E-02 0.182E-01 RMM: 6 -0.325775879127E+03 0.19571E-03 -0.18843E-04 3898 0.359E-02 0.818E-02 RMM: 7 -0.325775914146E+03 -0.35019E-04 -0.12163E-04 3887 0.315E-02 0.115E-01 RMM: 8 -0.325775823368E+03 0.90777E-04 -0.55416E-05 3358 0.227E-02 0.334E-02 RMM: 9 -0.325775822453E+03 0.91569E-06 -0.11811E-05 2504 0.998E-03 5865 T= 6261. E= 0.69012949E+03 F= 0.63833671E+03 E0= 0.66686097E+03 EK= 0.51793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326456650942E+03 -0.68083E+00 -0.17729E-01 8592 0.235E+01 0.287E-01 RMM: 2 -0.326469578849E+03 -0.12928E-01 -0.10885E-01 5339 0.749E-01 0.788E-01 RMM: 3 -0.326464535036E+03 0.50438E-02 -0.91402E-03 5778 0.197E-01 0.216E-01 RMM: 4 -0.326464656642E+03 -0.12161E-03 -0.11843E-03 4736 0.859E-02 0.298E-01 RMM: 5 -0.326464123744E+03 0.53290E-03 -0.59881E-04 4587 0.675E-02 0.146E-01 RMM: 6 -0.326464062213E+03 0.61531E-04 -0.21378E-04 3883 0.378E-02 0.116E-01 RMM: 7 -0.326464053657E+03 0.85553E-05 -0.10279E-04 3776 0.306E-02 5866 T= 6578. E= 0.69176883E+03 F= 0.63735475E+03 E0= 0.66588342E+03 EK= 0.54414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327408050922E+03 -0.94399E+00 -0.18338E-01 8676 0.241E+01 0.325E-01 RMM: 2 -0.327424075854E+03 -0.16025E-01 -0.11731E-01 5269 0.795E-01 0.102E+00 RMM: 3 -0.327416568131E+03 0.75077E-02 -0.10835E-02 5675 0.221E-01 0.261E-01 RMM: 4 -0.327416468478E+03 0.99653E-04 -0.13516E-03 4766 0.889E-02 0.289E-01 RMM: 5 -0.327415992982E+03 0.47550E-03 -0.90289E-04 4606 0.844E-02 0.170E-01 RMM: 6 -0.327415938840E+03 0.54142E-04 -0.32197E-04 3918 0.465E-02 0.150E-01 RMM: 7 -0.327415877228E+03 0.61612E-04 -0.15420E-04 3880 0.386E-02 0.124E-01 RMM: 8 -0.327415777300E+03 0.99928E-04 -0.46636E-05 3244 0.207E-02 0.383E-02 RMM: 9 -0.327415783651E+03 -0.63511E-05 -0.24812E-05 2645 0.145E-02 5867 T= 6872. E= 0.69296125E+03 F= 0.63611493E+03 E0= 0.66465497E+03 EK= 0.56846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328493981073E+03 -0.10782E+01 -0.18976E-01 8340 0.245E+01 0.266E-01 RMM: 2 -0.328510128687E+03 -0.16148E-01 -0.13138E-01 5065 0.851E-01 0.871E-01 RMM: 3 -0.328504341204E+03 0.57875E-02 -0.13316E-02 5837 0.233E-01 0.230E-01 RMM: 4 -0.328504029692E+03 0.31151E-03 -0.10681E-03 4799 0.793E-02 0.200E-01 RMM: 5 -0.328503807452E+03 0.22224E-03 -0.45824E-04 4561 0.596E-02 0.144E-01 RMM: 6 -0.328503740212E+03 0.67239E-04 -0.20806E-04 3880 0.381E-02 0.109E-01 RMM: 7 -0.328503743472E+03 -0.32598E-05 -0.86504E-05 3680 0.274E-02 5868 T= 7012. E= 0.69275292E+03 F= 0.63474198E+03 E0= 0.66329744E+03 EK= 0.58011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329598782105E+03 -0.10950E+01 -0.18928E-01 8436 0.246E+01 0.349E-01 RMM: 2 -0.329614598305E+03 -0.15816E-01 -0.12607E-01 5155 0.841E-01 0.987E-01 RMM: 3 -0.329607915964E+03 0.66823E-02 -0.12953E-02 5771 0.235E-01 0.268E-01 RMM: 4 -0.329607964368E+03 -0.48404E-04 -0.15423E-03 4870 0.971E-02 0.345E-01 RMM: 5 -0.329607174393E+03 0.78998E-03 -0.87132E-04 4592 0.805E-02 0.142E-01 RMM: 6 -0.329607226966E+03 -0.52573E-04 -0.29220E-04 3908 0.443E-02 0.171E-01 RMM: 7 -0.329607122161E+03 0.10481E-03 -0.16176E-04 3887 0.377E-02 0.131E-01 RMM: 8 -0.329607011616E+03 0.11055E-03 -0.71112E-05 3488 0.246E-02 0.389E-02 RMM: 9 -0.329607018727E+03 -0.71108E-05 -0.21059E-05 2575 0.134E-02 5869 T= 6929. E= 0.69067125E+03 F= 0.63335272E+03 E0= 0.66192477E+03 EK= 0.57319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330646863861E+03 -0.10399E+01 -0.19115E-01 8160 0.244E+01 0.294E-01 RMM: 2 -0.330662717970E+03 -0.15854E-01 -0.13529E-01 4932 0.862E-01 0.841E-01 RMM: 3 -0.330657520116E+03 0.51979E-02 -0.14563E-02 5836 0.241E-01 0.223E-01 RMM: 4 -0.330657549896E+03 -0.29780E-04 -0.13197E-03 4953 0.893E-02 0.301E-01 RMM: 5 -0.330656990971E+03 0.55892E-03 -0.51889E-04 4559 0.611E-02 0.138E-01 RMM: 6 -0.330656916202E+03 0.74769E-04 -0.20082E-04 3877 0.370E-02 0.969E-02 RMM: 7 -0.330656934440E+03 -0.18238E-04 -0.78274E-05 3592 0.259E-02 5870 T= 6656. E= 0.68707324E+03 F= 0.63201144E+03 E0= 0.66059951E+03 EK= 0.55062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331643943675E+03 -0.98703E+00 -0.17559E-01 7956 0.238E+01 0.382E-01 RMM: 2 -0.331657341497E+03 -0.13398E-01 -0.11254E-01 5132 0.788E-01 0.924E-01 RMM: 3 -0.331651547785E+03 0.57937E-02 -0.11855E-02 5638 0.232E-01 0.300E-01 RMM: 4 -0.331652198031E+03 -0.65025E-03 -0.19644E-03 5026 0.110E-01 0.458E-01 RMM: 5 -0.331650791902E+03 0.14061E-02 -0.83920E-04 4585 0.750E-02 0.146E-01 RMM: 6 -0.331650755517E+03 0.36385E-04 -0.26187E-04 3897 0.414E-02 0.136E-01 RMM: 7 -0.331650736469E+03 0.19048E-04 -0.13385E-04 3887 0.325E-02 5871 T= 6311. E= 0.68292422E+03 F= 0.63071774E+03 E0= 0.65931979E+03 EK= 0.52206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332622971949E+03 -0.97222E+00 -0.16744E-01 7884 0.233E+01 0.350E-01 RMM: 2 -0.332634946598E+03 -0.11975E-01 -0.10309E-01 4972 0.756E-01 0.833E-01 RMM: 3 -0.332630196530E+03 0.47501E-02 -0.11094E-02 5572 0.223E-01 0.272E-01 RMM: 4 -0.332630859796E+03 -0.66327E-03 -0.17588E-03 5030 0.103E-01 0.435E-01 RMM: 5 -0.332629669322E+03 0.11905E-02 -0.74536E-04 4595 0.723E-02 0.161E-01 RMM: 6 -0.332629532582E+03 0.13674E-03 -0.22861E-04 3898 0.390E-02 0.893E-02 RMM: 7 -0.332629557010E+03 -0.24428E-04 -0.91343E-05 3695 0.275E-02 0.117E-01 RMM: 8 -0.332629468117E+03 0.88893E-04 -0.36962E-05 3064 0.190E-02 0.356E-02 RMM: 9 -0.332629466776E+03 0.13413E-05 -0.16209E-05 2515 0.113E-02 5872 T= 6021. E= 0.67924307E+03 F= 0.62942974E+03 E0= 0.65804295E+03 EK= 0.49813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333632866228E+03 -0.10034E+01 -0.15798E-01 7668 0.229E+01 0.334E-01 RMM: 2 -0.333644039067E+03 -0.11173E-01 -0.80120E-02 5074 0.684E-01 0.941E-01 RMM: 3 -0.333638085174E+03 0.59539E-02 -0.90204E-03 5445 0.209E-01 0.258E-01 RMM: 4 -0.333638651744E+03 -0.56657E-03 -0.16542E-03 4934 0.101E-01 0.394E-01 RMM: 5 -0.333637711389E+03 0.94035E-03 -0.62638E-04 4546 0.656E-02 0.176E-01 RMM: 6 -0.333637517009E+03 0.19438E-03 -0.20850E-04 3891 0.379E-02 0.656E-02 RMM: 7 -0.333637573535E+03 -0.56526E-04 -0.72191E-05 3530 0.239E-02 0.117E-01 RMM: 8 -0.333637480689E+03 0.92846E-04 -0.36063E-05 3030 0.192E-02 0.287E-02 RMM: 9 -0.333637479193E+03 0.14962E-05 -0.10999E-05 2478 0.936E-03 5873 T= 5876. E= 0.67671445E+03 F= 0.62810487E+03 E0= 0.65672746E+03 EK= 0.48610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334684330450E+03 -0.10468E+01 -0.15640E-01 7692 0.228E+01 0.331E-01 RMM: 2 -0.334692273843E+03 -0.79434E-02 -0.70941E-02 5091 0.638E-01 0.729E-01 RMM: 3 -0.334688729499E+03 0.35443E-02 -0.73220E-03 5467 0.183E-01 0.244E-01 RMM: 4 -0.334689406721E+03 -0.67722E-03 -0.17283E-03 4942 0.107E-01 0.423E-01 RMM: 5 -0.334688234354E+03 0.11724E-02 -0.78764E-04 4600 0.746E-02 0.119E-01 RMM: 6 -0.334688225799E+03 0.85547E-05 -0.19308E-04 3907 0.355E-02 5874 T= 5908. E= 0.67560765E+03 F= 0.62673351E+03 E0= 0.65536467E+03 EK= 0.48874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335742961105E+03 -0.10547E+01 -0.15990E-01 8040 0.231E+01 0.437E-01 RMM: 2 -0.335775930353E+03 -0.32969E-01 -0.89972E-02 5127 0.733E-01 0.203E+00 RMM: 3 -0.335748155801E+03 0.27775E-01 -0.15260E-02 5361 0.304E-01 0.330E-01 RMM: 4 -0.335747873755E+03 0.28205E-03 -0.21736E-03 5026 0.103E-01 0.300E-01 RMM: 5 -0.335747616906E+03 0.25685E-03 -0.10724E-03 4613 0.895E-02 0.268E-01 RMM: 6 -0.335747223310E+03 0.39360E-03 -0.46090E-04 4391 0.563E-02 0.124E-01 RMM: 7 -0.335747277163E+03 -0.53853E-04 -0.21167E-04 3889 0.404E-02 0.163E-01 RMM: 8 -0.335747102697E+03 0.17447E-03 -0.11182E-04 3830 0.325E-02 0.494E-02 RMM: 9 -0.335747102028E+03 0.66913E-06 -0.25104E-05 2772 0.148E-02 5875 T= 6101. E= 0.67582299E+03 F= 0.62535477E+03 E0= 0.65399196E+03 EK= 0.50468E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336730596850E+03 -0.98349E+00 -0.17192E-01 8280 0.235E+01 0.397E-01 RMM: 2 -0.336768258434E+03 -0.37662E-01 -0.10394E-01 5047 0.759E-01 0.211E+00 RMM: 3 -0.336737602126E+03 0.30656E-01 -0.16367E-02 5357 0.311E-01 0.345E-01 RMM: 4 -0.336737003774E+03 0.59835E-03 -0.22604E-03 5095 0.104E-01 0.224E-01 RMM: 5 -0.336737013956E+03 -0.10182E-04 -0.70853E-04 4586 0.718E-02 0.253E-01 RMM: 6 -0.336736600257E+03 0.41370E-03 -0.31314E-04 3907 0.474E-02 0.780E-02 RMM: 7 -0.336736689562E+03 -0.89305E-04 -0.15681E-04 3883 0.344E-02 0.142E-01 RMM: 8 -0.336736556502E+03 0.13306E-03 -0.69321E-05 3490 0.249E-02 0.352E-02 RMM: 9 -0.336736551638E+03 0.48643E-05 -0.11484E-05 2500 0.992E-03 5876 T= 6390. E= 0.67691194E+03 F= 0.62404962E+03 E0= 0.65269245E+03 EK= 0.52862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337547087313E+03 -0.81053E+00 -0.18445E-01 8724 0.241E+01 0.347E-01 RMM: 2 -0.337570469019E+03 -0.23382E-01 -0.11887E-01 5121 0.800E-01 0.146E+00 RMM: 3 -0.337555884666E+03 0.14584E-01 -0.13874E-02 5455 0.259E-01 0.303E-01 RMM: 4 -0.337555426873E+03 0.45779E-03 -0.16980E-03 4838 0.926E-02 0.227E-01 RMM: 5 -0.337555224773E+03 0.20210E-03 -0.88594E-04 4608 0.843E-02 0.207E-01 RMM: 6 -0.337555061727E+03 0.16305E-03 -0.34471E-04 4031 0.483E-02 0.140E-01 RMM: 7 -0.337555054531E+03 0.71967E-05 -0.19507E-04 3885 0.406E-02 5877 T= 6672. E= 0.67811970E+03 F= 0.62292098E+03 E0= 0.65156823E+03 EK= 0.55199E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338097856818E+03 -0.54280E+00 -0.20279E-01 8712 0.244E+01 0.336E-01 RMM: 2 -0.338116889545E+03 -0.19033E-01 -0.13035E-01 5070 0.823E-01 0.114E+00 RMM: 3 -0.338107780401E+03 0.91091E-02 -0.13633E-02 5610 0.240E-01 0.272E-01 RMM: 4 -0.338107632249E+03 0.14815E-03 -0.16177E-03 4913 0.972E-02 0.303E-01 RMM: 5 -0.338107098742E+03 0.53351E-03 -0.10745E-03 4608 0.916E-02 0.179E-01 RMM: 6 -0.338107120626E+03 -0.21884E-04 -0.47880E-04 4409 0.561E-02 0.194E-01 RMM: 7 -0.338106989163E+03 0.13146E-03 -0.22487E-04 3884 0.442E-02 0.145E-01 RMM: 8 -0.338106854273E+03 0.13489E-03 -0.65965E-05 3475 0.246E-02 0.423E-02 RMM: 9 -0.338106871748E+03 -0.17475E-04 -0.36729E-05 2982 0.170E-02 5878 T= 6834. E= 0.67859932E+03 F= 0.62206358E+03 E0= 0.65071316E+03 EK= 0.56536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338327635307E+03 -0.22078E+00 -0.21018E-01 8472 0.245E+01 0.261E-01 RMM: 2 -0.338344364199E+03 -0.16729E-01 -0.13615E-01 5068 0.828E-01 0.880E-01 RMM: 3 -0.338338586597E+03 0.57776E-02 -0.13956E-02 5816 0.226E-01 0.202E-01 RMM: 4 -0.338338431600E+03 0.15500E-03 -0.11564E-03 4782 0.828E-02 0.242E-01 RMM: 5 -0.338338108132E+03 0.32347E-03 -0.51249E-04 4546 0.625E-02 0.145E-01 RMM: 6 -0.338338051902E+03 0.56231E-04 -0.22990E-04 3899 0.395E-02 0.116E-01 RMM: 7 -0.338338034328E+03 0.17573E-04 -0.83052E-05 3627 0.274E-02 5879 T= 6805. E= 0.67782166E+03 F= 0.62152862E+03 E0= 0.65017751E+03 EK= 0.56293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338246380838E+03 0.91671E-01 -0.20780E-01 8844 0.242E+01 0.372E-01 RMM: 2 -0.338260927188E+03 -0.14546E-01 -0.12420E-01 5148 0.783E-01 0.909E-01 RMM: 3 -0.338255235898E+03 0.56913E-02 -0.13082E-02 5722 0.227E-01 0.294E-01 RMM: 4 -0.338255655550E+03 -0.41965E-03 -0.20849E-03 5020 0.114E-01 0.425E-01 RMM: 5 -0.338254407530E+03 0.12480E-02 -0.10125E-03 4616 0.852E-02 0.136E-01 RMM: 6 -0.338254470533E+03 -0.63003E-04 -0.30474E-04 3910 0.443E-02 0.176E-01 RMM: 7 -0.338254358716E+03 0.11182E-03 -0.15766E-04 3883 0.376E-02 0.128E-01 RMM: 8 -0.338254250744E+03 0.10797E-03 -0.66825E-05 3469 0.237E-02 0.375E-02 RMM: 9 -0.338254263672E+03 -0.12928E-04 -0.24478E-05 2656 0.143E-02 5880 T= 6600. E= 0.67590579E+03 F= 0.62130715E+03 E0= 0.64995386E+03 EK= 0.54599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337911115489E+03 0.34314E+00 -0.20948E-01 8748 0.237E+01 0.302E-01 RMM: 2 -0.337925706808E+03 -0.14591E-01 -0.12729E-01 5099 0.784E-01 0.796E-01 RMM: 3 -0.337920623038E+03 0.50838E-02 -0.11515E-02 5912 0.210E-01 0.211E-01 RMM: 4 -0.337920927829E+03 -0.30479E-03 -0.13896E-03 4797 0.933E-02 0.350E-01 RMM: 5 -0.337920171051E+03 0.75678E-03 -0.57761E-04 4610 0.649E-02 0.143E-01 RMM: 6 -0.337920074615E+03 0.96436E-04 -0.19123E-04 3887 0.360E-02 0.870E-02 RMM: 7 -0.337920095008E+03 -0.20392E-04 -0.67689E-05 3521 0.247E-02 0.107E-01 RMM: 8 -0.337920016172E+03 0.78836E-04 -0.30074E-05 2949 0.173E-02 0.249E-02 RMM: 9 -0.337920018255E+03 -0.20833E-05 -0.11049E-05 2482 0.937E-03 5881 T= 6310. E= 0.67353484E+03 F= 0.62133241E+03 E0= 0.64997620E+03 EK= 0.52202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337421401605E+03 0.49861E+00 -0.19639E-01 8712 0.231E+01 0.357E-01 RMM: 2 -0.337433867819E+03 -0.12466E-01 -0.11414E-01 5299 0.727E-01 0.791E-01 RMM: 3 -0.337429025777E+03 0.48420E-02 -0.95575E-03 5672 0.201E-01 0.278E-01 RMM: 4 -0.337429796661E+03 -0.77088E-03 -0.19525E-03 4987 0.111E-01 0.458E-01 RMM: 5 -0.337428405128E+03 0.13915E-02 -0.83109E-04 4607 0.768E-02 0.143E-01 RMM: 6 -0.337428310861E+03 0.94266E-04 -0.17614E-04 3889 0.338E-02 0.939E-02 RMM: 7 -0.337428317339E+03 -0.64774E-05 -0.94360E-05 3800 0.275E-02 5882 T= 6049. E= 0.67155458E+03 F= 0.62151110E+03 E0= 0.65015250E+03 EK= 0.50043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336867775007E+03 0.56054E+00 -0.18174E-01 8760 0.227E+01 0.373E-01 RMM: 2 -0.336879347625E+03 -0.11573E-01 -0.10440E-01 5252 0.714E-01 0.809E-01 RMM: 3 -0.336874572951E+03 0.47747E-02 -0.96779E-03 5711 0.203E-01 0.286E-01 RMM: 4 -0.336875436563E+03 -0.86361E-03 -0.19869E-03 4954 0.110E-01 0.488E-01 RMM: 5 -0.336873860774E+03 0.15758E-02 -0.92044E-04 4611 0.810E-02 0.122E-01 RMM: 6 -0.336873847308E+03 0.13465E-04 -0.18385E-04 3876 0.339E-02 5883 T= 5906. E= 0.67061174E+03 F= 0.62175062E+03 E0= 0.65039245E+03 EK= 0.48861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336323024828E+03 0.55084E+00 -0.17843E-01 8388 0.226E+01 0.440E-01 RMM: 2 -0.336355186622E+03 -0.32162E-01 -0.12015E-01 5075 0.791E-01 0.185E+00 RMM: 3 -0.336331174140E+03 0.24012E-01 -0.17618E-02 5372 0.311E-01 0.350E-01 RMM: 4 -0.336330932242E+03 0.24190E-03 -0.25586E-03 5118 0.111E-01 0.324E-01 RMM: 5 -0.336330554024E+03 0.37822E-03 -0.82599E-04 4608 0.757E-02 0.250E-01 RMM: 6 -0.336330169423E+03 0.38460E-03 -0.31432E-04 3907 0.472E-02 0.902E-02 RMM: 7 -0.336330230961E+03 -0.61538E-04 -0.13776E-04 3872 0.322E-02 0.137E-01 RMM: 8 -0.336330113813E+03 0.11715E-03 -0.72253E-05 3555 0.258E-02 0.547E-02 RMM: 9 -0.336330097500E+03 0.16313E-04 -0.18432E-05 2569 0.131E-02 5884 T= 5927. E= 0.67101600E+03 F= 0.62198130E+03 E0= 0.65062578E+03 EK= 0.49035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335836219285E+03 0.49389E+00 -0.17091E-01 8148 0.228E+01 0.443E-01 RMM: 2 -0.335870445073E+03 -0.34226E-01 -0.10183E-01 5198 0.752E-01 0.202E+00 RMM: 3 -0.335842471967E+03 0.27973E-01 -0.16510E-02 5354 0.316E-01 0.422E-01 RMM: 4 -0.335841536726E+03 0.93524E-03 -0.26205E-03 5160 0.115E-01 0.242E-01 RMM: 5 -0.335841593074E+03 -0.56348E-04 -0.68787E-04 4596 0.684E-02 0.277E-01 RMM: 6 -0.335841086239E+03 0.50683E-03 -0.27431E-04 3887 0.443E-02 0.686E-02 RMM: 7 -0.335841126568E+03 -0.40329E-04 -0.11092E-04 3826 0.281E-02 0.107E-01 RMM: 8 -0.335841056396E+03 0.70173E-04 -0.43625E-05 3184 0.207E-02 0.461E-02 RMM: 9 -0.335841043231E+03 0.13165E-04 -0.11125E-05 2495 0.101E-02 5885 T= 6112. E= 0.67272902E+03 F= 0.62216334E+03 E0= 0.65081670E+03 EK= 0.50566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335413877820E+03 0.42718E+00 -0.17794E-01 7932 0.233E+01 0.353E-01 RMM: 2 -0.335435438733E+03 -0.21561E-01 -0.11137E-01 5090 0.787E-01 0.139E+00 RMM: 3 -0.335422031928E+03 0.13407E-01 -0.13293E-02 5455 0.252E-01 0.262E-01 RMM: 4 -0.335422029563E+03 0.23648E-05 -0.18729E-03 4919 0.101E-01 0.305E-01 RMM: 5 -0.335421628509E+03 0.40105E-03 -0.82213E-04 4608 0.786E-02 0.214E-01 RMM: 6 -0.335421369408E+03 0.25910E-03 -0.26384E-04 3901 0.426E-02 0.101E-01 RMM: 7 -0.335421398787E+03 -0.29380E-04 -0.16523E-04 3891 0.373E-02 0.128E-01 RMM: 8 -0.335421288547E+03 0.11024E-03 -0.74681E-05 3583 0.263E-02 0.399E-02 RMM: 9 -0.335421286660E+03 0.18873E-05 -0.15032E-05 2529 0.116E-02 5886 T= 6414. E= 0.67534865E+03 F= 0.62228530E+03 E0= 0.65095191E+03 EK= 0.53063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335057215055E+03 0.36407E+00 -0.18231E-01 7800 0.238E+01 0.299E-01 RMM: 2 -0.335071662897E+03 -0.14448E-01 -0.98439E-02 5160 0.748E-01 0.103E+00 RMM: 3 -0.335064468336E+03 0.71946E-02 -0.10300E-02 5544 0.217E-01 0.221E-01 RMM: 4 -0.335064489585E+03 -0.21249E-04 -0.12360E-03 4723 0.834E-02 0.271E-01 RMM: 5 -0.335064097365E+03 0.39222E-03 -0.63969E-04 4608 0.704E-02 0.167E-01 RMM: 6 -0.335063983936E+03 0.11343E-03 -0.25475E-04 3883 0.415E-02 0.111E-01 RMM: 7 -0.335063988380E+03 -0.44444E-05 -0.10610E-04 3822 0.319E-02 5887 T= 6738. E= 0.67809605E+03 F= 0.62235503E+03 E0= 0.65103820E+03 EK= 0.55741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334743934693E+03 0.32005E+00 -0.20001E-01 7812 0.243E+01 0.299E-01 RMM: 2 -0.334756872735E+03 -0.12938E-01 -0.11504E-01 5062 0.805E-01 0.744E-01 RMM: 3 -0.334752978644E+03 0.38941E-02 -0.11954E-02 5764 0.212E-01 0.228E-01 RMM: 4 -0.334753085114E+03 -0.10647E-03 -0.13655E-03 4897 0.951E-02 0.334E-01 RMM: 5 -0.334752348787E+03 0.73633E-03 -0.88550E-04 4606 0.823E-02 0.122E-01 RMM: 6 -0.334752497884E+03 -0.14910E-03 -0.29208E-04 3893 0.444E-02 0.197E-01 RMM: 7 -0.334752271190E+03 0.22669E-03 -0.15786E-04 3877 0.396E-02 0.906E-02 RMM: 8 -0.334752223209E+03 0.47981E-04 -0.38835E-05 3085 0.186E-02 0.422E-02 RMM: 9 -0.334752229927E+03 -0.67184E-05 -0.23624E-05 2594 0.143E-02 5888 T= 6961. E= 0.67997332E+03 F= 0.62238799E+03 E0= 0.65108938E+03 EK= 0.57585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334463928283E+03 0.28829E+00 -0.20184E-01 7908 0.246E+01 0.247E-01 RMM: 2 -0.334476292876E+03 -0.12365E-01 -0.10400E-01 4973 0.777E-01 0.767E-01 RMM: 3 -0.334472240302E+03 0.40526E-02 -0.11292E-02 5817 0.211E-01 0.196E-01 RMM: 4 -0.334472124876E+03 0.11543E-03 -0.97505E-04 4813 0.787E-02 0.225E-01 RMM: 5 -0.334471848527E+03 0.27635E-03 -0.45945E-04 4570 0.593E-02 0.143E-01 RMM: 6 -0.334471774334E+03 0.74193E-04 -0.21295E-04 3898 0.390E-02 0.997E-02 RMM: 7 -0.334471766982E+03 0.73527E-05 -0.69996E-05 3525 0.261E-02 5889 T= 6987. E= 0.68019715E+03 F= 0.62239506E+03 E0= 0.65111185E+03 EK= 0.57802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334215328661E+03 0.25645E+00 -0.19951E-01 7896 0.244E+01 0.321E-01 RMM: 2 -0.334227059679E+03 -0.11731E-01 -0.10920E-01 4959 0.794E-01 0.719E-01 RMM: 3 -0.334223514517E+03 0.35452E-02 -0.12160E-02 5774 0.217E-01 0.236E-01 RMM: 4 -0.334224023395E+03 -0.50888E-03 -0.16432E-03 5046 0.105E-01 0.413E-01 RMM: 5 -0.334222892884E+03 0.11305E-02 -0.81619E-04 4608 0.761E-02 0.120E-01 RMM: 6 -0.334222947300E+03 -0.54416E-04 -0.24988E-04 3898 0.411E-02 0.157E-01 RMM: 7 -0.334222839135E+03 0.10817E-03 -0.12881E-04 3865 0.352E-02 0.106E-01 RMM: 8 -0.334222766561E+03 0.72574E-04 -0.41951E-05 3142 0.195E-02 0.366E-02 RMM: 9 -0.334222773575E+03 -0.70144E-05 -0.21655E-05 2555 0.136E-02 5890 T= 6805. E= 0.67867018E+03 F= 0.62237197E+03 E0= 0.65109942E+03 EK= 0.56298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334013136739E+03 0.20963E+00 -0.19132E-01 7860 0.240E+01 0.272E-01 RMM: 2 -0.334025472978E+03 -0.12336E-01 -0.10210E-01 4855 0.777E-01 0.797E-01 RMM: 3 -0.334020998647E+03 0.44743E-02 -0.11619E-02 5710 0.221E-01 0.191E-01 RMM: 4 -0.334021197840E+03 -0.19919E-03 -0.12215E-03 4977 0.872E-02 0.299E-01 RMM: 5 -0.334020690127E+03 0.50771E-03 -0.46771E-04 4532 0.579E-02 0.152E-01 RMM: 6 -0.334020563851E+03 0.12628E-03 -0.18446E-04 3889 0.363E-02 0.750E-02 RMM: 7 -0.334020604401E+03 -0.40549E-04 -0.66416E-05 3509 0.241E-02 0.111E-01 RMM: 8 -0.334020518644E+03 0.85756E-04 -0.31631E-05 2977 0.181E-02 0.252E-02 RMM: 9 -0.334020518006E+03 0.63892E-06 -0.89566E-06 2474 0.854E-03 5891 T= 6497. E= 0.67604394E+03 F= 0.62229999E+03 E0= 0.65103196E+03 EK= 0.53744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333880024708E+03 0.14049E+00 -0.17450E-01 8028 0.235E+01 0.314E-01 RMM: 2 -0.333889134263E+03 -0.91096E-02 -0.79311E-02 5071 0.666E-01 0.726E-01 RMM: 3 -0.333885374029E+03 0.37602E-02 -0.81057E-03 5477 0.193E-01 0.229E-01 RMM: 4 -0.333886055422E+03 -0.68139E-03 -0.14854E-03 4951 0.973E-02 0.414E-01 RMM: 5 -0.333884947685E+03 0.11077E-02 -0.65533E-04 4578 0.684E-02 0.120E-01 RMM: 6 -0.333884907688E+03 0.39997E-04 -0.15506E-04 3876 0.317E-02 0.101E-01 RMM: 7 -0.333884884726E+03 0.22962E-04 -0.78806E-05 3626 0.263E-02 0.947E-02 RMM: 8 -0.333884825618E+03 0.59108E-04 -0.33690E-05 3043 0.182E-02 0.278E-02 RMM: 9 -0.333884828956E+03 -0.33379E-05 -0.12016E-05 2491 0.987E-03 5892 T= 6183. E= 0.67330519E+03 F= 0.62215758E+03 E0= 0.65088714E+03 EK= 0.51148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333819996548E+03 0.64829E-01 -0.16855E-01 7692 0.231E+01 0.319E-01 RMM: 2 -0.333830879440E+03 -0.10883E-01 -0.74908E-02 5043 0.663E-01 0.941E-01 RMM: 3 -0.333824884875E+03 0.59946E-02 -0.84480E-03 5457 0.199E-01 0.210E-01 RMM: 4 -0.333825457196E+03 -0.57232E-03 -0.14515E-03 4856 0.935E-02 0.378E-01 RMM: 5 -0.333824585605E+03 0.87159E-03 -0.55264E-04 4564 0.623E-02 0.156E-01 RMM: 6 -0.333824452163E+03 0.13344E-03 -0.16675E-04 3880 0.340E-02 0.790E-02 RMM: 7 -0.333824494737E+03 -0.42574E-04 -0.85107E-05 3638 0.262E-02 0.117E-01 RMM: 8 -0.333824399854E+03 0.94884E-04 -0.44143E-05 3187 0.209E-02 0.270E-02 RMM: 9 -0.333824399927E+03 -0.73518E-07 -0.10250E-05 2488 0.909E-03 5893 T= 5967. E= 0.67130056E+03 F= 0.62193661E+03 E0= 0.65065790E+03 EK= 0.49364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333822876934E+03 0.15229E-02 -0.16346E-01 7728 0.229E+01 0.293E-01 RMM: 2 -0.333830602382E+03 -0.77254E-02 -0.63587E-02 5078 0.606E-01 0.718E-01 RMM: 3 -0.333827093646E+03 0.35087E-02 -0.65891E-03 5456 0.171E-01 0.212E-01 RMM: 4 -0.333827672522E+03 -0.57888E-03 -0.13283E-03 4800 0.922E-02 0.383E-01 RMM: 5 -0.333826718492E+03 0.95403E-03 -0.61047E-04 4578 0.662E-02 0.113E-01 RMM: 6 -0.333826693157E+03 0.25335E-04 -0.14695E-04 3872 0.311E-02 0.102E-01 RMM: 7 -0.333826668322E+03 0.24835E-04 -0.66522E-05 3502 0.246E-02 0.924E-02 RMM: 8 -0.333826611580E+03 0.56742E-04 -0.28328E-05 2930 0.169E-02 0.252E-02 RMM: 9 -0.333826614771E+03 -0.31907E-05 -0.11135E-05 2481 0.943E-03 5894 T= 5907. E= 0.67051695E+03 F= 0.62165229E+03 E0= 0.65035985E+03 EK= 0.48865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333849050598E+03 -0.22439E-01 -0.16340E-01 7836 0.231E+01 0.290E-01 RMM: 2 -0.333858632532E+03 -0.95819E-02 -0.64066E-02 5085 0.619E-01 0.896E-01 RMM: 3 -0.333853291933E+03 0.53406E-02 -0.70454E-03 5469 0.180E-01 0.195E-01 RMM: 4 -0.333853647475E+03 -0.35554E-03 -0.11978E-03 4705 0.858E-02 0.329E-01 RMM: 5 -0.333853013841E+03 0.63363E-03 -0.53114E-04 4584 0.627E-02 0.152E-01 RMM: 6 -0.333852908595E+03 0.10525E-03 -0.17411E-04 3884 0.347E-02 0.932E-02 RMM: 7 -0.333852911829E+03 -0.32336E-05 -0.84504E-05 3669 0.277E-02 5895 T= 6011. E= 0.67107117E+03 F= 0.62134680E+03 E0= 0.65003660E+03 EK= 0.49724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333836676213E+03 0.16232E-01 -0.16450E-01 7836 0.235E+01 0.281E-01 RMM: 2 -0.333843919235E+03 -0.72430E-02 -0.65137E-02 5175 0.609E-01 0.642E-01 RMM: 3 -0.333841216009E+03 0.27032E-02 -0.63796E-03 5567 0.160E-01 0.215E-01 RMM: 4 -0.333841516131E+03 -0.30012E-03 -0.11730E-03 4705 0.886E-02 0.341E-01 RMM: 5 -0.333840733506E+03 0.78263E-03 -0.69923E-04 4594 0.723E-02 0.105E-01 RMM: 6 -0.333840848444E+03 -0.11494E-03 -0.23891E-04 3891 0.402E-02 0.173E-01 RMM: 7 -0.333840692451E+03 0.15599E-03 -0.10788E-04 3832 0.325E-02 0.919E-02 RMM: 8 -0.333840636718E+03 0.55734E-04 -0.33305E-05 3018 0.172E-02 0.324E-02 RMM: 9 -0.333840643569E+03 -0.68511E-05 -0.18430E-05 2540 0.124E-02 5896 T= 6243. E= 0.67273649E+03 F= 0.62108615E+03 E0= 0.64975532E+03 EK= 0.51650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333704072962E+03 0.13656E+00 -0.17112E-01 7848 0.241E+01 0.235E-01 RMM: 2 -0.333715487776E+03 -0.11415E-01 -0.80437E-02 5073 0.681E-01 0.870E-01 RMM: 3 -0.333710412147E+03 0.50756E-02 -0.86369E-03 5691 0.183E-01 0.164E-01 RMM: 4 -0.333710393809E+03 0.18338E-04 -0.82181E-04 4659 0.714E-02 0.225E-01 RMM: 5 -0.333710066558E+03 0.32725E-03 -0.38314E-04 4496 0.554E-02 0.106E-01 RMM: 6 -0.333710109672E+03 -0.43113E-04 -0.18887E-04 3882 0.360E-02 0.135E-01 RMM: 7 -0.333710037498E+03 0.72174E-04 -0.77024E-05 3590 0.267E-02 0.932E-02 RMM: 8 -0.333709978147E+03 0.59351E-04 -0.31293E-05 2962 0.173E-02 0.223E-02 RMM: 9 -0.333709980231E+03 -0.20836E-05 -0.97317E-06 2472 0.900E-03 5897 T= 6528. E= 0.67495273E+03 F= 0.62095211E+03 E0= 0.64959806E+03 EK= 0.54001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333375065334E+03 0.33491E+00 -0.17540E-01 8160 0.246E+01 0.248E-01 RMM: 2 -0.333383426432E+03 -0.83611E-02 -0.79609E-02 5259 0.662E-01 0.582E-01 RMM: 3 -0.333381130486E+03 0.22959E-02 -0.72653E-03 5855 0.160E-01 0.188E-01 RMM: 4 -0.333381122109E+03 0.83770E-05 -0.85114E-04 4655 0.767E-02 0.263E-01 RMM: 5 -0.333380652402E+03 0.46971E-03 -0.51128E-04 4572 0.620E-02 0.109E-01 RMM: 6 -0.333380792336E+03 -0.13993E-03 -0.27527E-04 3905 0.431E-02 0.184E-01 RMM: 7 -0.333380586055E+03 0.20628E-03 -0.12441E-04 3879 0.344E-02 0.741E-02 RMM: 8 -0.333380552499E+03 0.33555E-04 -0.22062E-05 2657 0.139E-02 0.338E-02 RMM: 9 -0.333380555308E+03 -0.28090E-05 -0.18520E-05 2518 0.124E-02 5898 T= 6757. E= 0.67692196E+03 F= 0.62102505E+03 E0= 0.64964645E+03 EK= 0.55897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332793359211E+03 0.58719E+00 -0.18191E-01 8160 0.248E+01 0.249E-01 RMM: 2 -0.332805406358E+03 -0.12047E-01 -0.91338E-02 5187 0.699E-01 0.843E-01 RMM: 3 -0.332800423206E+03 0.49832E-02 -0.87227E-03 5797 0.182E-01 0.175E-01 RMM: 4 -0.332800389053E+03 0.34153E-04 -0.86558E-04 4658 0.741E-02 0.242E-01 RMM: 5 -0.332800013799E+03 0.37525E-03 -0.41447E-04 4558 0.569E-02 0.114E-01 RMM: 6 -0.332800093384E+03 -0.79586E-04 -0.20063E-04 3880 0.365E-02 0.159E-01 RMM: 7 -0.332799961390E+03 0.13199E-03 -0.97829E-05 3754 0.294E-02 0.908E-02 RMM: 8 -0.332799906663E+03 0.54726E-04 -0.34942E-05 3053 0.176E-02 0.280E-02 RMM: 9 -0.332799912821E+03 -0.61577E-05 -0.15022E-05 2505 0.111E-02 5899 T= 6835. E= 0.67790346E+03 F= 0.62135571E+03 E0= 0.64995222E+03 EK= 0.56548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331956174073E+03 0.84373E+00 -0.18905E-01 8172 0.248E+01 0.247E-01 RMM: 2 -0.331965953474E+03 -0.97794E-02 -0.96387E-02 5261 0.696E-01 0.539E-01 RMM: 3 -0.331963514869E+03 0.24386E-02 -0.82687E-03 5905 0.174E-01 0.191E-01 RMM: 4 -0.331963584648E+03 -0.69779E-04 -0.88993E-04 4701 0.762E-02 0.280E-01 RMM: 5 -0.331963054458E+03 0.53019E-03 -0.44534E-04 4480 0.570E-02 0.103E-01 RMM: 6 -0.331963130628E+03 -0.76170E-04 -0.21954E-04 3885 0.390E-02 0.150E-01 RMM: 7 -0.331963000177E+03 0.13045E-03 -0.88311E-05 3693 0.285E-02 0.760E-02 RMM: 8 -0.331962962816E+03 0.37361E-04 -0.20853E-05 2595 0.136E-02 0.264E-02 RMM: 9 -0.331962967552E+03 -0.47359E-05 -0.14645E-05 2490 0.108E-02 5900 T= 6729. E= 0.67761589E+03 F= 0.62194658E+03 E0= 0.65051820E+03 EK= 0.55669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330910347360E+03 0.10526E+01 -0.19189E-01 8196 0.244E+01 0.258E-01 RMM: 2 -0.330921205675E+03 -0.10858E-01 -0.10749E-01 5224 0.719E-01 0.551E-01 RMM: 3 -0.330918552418E+03 0.26533E-02 -0.92529E-03 5907 0.182E-01 0.188E-01 RMM: 4 -0.330918751635E+03 -0.19922E-03 -0.99042E-04 4751 0.799E-02 0.315E-01 RMM: 5 -0.330918090897E+03 0.66074E-03 -0.44608E-04 4425 0.567E-02 0.938E-02 RMM: 6 -0.330918159163E+03 -0.68267E-04 -0.15948E-04 3878 0.332E-02 0.139E-01 RMM: 7 -0.330918070022E+03 0.89142E-04 -0.73828E-05 3589 0.249E-02 0.917E-02 RMM: 8 -0.330918013034E+03 0.56988E-04 -0.32937E-05 3011 0.173E-02 0.245E-02 RMM: 9 -0.330918017682E+03 -0.46476E-05 -0.12255E-05 2486 0.988E-03 5901 T= 6487. E= 0.67640910E+03 F= 0.62274700E+03 E0= 0.65129398E+03 EK= 0.53662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329739864799E+03 0.11781E+01 -0.18946E-01 8328 0.239E+01 0.286E-01 RMM: 2 -0.329751008859E+03 -0.11144E-01 -0.10176E-01 5308 0.706E-01 0.689E-01 RMM: 3 -0.329747106666E+03 0.39022E-02 -0.83326E-03 5854 0.184E-01 0.203E-01 RMM: 4 -0.329747491934E+03 -0.38527E-03 -0.11477E-03 4727 0.843E-02 0.351E-01 RMM: 5 -0.329746687996E+03 0.80394E-03 -0.45790E-04 4364 0.561E-02 0.120E-01 RMM: 6 -0.329746646796E+03 0.41200E-04 -0.15966E-04 3883 0.338E-02 0.978E-02 RMM: 7 -0.329746665278E+03 -0.18482E-04 -0.76183E-05 3570 0.238E-02 5902 T= 6209. E= 0.67503839E+03 F= 0.62367421E+03 E0= 0.65219594E+03 EK= 0.51364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328527517638E+03 0.12191E+01 -0.19022E-01 8340 0.234E+01 0.309E-01 RMM: 2 -0.328539305589E+03 -0.11788E-01 -0.10972E-01 5320 0.725E-01 0.695E-01 RMM: 3 -0.328535322299E+03 0.39833E-02 -0.90137E-03 5715 0.196E-01 0.240E-01 RMM: 4 -0.328535781956E+03 -0.45966E-03 -0.12902E-03 4751 0.867E-02 0.388E-01 RMM: 5 -0.328534777860E+03 0.10041E-02 -0.56462E-04 4587 0.625E-02 0.106E-01 RMM: 6 -0.328534788930E+03 -0.11069E-04 -0.15208E-04 3877 0.318E-02 5903 T= 5998. E= 0.67426643E+03 F= 0.62464290E+03 E0= 0.65313999E+03 EK= 0.49624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327342379487E+03 0.11924E+01 -0.19033E-01 8736 0.231E+01 0.401E-01 RMM: 2 -0.327369618013E+03 -0.27239E-01 -0.11886E-01 5255 0.767E-01 0.164E+00 RMM: 3 -0.327350652957E+03 0.18965E-01 -0.15471E-02 5355 0.296E-01 0.379E-01 RMM: 4 -0.327349958533E+03 0.69442E-03 -0.21053E-03 4934 0.998E-02 0.237E-01 RMM: 5 -0.327349903956E+03 0.54577E-04 -0.59833E-04 4600 0.627E-02 0.244E-01 RMM: 6 -0.327349520801E+03 0.38316E-03 -0.26490E-04 3903 0.428E-02 0.828E-02 RMM: 7 -0.327349570569E+03 -0.49768E-04 -0.12166E-04 3858 0.293E-02 0.122E-01 RMM: 8 -0.327349478492E+03 0.92077E-04 -0.49356E-05 3264 0.212E-02 0.536E-02 RMM: 9 -0.327349460755E+03 0.17736E-04 -0.15833E-05 2542 0.121E-02 5904 T= 5925. E= 0.67460080E+03 F= 0.62558819E+03 E0= 0.65405572E+03 EK= 0.49013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326219942369E+03 0.11295E+01 -0.19584E-01 8844 0.232E+01 0.434E-01 RMM: 2 -0.326261307151E+03 -0.41365E-01 -0.13012E-01 5197 0.811E-01 0.216E+00 RMM: 3 -0.326229041590E+03 0.32266E-01 -0.18487E-02 5372 0.328E-01 0.426E-01 RMM: 4 -0.326227902304E+03 0.11393E-02 -0.26641E-03 5145 0.113E-01 0.191E-01 RMM: 5 -0.326228085869E+03 -0.18356E-03 -0.52537E-04 4418 0.549E-02 0.270E-01 RMM: 6 -0.326227601483E+03 0.48439E-03 -0.25321E-04 3882 0.437E-02 0.627E-02 RMM: 7 -0.326227635923E+03 -0.34440E-04 -0.10211E-04 3735 0.269E-02 0.983E-02 RMM: 8 -0.326227575882E+03 0.60041E-04 -0.40184E-05 3112 0.200E-02 0.403E-02 RMM: 9 -0.326227566031E+03 0.98510E-05 -0.10386E-05 2487 0.975E-03 5905 T= 6013. E= 0.67621756E+03 F= 0.62647612E+03 E0= 0.65491059E+03 EK= 0.49741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325164786025E+03 0.10628E+01 -0.20140E-01 8988 0.235E+01 0.297E-01 RMM: 2 -0.325183768779E+03 -0.18983E-01 -0.11927E-01 5472 0.725E-01 0.115E+00 RMM: 3 -0.325173525604E+03 0.10243E-01 -0.94341E-03 5410 0.215E-01 0.240E-01 RMM: 4 -0.325173472368E+03 0.53236E-04 -0.13812E-03 4690 0.842E-02 0.250E-01 RMM: 5 -0.325173134783E+03 0.33759E-03 -0.44309E-04 4459 0.564E-02 0.153E-01 RMM: 6 -0.325173010662E+03 0.12412E-03 -0.14253E-04 3877 0.313E-02 0.800E-02 RMM: 7 -0.325173048030E+03 -0.37368E-04 -0.94187E-05 3774 0.268E-02 0.115E-01 RMM: 8 -0.325172961626E+03 0.86404E-04 -0.43657E-05 3203 0.206E-02 0.328E-02 RMM: 9 -0.325172958600E+03 0.30262E-05 -0.10662E-05 2489 0.923E-03 5906 T= 6243. E= 0.67894948E+03 F= 0.62730552E+03 E0= 0.65570145E+03 EK= 0.51644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324155458923E+03 0.10175E+01 -0.21979E-01 8892 0.240E+01 0.273E-01 RMM: 2 -0.324174697421E+03 -0.19238E-01 -0.14277E-01 5269 0.816E-01 0.101E+00 RMM: 3 -0.324166623069E+03 0.80744E-02 -0.11889E-02 5719 0.225E-01 0.215E-01 RMM: 4 -0.324166428638E+03 0.19443E-03 -0.11183E-03 4707 0.767E-02 0.204E-01 RMM: 5 -0.324166264194E+03 0.16444E-03 -0.35550E-04 4185 0.498E-02 0.164E-01 RMM: 6 -0.324166115689E+03 0.14850E-03 -0.17664E-04 3882 0.366E-02 0.767E-02 RMM: 7 -0.324166176686E+03 -0.60997E-04 -0.88788E-05 3660 0.262E-02 0.125E-01 RMM: 8 -0.324166070621E+03 0.10607E-03 -0.47942E-05 3247 0.217E-02 0.310E-02 RMM: 9 -0.324166067245E+03 0.33759E-05 -0.11820E-05 2492 0.101E-02 5907 T= 6547. E= 0.68226184E+03 F= 0.62809742E+03 E0= 0.65644880E+03 EK= 0.54164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323166959784E+03 0.99911E+00 -0.22831E-01 8868 0.245E+01 0.230E-01 RMM: 2 -0.323183273873E+03 -0.16314E-01 -0.15191E-01 5367 0.822E-01 0.629E-01 RMM: 3 -0.323179164854E+03 0.41090E-02 -0.11418E-02 5912 0.202E-01 0.166E-01 RMM: 4 -0.323179143325E+03 0.21530E-04 -0.89269E-04 4706 0.723E-02 0.240E-01 RMM: 5 -0.323178749558E+03 0.39377E-03 -0.34731E-04 4189 0.504E-02 0.889E-02 RMM: 6 -0.323178808191E+03 -0.58633E-04 -0.15116E-04 3873 0.323E-02 0.132E-01 RMM: 7 -0.323178726424E+03 0.81768E-04 -0.67964E-05 3510 0.248E-02 0.822E-02 RMM: 8 -0.323178682470E+03 0.43953E-04 -0.25574E-05 2841 0.157E-02 0.256E-02 RMM: 9 -0.323178685242E+03 -0.27724E-05 -0.13332E-05 2481 0.106E-02 5908 T= 6820. E= 0.68530023E+03 F= 0.62887976E+03 E0= 0.65718180E+03 EK= 0.56420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322181703308E+03 0.99698E+00 -0.23626E-01 8904 0.248E+01 0.252E-01 RMM: 2 -0.322201687757E+03 -0.19984E-01 -0.16077E-01 5271 0.866E-01 0.905E-01 RMM: 3 -0.322194736670E+03 0.69511E-02 -0.13017E-02 5920 0.221E-01 0.200E-01 RMM: 4 -0.322194527591E+03 0.20908E-03 -0.10059E-03 4757 0.760E-02 0.205E-01 RMM: 5 -0.322194292296E+03 0.23530E-03 -0.33566E-04 4124 0.491E-02 0.131E-01 RMM: 6 -0.322194229884E+03 0.62412E-04 -0.15759E-04 3876 0.341E-02 0.938E-02 RMM: 7 -0.322194250321E+03 -0.20438E-04 -0.76785E-05 3568 0.250E-02 0.114E-01 RMM: 8 -0.322194163217E+03 0.87105E-04 -0.40665E-05 3138 0.199E-02 0.277E-02 RMM: 9 -0.322194164173E+03 -0.95629E-06 -0.12402E-05 2492 0.100E-02 5909 T= 6950. E= 0.68716209E+03 F= 0.62966744E+03 E0= 0.65791738E+03 EK= 0.57495E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321212340039E+03 0.98182E+00 -0.23840E-01 8796 0.249E+01 0.254E-01 RMM: 2 -0.321232094000E+03 -0.19754E-01 -0.16846E-01 5299 0.889E-01 0.825E-01 RMM: 3 -0.321226146662E+03 0.59473E-02 -0.13861E-02 5959 0.225E-01 0.170E-01 RMM: 4 -0.321226136894E+03 0.97681E-05 -0.10449E-03 4817 0.780E-02 0.251E-01 RMM: 5 -0.321225740255E+03 0.39664E-03 -0.33144E-04 4050 0.480E-02 0.116E-01 RMM: 6 -0.321225697340E+03 0.42914E-04 -0.14513E-04 3872 0.326E-02 0.912E-02 RMM: 7 -0.321225714186E+03 -0.16846E-04 -0.73319E-05 3531 0.243E-02 5910 T= 6880. E= 0.68735959E+03 F= 0.63044460E+03 E0= 0.65864428E+03 EK= 0.56915E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320300666686E+03 0.92503E+00 -0.23509E-01 8640 0.246E+01 0.274E-01 RMM: 2 -0.320320913463E+03 -0.20247E-01 -0.17778E-01 5204 0.927E-01 0.797E-01 RMM: 3 -0.320315348866E+03 0.55646E-02 -0.15642E-02 5885 0.239E-01 0.220E-01 RMM: 4 -0.320315295589E+03 0.53278E-04 -0.12681E-03 4932 0.861E-02 0.281E-01 RMM: 5 -0.320314762019E+03 0.53357E-03 -0.38747E-04 4180 0.501E-02 0.102E-01 RMM: 6 -0.320314769674E+03 -0.76546E-05 -0.15108E-04 3874 0.329E-02 5911 T= 6643. E= 0.68612403E+03 F= 0.63116728E+03 E0= 0.65932257E+03 EK= 0.54957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319504843379E+03 0.80992E+00 -0.21148E-01 8616 0.241E+01 0.401E-01 RMM: 2 -0.319542170385E+03 -0.37327E-01 -0.15889E-01 5082 0.896E-01 0.187E+00 RMM: 3 -0.319516760375E+03 0.25410E-01 -0.19777E-02 5377 0.328E-01 0.338E-01 RMM: 4 -0.319516095490E+03 0.66489E-03 -0.23542E-03 5154 0.102E-01 0.187E-01 RMM: 5 -0.319516062483E+03 0.33006E-04 -0.43146E-04 4132 0.490E-02 0.198E-01 RMM: 6 -0.319515806656E+03 0.25583E-03 -0.20028E-04 3901 0.394E-02 0.692E-02 RMM: 7 -0.319515858823E+03 -0.52167E-04 -0.85511E-05 3596 0.244E-02 0.115E-01 RMM: 8 -0.319515776109E+03 0.82714E-04 -0.46797E-05 3206 0.213E-02 0.506E-02 RMM: 9 -0.319515760313E+03 0.15797E-04 -0.15160E-05 2517 0.118E-02 5912 T= 6342. E= 0.68424152E+03 F= 0.63177940E+03 E0= 0.65989737E+03 EK= 0.52462E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318865364039E+03 0.65041E+00 -0.19178E-01 8484 0.237E+01 0.366E-01 RMM: 2 -0.318897760238E+03 -0.32396E-01 -0.14940E-01 5107 0.859E-01 0.170E+00 RMM: 3 -0.318876743650E+03 0.21017E-01 -0.17191E-02 5374 0.303E-01 0.328E-01 RMM: 4 -0.318876174677E+03 0.56897E-03 -0.22395E-03 5095 0.102E-01 0.206E-01 RMM: 5 -0.318876075812E+03 0.98864E-04 -0.38655E-04 4133 0.488E-02 0.182E-01 RMM: 6 -0.318875852266E+03 0.22355E-03 -0.12445E-04 3849 0.308E-02 0.529E-02 RMM: 7 -0.318875875592E+03 -0.23326E-04 -0.63423E-05 3378 0.213E-02 0.834E-02 RMM: 8 -0.318875834182E+03 0.41410E-04 -0.40109E-05 2990 0.199E-02 0.420E-02 RMM: 9 -0.318875823553E+03 0.10629E-04 -0.12026E-05 2483 0.103E-02 5913 T= 6088. E= 0.68260048E+03 F= 0.63223356E+03 E0= 0.66032722E+03 EK= 0.50367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318411550581E+03 0.46428E+00 -0.17661E-01 8064 0.235E+01 0.309E-01 RMM: 2 -0.318432978351E+03 -0.21428E-01 -0.13115E-01 5022 0.824E-01 0.123E+00 RMM: 3 -0.318421897841E+03 0.11081E-01 -0.14155E-02 5532 0.254E-01 0.246E-01 RMM: 4 -0.318421753741E+03 0.14410E-03 -0.15738E-03 4919 0.900E-02 0.240E-01 RMM: 5 -0.318421500135E+03 0.25361E-03 -0.32648E-04 3964 0.441E-02 0.169E-01 RMM: 6 -0.318421312775E+03 0.18736E-03 -0.12661E-04 3852 0.316E-02 0.564E-02 RMM: 7 -0.318421370379E+03 -0.57604E-04 -0.94858E-05 3718 0.259E-02 0.114E-01 RMM: 8 -0.318421281972E+03 0.88407E-04 -0.48282E-05 3254 0.217E-02 0.319E-02 RMM: 9 -0.318421277359E+03 0.46127E-05 -0.11049E-05 2484 0.962E-03 5914 T= 5964. E= 0.68184290E+03 F= 0.63250454E+03 E0= 0.66058619E+03 EK= 0.49338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318150007784E+03 0.27127E+00 -0.17269E-01 7800 0.235E+01 0.259E-01 RMM: 2 -0.318165118413E+03 -0.15111E-01 -0.12000E-01 5014 0.792E-01 0.857E-01 RMM: 3 -0.318159687693E+03 0.54307E-02 -0.12746E-02 5795 0.222E-01 0.181E-01 RMM: 4 -0.318159723968E+03 -0.36274E-04 -0.10395E-03 4744 0.757E-02 0.255E-01 RMM: 5 -0.318159328088E+03 0.39588E-03 -0.28609E-04 3960 0.441E-02 0.119E-01 RMM: 6 -0.318159248029E+03 0.80059E-04 -0.11469E-04 3800 0.300E-02 0.620E-02 RMM: 7 -0.318159289217E+03 -0.41188E-04 -0.59053E-05 3382 0.215E-02 0.106E-01 RMM: 8 -0.318159212970E+03 0.76247E-04 -0.33525E-05 2948 0.188E-02 0.274E-02 RMM: 9 -0.318159210491E+03 0.24797E-05 -0.11019E-05 2471 0.957E-03 5915 T= 6003. E= 0.68224908E+03 F= 0.63258719E+03 E0= 0.66067012E+03 EK= 0.49662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318073984249E+03 0.85229E-01 -0.17486E-01 7716 0.238E+01 0.246E-01 RMM: 2 -0.318088385400E+03 -0.14401E-01 -0.11325E-01 5031 0.776E-01 0.846E-01 RMM: 3 -0.318083183149E+03 0.52023E-02 -0.12122E-02 5847 0.211E-01 0.173E-01 RMM: 4 -0.318083108032E+03 0.75117E-04 -0.97211E-04 4688 0.748E-02 0.221E-01 RMM: 5 -0.318082803105E+03 0.30493E-03 -0.27045E-04 3952 0.435E-02 0.103E-01 RMM: 6 -0.318082762463E+03 0.40642E-04 -0.90361E-05 3631 0.268E-02 0.742E-02 RMM: 7 -0.318082771476E+03 -0.90126E-05 -0.58421E-05 3344 0.217E-02 5916 T= 6195. E= 0.68373586E+03 F= 0.63249036E+03 E0= 0.66058658E+03 EK= 0.51245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318164492939E+03 -0.81730E-01 -0.18628E-01 7716 0.243E+01 0.245E-01 RMM: 2 -0.318179103635E+03 -0.14611E-01 -0.11890E-01 5056 0.805E-01 0.830E-01 RMM: 3 -0.318174321525E+03 0.47821E-02 -0.12715E-02 5890 0.211E-01 0.186E-01 RMM: 4 -0.318174134971E+03 0.18655E-03 -0.89062E-04 4704 0.724E-02 0.207E-01 RMM: 5 -0.318173853957E+03 0.28101E-03 -0.28908E-04 4000 0.459E-02 0.101E-01 RMM: 6 -0.318173863543E+03 -0.95858E-05 -0.13707E-04 3880 0.320E-02 5917 T= 6482. E= 0.68585530E+03 F= 0.63223336E+03 E0= 0.66035508E+03 EK= 0.53622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318401334531E+03 -0.22748E+00 -0.18795E-01 7584 0.248E+01 0.381E-01 RMM: 2 -0.318437578805E+03 -0.36244E-01 -0.12270E-01 5081 0.851E-01 0.198E+00 RMM: 3 -0.318410616509E+03 0.26962E-01 -0.18432E-02 5372 0.322E-01 0.324E-01 RMM: 4 -0.318409973245E+03 0.64326E-03 -0.20364E-03 4859 0.887E-02 0.153E-01 RMM: 5 -0.318409900869E+03 0.72376E-04 -0.38944E-04 4335 0.519E-02 0.153E-01 RMM: 6 -0.318409769801E+03 0.13107E-03 -0.18965E-04 3883 0.381E-02 0.859E-02 RMM: 7 -0.318409835533E+03 -0.65732E-04 -0.11660E-04 3843 0.293E-02 0.133E-01 RMM: 8 -0.318409721883E+03 0.11365E-03 -0.56687E-05 3357 0.232E-02 0.502E-02 RMM: 9 -0.318409708111E+03 0.13773E-04 -0.17591E-05 2540 0.125E-02 5918 T= 6768. E= 0.68782577E+03 F= 0.63183900E+03 E0= 0.65999391E+03 EK= 0.55987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318757967630E+03 -0.34825E+00 -0.19396E-01 7416 0.252E+01 0.356E-01 RMM: 2 -0.318792735668E+03 -0.34768E-01 -0.12505E-01 5056 0.860E-01 0.190E+00 RMM: 3 -0.318767724709E+03 0.25011E-01 -0.17041E-02 5359 0.310E-01 0.366E-01 RMM: 4 -0.318766783146E+03 0.94156E-03 -0.20751E-03 5017 0.966E-02 0.127E-01 RMM: 5 -0.318766796290E+03 -0.13144E-04 -0.37591E-04 4270 0.504E-02 0.159E-01 RMM: 6 -0.318766630725E+03 0.16557E-03 -0.13188E-04 3875 0.312E-02 0.568E-02 RMM: 7 -0.318766680152E+03 -0.49427E-04 -0.77415E-05 3537 0.233E-02 0.107E-01 RMM: 8 -0.318766607224E+03 0.72928E-04 -0.41662E-05 3116 0.210E-02 0.357E-02 RMM: 9 -0.318766599814E+03 0.74105E-05 -0.10077E-05 2479 0.927E-03 5919 T= 6940. E= 0.68874485E+03 F= 0.63132977E+03 E0= 0.65952374E+03 EK= 0.57415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319213304089E+03 -0.44670E+00 -0.19982E-01 7356 0.253E+01 0.277E-01 RMM: 2 -0.319234572217E+03 -0.21268E-01 -0.12284E-01 5053 0.852E-01 0.129E+00 RMM: 3 -0.319223273241E+03 0.11299E-01 -0.13560E-02 5466 0.248E-01 0.225E-01 RMM: 4 -0.319222972953E+03 0.30029E-03 -0.12301E-03 4710 0.767E-02 0.160E-01 RMM: 5 -0.319222857372E+03 0.11558E-03 -0.30159E-04 4062 0.471E-02 0.132E-01 RMM: 6 -0.319222771133E+03 0.86239E-04 -0.13735E-04 3878 0.322E-02 0.831E-02 RMM: 7 -0.319222801198E+03 -0.30065E-04 -0.10289E-04 3802 0.281E-02 0.114E-01 RMM: 8 -0.319222713051E+03 0.88148E-04 -0.49885E-05 3269 0.218E-02 0.300E-02 RMM: 9 -0.319222713387E+03 -0.33657E-06 -0.14425E-05 2504 0.111E-02 5920 T= 6925. E= 0.68801639E+03 F= 0.63072554E+03 E0= 0.65896020E+03 EK= 0.57291E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319755223994E+03 -0.53251E+00 -0.20307E-01 7680 0.250E+01 0.248E-01 RMM: 2 -0.319772408278E+03 -0.17184E-01 -0.12533E-01 4954 0.856E-01 0.990E-01 RMM: 3 -0.319765606790E+03 0.68015E-02 -0.13942E-02 5639 0.236E-01 0.174E-01 RMM: 4 -0.319765441263E+03 0.16553E-03 -0.98027E-04 4779 0.713E-02 0.179E-01 RMM: 5 -0.319765242580E+03 0.19868E-03 -0.23930E-04 3930 0.412E-02 0.104E-01 RMM: 6 -0.319765207271E+03 0.35308E-04 -0.11885E-04 3812 0.301E-02 0.817E-02 RMM: 7 -0.319765219122E+03 -0.11850E-04 -0.63162E-05 3438 0.227E-02 5921 T= 6730. E= 0.68571331E+03 F= 0.63003700E+03 E0= 0.65830977E+03 EK= 0.55676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320379003051E+03 -0.61380E+00 -0.20044E-01 7728 0.244E+01 0.224E-01 RMM: 2 -0.320392547070E+03 -0.13544E-01 -0.12206E-01 4916 0.825E-01 0.656E-01 RMM: 3 -0.320389338255E+03 0.32088E-02 -0.13403E-02 5887 0.215E-01 0.175E-01 RMM: 4 -0.320389200054E+03 0.13820E-03 -0.83061E-04 4726 0.711E-02 0.218E-01 RMM: 5 -0.320388856900E+03 0.34315E-03 -0.27978E-04 4030 0.452E-02 0.797E-02 RMM: 6 -0.320388919775E+03 -0.62874E-04 -0.13582E-04 3880 0.312E-02 0.129E-01 RMM: 7 -0.320388841251E+03 0.78524E-04 -0.70557E-05 3563 0.244E-02 0.851E-02 RMM: 8 -0.320388793467E+03 0.47784E-04 -0.30596E-05 2941 0.169E-02 0.253E-02 RMM: 9 -0.320388798747E+03 -0.52801E-05 -0.15343E-05 2489 0.115E-02 5922 T= 6439. E= 0.68253256E+03 F= 0.62926789E+03 E0= 0.65757737E+03 EK= 0.53265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321082539548E+03 -0.69375E+00 -0.19691E-01 7908 0.239E+01 0.209E-01 RMM: 2 -0.321095180895E+03 -0.12641E-01 -0.10972E-01 4897 0.782E-01 0.699E-01 RMM: 3 -0.321091646904E+03 0.35340E-02 -0.11867E-02 5895 0.208E-01 0.155E-01 RMM: 4 -0.321091527874E+03 0.11903E-03 -0.75785E-04 4703 0.672E-02 0.187E-01 RMM: 5 -0.321091322122E+03 0.20575E-03 -0.19205E-04 3885 0.367E-02 0.105E-01 RMM: 6 -0.321091262661E+03 0.59460E-04 -0.89620E-05 3606 0.272E-02 0.548E-02 RMM: 7 -0.321091276006E+03 -0.13345E-04 -0.42358E-05 3042 0.195E-02 5923 T= 6161. E= 0.67938601E+03 F= 0.62841978E+03 E0= 0.65676201E+03 EK= 0.50966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321859970990E+03 -0.76871E+00 -0.18876E-01 7896 0.234E+01 0.228E-01 RMM: 2 -0.321870510081E+03 -0.10539E-01 -0.94924E-02 5056 0.713E-01 0.621E-01 RMM: 3 -0.321867636017E+03 0.28741E-02 -0.96704E-03 5865 0.187E-01 0.176E-01 RMM: 4 -0.321867630499E+03 0.55178E-05 -0.76808E-04 4664 0.683E-02 0.235E-01 RMM: 5 -0.321867233908E+03 0.39659E-03 -0.26083E-04 3916 0.413E-02 0.793E-02 RMM: 6 -0.321867278414E+03 -0.44506E-04 -0.12425E-04 3871 0.303E-02 0.118E-01 RMM: 7 -0.321867224786E+03 0.53628E-04 -0.66710E-05 3516 0.230E-02 0.896E-02 RMM: 8 -0.321867171030E+03 0.53756E-04 -0.28826E-05 2873 0.167E-02 0.212E-02 RMM: 9 -0.321867174961E+03 -0.39303E-05 -0.11858E-05 2474 0.100E-02 5924 T= 5984. E= 0.67700466E+03 F= 0.62749867E+03 E0= 0.65587163E+03 EK= 0.49506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322691038521E+03 -0.82387E+00 -0.18936E-01 7764 0.232E+01 0.191E-01 RMM: 2 -0.322702340802E+03 -0.11302E-01 -0.10370E-01 4931 0.740E-01 0.580E-01 RMM: 3 -0.322699673285E+03 0.26675E-02 -0.10766E-02 5944 0.193E-01 0.135E-01 RMM: 4 -0.322699634944E+03 0.38341E-04 -0.64474E-04 4664 0.624E-02 0.203E-01 RMM: 5 -0.322699367355E+03 0.26759E-03 -0.18060E-04 3886 0.361E-02 0.869E-02 RMM: 6 -0.322699337589E+03 0.29766E-04 -0.84168E-05 3572 0.260E-02 0.635E-02 RMM: 7 -0.322699339561E+03 -0.19723E-05 -0.38697E-05 2960 0.190E-02 5925 T= 5954. E= 0.67577623E+03 F= 0.62652308E+03 E0= 0.65492567E+03 EK= 0.49253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323545332952E+03 -0.84600E+00 -0.18626E-01 8184 0.232E+01 0.210E-01 RMM: 2 -0.323555753721E+03 -0.10421E-01 -0.94924E-02 5117 0.705E-01 0.586E-01 RMM: 3 -0.323553069300E+03 0.26844E-02 -0.92752E-03 5936 0.179E-01 0.165E-01 RMM: 4 -0.323553002027E+03 0.67273E-04 -0.68807E-04 4665 0.650E-02 0.208E-01 RMM: 5 -0.323552694730E+03 0.30730E-03 -0.22704E-04 3906 0.395E-02 0.804E-02 RMM: 6 -0.323552733789E+03 -0.39059E-04 -0.10909E-04 3835 0.286E-02 0.114E-01 RMM: 7 -0.323552683709E+03 0.50080E-04 -0.61335E-05 3433 0.228E-02 0.860E-02 RMM: 8 -0.323552633073E+03 0.50636E-04 -0.30984E-05 2925 0.174E-02 0.221E-02 RMM: 9 -0.323552638509E+03 -0.54362E-05 -0.12907E-05 2483 0.104E-02 5926 T= 6070. E= 0.67574424E+03 F= 0.62552985E+03 E0= 0.65396243E+03 EK= 0.50214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324362166781E+03 -0.80953E+00 -0.19842E-01 8004 0.235E+01 0.175E-01 RMM: 2 -0.324374541626E+03 -0.12375E-01 -0.11519E-01 5028 0.764E-01 0.558E-01 RMM: 3 -0.324371897269E+03 0.26444E-02 -0.11202E-02 5996 0.190E-01 0.128E-01 RMM: 4 -0.324371778368E+03 0.11890E-03 -0.60523E-04 4632 0.608E-02 0.175E-01 RMM: 5 -0.324371568916E+03 0.20945E-03 -0.16689E-04 3886 0.354E-02 0.711E-02 RMM: 6 -0.324371577022E+03 -0.81061E-05 -0.88620E-05 3634 0.260E-02 5927 T= 6293. E= 0.67663325E+03 F= 0.62457588E+03 E0= 0.65303747E+03 EK= 0.52057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325076143606E+03 -0.70457E+00 -0.20126E-01 8040 0.239E+01 0.282E-01 RMM: 2 -0.325099120008E+03 -0.22976E-01 -0.11739E-01 5138 0.786E-01 0.139E+00 RMM: 3 -0.325085438647E+03 0.13681E-01 -0.12689E-02 5444 0.242E-01 0.241E-01 RMM: 4 -0.325085067180E+03 0.37147E-03 -0.12582E-03 4735 0.767E-02 0.148E-01 RMM: 5 -0.325084983527E+03 0.83653E-04 -0.30881E-04 4063 0.463E-02 0.141E-01 RMM: 6 -0.325084889535E+03 0.93992E-04 -0.15015E-04 3883 0.337E-02 0.880E-02 RMM: 7 -0.325084948210E+03 -0.58675E-04 -0.11221E-04 3853 0.286E-02 0.131E-01 RMM: 8 -0.325084827718E+03 0.12049E-03 -0.63808E-05 3419 0.244E-02 0.288E-02 RMM: 9 -0.325084830957E+03 -0.32388E-05 -0.15709E-05 2524 0.116E-02 5928 T= 6545. E= 0.67788090E+03 F= 0.62373316E+03 E0= 0.65222136E+03 EK= 0.54148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325611193961E+03 -0.52637E+00 -0.20332E-01 8076 0.242E+01 0.239E-01 RMM: 2 -0.325633905875E+03 -0.22712E-01 -0.11269E-01 5081 0.763E-01 0.135E+00 RMM: 3 -0.325620299248E+03 0.13607E-01 -0.11840E-02 5398 0.243E-01 0.211E-01 RMM: 4 -0.325620048889E+03 0.25036E-03 -0.12271E-03 4781 0.757E-02 0.139E-01 RMM: 5 -0.325619946129E+03 0.10276E-03 -0.22801E-04 3912 0.408E-02 0.106E-01 RMM: 6 -0.325619883794E+03 0.62334E-04 -0.76052E-05 3560 0.246E-02 0.601E-02 RMM: 7 -0.325619891206E+03 -0.74114E-05 -0.58754E-05 3345 0.216E-02 5929 T= 6732. E= 0.67876474E+03 F= 0.62307400E+03 E0= 0.65158384E+03 EK= 0.55691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325912369655E+03 -0.29249E+00 -0.20874E-01 8244 0.244E+01 0.228E-01 RMM: 2 -0.325928100351E+03 -0.15731E-01 -0.12416E-01 5100 0.800E-01 0.860E-01 RMM: 3 -0.325922639738E+03 0.54606E-02 -0.12449E-02 5863 0.215E-01 0.193E-01 RMM: 4 -0.325922362397E+03 0.27734E-03 -0.83060E-04 4670 0.676E-02 0.165E-01 RMM: 5 -0.325922169615E+03 0.19278E-03 -0.24127E-04 3951 0.415E-02 0.926E-02 RMM: 6 -0.325922189632E+03 -0.20017E-04 -0.11458E-04 3854 0.290E-02 0.111E-01 RMM: 7 -0.325922163096E+03 0.26536E-04 -0.79119E-05 3681 0.249E-02 0.101E-01 RMM: 8 -0.325922093417E+03 0.69679E-04 -0.40717E-05 3123 0.197E-02 0.236E-02 RMM: 9 -0.325922098279E+03 -0.48626E-05 -0.14594E-05 2498 0.113E-02 5930 T= 6774. E= 0.67869533E+03 F= 0.62265218E+03 E0= 0.65117750E+03 EK= 0.56043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325963534472E+03 -0.41441E-01 -0.22320E-01 8172 0.242E+01 0.195E-01 RMM: 2 -0.325979433690E+03 -0.15899E-01 -0.14268E-01 4919 0.847E-01 0.677E-01 RMM: 3 -0.325975598922E+03 0.38348E-02 -0.14244E-02 6009 0.226E-01 0.142E-01 RMM: 4 -0.325975436744E+03 0.16218E-03 -0.72266E-04 4708 0.655E-02 0.178E-01 RMM: 5 -0.325975217955E+03 0.21879E-03 -0.17148E-04 3902 0.363E-02 0.744E-02 RMM: 6 -0.325975207304E+03 0.10652E-04 -0.72295E-05 3451 0.240E-02 5931 T= 6655. E= 0.67753923E+03 F= 0.62248285E+03 E0= 0.65101543E+03 EK= 0.55056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325800452519E+03 0.17477E+00 -0.22288E-01 8148 0.238E+01 0.339E-01 RMM: 2 -0.325834292831E+03 -0.33840E-01 -0.14720E-01 5003 0.877E-01 0.176E+00 RMM: 3 -0.325811984284E+03 0.22309E-01 -0.17565E-02 5401 0.299E-01 0.277E-01 RMM: 4 -0.325811587922E+03 0.39636E-03 -0.18984E-03 5031 0.928E-02 0.185E-01 RMM: 5 -0.325811481731E+03 0.10619E-03 -0.33014E-04 3920 0.422E-02 0.170E-01 RMM: 6 -0.325811302007E+03 0.17972E-03 -0.14369E-04 3879 0.329E-02 0.732E-02 RMM: 7 -0.325811375566E+03 -0.73560E-04 -0.13498E-04 3882 0.307E-02 0.132E-01 RMM: 8 -0.325811258611E+03 0.11695E-03 -0.72130E-05 3518 0.248E-02 0.352E-02 RMM: 9 -0.325811251844E+03 0.67668E-05 -0.13156E-05 2508 0.108E-02 5932 T= 6427. E= 0.67569912E+03 F= 0.62253311E+03 E0= 0.65106624E+03 EK= 0.53166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325490696966E+03 0.32056E+00 -0.21234E-01 8208 0.233E+01 0.309E-01 RMM: 2 -0.325521067924E+03 -0.30371E-01 -0.14881E-01 4854 0.890E-01 0.159E+00 RMM: 3 -0.325502687298E+03 0.18381E-01 -0.17574E-02 5428 0.295E-01 0.289E-01 RMM: 4 -0.325502127620E+03 0.55968E-03 -0.18562E-03 5145 0.941E-02 0.148E-01 RMM: 5 -0.325502076787E+03 0.50832E-04 -0.26505E-04 3915 0.372E-02 0.147E-01 RMM: 6 -0.325501932430E+03 0.14436E-03 -0.80284E-05 3562 0.254E-02 0.428E-02 RMM: 7 -0.325501966539E+03 -0.34109E-04 -0.62258E-05 3394 0.211E-02 0.909E-02 RMM: 8 -0.325501909132E+03 0.57406E-04 -0.42673E-05 2998 0.196E-02 0.248E-02 RMM: 9 -0.325501907238E+03 0.18941E-05 -0.11777E-05 2473 0.975E-03 5933 T= 6182. E= 0.67387481E+03 F= 0.62273104E+03 E0= 0.65125857E+03 EK= 0.51144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325126144740E+03 0.37576E+00 -0.20675E-01 7980 0.229E+01 0.276E-01 RMM: 2 -0.325150180098E+03 -0.24035E-01 -0.16300E-01 4862 0.930E-01 0.120E+00 RMM: 3 -0.325139688243E+03 0.10492E-01 -0.18108E-02 5708 0.270E-01 0.214E-01 RMM: 4 -0.325139420375E+03 0.26787E-03 -0.13727E-03 4948 0.845E-02 0.206E-01 RMM: 5 -0.325139170448E+03 0.24993E-03 -0.25012E-04 3914 0.386E-02 0.118E-01 RMM: 6 -0.325139088992E+03 0.81456E-04 -0.82421E-05 3559 0.253E-02 0.593E-02 RMM: 7 -0.325139141355E+03 -0.52363E-04 -0.92979E-05 3806 0.251E-02 0.113E-01 RMM: 8 -0.325139056634E+03 0.84722E-04 -0.52513E-05 3276 0.215E-02 0.304E-02 RMM: 9 -0.325139053920E+03 0.27142E-05 -0.14010E-05 2495 0.112E-02 5934 T= 6012. E= 0.67272268E+03 F= 0.62298524E+03 E0= 0.65150212E+03 EK= 0.49737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324805058123E+03 0.33400E+00 -0.19149E-01 8340 0.227E+01 0.251E-01 RMM: 2 -0.324824631777E+03 -0.19574E-01 -0.15174E-01 4989 0.887E-01 0.963E-01 RMM: 3 -0.324817782573E+03 0.68492E-02 -0.16428E-02 5952 0.240E-01 0.180E-01 RMM: 4 -0.324817510282E+03 0.27229E-03 -0.11254E-03 4837 0.790E-02 0.195E-01 RMM: 5 -0.324817261982E+03 0.24830E-03 -0.22843E-04 3898 0.381E-02 0.873E-02 RMM: 6 -0.324817226626E+03 0.35356E-04 -0.65749E-05 3401 0.230E-02 0.620E-02 RMM: 7 -0.324817257090E+03 -0.30464E-04 -0.79105E-05 3757 0.241E-02 0.991E-02 RMM: 8 -0.324817191070E+03 0.66020E-04 -0.34297E-05 2972 0.176E-02 0.216E-02 RMM: 9 -0.324817193334E+03 -0.22637E-05 -0.12466E-05 2484 0.103E-02 5935 T= 5976. E= 0.67264365E+03 F= 0.62320227E+03 E0= 0.65170456E+03 EK= 0.49441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324603099441E+03 0.21409E+00 -0.20319E-01 7872 0.227E+01 0.223E-01 RMM: 2 -0.324623321181E+03 -0.20222E-01 -0.17307E-01 4862 0.944E-01 0.812E-01 RMM: 3 -0.324618157321E+03 0.51639E-02 -0.18620E-02 6027 0.248E-01 0.172E-01 RMM: 4 -0.324617840735E+03 0.31659E-03 -0.10129E-03 4823 0.772E-02 0.192E-01 RMM: 5 -0.324617597626E+03 0.24311E-03 -0.19702E-04 3914 0.361E-02 0.877E-02 RMM: 6 -0.324617564148E+03 0.33478E-04 -0.57290E-05 3296 0.217E-02 0.618E-02 RMM: 7 -0.324617596826E+03 -0.32678E-04 -0.77175E-05 3671 0.233E-02 0.100E-01 RMM: 8 -0.324617530088E+03 0.66738E-04 -0.39956E-05 3077 0.192E-02 0.228E-02 RMM: 9 -0.324617531219E+03 -0.11315E-05 -0.12201E-05 2478 0.103E-02 5936 T= 6094. E= 0.67371820E+03 F= 0.62330211E+03 E0= 0.65178565E+03 EK= 0.50416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324581960760E+03 0.35569E-01 -0.18746E-01 8388 0.229E+01 0.232E-01 RMM: 2 -0.324599067529E+03 -0.17107E-01 -0.13044E-01 5093 0.815E-01 0.928E-01 RMM: 3 -0.324592749001E+03 0.63185E-02 -0.13027E-02 5949 0.218E-01 0.167E-01 RMM: 4 -0.324592514983E+03 0.23402E-03 -0.86189E-04 4682 0.693E-02 0.172E-01 RMM: 5 -0.324592340935E+03 0.17405E-03 -0.17604E-04 3884 0.347E-02 0.947E-02 RMM: 6 -0.324592297633E+03 0.43302E-04 -0.63345E-05 3376 0.230E-02 0.612E-02 RMM: 7 -0.324592338787E+03 -0.41154E-04 -0.72088E-05 3619 0.228E-02 0.105E-01 RMM: 8 -0.324592263266E+03 0.75521E-04 -0.40018E-05 3047 0.193E-02 0.225E-02 RMM: 9 -0.324592264077E+03 -0.81067E-06 -0.12165E-05 2477 0.102E-02 5937 T= 6340. E= 0.67568569E+03 F= 0.62323351E+03 E0= 0.65169366E+03 EK= 0.52452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324743731308E+03 -0.15147E+00 -0.19476E-01 8652 0.233E+01 0.206E-01 RMM: 2 -0.324759222043E+03 -0.15491E-01 -0.12733E-01 5193 0.797E-01 0.794E-01 RMM: 3 -0.324754483170E+03 0.47389E-02 -0.11817E-02 6083 0.202E-01 0.153E-01 RMM: 4 -0.324754257494E+03 0.22568E-03 -0.71006E-04 4650 0.643E-02 0.160E-01 RMM: 5 -0.324754089680E+03 0.16781E-03 -0.15462E-04 3886 0.336E-02 0.798E-02 RMM: 6 -0.324754070470E+03 0.19209E-04 -0.55376E-05 3291 0.215E-02 5938 T= 6641. E= 0.67792696E+03 F= 0.62298407E+03 E0= 0.65141422E+03 EK= 0.54943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325055290139E+03 -0.30120E+00 -0.20818E-01 8856 0.237E+01 0.358E-01 RMM: 2 -0.325092332141E+03 -0.37042E-01 -0.14655E-01 5207 0.876E-01 0.193E+00 RMM: 3 -0.325066406714E+03 0.25925E-01 -0.17367E-02 5405 0.308E-01 0.297E-01 RMM: 4 -0.325065825017E+03 0.58170E-03 -0.18738E-03 4930 0.853E-02 0.129E-01 RMM: 5 -0.325065779339E+03 0.45678E-04 -0.25981E-04 3934 0.417E-02 0.137E-01 RMM: 6 -0.325065672426E+03 0.10691E-03 -0.11807E-04 3852 0.301E-02 0.755E-02 RMM: 7 -0.325065750124E+03 -0.77698E-04 -0.12272E-04 3883 0.300E-02 0.134E-01 RMM: 8 -0.325065635389E+03 0.11474E-03 -0.69405E-05 3488 0.239E-02 0.478E-02 RMM: 9 -0.325065623024E+03 0.12365E-04 -0.19575E-05 2570 0.135E-02 5939 T= 6886. E= 0.67955650E+03 F= 0.62259071E+03 E0= 0.65098525E+03 EK= 0.56966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325433757890E+03 -0.36812E+00 -0.21833E-01 8928 0.240E+01 0.310E-01 RMM: 2 -0.325466409048E+03 -0.32651E-01 -0.14146E-01 5171 0.849E-01 0.171E+00 RMM: 3 -0.325445282857E+03 0.21126E-01 -0.15361E-02 5406 0.286E-01 0.293E-01 RMM: 4 -0.325444731723E+03 0.55113E-03 -0.19204E-03 4917 0.939E-02 0.155E-01 RMM: 5 -0.325444640830E+03 0.90894E-04 -0.28451E-04 3927 0.434E-02 0.124E-01 RMM: 6 -0.325444538613E+03 0.10222E-03 -0.82331E-05 3659 0.258E-02 0.494E-02 RMM: 7 -0.325444564108E+03 -0.25495E-04 -0.49324E-05 3194 0.193E-02 0.875E-02 RMM: 8 -0.325444512103E+03 0.52005E-04 -0.47778E-05 3172 0.216E-02 0.280E-02 RMM: 9 -0.325444511300E+03 0.80351E-06 -0.13129E-05 2484 0.105E-02 5940 T= 6965. E= 0.67975691E+03 F= 0.62213494E+03 E0= 0.65048643E+03 EK= 0.57622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325782150502E+03 -0.33764E+00 -0.21736E-01 8868 0.239E+01 0.253E-01 RMM: 2 -0.325804786512E+03 -0.22636E-01 -0.14197E-01 5244 0.844E-01 0.121E+00 RMM: 3 -0.325793713460E+03 0.11073E-01 -0.12826E-02 5639 0.245E-01 0.221E-01 RMM: 4 -0.325793361373E+03 0.35209E-03 -0.11043E-03 4746 0.722E-02 0.126E-01 RMM: 5 -0.325793285149E+03 0.76225E-04 -0.17820E-04 3896 0.346E-02 0.106E-01 RMM: 6 -0.325793227734E+03 0.57415E-04 -0.69741E-05 3470 0.240E-02 0.658E-02 RMM: 7 -0.325793271746E+03 -0.44013E-04 -0.92617E-05 3758 0.258E-02 0.110E-01 RMM: 8 -0.325793190555E+03 0.81192E-04 -0.55946E-05 3315 0.218E-02 0.362E-02 RMM: 9 -0.325793186776E+03 0.37785E-05 -0.16553E-05 2522 0.120E-02 5941 T= 6835. E= 0.67825499E+03 F= 0.62171323E+03 E0= 0.65001652E+03 EK= 0.56542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326025434774E+03 -0.23224E+00 -0.20461E-01 8880 0.235E+01 0.207E-01 RMM: 2 -0.326043625658E+03 -0.18191E-01 -0.13885E-01 5174 0.835E-01 0.918E-01 RMM: 3 -0.326036994542E+03 0.66311E-02 -0.12637E-02 5813 0.234E-01 0.171E-01 RMM: 4 -0.326036780347E+03 0.21420E-03 -0.80040E-04 4741 0.640E-02 0.143E-01 RMM: 5 -0.326036646643E+03 0.13370E-03 -0.14988E-04 3892 0.338E-02 0.795E-02 RMM: 6 -0.326036624681E+03 0.21962E-04 -0.60942E-05 3334 0.223E-02 0.668E-02 RMM: 7 -0.326036648129E+03 -0.23448E-04 -0.71065E-05 3662 0.234E-02 0.955E-02 RMM: 8 -0.326036584808E+03 0.63320E-04 -0.35511E-05 2928 0.178E-02 0.286E-02 RMM: 9 -0.326036584541E+03 0.26747E-06 -0.15655E-05 2487 0.115E-02 5942 T= 6544. E= 0.67553544E+03 F= 0.62139978E+03 E0= 0.64965188E+03 EK= 0.54136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326128171772E+03 -0.91587E-01 -0.19557E-01 8532 0.230E+01 0.188E-01 RMM: 2 -0.326145988529E+03 -0.17817E-01 -0.15326E-01 5141 0.886E-01 0.734E-01 RMM: 3 -0.326141398575E+03 0.45900E-02 -0.14418E-02 5910 0.236E-01 0.149E-01 RMM: 4 -0.326141159586E+03 0.23899E-03 -0.76611E-04 4715 0.657E-02 0.142E-01 RMM: 5 -0.326141028466E+03 0.13112E-03 -0.14160E-04 3890 0.332E-02 0.774E-02 RMM: 6 -0.326141012392E+03 0.16074E-04 -0.50551E-05 3158 0.207E-02 5943 T= 6205. E= 0.67256049E+03 F= 0.62122799E+03 E0= 0.64942930E+03 EK= 0.51333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326099529926E+03 0.41499E-01 -0.17780E-01 8520 0.225E+01 0.348E-01 RMM: 2 -0.326131576724E+03 -0.32047E-01 -0.13235E-01 5093 0.842E-01 0.177E+00 RMM: 3 -0.326109666669E+03 0.21910E-01 -0.17340E-02 5401 0.310E-01 0.302E-01 RMM: 4 -0.326109078461E+03 0.58821E-03 -0.17672E-03 4996 0.844E-02 0.131E-01 RMM: 5 -0.326109042867E+03 0.35594E-04 -0.25117E-04 3936 0.389E-02 0.142E-01 RMM: 6 -0.326108925221E+03 0.11765E-03 -0.11426E-04 3848 0.293E-02 0.760E-02 RMM: 7 -0.326108982192E+03 -0.56971E-04 -0.10766E-04 3854 0.277E-02 0.121E-01 RMM: 8 -0.326108896590E+03 0.85602E-04 -0.82759E-05 3702 0.239E-02 0.566E-02 RMM: 9 -0.326108875295E+03 0.21294E-04 -0.19060E-05 2567 0.136E-02 0.141E-02 RMM: 10 -0.326108879096E+03 -0.38005E-05 -0.67185E-06 2449 0.850E-03 5944 T= 5933. E= 0.67027581E+03 F= 0.62119576E+03 E0= 0.64934827E+03 EK= 0.49080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325945372388E+03 0.16350E+00 -0.17543E-01 8112 0.222E+01 0.299E-01 RMM: 2 -0.325975183824E+03 -0.29811E-01 -0.15715E-01 4877 0.895E-01 0.153E+00 RMM: 3 -0.325958395525E+03 0.16788E-01 -0.18023E-02 5473 0.301E-01 0.320E-01 RMM: 4 -0.325957649936E+03 0.74559E-03 -0.18795E-03 5120 0.934E-02 0.129E-01 RMM: 5 -0.325957641393E+03 0.85429E-05 -0.26574E-04 3907 0.386E-02 0.136E-01 RMM: 6 -0.325957513394E+03 0.12800E-03 -0.80179E-05 3561 0.254E-02 0.434E-02 RMM: 7 -0.325957522674E+03 -0.92798E-05 -0.29703E-05 2714 0.155E-02 5945 T= 5805. E= 0.66930659E+03 F= 0.62128657E+03 E0= 0.64939413E+03 EK= 0.48020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325689132703E+03 0.26838E+00 -0.16069E-01 8232 0.222E+01 0.244E-01 RMM: 2 -0.325706858671E+03 -0.17726E-01 -0.11551E-01 5029 0.786E-01 0.106E+00 RMM: 3 -0.325698613678E+03 0.82450E-02 -0.12964E-02 5690 0.238E-01 0.198E-01 RMM: 4 -0.325698319126E+03 0.29455E-03 -0.95535E-04 4721 0.669E-02 0.134E-01 RMM: 5 -0.325698248197E+03 0.70929E-04 -0.16475E-04 3902 0.333E-02 0.111E-01 RMM: 6 -0.325698175548E+03 0.72650E-04 -0.77845E-05 3536 0.249E-02 0.583E-02 RMM: 7 -0.325698242966E+03 -0.67418E-04 -0.78578E-05 3692 0.235E-02 0.119E-01 RMM: 8 -0.325698151999E+03 0.90967E-04 -0.49601E-05 3201 0.212E-02 0.385E-02 RMM: 9 -0.325698143225E+03 0.87737E-05 -0.13774E-05 2488 0.113E-02 5946 T= 5853. E= 0.66990890E+03 F= 0.62149024E+03 E0= 0.64955692E+03 EK= 0.48419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325314650713E+03 0.38350E+00 -0.16135E-01 7896 0.226E+01 0.193E-01 RMM: 2 -0.325329085377E+03 -0.14435E-01 -0.11946E-01 4935 0.802E-01 0.756E-01 RMM: 3 -0.325324846913E+03 0.42385E-02 -0.13323E-02 6005 0.215E-01 0.155E-01 RMM: 4 -0.325324577170E+03 0.26974E-03 -0.72840E-04 4700 0.645E-02 0.152E-01 RMM: 5 -0.325324416651E+03 0.16052E-03 -0.14313E-04 3884 0.325E-02 0.704E-02 RMM: 6 -0.325324392307E+03 0.24343E-04 -0.44889E-05 3090 0.199E-02 0.494E-02 RMM: 7 -0.325324405177E+03 -0.12869E-04 -0.47321E-05 2983 0.188E-02 5947 T= 6066. E= 0.67199523E+03 F= 0.62181393E+03 E0= 0.64984372E+03 EK= 0.50181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324799414070E+03 0.52498E+00 -0.16645E-01 8028 0.231E+01 0.210E-01 RMM: 2 -0.324816022015E+03 -0.16608E-01 -0.12986E-01 4887 0.848E-01 0.865E-01 RMM: 3 -0.324810702147E+03 0.53199E-02 -0.15380E-02 5927 0.230E-01 0.177E-01 RMM: 4 -0.324810309238E+03 0.39291E-03 -0.83408E-04 4795 0.663E-02 0.117E-01 RMM: 5 -0.324810237057E+03 0.72181E-04 -0.13751E-04 3903 0.307E-02 0.876E-02 RMM: 6 -0.324810204150E+03 0.32907E-04 -0.52069E-05 3226 0.208E-02 0.611E-02 RMM: 7 -0.324810234352E+03 -0.30202E-04 -0.64494E-05 3504 0.216E-02 0.982E-02 RMM: 8 -0.324810169769E+03 0.64583E-04 -0.37652E-05 2995 0.192E-02 0.255E-02 RMM: 9 -0.324810171161E+03 -0.13921E-05 -0.14430E-05 2483 0.112E-02 5948 T= 6387. E= 0.67511778E+03 F= 0.62228416E+03 E0= 0.65028046E+03 EK= 0.52834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324111681951E+03 0.69849E+00 -0.17305E-01 7944 0.238E+01 0.216E-01 RMM: 2 -0.324128296273E+03 -0.16614E-01 -0.12582E-01 4940 0.839E-01 0.914E-01 RMM: 3 -0.324122367581E+03 0.59287E-02 -0.14659E-02 5937 0.222E-01 0.177E-01 RMM: 4 -0.324121991041E+03 0.37654E-03 -0.86242E-04 4730 0.695E-02 0.137E-01 RMM: 5 -0.324121872614E+03 0.11843E-03 -0.15709E-04 3870 0.328E-02 0.807E-02 RMM: 6 -0.324121837973E+03 0.34641E-04 -0.48661E-05 3181 0.205E-02 0.457E-02 RMM: 7 -0.324121851358E+03 -0.13385E-04 -0.32101E-05 2627 0.162E-02 5949 T= 6712. E= 0.67845849E+03 F= 0.62293443E+03 E0= 0.65090107E+03 EK= 0.55524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323226258267E+03 0.89558E+00 -0.17422E-01 8004 0.243E+01 0.193E-01 RMM: 2 -0.323239270240E+03 -0.13012E-01 -0.10953E-01 5050 0.780E-01 0.717E-01 RMM: 3 -0.323235719720E+03 0.35505E-02 -0.12431E-02 5998 0.199E-01 0.163E-01 RMM: 4 -0.323235413085E+03 0.30663E-03 -0.64866E-04 4675 0.606E-02 0.130E-01 RMM: 5 -0.323235294746E+03 0.11834E-03 -0.13074E-04 3876 0.310E-02 0.714E-02 RMM: 6 -0.323235298634E+03 -0.38875E-05 -0.55090E-05 3300 0.211E-02 5950 T= 6917. E= 0.68101096E+03 F= 0.62378841E+03 E0= 0.65172913E+03 EK= 0.57223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322152054768E+03 0.10832E+01 -0.18748E-01 7800 0.245E+01 0.276E-01 RMM: 2 -0.322174058357E+03 -0.22004E-01 -0.12967E-01 4961 0.856E-01 0.127E+00 RMM: 3 -0.322162625054E+03 0.11433E-01 -0.16088E-02 5513 0.270E-01 0.203E-01 RMM: 4 -0.322162354244E+03 0.27081E-03 -0.13002E-03 4897 0.718E-02 0.147E-01 RMM: 5 -0.322162227412E+03 0.12683E-03 -0.18558E-04 3886 0.359E-02 0.918E-02 RMM: 6 -0.322162180792E+03 0.46620E-04 -0.60826E-05 3361 0.221E-02 0.527E-02 RMM: 7 -0.322162204597E+03 -0.23805E-04 -0.57514E-05 3373 0.218E-02 0.874E-02 RMM: 8 -0.322162151557E+03 0.53040E-04 -0.34550E-05 2852 0.178E-02 0.278E-02 RMM: 9 -0.322162152792E+03 -0.12349E-05 -0.16733E-05 2489 0.121E-02 5951 T= 6915. E= 0.68203599E+03 F= 0.62483392E+03 E0= 0.65275424E+03 EK= 0.57202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320960218271E+03 0.12019E+01 -0.18180E-01 8004 0.244E+01 0.306E-01 RMM: 2 -0.320985343445E+03 -0.25125E-01 -0.11762E-01 4998 0.834E-01 0.151E+00 RMM: 3 -0.320969653289E+03 0.15690E-01 -0.15205E-02 5471 0.272E-01 0.270E-01 RMM: 4 -0.320969127469E+03 0.52582E-03 -0.16041E-03 4781 0.860E-02 0.137E-01 RMM: 5 -0.320969059859E+03 0.67610E-04 -0.22870E-04 3895 0.376E-02 0.112E-01 RMM: 6 -0.320968979092E+03 0.80767E-04 -0.60345E-05 3361 0.226E-02 0.388E-02 RMM: 7 -0.320968993324E+03 -0.14232E-04 -0.32443E-05 2761 0.165E-02 5952 T= 6709. E= 0.68150815E+03 F= 0.62600396E+03 E0= 0.65390766E+03 EK= 0.55504E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319760475736E+03 0.12085E+01 -0.17314E-01 7920 0.239E+01 0.214E-01 RMM: 2 -0.319774814731E+03 -0.14339E-01 -0.95356E-02 5153 0.713E-01 0.940E-01 RMM: 3 -0.319768314774E+03 0.65000E-02 -0.10091E-02 5691 0.201E-01 0.180E-01 RMM: 4 -0.319768100623E+03 0.21415E-03 -0.77309E-04 4649 0.617E-02 0.136E-01 RMM: 5 -0.319767996644E+03 0.10398E-03 -0.14078E-04 3874 0.296E-02 0.911E-02 RMM: 6 -0.319767956278E+03 0.40366E-04 -0.53674E-05 3268 0.212E-02 0.605E-02 RMM: 7 -0.319767996621E+03 -0.40342E-04 -0.81145E-05 3717 0.240E-02 0.103E-01 RMM: 8 -0.319767926792E+03 0.69829E-04 -0.46576E-05 3172 0.203E-02 0.295E-02 RMM: 9 -0.319767923930E+03 0.28626E-05 -0.12697E-05 2482 0.108E-02 5953 T= 6398. E= 0.68011267E+03 F= 0.62718627E+03 E0= 0.65507824E+03 EK= 0.52926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318681163301E+03 0.10868E+01 -0.17346E-01 7944 0.234E+01 0.209E-01 RMM: 2 -0.318696239456E+03 -0.15076E-01 -0.11837E-01 4830 0.820E-01 0.844E-01 RMM: 3 -0.318691233466E+03 0.50060E-02 -0.14076E-02 5941 0.219E-01 0.134E-01 RMM: 4 -0.318691032038E+03 0.20143E-03 -0.79542E-04 4705 0.675E-02 0.171E-01 RMM: 5 -0.318690845948E+03 0.18609E-03 -0.16293E-04 3878 0.343E-02 0.732E-02 RMM: 6 -0.318690816792E+03 0.29155E-04 -0.40469E-05 3037 0.189E-02 0.416E-02 RMM: 7 -0.318690828501E+03 -0.11709E-04 -0.30350E-05 2597 0.165E-02 5954 T= 6110. E= 0.67879395E+03 F= 0.62824905E+03 E0= 0.65613265E+03 EK= 0.50545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317850600050E+03 0.84022E+00 -0.16669E-01 7920 0.230E+01 0.193E-01 RMM: 2 -0.317864541111E+03 -0.13941E-01 -0.10756E-01 4955 0.760E-01 0.791E-01 RMM: 3 -0.317859851868E+03 0.46892E-02 -0.12397E-02 5836 0.212E-01 0.172E-01 RMM: 4 -0.317859559801E+03 0.29207E-03 -0.72066E-04 4688 0.609E-02 0.118E-01 RMM: 5 -0.317859475968E+03 0.83833E-04 -0.12371E-04 3841 0.285E-02 0.785E-02 RMM: 6 -0.317859450898E+03 0.25070E-04 -0.39659E-05 3021 0.184E-02 0.580E-02 RMM: 7 -0.317859474772E+03 -0.23874E-04 -0.74302E-05 3633 0.229E-02 0.876E-02 RMM: 8 -0.317859423883E+03 0.50889E-04 -0.38623E-05 3043 0.190E-02 0.208E-02 RMM: 9 -0.317859425642E+03 -0.17586E-05 -0.10460E-05 2467 0.966E-03 5955 T= 5951. E= 0.67830171E+03 F= 0.62907083E+03 E0= 0.65694959E+03 EK= 0.49231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317352222733E+03 0.50720E+00 -0.16541E-01 7812 0.229E+01 0.183E-01 RMM: 2 -0.317365315842E+03 -0.13093E-01 -0.11287E-01 4848 0.781E-01 0.675E-01 RMM: 3 -0.317361984747E+03 0.33311E-02 -0.12885E-02 6007 0.210E-01 0.144E-01 RMM: 4 -0.317361714334E+03 0.27041E-03 -0.65891E-04 4690 0.607E-02 0.136E-01 RMM: 5 -0.317361602860E+03 0.11147E-03 -0.12736E-04 3802 0.309E-02 0.762E-02 RMM: 6 -0.317361568143E+03 0.34718E-04 -0.38998E-05 3019 0.187E-02 0.357E-02 RMM: 7 -0.317361583299E+03 -0.15157E-04 -0.30224E-05 2603 0.156E-02 5956 T= 5976. E= 0.67900376E+03 F= 0.62956391E+03 E0= 0.65744121E+03 EK= 0.49440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317230607386E+03 0.13096E+00 -0.15856E-01 8220 0.232E+01 0.179E-01 RMM: 2 -0.317242290970E+03 -0.11684E-01 -0.99739E-02 5069 0.729E-01 0.654E-01 RMM: 3 -0.317239123676E+03 0.31673E-02 -0.10533E-02 5929 0.193E-01 0.151E-01 RMM: 4 -0.317238895965E+03 0.22771E-03 -0.55717E-04 4633 0.537E-02 0.118E-01 RMM: 5 -0.317238791839E+03 0.10413E-03 -0.97489E-05 3712 0.256E-02 0.614E-02 RMM: 6 -0.317238786205E+03 0.56346E-05 -0.36553E-05 2956 0.179E-02 5957 T= 6186. E= 0.68086180E+03 F= 0.62968682E+03 E0= 0.65756725E+03 EK= 0.51175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317475270237E+03 -0.23648E+00 -0.16386E-01 8304 0.237E+01 0.274E-01 RMM: 2 -0.317495771383E+03 -0.20501E-01 -0.10807E-01 5143 0.772E-01 0.132E+00 RMM: 3 -0.317483807574E+03 0.11964E-01 -0.12513E-02 5497 0.247E-01 0.205E-01 RMM: 4 -0.317483518917E+03 0.28866E-03 -0.11774E-03 4710 0.705E-02 0.129E-01 RMM: 5 -0.317483426249E+03 0.92668E-04 -0.16606E-04 3888 0.322E-02 0.908E-02 RMM: 6 -0.317483377434E+03 0.48815E-04 -0.44536E-05 3080 0.199E-02 0.471E-02 RMM: 7 -0.317483395895E+03 -0.18461E-04 -0.45826E-05 3114 0.196E-02 5958 T= 6522. E= 0.68340221E+03 F= 0.62944697E+03 E0= 0.65733608E+03 EK= 0.53955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318031239700E+03 -0.54786E+00 -0.17488E-01 8076 0.244E+01 0.304E-01 RMM: 2 -0.318054487582E+03 -0.23248E-01 -0.12286E-01 5155 0.851E-01 0.138E+00 RMM: 3 -0.318041289793E+03 0.13198E-01 -0.14664E-02 5482 0.270E-01 0.320E-01 RMM: 4 -0.318040529747E+03 0.76005E-03 -0.15851E-03 4792 0.865E-02 0.116E-01 RMM: 5 -0.318040487006E+03 0.42741E-04 -0.23417E-04 3889 0.391E-02 0.112E-01 RMM: 6 -0.318040399291E+03 0.87714E-04 -0.55653E-05 3303 0.215E-02 0.420E-02 RMM: 7 -0.318040404914E+03 -0.56232E-05 -0.35666E-05 2828 0.175E-02 5959 T= 6868. E= 0.68571410E+03 F= 0.62889913E+03 E0= 0.65680305E+03 EK= 0.56815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318809018842E+03 -0.76862E+00 -0.18896E-01 8280 0.249E+01 0.255E-01 RMM: 2 -0.318828543590E+03 -0.19525E-01 -0.12866E-01 5173 0.858E-01 0.114E+00 RMM: 3 -0.318819619513E+03 0.89241E-02 -0.13500E-02 5693 0.241E-01 0.188E-01 RMM: 4 -0.318819356310E+03 0.26320E-03 -0.10176E-03 4733 0.697E-02 0.150E-01 RMM: 5 -0.318819201720E+03 0.15459E-03 -0.17735E-04 3883 0.344E-02 0.871E-02 RMM: 6 -0.318819159500E+03 0.42221E-04 -0.56377E-05 3291 0.216E-02 0.524E-02 RMM: 7 -0.318819169659E+03 -0.10159E-04 -0.53891E-05 3269 0.204E-02 5960 T= 7077. E= 0.68667983E+03 F= 0.62813376E+03 E0= 0.65606177E+03 EK= 0.58546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319708472126E+03 -0.88931E+00 -0.19629E-01 8208 0.251E+01 0.242E-01 RMM: 2 -0.319726039525E+03 -0.17567E-01 -0.13598E-01 5005 0.896E-01 0.945E-01 RMM: 3 -0.319720038142E+03 0.60014E-02 -0.15207E-02 5827 0.246E-01 0.202E-01 RMM: 4 -0.319719704106E+03 0.33404E-03 -0.10018E-03 4786 0.726E-02 0.162E-01 RMM: 5 -0.319719522062E+03 0.18204E-03 -0.18887E-04 3888 0.358E-02 0.808E-02 RMM: 6 -0.319719487518E+03 0.34544E-04 -0.49591E-05 3171 0.207E-02 0.470E-02 RMM: 7 -0.319719492639E+03 -0.51216E-05 -0.34424E-05 2674 0.174E-02 5961 T= 7047. E= 0.68555012E+03 F= 0.62725117E+03 E0= 0.65521134E+03 EK= 0.58299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320654427864E+03 -0.93494E+00 -0.20904E-01 7932 0.248E+01 0.198E-01 RMM: 2 -0.320671432926E+03 -0.17005E-01 -0.14867E-01 4856 0.928E-01 0.728E-01 RMM: 3 -0.320667385126E+03 0.40478E-02 -0.16689E-02 6053 0.246E-01 0.144E-01 RMM: 4 -0.320667102043E+03 0.28308E-03 -0.75450E-04 4748 0.673E-02 0.153E-01 RMM: 5 -0.320666935100E+03 0.16694E-03 -0.14461E-04 3890 0.336E-02 0.691E-02 RMM: 6 -0.320666916088E+03 0.19012E-04 -0.43917E-05 3055 0.193E-02 5962 T= 6787. E= 0.68247242E+03 F= 0.62632616E+03 E0= 0.65432677E+03 EK= 0.56146E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321614139245E+03 -0.94720E+00 -0.19212E-01 7764 0.242E+01 0.251E-01 RMM: 2 -0.321635158133E+03 -0.21019E-01 -0.12297E-01 4939 0.840E-01 0.123E+00 RMM: 3 -0.321624320929E+03 0.10837E-01 -0.14274E-02 5513 0.261E-01 0.227E-01 RMM: 4 -0.321623958023E+03 0.36291E-03 -0.11334E-03 4842 0.717E-02 0.110E-01 RMM: 5 -0.321623898169E+03 0.59854E-04 -0.16112E-04 3922 0.320E-02 0.954E-02 RMM: 6 -0.321623846389E+03 0.51780E-04 -0.50804E-05 3168 0.207E-02 0.518E-02 RMM: 7 -0.321623872385E+03 -0.25996E-04 -0.49766E-05 3206 0.205E-02 0.849E-02 RMM: 8 -0.321623824247E+03 0.48139E-04 -0.44883E-05 2974 0.183E-02 0.338E-02 RMM: 9 -0.321623819523E+03 0.47237E-05 -0.15735E-05 2486 0.121E-02 5963 T= 6409. E= 0.67841554E+03 F= 0.62539687E+03 E0= 0.65344465E+03 EK= 0.53019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322575484747E+03 -0.95166E+00 -0.18181E-01 7836 0.235E+01 0.271E-01 RMM: 2 -0.322601000316E+03 -0.25516E-01 -0.11115E-01 4856 0.809E-01 0.152E+00 RMM: 3 -0.322584357453E+03 0.16643E-01 -0.13788E-02 5465 0.265E-01 0.192E-01 RMM: 4 -0.322584172226E+03 0.18523E-03 -0.12818E-03 4785 0.775E-02 0.149E-01 RMM: 5 -0.322584083448E+03 0.88778E-04 -0.18241E-04 3892 0.335E-02 0.115E-01 RMM: 6 -0.322583994025E+03 0.89423E-04 -0.54667E-05 3241 0.218E-02 0.339E-02 RMM: 7 -0.322584007435E+03 -0.13410E-04 -0.32045E-05 2733 0.173E-02 5964 T= 6056. E= 0.67456907E+03 F= 0.62446999E+03 E0= 0.65256991E+03 EK= 0.50099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323547077442E+03 -0.96308E+00 -0.16652E-01 8064 0.230E+01 0.181E-01 RMM: 2 -0.323559247160E+03 -0.12170E-01 -0.88770E-02 4985 0.708E-01 0.802E-01 RMM: 3 -0.323554583854E+03 0.46633E-02 -0.95874E-03 5609 0.202E-01 0.183E-01 RMM: 4 -0.323554335896E+03 0.24796E-03 -0.63440E-04 4675 0.570E-02 0.100E-01 RMM: 5 -0.323554269941E+03 0.65955E-04 -0.10137E-04 3759 0.270E-02 0.727E-02 RMM: 6 -0.323554251265E+03 0.18676E-04 -0.39760E-05 3021 0.187E-02 5965 T= 5836. E= 0.67182111E+03 F= 0.62353891E+03 E0= 0.65169443E+03 EK= 0.48282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324526700804E+03 -0.97243E+00 -0.16161E-01 7968 0.228E+01 0.347E-01 RMM: 2 -0.324557402056E+03 -0.30701E-01 -0.93803E-02 4900 0.762E-01 0.187E+00 RMM: 3 -0.324533618306E+03 0.23784E-01 -0.15578E-02 5368 0.303E-01 0.303E-01 RMM: 4 -0.324532970209E+03 0.64810E-03 -0.16282E-03 4805 0.818E-02 0.106E-01 RMM: 5 -0.324532965940E+03 0.42690E-05 -0.21569E-04 3926 0.366E-02 0.121E-01 RMM: 6 -0.324532871150E+03 0.94790E-04 -0.70844E-05 3438 0.244E-02 0.518E-02 RMM: 7 -0.324532884393E+03 -0.13242E-04 -0.38661E-05 2967 0.185E-02 5966 T= 5802. E= 0.67060645E+03 F= 0.62260506E+03 E0= 0.65081732E+03 EK= 0.48001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325489972301E+03 -0.95710E+00 -0.16104E-01 7908 0.229E+01 0.299E-01 RMM: 2 -0.325513577500E+03 -0.23605E-01 -0.83734E-02 4865 0.712E-01 0.158E+00 RMM: 3 -0.325496585480E+03 0.16992E-01 -0.13225E-02 5363 0.277E-01 0.324E-01 RMM: 4 -0.325495884645E+03 0.70083E-03 -0.14775E-03 4823 0.811E-02 0.106E-01 RMM: 5 -0.325495912649E+03 -0.28004E-04 -0.22343E-04 3907 0.385E-02 0.129E-01 RMM: 6 -0.325495795321E+03 0.11733E-03 -0.64554E-05 3385 0.236E-02 0.372E-02 RMM: 7 -0.325495797989E+03 -0.26682E-05 -0.20702E-05 2553 0.139E-02 5967 T= 5956. E= 0.67096059E+03 F= 0.62169188E+03 E0= 0.64996213E+03 EK= 0.49269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326378658503E+03 -0.88286E+00 -0.16614E-01 7824 0.234E+01 0.272E-01 RMM: 2 -0.326397223653E+03 -0.18565E-01 -0.89030E-02 4873 0.734E-01 0.130E+00 RMM: 3 -0.326385606770E+03 0.11617E-01 -0.12214E-02 5388 0.254E-01 0.233E-01 RMM: 4 -0.326385282516E+03 0.32425E-03 -0.11250E-03 4747 0.690E-02 0.115E-01 RMM: 5 -0.326385261925E+03 0.20590E-04 -0.18327E-04 3884 0.355E-02 0.123E-01 RMM: 6 -0.326385159022E+03 0.10290E-03 -0.74291E-05 3486 0.248E-02 0.387E-02 RMM: 7 -0.326385180269E+03 -0.21247E-04 -0.35102E-05 2879 0.176E-02 0.754E-02 RMM: 8 -0.326385144254E+03 0.36015E-04 -0.34062E-05 2592 0.175E-02 0.322E-02 RMM: 9 -0.326385139497E+03 0.47573E-05 -0.13633E-05 2470 0.114E-02 5968 T= 6249. E= 0.67255551E+03 F= 0.62085639E+03 E0= 0.64918485E+03 EK= 0.51699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327105919782E+03 -0.72078E+00 -0.18306E-01 7824 0.240E+01 0.204E-01 RMM: 2 -0.327119895342E+03 -0.13976E-01 -0.98396E-02 4779 0.770E-01 0.906E-01 RMM: 3 -0.327114172442E+03 0.57229E-02 -0.11573E-02 5654 0.215E-01 0.138E-01 RMM: 4 -0.327114116423E+03 0.56019E-04 -0.82944E-04 4660 0.675E-02 0.184E-01 RMM: 5 -0.327113912058E+03 0.20437E-03 -0.17032E-04 3877 0.363E-02 0.805E-02 RMM: 6 -0.327113869680E+03 0.42378E-04 -0.39122E-05 2978 0.187E-02 0.330E-02 RMM: 7 -0.327113875392E+03 -0.57120E-05 -0.28337E-05 2554 0.164E-02 5969 T= 6588. E= 0.67468701E+03 F= 0.62018494E+03 E0= 0.64857091E+03 EK= 0.54502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327575988435E+03 -0.46212E+00 -0.18370E-01 8172 0.246E+01 0.191E-01 RMM: 2 -0.327585368823E+03 -0.93804E-02 -0.80839E-02 4937 0.699E-01 0.633E-01 RMM: 3 -0.327582683740E+03 0.26851E-02 -0.93722E-03 5727 0.190E-01 0.131E-01 RMM: 4 -0.327582676917E+03 0.68237E-05 -0.60989E-04 4619 0.584E-02 0.184E-01 RMM: 5 -0.327582444100E+03 0.23282E-03 -0.14931E-04 3850 0.335E-02 0.617E-02 RMM: 6 -0.327582431263E+03 0.12837E-04 -0.36492E-05 2964 0.176E-02 5970 T= 6843. E= 0.67638635E+03 F= 0.61977688E+03 E0= 0.64821868E+03 EK= 0.56609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327701499555E+03 -0.11906E+00 -0.19826E-01 7968 0.249E+01 0.267E-01 RMM: 2 -0.327722020424E+03 -0.20521E-01 -0.10026E-01 4849 0.775E-01 0.134E+00 RMM: 3 -0.327709413957E+03 0.12606E-01 -0.12876E-02 5414 0.253E-01 0.194E-01 RMM: 4 -0.327709241140E+03 0.17282E-03 -0.11898E-03 4708 0.738E-02 0.159E-01 RMM: 5 -0.327709119752E+03 0.12139E-03 -0.18709E-04 3903 0.346E-02 0.109E-01 RMM: 6 -0.327709045936E+03 0.73816E-04 -0.54580E-05 3252 0.216E-02 0.412E-02 RMM: 7 -0.327709061628E+03 -0.15692E-04 -0.41159E-05 3008 0.191E-02 5971 T= 6902. E= 0.67681037E+03 F= 0.61971425E+03 E0= 0.64820946E+03 EK= 0.57096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327455878596E+03 0.25317E+00 -0.19212E-01 7956 0.248E+01 0.240E-01 RMM: 2 -0.327471916679E+03 -0.16038E-01 -0.82120E-02 4805 0.717E-01 0.117E+00 RMM: 3 -0.327462550788E+03 0.93659E-02 -0.10695E-02 5385 0.236E-01 0.246E-01 RMM: 4 -0.327462213399E+03 0.33739E-03 -0.11179E-03 4722 0.745E-02 0.130E-01 RMM: 5 -0.327462171632E+03 0.41766E-04 -0.18764E-04 3878 0.368E-02 0.113E-01 RMM: 6 -0.327462082251E+03 0.89382E-04 -0.53057E-05 3242 0.218E-02 0.350E-02 RMM: 7 -0.327462091882E+03 -0.96313E-05 -0.26998E-05 2571 0.160E-02 5972 T= 6735. E= 0.67574928E+03 F= 0.62002946E+03 E0= 0.64857412E+03 EK= 0.55720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326867353530E+03 0.59473E+00 -0.18204E-01 7956 0.243E+01 0.210E-01 RMM: 2 -0.326879702092E+03 -0.12349E-01 -0.77700E-02 4824 0.683E-01 0.936E-01 RMM: 3 -0.326873606750E+03 0.60953E-02 -0.93988E-03 5440 0.211E-01 0.176E-01 RMM: 4 -0.326873446695E+03 0.16006E-03 -0.74673E-04 4668 0.606E-02 0.123E-01 RMM: 5 -0.326873394273E+03 0.52423E-04 -0.13546E-04 3850 0.309E-02 0.108E-01 RMM: 6 -0.326873322659E+03 0.71613E-04 -0.61718E-05 3363 0.228E-02 0.430E-02 RMM: 7 -0.326873356135E+03 -0.33476E-04 -0.41913E-05 3052 0.186E-02 0.870E-02 RMM: 8 -0.326873309458E+03 0.46677E-04 -0.37750E-05 2820 0.190E-02 0.294E-02 RMM: 9 -0.326873305415E+03 0.40431E-05 -0.10661E-05 2462 0.982E-03 5973 T= 6417. E= 0.67377899E+03 F= 0.62069154E+03 E0= 0.64928010E+03 EK= 0.53087E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326014587564E+03 0.85872E+00 -0.18499E-01 7872 0.236E+01 0.166E-01 RMM: 2 -0.326026572055E+03 -0.11984E-01 -0.10107E-01 4706 0.759E-01 0.664E-01 RMM: 3 -0.326023306848E+03 0.32652E-02 -0.11648E-02 5866 0.202E-01 0.125E-01 RMM: 4 -0.326023155063E+03 0.15179E-03 -0.58529E-04 4653 0.595E-02 0.148E-01 RMM: 5 -0.326023019344E+03 0.13572E-03 -0.13089E-04 3866 0.338E-02 0.687E-02 RMM: 6 -0.326022999752E+03 0.19592E-04 -0.52946E-05 3218 0.210E-02 5974 T= 6076. E= 0.67188679E+03 F= 0.62162070E+03 E0= 0.65024730E+03 EK= 0.50266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325001696811E+03 0.10213E+01 -0.16934E-01 7608 0.230E+01 0.266E-01 RMM: 2 -0.325023927943E+03 -0.22231E-01 -0.89460E-02 4905 0.724E-01 0.146E+00 RMM: 3 -0.325008759049E+03 0.15169E-01 -0.11960E-02 5388 0.250E-01 0.228E-01 RMM: 4 -0.325008434133E+03 0.32492E-03 -0.11639E-03 4776 0.696E-02 0.109E-01 RMM: 5 -0.325008402765E+03 0.31367E-04 -0.20195E-04 3897 0.380E-02 0.112E-01 RMM: 6 -0.325008336431E+03 0.66334E-04 -0.89083E-05 3625 0.264E-02 0.620E-02 RMM: 7 -0.325008385460E+03 -0.49029E-04 -0.63912E-05 3397 0.225E-02 0.105E-01 RMM: 8 -0.325008316507E+03 0.68953E-04 -0.39063E-05 3043 0.199E-02 0.306E-02 RMM: 9 -0.325008314968E+03 0.15392E-05 -0.12525E-05 2489 0.105E-02 5975 T= 5832. E= 0.67096351E+03 F= 0.62271965E+03 E0= 0.65137815E+03 EK= 0.48244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323912350782E+03 0.10960E+01 -0.16294E-01 7872 0.227E+01 0.264E-01 RMM: 2 -0.323937103708E+03 -0.24753E-01 -0.85313E-02 4808 0.703E-01 0.160E+00 RMM: 3 -0.323918825868E+03 0.18278E-01 -0.11709E-02 5370 0.253E-01 0.184E-01 RMM: 4 -0.323918656442E+03 0.16943E-03 -0.12220E-03 4741 0.721E-02 0.127E-01 RMM: 5 -0.323918610181E+03 0.46260E-04 -0.16968E-04 3867 0.328E-02 0.116E-01 RMM: 6 -0.323918522770E+03 0.87411E-04 -0.60871E-05 3353 0.229E-02 0.329E-02 RMM: 7 -0.323918542591E+03 -0.19821E-04 -0.30017E-05 2731 0.167E-02 5976 T= 5760. E= 0.67155001E+03 F= 0.62389822E+03 E0= 0.65258344E+03 EK= 0.47652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322817265949E+03 0.11013E+01 -0.16683E-01 7812 0.227E+01 0.184E-01 RMM: 2 -0.322828107503E+03 -0.10842E-01 -0.74994E-02 4997 0.643E-01 0.800E-01 RMM: 3 -0.322823403542E+03 0.47040E-02 -0.81595E-03 5586 0.180E-01 0.150E-01 RMM: 4 -0.322823292814E+03 0.11073E-03 -0.61548E-04 4620 0.566E-02 0.136E-01 RMM: 5 -0.322823189531E+03 0.10328E-03 -0.13787E-04 3875 0.309E-02 0.891E-02 RMM: 6 -0.322823150441E+03 0.39090E-04 -0.52653E-05 3257 0.207E-02 0.546E-02 RMM: 7 -0.322823181961E+03 -0.31521E-04 -0.55534E-05 3369 0.212E-02 0.885E-02 RMM: 8 -0.322823130882E+03 0.51080E-04 -0.28819E-05 2850 0.173E-02 0.195E-02 RMM: 9 -0.322823132248E+03 -0.13664E-05 -0.84401E-06 2458 0.817E-03 5977 T= 5890. E= 0.67381538E+03 F= 0.62508549E+03 E0= 0.65379263E+03 EK= 0.48730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321765958417E+03 0.10572E+01 -0.17857E-01 7932 0.231E+01 0.197E-01 RMM: 2 -0.321778602038E+03 -0.12644E-01 -0.90018E-02 4847 0.709E-01 0.868E-01 RMM: 3 -0.321773288803E+03 0.53132E-02 -0.10184E-02 5718 0.196E-01 0.127E-01 RMM: 4 -0.321773209323E+03 0.79480E-04 -0.70420E-04 4653 0.612E-02 0.160E-01 RMM: 5 -0.321773060208E+03 0.14912E-03 -0.14135E-04 3845 0.308E-02 0.825E-02 RMM: 6 -0.321773018151E+03 0.42057E-04 -0.41280E-05 3078 0.191E-02 0.358E-02 RMM: 7 -0.321773031317E+03 -0.13166E-04 -0.24923E-05 2580 0.150E-02 5978 T= 6204. E= 0.67755011E+03 F= 0.62622895E+03 E0= 0.65495396E+03 EK= 0.51321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320802283505E+03 0.97073E+00 -0.18669E-01 8052 0.237E+01 0.183E-01 RMM: 2 -0.320812045621E+03 -0.97621E-02 -0.86079E-02 4968 0.688E-01 0.603E-01 RMM: 3 -0.320809495943E+03 0.25497E-02 -0.96609E-03 5934 0.179E-01 0.144E-01 RMM: 4 -0.320809382691E+03 0.11325E-03 -0.60157E-04 4571 0.592E-02 0.174E-01 RMM: 5 -0.320809174814E+03 0.20788E-03 -0.14601E-04 3839 0.321E-02 0.592E-02 RMM: 6 -0.320809168689E+03 0.61245E-05 -0.37061E-05 3005 0.179E-02 5979 T= 6623. E= 0.68207928E+03 F= 0.62728659E+03 E0= 0.65602595E+03 EK= 0.54793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319965555834E+03 0.84362E+00 -0.20260E-01 7920 0.244E+01 0.287E-01 RMM: 2 -0.319988203002E+03 -0.22647E-01 -0.10660E-01 4918 0.782E-01 0.144E+00 RMM: 3 -0.319974018899E+03 0.14184E-01 -0.13664E-02 5416 0.263E-01 0.277E-01 RMM: 4 -0.319973565009E+03 0.45389E-03 -0.14457E-03 4745 0.796E-02 0.133E-01 RMM: 5 -0.319973522359E+03 0.42650E-04 -0.23741E-04 3893 0.372E-02 0.129E-01 RMM: 6 -0.319973415330E+03 0.10703E-03 -0.79687E-05 3522 0.256E-02 0.493E-02 RMM: 7 -0.319973419870E+03 -0.45395E-05 -0.32475E-05 2818 0.168E-02 5980 T= 7012. E= 0.68622696E+03 F= 0.62821636E+03 E0= 0.65696607E+03 EK= 0.58011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319310028545E+03 0.66339E+00 -0.20331E-01 7860 0.248E+01 0.292E-01 RMM: 2 -0.319335702591E+03 -0.25674E-01 -0.11246E-01 4966 0.802E-01 0.156E+00 RMM: 3 -0.319319086245E+03 0.16616E-01 -0.14141E-02 5421 0.265E-01 0.292E-01 RMM: 4 -0.319318533215E+03 0.55303E-03 -0.16225E-03 4824 0.861E-02 0.143E-01 RMM: 5 -0.319318508894E+03 0.24321E-04 -0.26312E-04 3889 0.404E-02 0.136E-01 RMM: 6 -0.319318382230E+03 0.12666E-03 -0.81112E-05 3542 0.259E-02 0.387E-02 RMM: 7 -0.319318385629E+03 -0.33996E-05 -0.24605E-05 2592 0.143E-02 5981 T= 7213. E= 0.68863539E+03 F= 0.62896654E+03 E0= 0.65772217E+03 EK= 0.59669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318894137358E+03 0.42424E+00 -0.21002E-01 7848 0.249E+01 0.288E-01 RMM: 2 -0.318918659640E+03 -0.24522E-01 -0.14506E-01 4913 0.906E-01 0.136E+00 RMM: 3 -0.318906071868E+03 0.12588E-01 -0.17519E-02 5493 0.277E-01 0.266E-01 RMM: 4 -0.318905543077E+03 0.52879E-03 -0.15104E-03 4991 0.812E-02 0.123E-01 RMM: 5 -0.318905532160E+03 0.10917E-04 -0.25009E-04 3916 0.379E-02 0.137E-01 RMM: 6 -0.318905408068E+03 0.12409E-03 -0.98687E-05 3734 0.278E-02 0.451E-02 RMM: 7 -0.318905432314E+03 -0.24246E-04 -0.34751E-05 2937 0.166E-02 0.821E-02 RMM: 8 -0.318905399846E+03 0.32468E-04 -0.46999E-05 3046 0.202E-02 0.488E-02 RMM: 9 -0.318905385508E+03 0.14338E-04 -0.16407E-05 2501 0.125E-02 5982 T= 7134. E= 0.68849561E+03 F= 0.62947751E+03 E0= 0.65823391E+03 EK= 0.59018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318782804814E+03 0.12260E+00 -0.21320E-01 7728 0.246E+01 0.209E-01 RMM: 2 -0.318802209947E+03 -0.19405E-01 -0.15092E-01 4800 0.920E-01 0.931E-01 RMM: 3 -0.318795864351E+03 0.63456E-02 -0.17076E-02 5866 0.242E-01 0.161E-01 RMM: 4 -0.318795607316E+03 0.25704E-03 -0.98305E-04 4801 0.740E-02 0.181E-01 RMM: 5 -0.318795416749E+03 0.19057E-03 -0.19579E-04 3915 0.381E-02 0.892E-02 RMM: 6 -0.318795373586E+03 0.43163E-04 -0.59639E-05 3327 0.220E-02 0.516E-02 RMM: 7 -0.318795402625E+03 -0.29039E-04 -0.55095E-05 3298 0.210E-02 0.875E-02 RMM: 8 -0.318795353501E+03 0.49124E-04 -0.33537E-05 2902 0.181E-02 0.232E-02 RMM: 9 -0.318795352979E+03 0.52270E-06 -0.99316E-06 2459 0.894E-03 5983 T= 6819. E= 0.68610013E+03 F= 0.62969039E+03 E0= 0.65844314E+03 EK= 0.56410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319022075128E+03 -0.22672E+00 -0.19346E-01 7704 0.240E+01 0.204E-01 RMM: 2 -0.319036356556E+03 -0.14281E-01 -0.11446E-01 4979 0.797E-01 0.804E-01 RMM: 3 -0.319031712312E+03 0.46442E-02 -0.12641E-02 5799 0.211E-01 0.170E-01 RMM: 4 -0.319031448496E+03 0.26382E-03 -0.77996E-04 4711 0.652E-02 0.143E-01 RMM: 5 -0.319031321707E+03 0.12679E-03 -0.16500E-04 3906 0.349E-02 0.842E-02 RMM: 6 -0.319031296722E+03 0.24985E-04 -0.64409E-05 3391 0.227E-02 0.644E-02 RMM: 7 -0.319031316812E+03 -0.20089E-04 -0.51633E-05 3201 0.211E-02 0.875E-02 RMM: 8 -0.319031267871E+03 0.48941E-04 -0.25423E-05 2627 0.163E-02 0.201E-02 RMM: 9 -0.319031270330E+03 -0.24584E-05 -0.10372E-05 2462 0.909E-03 5984 T= 6411. E= 0.68260318E+03 F= 0.62956399E+03 E0= 0.65830988E+03 EK= 0.53039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319613757403E+03 -0.58249E+00 -0.17833E-01 7836 0.234E+01 0.210E-01 RMM: 2 -0.319626488237E+03 -0.12731E-01 -0.91990E-02 5105 0.722E-01 0.872E-01 RMM: 3 -0.319621236067E+03 0.52522E-02 -0.98934E-03 5730 0.189E-01 0.157E-01 RMM: 4 -0.319621062755E+03 0.17331E-03 -0.71597E-04 4660 0.637E-02 0.154E-01 RMM: 5 -0.319620930202E+03 0.13255E-03 -0.17312E-04 3882 0.358E-02 0.937E-02 RMM: 6 -0.319620893025E+03 0.37176E-04 -0.61901E-05 3395 0.225E-02 0.630E-02 RMM: 7 -0.319620915510E+03 -0.22485E-04 -0.53158E-05 3263 0.209E-02 0.873E-02 RMM: 8 -0.319620866951E+03 0.48560E-04 -0.29458E-05 2883 0.176E-02 0.213E-02 RMM: 9 -0.319620868318E+03 -0.13679E-05 -0.91597E-06 2458 0.848E-03 5985 T= 6066. E= 0.67927312E+03 F= 0.62909150E+03 E0= 0.65782934E+03 EK= 0.50182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320527632496E+03 -0.90677E+00 -0.17133E-01 7812 0.231E+01 0.191E-01 RMM: 2 -0.320536644511E+03 -0.90120E-02 -0.78816E-02 5098 0.673E-01 0.615E-01 RMM: 3 -0.320533984226E+03 0.26603E-02 -0.81383E-03 5838 0.167E-01 0.128E-01 RMM: 4 -0.320533976618E+03 0.76072E-05 -0.59196E-04 4635 0.600E-02 0.190E-01 RMM: 5 -0.320533753518E+03 0.22310E-03 -0.17392E-04 3880 0.361E-02 0.846E-02 RMM: 6 -0.320533725178E+03 0.28340E-04 -0.65473E-05 3415 0.230E-02 0.624E-02 RMM: 7 -0.320533749523E+03 -0.24345E-04 -0.45138E-05 3103 0.201E-02 0.870E-02 RMM: 8 -0.320533700704E+03 0.48819E-04 -0.23324E-05 2626 0.157E-02 0.200E-02 RMM: 9 -0.320533701608E+03 -0.90350E-06 -0.81332E-06 2456 0.801E-03 5986 T= 5883. E= 0.67697141E+03 F= 0.62830318E+03 E0= 0.65703415E+03 EK= 0.48668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321696214632E+03 -0.11625E+01 -0.16655E-01 7932 0.231E+01 0.214E-01 RMM: 2 -0.321706764619E+03 -0.10550E-01 -0.82697E-02 5085 0.682E-01 0.763E-01 RMM: 3 -0.321702750288E+03 0.40143E-02 -0.85699E-03 5628 0.172E-01 0.131E-01 RMM: 4 -0.321702819118E+03 -0.68829E-04 -0.76628E-04 4693 0.684E-02 0.215E-01 RMM: 5 -0.321702529104E+03 0.29001E-03 -0.19771E-04 3877 0.369E-02 0.856E-02 RMM: 6 -0.321702490697E+03 0.38407E-04 -0.48328E-05 3202 0.202E-02 0.500E-02 RMM: 7 -0.321702512761E+03 -0.22064E-04 -0.40865E-05 3021 0.186E-02 0.786E-02 RMM: 8 -0.321702473792E+03 0.38970E-04 -0.23998E-05 2653 0.160E-02 0.166E-02 RMM: 9 -0.321702475411E+03 -0.16193E-05 -0.67527E-06 2448 0.716E-03 5987 T= 5898. E= 0.67606096E+03 F= 0.62726504E+03 E0= 0.65599206E+03 EK= 0.48796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323020500044E+03 -0.13180E+01 -0.16320E-01 7896 0.234E+01 0.226E-01 RMM: 2 -0.323029214599E+03 -0.87146E-02 -0.74706E-02 5002 0.675E-01 0.667E-01 RMM: 3 -0.323026274233E+03 0.29404E-02 -0.82365E-03 5629 0.179E-01 0.154E-01 RMM: 4 -0.323026415431E+03 -0.14120E-03 -0.78449E-04 4642 0.679E-02 0.247E-01 RMM: 5 -0.323026026331E+03 0.38910E-03 -0.22659E-04 3879 0.393E-02 0.906E-02 RMM: 6 -0.323025975395E+03 0.50936E-04 -0.54692E-05 3285 0.215E-02 0.413E-02 RMM: 7 -0.323026000840E+03 -0.25445E-04 -0.40803E-05 2966 0.189E-02 0.789E-02 RMM: 8 -0.323025961143E+03 0.39697E-04 -0.22742E-05 2560 0.152E-02 0.191E-02 RMM: 9 -0.323025962180E+03 -0.10371E-05 -0.84674E-06 2452 0.830E-03 5988 T= 6093. E= 0.67648140E+03 F= 0.62607653E+03 E0= 0.65480387E+03 EK= 0.50405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324371916534E+03 -0.13460E+01 -0.16335E-01 8016 0.240E+01 0.241E-01 RMM: 2 -0.324379386253E+03 -0.74697E-02 -0.62654E-02 5267 0.618E-01 0.695E-01 RMM: 3 -0.324376367629E+03 0.30186E-02 -0.59384E-03 5579 0.156E-01 0.149E-01 RMM: 4 -0.324376627703E+03 -0.26007E-03 -0.75818E-04 4617 0.677E-02 0.273E-01 RMM: 5 -0.324376117554E+03 0.51015E-03 -0.26041E-04 3885 0.418E-02 0.666E-02 RMM: 6 -0.324376097312E+03 0.20242E-04 -0.39001E-05 3063 0.181E-02 0.500E-02 RMM: 7 -0.324376101864E+03 -0.45513E-05 -0.37177E-05 2720 0.177E-02 5989 T= 6397. E= 0.67778584E+03 F= 0.62486408E+03 E0= 0.65359646E+03 EK= 0.52922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325605427187E+03 -0.12293E+01 -0.17310E-01 7944 0.246E+01 0.253E-01 RMM: 2 -0.325613503533E+03 -0.80763E-02 -0.74931E-02 5202 0.677E-01 0.634E-01 RMM: 3 -0.325611038626E+03 0.24649E-02 -0.76548E-03 5638 0.175E-01 0.193E-01 RMM: 4 -0.325611265064E+03 -0.22644E-03 -0.84417E-04 4643 0.696E-02 0.300E-01 RMM: 5 -0.325610652167E+03 0.61290E-03 -0.30726E-04 3944 0.457E-02 0.666E-02 RMM: 6 -0.325610634289E+03 0.17877E-04 -0.42812E-05 3128 0.191E-02 5990 T= 6698. E= 0.67918126E+03 F= 0.62376915E+03 E0= 0.65251082E+03 EK= 0.55412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326591981746E+03 -0.98133E+00 -0.18300E-01 7920 0.251E+01 0.318E-01 RMM: 2 -0.326610829714E+03 -0.18848E-01 -0.90248E-02 5139 0.732E-01 0.136E+00 RMM: 3 -0.326598476070E+03 0.12354E-01 -0.11185E-02 5371 0.241E-01 0.226E-01 RMM: 4 -0.326598614990E+03 -0.13892E-03 -0.14690E-03 4753 0.849E-02 0.280E-01 RMM: 5 -0.326598102905E+03 0.51208E-03 -0.30185E-04 3912 0.431E-02 0.111E-01 RMM: 6 -0.326598029377E+03 0.73529E-04 -0.78051E-05 3536 0.251E-02 0.532E-02 RMM: 7 -0.326598058800E+03 -0.29424E-04 -0.64874E-05 3469 0.221E-02 0.925E-02 RMM: 8 -0.326598003664E+03 0.55136E-04 -0.39901E-05 2992 0.185E-02 0.282E-02 RMM: 9 -0.326598005537E+03 -0.18721E-05 -0.16550E-05 2498 0.120E-02 5991 T= 6870. E= 0.67975400E+03 F= 0.62292363E+03 E0= 0.65167761E+03 EK= 0.56830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327244073474E+03 -0.64607E+00 -0.18633E-01 7884 0.252E+01 0.295E-01 RMM: 2 -0.327261321818E+03 -0.17248E-01 -0.80451E-02 5087 0.704E-01 0.131E+00 RMM: 3 -0.327249863243E+03 0.11459E-01 -0.99653E-03 5387 0.229E-01 0.245E-01 RMM: 4 -0.327249793759E+03 0.69484E-04 -0.15142E-03 4784 0.887E-02 0.247E-01 RMM: 5 -0.327249454417E+03 0.33934E-03 -0.31653E-04 4009 0.472E-02 0.127E-01 RMM: 6 -0.327249343404E+03 0.11101E-03 -0.65093E-05 3412 0.236E-02 0.336E-02 RMM: 7 -0.327249355373E+03 -0.11969E-04 -0.34137E-05 2803 0.164E-02 5992 T= 6832. E= 0.67893342E+03 F= 0.62241770E+03 E0= 0.65118438E+03 EK= 0.56516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327534964409E+03 -0.28562E+00 -0.18685E-01 7512 0.249E+01 0.231E-01 RMM: 2 -0.327546127117E+03 -0.11163E-01 -0.80527E-02 5013 0.678E-01 0.833E-01 RMM: 3 -0.327541254256E+03 0.48729E-02 -0.87230E-03 5549 0.189E-01 0.150E-01 RMM: 4 -0.327541401174E+03 -0.14692E-03 -0.87342E-04 4684 0.707E-02 0.244E-01 RMM: 5 -0.327541020710E+03 0.38046E-03 -0.24657E-04 3905 0.412E-02 0.871E-02 RMM: 6 -0.327540995842E+03 0.24868E-04 -0.68651E-05 3458 0.234E-02 0.692E-02 RMM: 7 -0.327541011586E+03 -0.15744E-04 -0.52408E-05 3247 0.205E-02 5993 T= 6599. E= 0.67687190E+03 F= 0.62227676E+03 E0= 0.65105454E+03 EK= 0.54595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327508591509E+03 0.32404E-01 -0.17930E-01 7584 0.244E+01 0.222E-01 RMM: 2 -0.327519488384E+03 -0.10897E-01 -0.81195E-02 4940 0.695E-01 0.814E-01 RMM: 3 -0.327515041333E+03 0.44471E-02 -0.91956E-03 5693 0.189E-01 0.166E-01 RMM: 4 -0.327515020806E+03 0.20527E-04 -0.80545E-04 4672 0.695E-02 0.211E-01 RMM: 5 -0.327514749129E+03 0.27168E-03 -0.23833E-04 3918 0.423E-02 0.983E-02 RMM: 6 -0.327514714943E+03 0.34186E-04 -0.91212E-05 3596 0.270E-02 0.722E-02 RMM: 7 -0.327514744732E+03 -0.29790E-04 -0.63782E-05 3442 0.223E-02 0.985E-02 RMM: 8 -0.327514683584E+03 0.61149E-04 -0.32715E-05 2940 0.184E-02 0.222E-02 RMM: 9 -0.327514685798E+03 -0.22144E-05 -0.99627E-06 2466 0.888E-03 5994 T= 6273. E= 0.67435087E+03 F= 0.62246042E+03 E0= 0.65124548E+03 EK= 0.51890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327240546523E+03 0.27414E+00 -0.18175E-01 7524 0.238E+01 0.205E-01 RMM: 2 -0.327253900102E+03 -0.13354E-01 -0.10385E-01 4831 0.779E-01 0.810E-01 RMM: 3 -0.327249259726E+03 0.46404E-02 -0.11835E-02 5824 0.204E-01 0.140E-01 RMM: 4 -0.327249140797E+03 0.11893E-03 -0.76234E-04 4703 0.687E-02 0.181E-01 RMM: 5 -0.327248934612E+03 0.20618E-03 -0.22695E-04 3964 0.427E-02 0.858E-02 RMM: 6 -0.327248930699E+03 0.39123E-05 -0.99402E-05 3714 0.276E-02 5995 T= 5975. E= 0.67231978E+03 F= 0.62289044E+03 E0= 0.65167841E+03 EK= 0.49429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326820225535E+03 0.42871E+00 -0.17100E-01 7416 0.233E+01 0.315E-01 RMM: 2 -0.326845201486E+03 -0.24976E-01 -0.94522E-02 4940 0.749E-01 0.160E+00 RMM: 3 -0.326827403548E+03 0.17798E-01 -0.13354E-02 5380 0.267E-01 0.256E-01 RMM: 4 -0.326827067789E+03 0.33576E-03 -0.14120E-03 4756 0.786E-02 0.170E-01 RMM: 5 -0.326827025168E+03 0.42621E-04 -0.40329E-04 4473 0.547E-02 0.173E-01 RMM: 6 -0.326826851058E+03 0.17411E-03 -0.18497E-04 3883 0.364E-02 0.763E-02 RMM: 7 -0.326826925912E+03 -0.74854E-04 -0.11536E-04 3865 0.295E-02 0.128E-01 RMM: 8 -0.326826822640E+03 0.10327E-03 -0.54854E-05 3356 0.230E-02 0.387E-02 RMM: 9 -0.326826818917E+03 0.37227E-05 -0.13153E-05 2510 0.108E-02 5996 T= 5804. E= 0.67149819E+03 F= 0.62348265E+03 E0= 0.65227108E+03 EK= 0.48016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326307826517E+03 0.51900E+00 -0.16728E-01 7596 0.231E+01 0.301E-01 RMM: 2 -0.326331115373E+03 -0.23289E-01 -0.81217E-02 4929 0.699E-01 0.159E+00 RMM: 3 -0.326313863869E+03 0.17252E-01 -0.11701E-02 5366 0.256E-01 0.272E-01 RMM: 4 -0.326313432111E+03 0.43176E-03 -0.14557E-03 4768 0.829E-02 0.155E-01 RMM: 5 -0.326313450858E+03 -0.18747E-04 -0.28337E-04 3948 0.449E-02 0.173E-01 RMM: 6 -0.326313246664E+03 0.20419E-03 -0.12240E-04 3855 0.319E-02 0.404E-02 RMM: 7 -0.326313290933E+03 -0.44270E-04 -0.53736E-05 3266 0.201E-02 0.920E-02 RMM: 8 -0.326313238958E+03 0.51975E-04 -0.32499E-05 2853 0.193E-02 0.259E-02 RMM: 9 -0.326313236394E+03 0.25640E-05 -0.75328E-06 2461 0.804E-03 5997 T= 5811. E= 0.67224506E+03 F= 0.62416989E+03 E0= 0.65295571E+03 EK= 0.48075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325739177232E+03 0.57406E+00 -0.17244E-01 7560 0.233E+01 0.264E-01 RMM: 2 -0.325755564691E+03 -0.16387E-01 -0.86444E-02 4949 0.712E-01 0.119E+00 RMM: 3 -0.325745975609E+03 0.95891E-02 -0.10514E-02 5483 0.220E-01 0.214E-01 RMM: 4 -0.325745816815E+03 0.15879E-03 -0.11463E-03 4690 0.769E-02 0.191E-01 RMM: 5 -0.325745672823E+03 0.14399E-03 -0.28540E-04 3961 0.445E-02 0.143E-01 RMM: 6 -0.325745547160E+03 0.12566E-03 -0.11175E-04 3821 0.302E-02 0.575E-02 RMM: 7 -0.325745586058E+03 -0.38898E-04 -0.75324E-05 3526 0.238E-02 0.961E-02 RMM: 8 -0.325745531247E+03 0.54811E-04 -0.37052E-05 3032 0.201E-02 0.376E-02 RMM: 9 -0.325745524015E+03 0.72322E-05 -0.94717E-06 2474 0.917E-03 5998 T= 6002. E= 0.67456675E+03 F= 0.62491199E+03 E0= 0.65369436E+03 EK= 0.49655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325126003708E+03 0.61953E+00 -0.18362E-01 7572 0.238E+01 0.252E-01 RMM: 2 -0.325139469353E+03 -0.13466E-01 -0.93387E-02 4937 0.736E-01 0.957E-01 RMM: 3 -0.325133424993E+03 0.60444E-02 -0.11016E-02 5706 0.209E-01 0.160E-01 RMM: 4 -0.325133525911E+03 -0.10092E-03 -0.99943E-04 4659 0.737E-02 0.256E-01 RMM: 5 -0.325133137788E+03 0.38812E-03 -0.26721E-04 3923 0.432E-02 0.106E-01 RMM: 6 -0.325133075351E+03 0.62437E-04 -0.80256E-05 3531 0.255E-02 0.504E-02 RMM: 7 -0.325133109786E+03 -0.34436E-04 -0.45173E-05 3101 0.195E-02 0.887E-02 RMM: 8 -0.325133058559E+03 0.51227E-04 -0.28900E-05 2766 0.176E-02 0.183E-02 RMM: 9 -0.325133061622E+03 -0.30629E-05 -0.86609E-06 2459 0.837E-03 5999 T= 6334. E= 0.67809358E+03 F= 0.62569720E+03 E0= 0.65447606E+03 EK= 0.52396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324454726512E+03 0.67833E+00 -0.19444E-01 7776 0.244E+01 0.235E-01 RMM: 2 -0.324467483673E+03 -0.12757E-01 -0.10588E-01 4955 0.768E-01 0.762E-01 RMM: 3 -0.324463542755E+03 0.39409E-02 -0.12004E-02 5855 0.203E-01 0.172E-01 RMM: 4 -0.324463564590E+03 -0.21835E-04 -0.10385E-03 4716 0.790E-02 0.256E-01 RMM: 5 -0.324463153667E+03 0.41092E-03 -0.29537E-04 3982 0.457E-02 0.928E-02 RMM: 6 -0.324463102750E+03 0.50918E-04 -0.54193E-05 3270 0.212E-02 0.448E-02 RMM: 7 -0.324463120856E+03 -0.18107E-04 -0.47297E-05 3128 0.197E-02 6000 T= 6707. E= 0.68202420E+03 F= 0.62653712E+03 E0= 0.65531357E+03 EK= 0.55487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323708794521E+03 0.75431E+00 -0.20188E-01 7728 0.250E+01 0.259E-01 RMM: 2 -0.323723229174E+03 -0.14435E-01 -0.12070E-01 4938 0.823E-01 0.822E-01 RMM: 3 -0.323718795095E+03 0.44341E-02 -0.14158E-02 5907 0.222E-01 0.187E-01 RMM: 4 -0.323718787638E+03 0.74578E-05 -0.11336E-03 4744 0.815E-02 0.269E-01 RMM: 5 -0.323718331030E+03 0.45661E-03 -0.30499E-04 3967 0.446E-02 0.100E-01 RMM: 6 -0.323718279684E+03 0.51346E-04 -0.72389E-05 3463 0.242E-02 0.583E-02 RMM: 7 -0.323718307797E+03 -0.28113E-04 -0.60394E-05 3388 0.212E-02 0.905E-02 RMM: 8 -0.323718256868E+03 0.50929E-04 -0.39685E-05 3023 0.198E-02 0.295E-02 RMM: 9 -0.323718255876E+03 0.99200E-06 -0.11409E-05 2477 0.984E-03 6001 T= 6984. E= 0.68522820E+03 F= 0.62744968E+03 E0= 0.65622572E+03 EK= 0.57779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322884750674E+03 0.83351E+00 -0.22175E-01 7980 0.253E+01 0.256E-01 RMM: 2 -0.322903462860E+03 -0.18712E-01 -0.14582E-01 4815 0.901E-01 0.957E-01 RMM: 3 -0.322897039393E+03 0.64235E-02 -0.17059E-02 5886 0.245E-01 0.165E-01 RMM: 4 -0.322897087216E+03 -0.47823E-04 -0.11980E-03 4838 0.828E-02 0.279E-01 RMM: 5 -0.322896589664E+03 0.49755E-03 -0.29405E-04 3972 0.440E-02 0.960E-02 RMM: 6 -0.322896537640E+03 0.52024E-04 -0.79776E-05 3502 0.250E-02 0.482E-02 RMM: 7 -0.322896565041E+03 -0.27401E-04 -0.40723E-05 3021 0.182E-02 0.827E-02 RMM: 8 -0.322896521500E+03 0.43541E-04 -0.30150E-05 2725 0.179E-02 0.227E-02 RMM: 9 -0.322896521701E+03 -0.20155E-06 -0.92531E-06 2463 0.875E-03 6002 T= 7043. E= 0.68670484E+03 F= 0.62843882E+03 E0= 0.65721665E+03 EK= 0.58266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322011169751E+03 0.88535E+00 -0.21754E-01 8028 0.253E+01 0.237E-01 RMM: 2 -0.322026970541E+03 -0.15801E-01 -0.13779E-01 4869 0.872E-01 0.759E-01 RMM: 3 -0.322022862946E+03 0.41076E-02 -0.15656E-02 5957 0.231E-01 0.173E-01 RMM: 4 -0.322022739299E+03 0.12365E-03 -0.10467E-03 4799 0.795E-02 0.236E-01 RMM: 5 -0.322022402625E+03 0.33667E-03 -0.27076E-04 3914 0.431E-02 0.106E-01 RMM: 6 -0.322022345125E+03 0.57500E-04 -0.76640E-05 3522 0.248E-02 0.604E-02 RMM: 7 -0.322022370440E+03 -0.25314E-04 -0.56328E-05 3296 0.213E-02 0.891E-02 RMM: 8 -0.322022320449E+03 0.49990E-04 -0.30806E-05 2907 0.181E-02 0.225E-02 RMM: 9 -0.322022322698E+03 -0.22489E-05 -0.99332E-06 2467 0.890E-03 6003 T= 6855. E= 0.68619510E+03 F= 0.62948287E+03 E0= 0.65826481E+03 EK= 0.56712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321137559606E+03 0.88476E+00 -0.21370E-01 7992 0.248E+01 0.238E-01 RMM: 2 -0.321154181561E+03 -0.16622E-01 -0.13498E-01 4890 0.863E-01 0.845E-01 RMM: 3 -0.321148869202E+03 0.53124E-02 -0.15106E-02 5938 0.231E-01 0.166E-01 RMM: 4 -0.321148729645E+03 0.13956E-03 -0.98284E-04 4790 0.772E-02 0.220E-01 RMM: 5 -0.321148440474E+03 0.28917E-03 -0.26558E-04 3973 0.435E-02 0.109E-01 RMM: 6 -0.321148393596E+03 0.46878E-04 -0.10099E-04 3719 0.279E-02 0.738E-02 RMM: 7 -0.321148427977E+03 -0.34381E-04 -0.63389E-05 3414 0.224E-02 0.102E-01 RMM: 8 -0.321148360220E+03 0.67758E-04 -0.35890E-05 3021 0.194E-02 0.253E-02 RMM: 9 -0.321148361279E+03 -0.10594E-05 -0.10343E-05 2475 0.913E-03 6004 T= 6507. E= 0.68435811E+03 F= 0.63053168E+03 E0= 0.65932036E+03 EK= 0.53826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320330786168E+03 0.81757E+00 -0.20120E-01 7788 0.242E+01 0.223E-01 RMM: 2 -0.320346668089E+03 -0.15882E-01 -0.13320E-01 4918 0.844E-01 0.795E-01 RMM: 3 -0.320341935564E+03 0.47325E-02 -0.14494E-02 6018 0.221E-01 0.155E-01 RMM: 4 -0.320341750167E+03 0.18540E-03 -0.88942E-04 4753 0.755E-02 0.207E-01 RMM: 5 -0.320341495234E+03 0.25493E-03 -0.27595E-04 4023 0.457E-02 0.107E-01 RMM: 6 -0.320341474909E+03 0.20325E-04 -0.11531E-04 3830 0.293E-02 0.931E-02 RMM: 7 -0.320341476096E+03 -0.11871E-05 -0.60968E-05 3397 0.226E-02 6005 T= 6140. E= 0.68231581E+03 F= 0.63151992E+03 E0= 0.66031776E+03 EK= 0.50796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319650210041E+03 0.69126E+00 -0.19354E-01 7908 0.237E+01 0.239E-01 RMM: 2 -0.319665150934E+03 -0.14941E-01 -0.12600E-01 4987 0.827E-01 0.782E-01 RMM: 3 -0.319660702445E+03 0.44485E-02 -0.13812E-02 5965 0.217E-01 0.181E-01 RMM: 4 -0.319660505153E+03 0.19729E-03 -0.93960E-04 4730 0.759E-02 0.220E-01 RMM: 5 -0.319660190399E+03 0.31475E-03 -0.35058E-04 4262 0.513E-02 0.936E-02 RMM: 6 -0.319660254351E+03 -0.63952E-04 -0.13975E-04 3877 0.310E-02 0.135E-01 RMM: 7 -0.319660179946E+03 0.74405E-04 -0.77408E-05 3613 0.252E-02 0.857E-02 RMM: 8 -0.319660135180E+03 0.44766E-04 -0.34063E-05 3034 0.178E-02 0.280E-02 RMM: 9 -0.319660146673E+03 -0.11493E-04 -0.13595E-05 2496 0.105E-02 6006 T= 5883. E= 0.68106047E+03 F= 0.63238893E+03 E0= 0.66119804E+03 EK= 0.48672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319129344689E+03 0.53079E+00 -0.19344E-01 7896 0.234E+01 0.235E-01 RMM: 2 -0.319146049420E+03 -0.16705E-01 -0.12748E-01 4946 0.841E-01 0.930E-01 RMM: 3 -0.319139860651E+03 0.61888E-02 -0.13888E-02 5884 0.222E-01 0.181E-01 RMM: 4 -0.319139624449E+03 0.23620E-03 -0.97358E-04 4746 0.755E-02 0.197E-01 RMM: 5 -0.319139426479E+03 0.19797E-03 -0.28351E-04 4004 0.459E-02 0.124E-01 RMM: 6 -0.319139352468E+03 0.74011E-04 -0.11996E-04 3821 0.307E-02 0.657E-02 RMM: 7 -0.319139393557E+03 -0.41089E-04 -0.51106E-05 3246 0.201E-02 0.103E-01 RMM: 8 -0.319139323745E+03 0.69812E-04 -0.32601E-05 2926 0.188E-02 0.211E-02 RMM: 9 -0.319139323865E+03 -0.12066E-06 -0.78469E-06 2464 0.790E-03 6007 T= 5811. E= 0.68117458E+03 F= 0.63310195E+03 E0= 0.66192460E+03 EK= 0.48073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318777420566E+03 0.36190E+00 -0.19010E-01 7824 0.235E+01 0.238E-01 RMM: 2 -0.318790877135E+03 -0.13457E-01 -0.11802E-01 5021 0.794E-01 0.722E-01 RMM: 3 -0.318786993873E+03 0.38833E-02 -0.12381E-02 5978 0.202E-01 0.165E-01 RMM: 4 -0.318786989228E+03 0.46449E-05 -0.98602E-04 4749 0.793E-02 0.260E-01 RMM: 5 -0.318786551092E+03 0.43814E-03 -0.33388E-04 4065 0.486E-02 0.957E-02 RMM: 6 -0.318786548801E+03 0.22910E-05 -0.11670E-04 3858 0.292E-02 6008 T= 5944. E= 0.68281927E+03 F= 0.63364861E+03 E0= 0.66248736E+03 EK= 0.49171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318577506962E+03 0.20904E+00 -0.19713E-01 7752 0.239E+01 0.366E-01 RMM: 2 -0.318606079285E+03 -0.28572E-01 -0.11757E-01 5022 0.825E-01 0.170E+00 RMM: 3 -0.318586114173E+03 0.19965E-01 -0.16219E-02 5380 0.295E-01 0.282E-01 RMM: 4 -0.318585872913E+03 0.24126E-03 -0.19848E-03 4985 0.945E-02 0.242E-01 RMM: 5 -0.318585664882E+03 0.20803E-03 -0.40328E-04 4070 0.486E-02 0.185E-01 RMM: 6 -0.318585453149E+03 0.21173E-03 -0.17724E-04 3882 0.368E-02 0.714E-02 RMM: 7 -0.318585513032E+03 -0.59883E-04 -0.10418E-04 3841 0.273E-02 0.117E-01 RMM: 8 -0.318585437480E+03 0.75552E-04 -0.51175E-05 3273 0.214E-02 0.538E-02 RMM: 9 -0.318585422152E+03 0.15328E-04 -0.19639E-05 2549 0.134E-02 6009 T= 6250. E= 0.68574991E+03 F= 0.63404256E+03 E0= 0.66289931E+03 EK= 0.51707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318495414312E+03 0.90023E-01 -0.21205E-01 7776 0.246E+01 0.351E-01 RMM: 2 -0.318522996374E+03 -0.27582E-01 -0.13586E-01 4937 0.892E-01 0.158E+00 RMM: 3 -0.318505815634E+03 0.17181E-01 -0.17075E-02 5421 0.294E-01 0.310E-01 RMM: 4 -0.318505347306E+03 0.46833E-03 -0.22185E-03 5099 0.104E-01 0.226E-01 RMM: 5 -0.318505190222E+03 0.15708E-03 -0.42980E-04 4311 0.523E-02 0.178E-01 RMM: 6 -0.318504975757E+03 0.21447E-03 -0.12596E-04 3833 0.297E-02 0.439E-02 RMM: 7 -0.318504996763E+03 -0.21006E-04 -0.42582E-05 3114 0.178E-02 0.773E-02 RMM: 8 -0.318504960280E+03 0.36483E-04 -0.33908E-05 2685 0.181E-02 0.320E-02 RMM: 9 -0.318504955999E+03 0.42811E-05 -0.12033E-05 2470 0.102E-02 6010 T= 6642. E= 0.68926113E+03 F= 0.63431316E+03 E0= 0.66319123E+03 EK= 0.54948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318500664775E+03 0.42955E-02 -0.22245E-01 7608 0.252E+01 0.330E-01 RMM: 2 -0.318525491185E+03 -0.24826E-01 -0.13855E-01 4937 0.906E-01 0.144E+00 RMM: 3 -0.318511461808E+03 0.14029E-01 -0.16651E-02 5552 0.273E-01 0.226E-01 RMM: 4 -0.318511524962E+03 -0.63153E-04 -0.18554E-03 5032 0.974E-02 0.291E-01 RMM: 5 -0.318511034727E+03 0.49024E-03 -0.39692E-04 4027 0.488E-02 0.140E-01 RMM: 6 -0.318510916959E+03 0.11777E-03 -0.10827E-04 3720 0.282E-02 0.557E-02 RMM: 7 -0.318510962975E+03 -0.46016E-04 -0.75433E-05 3603 0.225E-02 0.107E-01 RMM: 8 -0.318510889919E+03 0.73055E-04 -0.41663E-05 3102 0.201E-02 0.302E-02 RMM: 9 -0.318510889592E+03 0.32707E-06 -0.14056E-05 2486 0.108E-02 6011 T= 6978. E= 0.69222282E+03 F= 0.63449489E+03 E0= 0.66339774E+03 EK= 0.57728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318569769973E+03 -0.58880E-01 -0.22993E-01 7704 0.255E+01 0.288E-01 RMM: 2 -0.318588276807E+03 -0.18507E-01 -0.14472E-01 4850 0.929E-01 0.988E-01 RMM: 3 -0.318581610484E+03 0.66663E-02 -0.17069E-02 5755 0.257E-01 0.195E-01 RMM: 4 -0.318581748734E+03 -0.13825E-03 -0.14364E-03 4987 0.898E-02 0.307E-01 RMM: 5 -0.318581162239E+03 0.58649E-03 -0.37459E-04 4126 0.490E-02 0.120E-01 RMM: 6 -0.318581078885E+03 0.83354E-04 -0.10585E-04 3706 0.277E-02 0.573E-02 RMM: 7 -0.318581120938E+03 -0.42053E-04 -0.62296E-05 3430 0.215E-02 0.100E-01 RMM: 8 -0.318581056071E+03 0.64867E-04 -0.35533E-05 2964 0.185E-02 0.258E-02 RMM: 9 -0.318581059066E+03 -0.29949E-05 -0.13884E-05 2479 0.106E-02 6012 T= 7114. E= 0.69346710E+03 F= 0.63461193E+03 E0= 0.66354353E+03 EK= 0.58855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318706968889E+03 -0.12591E+00 -0.22787E-01 7620 0.254E+01 0.279E-01 RMM: 2 -0.318725043551E+03 -0.18075E-01 -0.13131E-01 4914 0.878E-01 0.104E+00 RMM: 3 -0.318717636526E+03 0.74070E-02 -0.15075E-02 5676 0.241E-01 0.194E-01 RMM: 4 -0.318717643973E+03 -0.74462E-05 -0.13975E-03 4955 0.901E-02 0.264E-01 RMM: 5 -0.318717248353E+03 0.39562E-03 -0.36111E-04 4023 0.492E-02 0.134E-01 RMM: 6 -0.318717142050E+03 0.10630E-03 -0.10168E-04 3752 0.280E-02 0.583E-02 RMM: 7 -0.318717182051E+03 -0.40001E-04 -0.75018E-05 3538 0.232E-02 0.994E-02 RMM: 8 -0.318717121067E+03 0.60983E-04 -0.41077E-05 3100 0.202E-02 0.329E-02 RMM: 9 -0.318717117552E+03 0.35155E-05 -0.11073E-05 2481 0.951E-03 6013 T= 6987. E= 0.69246685E+03 F= 0.63466585E+03 E0= 0.66362910E+03 EK= 0.57801E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318934842769E+03 -0.21772E+00 -0.21408E-01 7428 0.249E+01 0.249E-01 RMM: 2 -0.318948981718E+03 -0.14139E-01 -0.11365E-01 4867 0.807E-01 0.834E-01 RMM: 3 -0.318943986101E+03 0.49956E-02 -0.12764E-02 5704 0.222E-01 0.174E-01 RMM: 4 -0.318944121214E+03 -0.13511E-03 -0.10934E-03 4897 0.813E-02 0.274E-01 RMM: 5 -0.318943643680E+03 0.47753E-03 -0.33018E-04 4084 0.476E-02 0.102E-01 RMM: 6 -0.318943613283E+03 0.30397E-04 -0.10948E-04 3774 0.281E-02 0.833E-02 RMM: 7 -0.318943633174E+03 -0.19892E-04 -0.60236E-05 3402 0.219E-02 6014 T= 6657. E= 0.68970813E+03 F= 0.63463547E+03 E0= 0.66363178E+03 EK= 0.55073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319281649728E+03 -0.33804E+00 -0.19619E-01 7596 0.243E+01 0.255E-01 RMM: 2 -0.319293675801E+03 -0.12026E-01 -0.97884E-02 4926 0.756E-01 0.790E-01 RMM: 3 -0.319289419180E+03 0.42566E-02 -0.10974E-02 5644 0.209E-01 0.208E-01 RMM: 4 -0.319289400955E+03 0.18225E-04 -0.10371E-03 4791 0.785E-02 0.246E-01 RMM: 5 -0.319289043655E+03 0.35730E-03 -0.37312E-04 4343 0.522E-02 0.119E-01 RMM: 6 -0.319289001941E+03 0.41714E-04 -0.12593E-04 3858 0.300E-02 0.909E-02 RMM: 7 -0.319289022059E+03 -0.20118E-04 -0.78506E-05 3609 0.249E-02 0.106E-01 RMM: 8 -0.319288952894E+03 0.69166E-04 -0.42431E-05 3160 0.204E-02 0.298E-02 RMM: 9 -0.319288954841E+03 -0.19472E-05 -0.11404E-05 2487 0.969E-03 6015 T= 6267. E= 0.68633864E+03 F= 0.63449492E+03 E0= 0.66352365E+03 EK= 0.51844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319757161683E+03 -0.46821E+00 -0.19469E-01 7740 0.236E+01 0.228E-01 RMM: 2 -0.319769979367E+03 -0.12818E-01 -0.10773E-01 4764 0.801E-01 0.763E-01 RMM: 3 -0.319765896273E+03 0.40831E-02 -0.12455E-02 5791 0.216E-01 0.161E-01 RMM: 4 -0.319765923234E+03 -0.26962E-04 -0.10245E-03 4880 0.803E-02 0.241E-01 RMM: 5 -0.319765570232E+03 0.35300E-03 -0.33437E-04 4227 0.497E-02 0.103E-01 RMM: 6 -0.319765532794E+03 0.37438E-04 -0.10655E-04 3779 0.283E-02 0.752E-02 RMM: 7 -0.319765555748E+03 -0.22954E-04 -0.48923E-05 3247 0.201E-02 0.955E-02 RMM: 8 -0.319765497475E+03 0.58273E-04 -0.28852E-05 2870 0.177E-02 0.225E-02 RMM: 9 -0.319765497624E+03 -0.14871E-06 -0.71577E-06 2460 0.758E-03 6016 T= 5955. E= 0.68349437E+03 F= 0.63423244E+03 E0= 0.66329005E+03 EK= 0.49262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320349940346E+03 -0.58444E+00 -0.18347E-01 7800 0.233E+01 0.250E-01 RMM: 2 -0.320360694273E+03 -0.10754E-01 -0.95095E-02 4841 0.744E-01 0.683E-01 RMM: 3 -0.320357482456E+03 0.32118E-02 -0.10810E-02 5792 0.200E-01 0.195E-01 RMM: 4 -0.320357588541E+03 -0.10608E-03 -0.10987E-03 4859 0.847E-02 0.281E-01 RMM: 5 -0.320357114178E+03 0.47436E-03 -0.40046E-04 4360 0.531E-02 0.125E-01 RMM: 6 -0.320357044577E+03 0.69600E-04 -0.12804E-04 3870 0.304E-02 0.784E-02 RMM: 7 -0.320357076328E+03 -0.31751E-04 -0.69551E-05 3539 0.237E-02 0.105E-01 RMM: 8 -0.320357007122E+03 0.69206E-04 -0.36091E-05 3053 0.191E-02 0.293E-02 RMM: 9 -0.320357007193E+03 -0.70577E-07 -0.10694E-05 2477 0.927E-03 6017 T= 5807. E= 0.68190571E+03 F= 0.63386291E+03 E0= 0.66294419E+03 EK= 0.48043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321011836970E+03 -0.65483E+00 -0.18303E-01 7776 0.233E+01 0.272E-01 RMM: 2 -0.321024382569E+03 -0.12546E-01 -0.86130E-02 4947 0.706E-01 0.963E-01 RMM: 3 -0.321018117660E+03 0.62649E-02 -0.96722E-03 5590 0.204E-01 0.177E-01 RMM: 4 -0.321018433258E+03 -0.31560E-03 -0.12343E-03 4760 0.850E-02 0.304E-01 RMM: 5 -0.321017855213E+03 0.57804E-03 -0.38533E-04 4225 0.510E-02 0.110E-01 RMM: 6 -0.321017802134E+03 0.53079E-04 -0.92672E-05 3648 0.261E-02 0.689E-02 RMM: 7 -0.321017829967E+03 -0.27833E-04 -0.61318E-05 3394 0.215E-02 0.945E-02 RMM: 8 -0.321017773724E+03 0.56243E-04 -0.36170E-05 3017 0.195E-02 0.243E-02 RMM: 9 -0.321017775408E+03 -0.16837E-05 -0.91160E-06 2470 0.851E-03 6018 T= 5854. E= 0.68185647E+03 F= 0.63342907E+03 E0= 0.66252746E+03 EK= 0.48427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321670321894E+03 -0.65255E+00 -0.18820E-01 7944 0.237E+01 0.279E-01 RMM: 2 -0.321682581604E+03 -0.12260E-01 -0.96454E-02 4916 0.742E-01 0.856E-01 RMM: 3 -0.321677668240E+03 0.49134E-02 -0.10888E-02 5693 0.206E-01 0.207E-01 RMM: 4 -0.321677922641E+03 -0.25440E-03 -0.13454E-03 4845 0.905E-02 0.319E-01 RMM: 5 -0.321677306606E+03 0.61604E-03 -0.42053E-04 4272 0.530E-02 0.130E-01 RMM: 6 -0.321677206394E+03 0.10021E-03 -0.10602E-04 3776 0.280E-02 0.575E-02 RMM: 7 -0.321677254169E+03 -0.47775E-04 -0.62663E-05 3432 0.215E-02 0.105E-01 RMM: 8 -0.321677184487E+03 0.69682E-04 -0.37188E-05 3032 0.193E-02 0.280E-02 RMM: 9 -0.321677184068E+03 0.41922E-06 -0.11179E-05 2479 0.937E-03 6019 T= 6074. E= 0.68324549E+03 F= 0.63299806E+03 E0= 0.66210550E+03 EK= 0.50247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322239918662E+03 -0.56273E+00 -0.19524E-01 7608 0.242E+01 0.290E-01 RMM: 2 -0.322253287698E+03 -0.13369E-01 -0.10591E-01 4964 0.770E-01 0.891E-01 RMM: 3 -0.322247942943E+03 0.53448E-02 -0.11847E-02 5691 0.214E-01 0.198E-01 RMM: 4 -0.322248338217E+03 -0.39527E-03 -0.14137E-03 4867 0.917E-02 0.345E-01 RMM: 5 -0.322247558471E+03 0.77975E-03 -0.44484E-04 4266 0.539E-02 0.106E-01 RMM: 6 -0.322247501130E+03 0.57341E-04 -0.80033E-05 3552 0.240E-02 0.597E-02 RMM: 7 -0.322247527384E+03 -0.26254E-04 -0.60187E-05 3376 0.205E-02 0.916E-02 RMM: 8 -0.322247474302E+03 0.53082E-04 -0.40619E-05 3065 0.200E-02 0.245E-02 RMM: 9 -0.322247476957E+03 -0.26551E-05 -0.11001E-05 2480 0.932E-03 6020 T= 6399. E= 0.68559350E+03 F= 0.63265486E+03 E0= 0.66176290E+03 EK= 0.52939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322634703797E+03 -0.38723E+00 -0.20494E-01 7680 0.249E+01 0.300E-01 RMM: 2 -0.322649310779E+03 -0.14607E-01 -0.12314E-01 4911 0.843E-01 0.874E-01 RMM: 3 -0.322644317603E+03 0.49932E-02 -0.14056E-02 5816 0.228E-01 0.214E-01 RMM: 4 -0.322644586902E+03 -0.26930E-03 -0.14495E-03 4910 0.928E-02 0.347E-01 RMM: 5 -0.322643824756E+03 0.76215E-03 -0.44921E-04 4328 0.545E-02 0.121E-01 RMM: 6 -0.322643741503E+03 0.83253E-04 -0.97143E-05 3673 0.265E-02 0.567E-02 RMM: 7 -0.322643779595E+03 -0.38093E-04 -0.55873E-05 3318 0.202E-02 0.991E-02 RMM: 8 -0.322643717729E+03 0.61866E-04 -0.39425E-05 3011 0.194E-02 0.306E-02 RMM: 9 -0.322643717058E+03 0.67068E-06 -0.13680E-05 2493 0.105E-02 6021 T= 6718. E= 0.68805712E+03 F= 0.63248335E+03 E0= 0.66158290E+03 EK= 0.55574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322801090448E+03 -0.15737E+00 -0.20846E-01 7704 0.253E+01 0.295E-01 RMM: 2 -0.322817076290E+03 -0.15986E-01 -0.13453E-01 4951 0.870E-01 0.887E-01 RMM: 3 -0.322811786857E+03 0.52894E-02 -0.15110E-02 5879 0.230E-01 0.207E-01 RMM: 4 -0.322812004827E+03 -0.21797E-03 -0.14847E-03 4926 0.943E-02 0.336E-01 RMM: 5 -0.322811269915E+03 0.73491E-03 -0.44330E-04 4251 0.541E-02 0.111E-01 RMM: 6 -0.322811205577E+03 0.64338E-04 -0.88843E-05 3582 0.252E-02 0.609E-02 RMM: 7 -0.322811237632E+03 -0.32055E-04 -0.65165E-05 3441 0.213E-02 0.969E-02 RMM: 8 -0.322811178223E+03 0.59409E-04 -0.41074E-05 3079 0.200E-02 0.252E-02 RMM: 9 -0.322811181070E+03 -0.28473E-05 -0.11212E-05 2483 0.936E-03 6022 T= 6903. E= 0.68964881E+03 F= 0.63253914E+03 E0= 0.66162229E+03 EK= 0.57110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322737302325E+03 0.73876E-01 -0.21369E-01 7584 0.253E+01 0.285E-01 RMM: 2 -0.322755108976E+03 -0.17807E-01 -0.15388E-01 4911 0.912E-01 0.865E-01 RMM: 3 -0.322749823161E+03 0.52858E-02 -0.17088E-02 5959 0.239E-01 0.200E-01 RMM: 4 -0.322749914391E+03 -0.91230E-04 -0.13534E-03 4913 0.901E-02 0.320E-01 RMM: 5 -0.322749294745E+03 0.61965E-03 -0.40356E-04 4225 0.513E-02 0.131E-01 RMM: 6 -0.322749206305E+03 0.88440E-04 -0.12680E-04 3848 0.304E-02 0.675E-02 RMM: 7 -0.322749259360E+03 -0.53054E-04 -0.65471E-05 3460 0.217E-02 0.113E-01 RMM: 8 -0.322749176909E+03 0.82450E-04 -0.39352E-05 3072 0.198E-02 0.295E-02 RMM: 9 -0.322749176098E+03 0.81149E-06 -0.12058E-05 2486 0.981E-03 6023 T= 6877. E= 0.68971509E+03 F= 0.63282534E+03 E0= 0.66188553E+03 EK= 0.56890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322505854714E+03 0.24332E+00 -0.20612E-01 7764 0.250E+01 0.253E-01 RMM: 2 -0.322520200710E+03 -0.14346E-01 -0.13121E-01 4920 0.839E-01 0.707E-01 RMM: 3 -0.322516593125E+03 0.36076E-02 -0.14085E-02 6058 0.217E-01 0.190E-01 RMM: 4 -0.322516630643E+03 -0.37518E-04 -0.11056E-03 4851 0.840E-02 0.288E-01 RMM: 5 -0.322516089282E+03 0.54136E-03 -0.37828E-04 4209 0.516E-02 0.995E-02 RMM: 6 -0.322516084146E+03 0.51361E-05 -0.12032E-04 3835 0.296E-02 6024 T= 6655. E= 0.68834114E+03 F= 0.63328652E+03 E0= 0.66232057E+03 EK= 0.55055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322196540119E+03 0.31955E+00 -0.19972E-01 7752 0.243E+01 0.377E-01 RMM: 2 -0.322227465930E+03 -0.30926E-01 -0.13123E-01 5002 0.853E-01 0.177E+00 RMM: 3 -0.322206359383E+03 0.21107E-01 -0.17349E-02 5398 0.304E-01 0.330E-01 RMM: 4 -0.322205816798E+03 0.54258E-03 -0.19910E-03 5032 0.943E-02 0.206E-01 RMM: 5 -0.322205748598E+03 0.68200E-04 -0.58287E-04 4577 0.622E-02 0.210E-01 RMM: 6 -0.322205509104E+03 0.23949E-03 -0.28295E-04 3916 0.445E-02 0.102E-01 RMM: 7 -0.322205594451E+03 -0.85347E-04 -0.15010E-04 3871 0.331E-02 0.151E-01 RMM: 8 -0.322205459531E+03 0.13492E-03 -0.81019E-05 3632 0.270E-02 0.529E-02 RMM: 9 -0.322205448871E+03 0.10660E-04 -0.18022E-05 2568 0.126E-02 6025 T= 6339. E= 0.68627434E+03 F= 0.63383146E+03 E0= 0.66283879E+03 EK= 0.52443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321902214090E+03 0.30325E+00 -0.18239E-01 7896 0.237E+01 0.352E-01 RMM: 2 -0.321933520714E+03 -0.31307E-01 -0.12138E-01 4892 0.812E-01 0.180E+00 RMM: 3 -0.321911502250E+03 0.22018E-01 -0.16852E-02 5392 0.302E-01 0.335E-01 RMM: 4 -0.321910861665E+03 0.64058E-03 -0.21029E-03 5160 0.987E-02 0.188E-01 RMM: 5 -0.321910887784E+03 -0.26119E-04 -0.48313E-04 4526 0.569E-02 0.213E-01 RMM: 6 -0.321910594394E+03 0.29339E-03 -0.18381E-04 3882 0.364E-02 0.653E-02 RMM: 7 -0.321910647457E+03 -0.53063E-04 -0.10744E-04 3775 0.273E-02 0.110E-01 RMM: 8 -0.321910573121E+03 0.74336E-04 -0.45565E-05 3216 0.213E-02 0.340E-02 RMM: 9 -0.321910567585E+03 0.55364E-05 -0.78681E-06 2480 0.804E-03 6026 T= 6054. E= 0.68445447E+03 F= 0.63436766E+03 E0= 0.66335130E+03 EK= 0.50087E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321685914247E+03 0.22466E+00 -0.17564E-01 7740 0.232E+01 0.296E-01 RMM: 2 -0.321707077672E+03 -0.21163E-01 -0.11836E-01 4848 0.802E-01 0.129E+00 RMM: 3 -0.321695306634E+03 0.11771E-01 -0.13909E-02 5512 0.252E-01 0.245E-01 RMM: 4 -0.321695129912E+03 0.17672E-03 -0.14868E-03 4897 0.871E-02 0.230E-01 RMM: 5 -0.321694922701E+03 0.20721E-03 -0.52241E-04 4575 0.623E-02 0.178E-01 RMM: 6 -0.321694752123E+03 0.17058E-03 -0.18667E-04 3880 0.353E-02 0.847E-02 RMM: 7 -0.321694781966E+03 -0.29843E-04 -0.10638E-04 3842 0.296E-02 0.108E-01 RMM: 8 -0.321694709263E+03 0.72703E-04 -0.44531E-05 3225 0.203E-02 0.332E-02 RMM: 9 -0.321694709734E+03 -0.47057E-06 -0.10990E-05 2489 0.948E-03 6027 T= 5895. E= 0.68360108E+03 F= 0.63483070E+03 E0= 0.66379550E+03 EK= 0.48770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321568591425E+03 0.12612E+00 -0.16990E-01 7884 0.230E+01 0.255E-01 RMM: 2 -0.321582736736E+03 -0.14145E-01 -0.11473E-01 4856 0.777E-01 0.828E-01 RMM: 3 -0.321577766635E+03 0.49701E-02 -0.12675E-02 5747 0.221E-01 0.178E-01 RMM: 4 -0.321577981275E+03 -0.21464E-03 -0.11354E-03 4806 0.806E-02 0.299E-01 RMM: 5 -0.321577423617E+03 0.55766E-03 -0.37650E-04 4279 0.508E-02 0.115E-01 RMM: 6 -0.321577384555E+03 0.39063E-04 -0.14297E-04 3882 0.321E-02 0.890E-02 RMM: 7 -0.321577409176E+03 -0.24622E-04 -0.63960E-05 3451 0.230E-02 0.107E-01 RMM: 8 -0.321577335969E+03 0.73207E-04 -0.32988E-05 2994 0.184E-02 0.263E-02 RMM: 9 -0.321577336963E+03 -0.99445E-06 -0.10282E-05 2473 0.915E-03 6028 T= 5907. E= 0.68406629E+03 F= 0.63519839E+03 E0= 0.66415082E+03 EK= 0.48868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321525681941E+03 0.51654E-01 -0.17467E-01 8088 0.232E+01 0.253E-01 RMM: 2 -0.321539020225E+03 -0.13338E-01 -0.11697E-01 4871 0.777E-01 0.718E-01 RMM: 3 -0.321535070031E+03 0.39502E-02 -0.12351E-02 5789 0.214E-01 0.182E-01 RMM: 4 -0.321535350190E+03 -0.28016E-03 -0.11650E-03 4834 0.835E-02 0.323E-01 RMM: 5 -0.321534683663E+03 0.66653E-03 -0.41993E-04 4359 0.540E-02 0.102E-01 RMM: 6 -0.321534663881E+03 0.19781E-04 -0.11997E-04 3811 0.286E-02 6029 T= 6086. E= 0.68583654E+03 F= 0.63549118E+03 E0= 0.66443744E+03 EK= 0.50345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321504502416E+03 0.30181E-01 -0.16991E-01 7836 0.237E+01 0.393E-01 RMM: 2 -0.321535424212E+03 -0.30922E-01 -0.11839E-01 4879 0.801E-01 0.179E+00 RMM: 3 -0.321513120382E+03 0.22304E-01 -0.17089E-02 5382 0.304E-01 0.342E-01 RMM: 4 -0.321512702168E+03 0.41821E-03 -0.23859E-03 5193 0.106E-01 0.264E-01 RMM: 5 -0.321512611135E+03 0.91033E-04 -0.60343E-04 4532 0.597E-02 0.256E-01 RMM: 6 -0.321512197342E+03 0.41379E-03 -0.29525E-04 3889 0.454E-02 0.881E-02 RMM: 7 -0.321512251591E+03 -0.54249E-04 -0.12819E-04 3870 0.298E-02 0.127E-01 RMM: 8 -0.321512168254E+03 0.83336E-04 -0.61648E-05 3439 0.231E-02 0.590E-02 RMM: 9 -0.321512149307E+03 0.18947E-04 -0.18382E-05 2583 0.130E-02 6030 T= 6379. E= 0.68852860E+03 F= 0.63576092E+03 E0= 0.66470817E+03 EK= 0.52768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321439592638E+03 0.72576E-01 -0.17729E-01 7872 0.243E+01 0.400E-01 RMM: 2 -0.321475906976E+03 -0.36314E-01 -0.12225E-01 4862 0.827E-01 0.202E+00 RMM: 3 -0.321448390869E+03 0.27516E-01 -0.18461E-02 5386 0.322E-01 0.357E-01 RMM: 4 -0.321447787801E+03 0.60307E-03 -0.26360E-03 5239 0.111E-01 0.240E-01 RMM: 5 -0.321447778392E+03 0.94092E-05 -0.49512E-04 4344 0.527E-02 0.246E-01 RMM: 6 -0.321447371079E+03 0.40731E-03 -0.21250E-04 3880 0.392E-02 0.580E-02 RMM: 7 -0.321447385784E+03 -0.14706E-04 -0.63737E-05 3414 0.217E-02 6031 T= 6688. E= 0.69139322E+03 F= 0.63606894E+03 E0= 0.66502188E+03 EK= 0.55324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321290793927E+03 0.15658E+00 -0.18635E-01 7752 0.247E+01 0.330E-01 RMM: 2 -0.321311072046E+03 -0.20278E-01 -0.12299E-01 4935 0.819E-01 0.125E+00 RMM: 3 -0.321300248709E+03 0.10823E-01 -0.14929E-02 5469 0.264E-01 0.267E-01 RMM: 4 -0.321300186770E+03 0.61939E-04 -0.17542E-03 4970 0.935E-02 0.277E-01 RMM: 5 -0.321299845502E+03 0.34127E-03 -0.45041E-04 4358 0.529E-02 0.190E-01 RMM: 6 -0.321299618736E+03 0.22677E-03 -0.19583E-04 3881 0.370E-02 0.726E-02 RMM: 7 -0.321299708354E+03 -0.89618E-04 -0.11715E-04 3842 0.285E-02 0.137E-01 RMM: 8 -0.321299597838E+03 0.11052E-03 -0.56458E-05 3379 0.228E-02 0.537E-02 RMM: 9 -0.321299581625E+03 0.16212E-04 -0.17007E-05 2534 0.122E-02 6032 T= 6893. E= 0.69348392E+03 F= 0.63645697E+03 E0= 0.66542018E+03 EK= 0.57027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321064367351E+03 0.23523E+00 -0.19344E-01 7740 0.248E+01 0.306E-01 RMM: 2 -0.321085856782E+03 -0.21489E-01 -0.13495E-01 4854 0.866E-01 0.126E+00 RMM: 3 -0.321075055031E+03 0.10802E-01 -0.15782E-02 5623 0.256E-01 0.207E-01 RMM: 4 -0.321075174795E+03 -0.11976E-03 -0.15601E-03 4995 0.914E-02 0.304E-01 RMM: 5 -0.321074623770E+03 0.55102E-03 -0.42736E-04 4404 0.530E-02 0.131E-01 RMM: 6 -0.321074548352E+03 0.75418E-04 -0.15328E-04 3876 0.327E-02 0.823E-02 RMM: 7 -0.321074599766E+03 -0.51414E-04 -0.85139E-05 3687 0.251E-02 0.120E-01 RMM: 8 -0.321074507485E+03 0.92281E-04 -0.45532E-05 3200 0.207E-02 0.308E-02 RMM: 9 -0.321074505221E+03 0.22641E-05 -0.10409E-05 2483 0.905E-03 6033 T= 6909. E= 0.69407649E+03 F= 0.63692180E+03 E0= 0.66589716E+03 EK= 0.57155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320816049131E+03 0.25846E+00 -0.19294E-01 7596 0.246E+01 0.278E-01 RMM: 2 -0.320832967546E+03 -0.16918E-01 -0.12808E-01 4828 0.847E-01 0.954E-01 RMM: 3 -0.320826537573E+03 0.64300E-02 -0.15073E-02 5657 0.245E-01 0.232E-01 RMM: 4 -0.320826414274E+03 0.12330E-03 -0.13986E-03 5003 0.882E-02 0.253E-01 RMM: 5 -0.320826049327E+03 0.36495E-03 -0.45134E-04 4438 0.557E-02 0.136E-01 RMM: 6 -0.320825980679E+03 0.68648E-04 -0.15378E-04 3876 0.324E-02 0.948E-02 RMM: 7 -0.320826015872E+03 -0.35193E-04 -0.94606E-05 3741 0.267E-02 0.119E-01 RMM: 8 -0.320825929032E+03 0.86840E-04 -0.48819E-05 3241 0.215E-02 0.364E-02 RMM: 9 -0.320825925493E+03 0.35390E-05 -0.11696E-05 2498 0.987E-03 6034 T= 6731. E= 0.69309925E+03 F= 0.63741293E+03 E0= 0.66640149E+03 EK= 0.55686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320624755428E+03 0.20117E+00 -0.19453E-01 7764 0.241E+01 0.293E-01 RMM: 2 -0.320645878596E+03 -0.21123E-01 -0.13134E-01 4788 0.871E-01 0.125E+00 RMM: 3 -0.320635277405E+03 0.10601E-01 -0.15484E-02 5633 0.252E-01 0.197E-01 RMM: 4 -0.320635320664E+03 -0.43259E-04 -0.14898E-03 5024 0.913E-02 0.275E-01 RMM: 5 -0.320634922810E+03 0.39785E-03 -0.47654E-04 4521 0.570E-02 0.153E-01 RMM: 6 -0.320634822640E+03 0.10017E-03 -0.18519E-04 3882 0.352E-02 0.936E-02 RMM: 7 -0.320634849321E+03 -0.26680E-04 -0.88516E-05 3699 0.271E-02 0.111E-01 RMM: 8 -0.320634769445E+03 0.79876E-04 -0.39556E-05 3149 0.193E-02 0.271E-02 RMM: 9 -0.320634773750E+03 -0.43046E-05 -0.11251E-05 2489 0.950E-03 6035 T= 6444. E= 0.69115840E+03 F= 0.63785229E+03 E0= 0.66685323E+03 EK= 0.53306E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320559874227E+03 0.74895E-01 -0.18735E-01 7656 0.235E+01 0.247E-01 RMM: 2 -0.320573957521E+03 -0.14083E-01 -0.12608E-01 4786 0.831E-01 0.693E-01 RMM: 3 -0.320570312873E+03 0.36446E-02 -0.14228E-02 5822 0.223E-01 0.205E-01 RMM: 4 -0.320570265087E+03 0.47785E-04 -0.12067E-03 4966 0.874E-02 0.265E-01 RMM: 5 -0.320569856268E+03 0.40882E-03 -0.47782E-04 4544 0.589E-02 0.131E-01 RMM: 6 -0.320569799815E+03 0.56453E-04 -0.15043E-04 3873 0.321E-02 0.953E-02 RMM: 7 -0.320569809494E+03 -0.96788E-05 -0.78253E-05 3603 0.263E-02 6036 T= 6162. E= 0.68914869E+03 F= 0.63817256E+03 E0= 0.66718466E+03 EK= 0.50976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320660566140E+03 -0.90766E-01 -0.17017E-01 7656 0.231E+01 0.300E-01 RMM: 2 -0.320672531741E+03 -0.11966E-01 -0.10330E-01 4895 0.745E-01 0.776E-01 RMM: 3 -0.320668456556E+03 0.40752E-02 -0.11582E-02 5709 0.213E-01 0.254E-01 RMM: 4 -0.320668542641E+03 -0.86084E-04 -0.13865E-03 4901 0.907E-02 0.320E-01 RMM: 5 -0.320667911373E+03 0.63127E-03 -0.59904E-04 4569 0.653E-02 0.131E-01 RMM: 6 -0.320667874961E+03 0.36411E-04 -0.18308E-04 3893 0.350E-02 0.112E-01 RMM: 7 -0.320667890993E+03 -0.16031E-04 -0.10564E-04 3843 0.295E-02 6037 T= 5982. E= 0.68782467E+03 F= 0.63833643E+03 E0= 0.66735876E+03 EK= 0.49488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320924484843E+03 -0.25661E+00 -0.17450E-01 8136 0.230E+01 0.286E-01 RMM: 2 -0.320937453942E+03 -0.12969E-01 -0.11051E-01 4830 0.764E-01 0.790E-01 RMM: 3 -0.320932942365E+03 0.45116E-02 -0.12695E-02 5621 0.230E-01 0.210E-01 RMM: 4 -0.320933261514E+03 -0.31915E-03 -0.14308E-03 4954 0.906E-02 0.332E-01 RMM: 5 -0.320932663254E+03 0.59826E-03 -0.44814E-04 4406 0.539E-02 0.163E-01 RMM: 6 -0.320932502267E+03 0.16099E-03 -0.16683E-04 3886 0.341E-02 0.647E-02 RMM: 7 -0.320932554011E+03 -0.51744E-04 -0.80725E-05 3600 0.251E-02 0.108E-01 RMM: 8 -0.320932488256E+03 0.65755E-04 -0.34693E-05 3017 0.189E-02 0.391E-02 RMM: 9 -0.320932483200E+03 0.50564E-05 -0.12324E-05 2486 0.100E-02 6038 T= 5955. E= 0.68760384E+03 F= 0.63833825E+03 E0= 0.66736926E+03 EK= 0.49266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321333947732E+03 -0.40146E+00 -0.18389E-01 8352 0.232E+01 0.275E-01 RMM: 2 -0.321347052629E+03 -0.13105E-01 -0.11799E-01 5001 0.769E-01 0.737E-01 RMM: 3 -0.321343057433E+03 0.39952E-02 -0.12262E-02 5674 0.218E-01 0.204E-01 RMM: 4 -0.321343600861E+03 -0.54343E-03 -0.12447E-03 4855 0.829E-02 0.378E-01 RMM: 5 -0.321342652153E+03 0.94871E-03 -0.44502E-04 4409 0.548E-02 0.890E-02 RMM: 6 -0.321342617288E+03 0.34866E-04 -0.95590E-05 3694 0.253E-02 0.638E-02 RMM: 7 -0.321342627471E+03 -0.10184E-04 -0.43591E-05 3110 0.190E-02 6039 T= 6086. E= 0.68854424E+03 F= 0.63819598E+03 E0= 0.66723350E+03 EK= 0.50348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321852542355E+03 -0.50993E+00 -0.19450E-01 8664 0.236E+01 0.332E-01 RMM: 2 -0.321866574183E+03 -0.14032E-01 -0.11695E-01 5057 0.771E-01 0.890E-01 RMM: 3 -0.321860969863E+03 0.56043E-02 -0.12273E-02 5646 0.228E-01 0.246E-01 RMM: 4 -0.321861562317E+03 -0.59245E-03 -0.16403E-03 4890 0.951E-02 0.410E-01 RMM: 5 -0.321860537408E+03 0.10249E-02 -0.56629E-04 4526 0.605E-02 0.157E-01 RMM: 6 -0.321860399434E+03 0.13797E-03 -0.15674E-04 3875 0.319E-02 0.719E-02 RMM: 7 -0.321860452102E+03 -0.52668E-04 -0.88454E-05 3738 0.249E-02 0.115E-01 RMM: 8 -0.321860370312E+03 0.81790E-04 -0.39186E-05 3091 0.191E-02 0.340E-02 RMM: 9 -0.321860373938E+03 -0.36258E-05 -0.17409E-05 2519 0.118E-02 6040 T= 6335. E= 0.69035318E+03 F= 0.63794482E+03 E0= 0.66698734E+03 EK= 0.52408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322432547706E+03 -0.57218E+00 -0.20990E-01 8328 0.242E+01 0.287E-01 RMM: 2 -0.322447188340E+03 -0.14641E-01 -0.14616E-01 4936 0.839E-01 0.618E-01 RMM: 3 -0.322444034347E+03 0.31540E-02 -0.14594E-02 5903 0.229E-01 0.242E-01 RMM: 4 -0.322444286138E+03 -0.25179E-03 -0.12091E-03 4863 0.825E-02 0.365E-01 RMM: 5 -0.322443413773E+03 0.87236E-03 -0.44431E-04 4412 0.543E-02 0.901E-02 RMM: 6 -0.322443379898E+03 0.33875E-04 -0.96463E-05 3678 0.254E-02 0.649E-02 RMM: 7 -0.322443383000E+03 -0.31022E-05 -0.44411E-05 3107 0.187E-02 6041 T= 6621. E= 0.69239768E+03 F= 0.63762579E+03 E0= 0.66667178E+03 EK= 0.54772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323047410787E+03 -0.60403E+00 -0.21725E-01 8580 0.247E+01 0.319E-01 RMM: 2 -0.323064591679E+03 -0.17181E-01 -0.15413E-01 5049 0.863E-01 0.833E-01 RMM: 3 -0.323059479236E+03 0.51124E-02 -0.16070E-02 6006 0.231E-01 0.249E-01 RMM: 4 -0.323059720079E+03 -0.24084E-03 -0.16663E-03 4961 0.992E-02 0.381E-01 RMM: 5 -0.323058752748E+03 0.96733E-03 -0.56735E-04 4486 0.605E-02 0.107E-01 RMM: 6 -0.323058726831E+03 0.25917E-04 -0.12224E-04 3844 0.280E-02 0.939E-02 RMM: 7 -0.323058747905E+03 -0.21074E-04 -0.94039E-05 3784 0.249E-02 0.114E-01 RMM: 8 -0.323058667883E+03 0.80022E-04 -0.51969E-05 3295 0.211E-02 0.325E-02 RMM: 9 -0.323058671857E+03 -0.39743E-05 -0.15044E-05 2513 0.111E-02 6042 T= 6837. E= 0.69383343E+03 F= 0.63727243E+03 E0= 0.66632131E+03 EK= 0.56561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323683250501E+03 -0.62458E+00 -0.23499E-01 8232 0.250E+01 0.286E-01 RMM: 2 -0.323702071836E+03 -0.18821E-01 -0.17516E-01 4999 0.916E-01 0.758E-01 RMM: 3 -0.323697296833E+03 0.47750E-02 -0.17088E-02 5967 0.242E-01 0.217E-01 RMM: 4 -0.323697568832E+03 -0.27200E-03 -0.14484E-03 5023 0.927E-02 0.363E-01 RMM: 5 -0.323696697201E+03 0.87163E-03 -0.49376E-04 4456 0.571E-02 0.109E-01 RMM: 6 -0.323696654703E+03 0.42498E-04 -0.13691E-04 3872 0.301E-02 0.828E-02 RMM: 7 -0.323696681740E+03 -0.27037E-04 -0.73033E-05 3567 0.230E-02 0.108E-01 RMM: 8 -0.323696606970E+03 0.74770E-04 -0.38224E-05 3097 0.187E-02 0.266E-02 RMM: 9 -0.323696608004E+03 -0.10336E-05 -0.11078E-05 2481 0.924E-03 6043 T= 6895. E= 0.69394005E+03 F= 0.63689670E+03 E0= 0.66594867E+03 EK= 0.57043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324371809694E+03 -0.67520E+00 -0.22369E-01 8580 0.249E+01 0.299E-01 RMM: 2 -0.324389792951E+03 -0.17983E-01 -0.14342E-01 5132 0.830E-01 0.956E-01 RMM: 3 -0.324382705546E+03 0.70874E-02 -0.13617E-02 5943 0.224E-01 0.201E-01 RMM: 4 -0.324382916320E+03 -0.21077E-03 -0.14322E-03 4856 0.926E-02 0.336E-01 RMM: 5 -0.324382222643E+03 0.69368E-03 -0.51764E-04 4510 0.593E-02 0.136E-01 RMM: 6 -0.324382159827E+03 0.62816E-04 -0.17012E-04 3882 0.331E-02 0.103E-01 RMM: 7 -0.324382183824E+03 -0.23997E-04 -0.10012E-04 3806 0.274E-02 0.121E-01 RMM: 8 -0.324382089280E+03 0.94544E-04 -0.45508E-05 3227 0.202E-02 0.299E-02 RMM: 9 -0.324382091600E+03 -0.23198E-05 -0.12687E-05 2494 0.991E-03 6044 T= 6774. E= 0.69251898E+03 F= 0.63647702E+03 E0= 0.66553403E+03 EK= 0.56042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325164311298E+03 -0.78222E+00 -0.22724E-01 8280 0.246E+01 0.310E-01 RMM: 2 -0.325185703060E+03 -0.21392E-01 -0.15468E-01 5019 0.891E-01 0.114E+00 RMM: 3 -0.325176486214E+03 0.92168E-02 -0.16319E-02 5775 0.252E-01 0.228E-01 RMM: 4 -0.325176410473E+03 0.75741E-04 -0.15599E-03 4967 0.931E-02 0.287E-01 RMM: 5 -0.325175944906E+03 0.46557E-03 -0.52431E-04 4535 0.598E-02 0.157E-01 RMM: 6 -0.325175855522E+03 0.89385E-04 -0.21838E-04 3880 0.382E-02 0.112E-01 RMM: 7 -0.325175902616E+03 -0.47095E-04 -0.12883E-04 3877 0.311E-02 0.141E-01 RMM: 8 -0.325175777023E+03 0.12559E-03 -0.64685E-05 3438 0.235E-02 0.362E-02 RMM: 9 -0.325175775748E+03 0.12748E-05 -0.12995E-05 2505 0.102E-02 6045 T= 6533. E= 0.69000468E+03 F= 0.63595597E+03 E0= 0.66502103E+03 EK= 0.54049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326144893338E+03 -0.96912E+00 -0.21371E-01 8160 0.241E+01 0.291E-01 RMM: 2 -0.326163120552E+03 -0.18227E-01 -0.13533E-01 5092 0.830E-01 0.102E+00 RMM: 3 -0.326155378172E+03 0.77424E-02 -0.13318E-02 5738 0.227E-01 0.213E-01 RMM: 4 -0.326155437011E+03 -0.58839E-04 -0.13845E-03 4861 0.906E-02 0.303E-01 RMM: 5 -0.326154864961E+03 0.57205E-03 -0.57138E-04 4596 0.644E-02 0.133E-01 RMM: 6 -0.326154883483E+03 -0.18523E-04 -0.22972E-04 3888 0.382E-02 0.146E-01 RMM: 7 -0.326154832596E+03 0.50888E-04 -0.11527E-04 3869 0.314E-02 0.117E-01 RMM: 8 -0.326154744293E+03 0.88303E-04 -0.44590E-05 3227 0.198E-02 0.315E-02 RMM: 9 -0.326154750095E+03 -0.58021E-05 -0.14164E-05 2509 0.106E-02 6046 T= 6276. E= 0.68717882E+03 F= 0.63525854E+03 E0= 0.66433558E+03 EK= 0.51920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327378299320E+03 -0.12236E+01 -0.20226E-01 8208 0.236E+01 0.308E-01 RMM: 2 -0.327397231200E+03 -0.18932E-01 -0.13041E-01 5105 0.815E-01 0.112E+00 RMM: 3 -0.327388240361E+03 0.89908E-02 -0.13479E-02 5643 0.228E-01 0.232E-01 RMM: 4 -0.327388206569E+03 0.33792E-04 -0.14945E-03 4843 0.921E-02 0.287E-01 RMM: 5 -0.327387771151E+03 0.43542E-03 -0.56981E-04 4577 0.639E-02 0.171E-01 RMM: 6 -0.327387649910E+03 0.12124E-03 -0.22927E-04 3881 0.392E-02 0.110E-01 RMM: 7 -0.327387674658E+03 -0.24748E-04 -0.12320E-04 3868 0.318E-02 0.126E-01 RMM: 8 -0.327387573194E+03 0.10146E-03 -0.54178E-05 3341 0.219E-02 0.322E-02 RMM: 9 -0.327387575701E+03 -0.25070E-05 -0.13434E-05 2506 0.105E-02 6047 T= 6098. E= 0.68476431E+03 F= 0.63431649E+03 E0= 0.66340946E+03 EK= 0.50448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328903454027E+03 -0.15159E+01 -0.18392E-01 7824 0.234E+01 0.302E-01 RMM: 2 -0.328916464181E+03 -0.13010E-01 -0.10233E-01 5075 0.728E-01 0.892E-01 RMM: 3 -0.328910877016E+03 0.55872E-02 -0.10549E-02 5645 0.200E-01 0.210E-01 RMM: 4 -0.328911268478E+03 -0.39146E-03 -0.14696E-03 4817 0.949E-02 0.365E-01 RMM: 5 -0.328910398580E+03 0.86990E-03 -0.63425E-04 4588 0.671E-02 0.109E-01 RMM: 6 -0.328910435263E+03 -0.36683E-04 -0.19709E-04 3884 0.356E-02 0.135E-01 RMM: 7 -0.328910383485E+03 0.51777E-04 -0.85573E-05 3657 0.276E-02 0.103E-01 RMM: 8 -0.328910317228E+03 0.66257E-04 -0.33815E-05 3035 0.176E-02 0.288E-02 RMM: 9 -0.328910322004E+03 -0.47760E-05 -0.12430E-05 2480 0.997E-03 6048 T= 6055. E= 0.68318594E+03 F= 0.63309230E+03 E0= 0.66220469E+03 EK= 0.50094E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330707239773E+03 -0.17969E+01 -0.17619E-01 7956 0.234E+01 0.318E-01 RMM: 2 -0.330718069977E+03 -0.10830E-01 -0.75167E-02 5125 0.639E-01 0.945E-01 RMM: 3 -0.330712000090E+03 0.60699E-02 -0.80474E-03 5511 0.188E-01 0.208E-01 RMM: 4 -0.330712684656E+03 -0.68457E-03 -0.15782E-03 4796 0.982E-02 0.399E-01 RMM: 5 -0.330711703583E+03 0.98107E-03 -0.57383E-04 4514 0.623E-02 0.149E-01 RMM: 6 -0.330711593300E+03 0.11028E-03 -0.16467E-04 3880 0.330E-02 0.826E-02 RMM: 7 -0.330711624955E+03 -0.31655E-04 -0.86398E-05 3648 0.263E-02 0.109E-01 RMM: 8 -0.330711549643E+03 0.75312E-04 -0.42562E-05 3188 0.201E-02 0.261E-02 RMM: 9 -0.330711553491E+03 -0.38483E-05 -0.11707E-05 2485 0.969E-03 6049 T= 6155. E= 0.68251728E+03 F= 0.63159490E+03 E0= 0.66072933E+03 EK= 0.50922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332724734419E+03 -0.20132E+01 -0.17895E-01 8220 0.237E+01 0.323E-01 RMM: 2 -0.332733250413E+03 -0.85160E-02 -0.77692E-02 5088 0.650E-01 0.727E-01 RMM: 3 -0.332729768791E+03 0.34816E-02 -0.81842E-03 5514 0.185E-01 0.258E-01 RMM: 4 -0.332730544943E+03 -0.77615E-03 -0.15552E-03 4829 0.973E-02 0.445E-01 RMM: 5 -0.332729234001E+03 0.13109E-02 -0.67732E-04 4561 0.677E-02 0.923E-02 RMM: 6 -0.332729217038E+03 0.16964E-04 -0.10612E-04 3721 0.256E-02 6050 T= 6360. E= 0.68249864E+03 F= 0.62988393E+03 E0= 0.65904149E+03 EK= 0.52615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334852916328E+03 -0.21237E+01 -0.19045E-01 8088 0.241E+01 0.421E-01 RMM: 2 -0.334875319398E+03 -0.22403E-01 -0.10080E-01 5119 0.733E-01 0.155E+00 RMM: 3 -0.334858904259E+03 0.16415E-01 -0.13349E-02 5374 0.267E-01 0.284E-01 RMM: 4 -0.334859859063E+03 -0.95480E-03 -0.25855E-03 5097 0.116E-01 0.483E-01 RMM: 5 -0.334858432080E+03 0.14270E-02 -0.77234E-04 4598 0.706E-02 0.171E-01 RMM: 6 -0.334858268940E+03 0.16314E-03 -0.20072E-04 3884 0.365E-02 0.843E-02 RMM: 7 -0.334858331338E+03 -0.62398E-04 -0.10295E-04 3764 0.271E-02 0.127E-01 RMM: 8 -0.334858234968E+03 0.96369E-04 -0.60179E-05 3413 0.227E-02 0.480E-02 RMM: 9 -0.334858226732E+03 0.82360E-05 -0.17153E-05 2541 0.121E-02 6051 T= 6591. E= 0.68258645E+03 F= 0.62806320E+03 E0= 0.65724392E+03 EK= 0.54523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336964964801E+03 -0.21067E+01 -0.19233E-01 8580 0.244E+01 0.394E-01 RMM: 2 -0.336984097219E+03 -0.19132E-01 -0.91833E-02 5234 0.696E-01 0.142E+00 RMM: 3 -0.336970366275E+03 0.13731E-01 -0.11432E-02 5364 0.250E-01 0.329E-01 RMM: 4 -0.336970837920E+03 -0.47164E-03 -0.25573E-03 5114 0.118E-01 0.429E-01 RMM: 5 -0.336969770766E+03 0.10672E-02 -0.74363E-04 4603 0.732E-02 0.178E-01 RMM: 6 -0.336969556318E+03 0.21445E-03 -0.13549E-04 3866 0.298E-02 0.480E-02 RMM: 7 -0.336969589740E+03 -0.33422E-04 -0.62950E-05 3420 0.209E-02 0.913E-02 RMM: 8 -0.336969538413E+03 0.51326E-04 -0.38449E-05 3032 0.196E-02 0.303E-02 RMM: 9 -0.336969539750E+03 -0.13362E-05 -0.12266E-05 2496 0.990E-03 6052 T= 6751. E= 0.68211144E+03 F= 0.62626226E+03 E0= 0.65546456E+03 EK= 0.55849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338934023178E+03 -0.19645E+01 -0.20049E-01 8628 0.245E+01 0.383E-01 RMM: 2 -0.338950279299E+03 -0.16256E-01 -0.11415E-01 5164 0.747E-01 0.113E+00 RMM: 3 -0.338941428492E+03 0.88508E-02 -0.11533E-02 5469 0.232E-01 0.280E-01 RMM: 4 -0.338942390810E+03 -0.96232E-03 -0.23302E-03 5046 0.115E-01 0.483E-01 RMM: 5 -0.338940925908E+03 0.14649E-02 -0.79725E-04 4610 0.740E-02 0.157E-01 RMM: 6 -0.338940776119E+03 0.14979E-03 -0.15884E-04 3884 0.320E-02 0.754E-02 RMM: 7 -0.338940825381E+03 -0.49262E-04 -0.10136E-04 3798 0.266E-02 0.118E-01 RMM: 8 -0.338940737549E+03 0.87832E-04 -0.58557E-05 3387 0.225E-02 0.368E-02 RMM: 9 -0.338940739128E+03 -0.15783E-05 -0.15968E-05 2533 0.115E-02 6053 T= 6767. E= 0.68058377E+03 F= 0.62460568E+03 E0= 0.65382706E+03 EK= 0.55978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340678547598E+03 -0.17378E+01 -0.19431E-01 8952 0.244E+01 0.356E-01 RMM: 2 -0.340690171116E+03 -0.11624E-01 -0.98010E-02 5316 0.666E-01 0.864E-01 RMM: 3 -0.340684526863E+03 0.56443E-02 -0.82878E-03 5416 0.200E-01 0.274E-01 RMM: 4 -0.340685531336E+03 -0.10045E-02 -0.18216E-03 4831 0.103E-01 0.484E-01 RMM: 5 -0.340684023419E+03 0.15079E-02 -0.72563E-04 4586 0.709E-02 0.127E-01 RMM: 6 -0.340683949922E+03 0.73497E-04 -0.14146E-04 3870 0.299E-02 0.801E-02 RMM: 7 -0.340683985385E+03 -0.35463E-04 -0.70764E-05 3533 0.228E-02 0.111E-01 RMM: 8 -0.340683907833E+03 0.77552E-04 -0.43061E-05 3161 0.202E-02 0.241E-02 RMM: 9 -0.340683923348E+03 -0.15515E-04 -0.16250E-05 2525 0.112E-02 6054 T= 6625. E= 0.67799227E+03 F= 0.62318432E+03 E0= 0.65242192E+03 EK= 0.54808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342153364317E+03 -0.14695E+01 -0.19254E-01 8880 0.240E+01 0.335E-01 RMM: 2 -0.342163628443E+03 -0.10264E-01 -0.10329E-01 5218 0.680E-01 0.666E-01 RMM: 3 -0.342160117726E+03 0.35107E-02 -0.86045E-03 5597 0.193E-01 0.281E-01 RMM: 4 -0.342160812290E+03 -0.69456E-03 -0.16952E-03 4841 0.101E-01 0.450E-01 RMM: 5 -0.342159500147E+03 0.13121E-02 -0.79303E-04 4603 0.745E-02 0.113E-01 RMM: 6 -0.342159476760E+03 0.23387E-04 -0.15055E-04 3880 0.312E-02 0.104E-01 RMM: 7 -0.342159459715E+03 0.17046E-04 -0.69745E-05 3570 0.248E-02 6055 T= 6382. E= 0.67483754E+03 F= 0.62204039E+03 E0= 0.65129173E+03 EK= 0.52797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343361143735E+03 -0.12017E+01 -0.18402E-01 8724 0.235E+01 0.348E-01 RMM: 2 -0.343370990348E+03 -0.98466E-02 -0.99518E-02 5323 0.652E-01 0.659E-01 RMM: 3 -0.343367465160E+03 0.35252E-02 -0.80266E-03 5504 0.188E-01 0.299E-01 RMM: 4 -0.343368271662E+03 -0.80650E-03 -0.18726E-03 4904 0.109E-01 0.473E-01 RMM: 5 -0.343366806667E+03 0.14650E-02 -0.89364E-04 4603 0.793E-02 0.126E-01 RMM: 6 -0.343366806973E+03 -0.30569E-06 -0.22219E-04 3888 0.379E-02 0.131E-01 RMM: 7 -0.343366769348E+03 0.37625E-04 -0.10828E-04 3882 0.313E-02 0.109E-01 RMM: 8 -0.343366698082E+03 0.71266E-04 -0.40760E-05 3169 0.191E-02 0.346E-02 RMM: 9 -0.343366716806E+03 -0.18724E-04 -0.21627E-05 2600 0.132E-02 6056 T= 6128. E= 0.67186675E+03 F= 0.62117553E+03 E0= 0.65043760E+03 EK= 0.50691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344318292025E+03 -0.95159E+00 -0.18145E-01 8844 0.231E+01 0.308E-01 RMM: 2 -0.344329077160E+03 -0.10785E-01 -0.97744E-02 5279 0.643E-01 0.736E-01 RMM: 3 -0.344324523692E+03 0.45535E-02 -0.77746E-03 5626 0.184E-01 0.220E-01 RMM: 4 -0.344325277138E+03 -0.75345E-03 -0.15360E-03 4697 0.972E-02 0.425E-01 RMM: 5 -0.344324147911E+03 0.11292E-02 -0.70470E-04 4603 0.714E-02 0.128E-01 RMM: 6 -0.344324090424E+03 0.57486E-04 -0.18536E-04 3892 0.350E-02 0.948E-02 RMM: 7 -0.344324101079E+03 -0.10655E-04 -0.70658E-05 3563 0.257E-02 6057 T= 5944. E= 0.66974618E+03 F= 0.62057007E+03 E0= 0.64984079E+03 EK= 0.49176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345044041075E+03 -0.71995E+00 -0.18137E-01 8928 0.229E+01 0.370E-01 RMM: 2 -0.345053449799E+03 -0.94087E-02 -0.98025E-02 5353 0.641E-01 0.657E-01 RMM: 3 -0.345050013566E+03 0.34362E-02 -0.73811E-03 5530 0.184E-01 0.330E-01 RMM: 4 -0.345050934519E+03 -0.92095E-03 -0.19250E-03 4922 0.110E-01 0.514E-01 RMM: 5 -0.345049181591E+03 0.17529E-02 -0.10113E-03 4601 0.843E-02 0.118E-01 RMM: 6 -0.345049224281E+03 -0.42690E-04 -0.21545E-04 3885 0.374E-02 0.146E-01 RMM: 7 -0.345049131302E+03 0.92979E-04 -0.11205E-04 3884 0.319E-02 0.930E-02 RMM: 8 -0.345049081080E+03 0.50222E-04 -0.41172E-05 3160 0.189E-02 0.343E-02 RMM: 9 -0.345049103089E+03 -0.22009E-04 -0.21351E-05 2574 0.132E-02 0.587E-02 RMM: 10 -0.345049087054E+03 0.16035E-04 -0.14069E-05 2505 0.121E-02 6058 T= 5884. E= 0.66888369E+03 F= 0.62020306E+03 E0= 0.64947881E+03 EK= 0.48681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345538318524E+03 -0.48922E+00 -0.18573E-01 8784 0.229E+01 0.298E-01 RMM: 2 -0.345548395759E+03 -0.10077E-01 -0.10960E-01 5235 0.679E-01 0.496E-01 RMM: 3 -0.345545982420E+03 0.24133E-02 -0.85304E-03 5735 0.184E-01 0.269E-01 RMM: 4 -0.345546418048E+03 -0.43563E-03 -0.12679E-03 4707 0.880E-02 0.404E-01 RMM: 5 -0.345545385908E+03 0.10321E-02 -0.59261E-04 4593 0.643E-02 0.114E-01 RMM: 6 -0.345545344102E+03 0.41806E-04 -0.15228E-04 3881 0.316E-02 0.864E-02 RMM: 7 -0.345545319861E+03 0.24241E-04 -0.47276E-05 3253 0.220E-02 0.640E-02 RMM: 8 -0.345545295367E+03 0.24494E-04 -0.14775E-05 2535 0.121E-02 0.217E-02 RMM: 9 -0.345545301491E+03 -0.61246E-05 -0.86206E-06 2457 0.822E-03 6059 T= 5963. E= 0.66939649E+03 F= 0.62006610E+03 E0= 0.64934398E+03 EK= 0.49330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345793090700E+03 -0.24780E+00 -0.19159E-01 9048 0.232E+01 0.350E-01 RMM: 2 -0.345802654180E+03 -0.95635E-02 -0.10292E-01 5516 0.643E-01 0.590E-01 RMM: 3 -0.345799611062E+03 0.30431E-02 -0.67763E-03 5492 0.174E-01 0.317E-01 RMM: 4 -0.345800284982E+03 -0.67392E-03 -0.15280E-03 4696 0.967E-02 0.468E-01 RMM: 5 -0.345798809411E+03 0.14756E-02 -0.77602E-04 4604 0.728E-02 0.907E-02 RMM: 6 -0.345798843394E+03 -0.33983E-04 -0.18065E-04 3883 0.338E-02 0.121E-01 RMM: 7 -0.345798785280E+03 0.58114E-04 -0.65441E-05 3483 0.244E-02 0.808E-02 RMM: 8 -0.345798745750E+03 0.39530E-04 -0.22986E-05 2652 0.145E-02 0.271E-02 RMM: 9 -0.345798760851E+03 -0.15101E-04 -0.15738E-05 2510 0.111E-02 6060 T= 6159. E= 0.67111719E+03 F= 0.62016850E+03 E0= 0.64944384E+03 EK= 0.50949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345776978006E+03 0.21768E-01 -0.20250E-01 9024 0.236E+01 0.331E-01 RMM: 2 -0.345787616165E+03 -0.10638E-01 -0.11901E-01 5340 0.709E-01 0.494E-01 RMM: 3 -0.345785392817E+03 0.22233E-02 -0.89711E-03 5606 0.191E-01 0.326E-01 RMM: 4 -0.345785621995E+03 -0.22918E-03 -0.13325E-03 4709 0.876E-02 0.412E-01 RMM: 5 -0.345784526907E+03 0.10951E-02 -0.64272E-04 4588 0.655E-02 0.101E-01 RMM: 6 -0.345784525407E+03 0.15001E-05 -0.13992E-04 3874 0.298E-02 6061 T= 6414. E= 0.67359410E+03 F= 0.62053199E+03 E0= 0.64979887E+03 EK= 0.53062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345477514644E+03 0.30701E+00 -0.21059E-01 8916 0.240E+01 0.425E-01 RMM: 2 -0.345501971612E+03 -0.24457E-01 -0.12099E-01 5404 0.726E-01 0.156E+00 RMM: 3 -0.345484767032E+03 0.17205E-01 -0.12801E-02 5373 0.260E-01 0.301E-01 RMM: 4 -0.345485440174E+03 -0.67314E-03 -0.24506E-03 5074 0.114E-01 0.452E-01 RMM: 5 -0.345484284342E+03 0.11558E-02 -0.80484E-04 4609 0.733E-02 0.216E-01 RMM: 6 -0.345484020643E+03 0.26370E-03 -0.24389E-04 3887 0.403E-02 0.918E-02 RMM: 7 -0.345484106278E+03 -0.85635E-04 -0.14772E-04 3885 0.321E-02 0.145E-01 RMM: 8 -0.345483973691E+03 0.13259E-03 -0.75732E-05 3530 0.257E-02 0.397E-02 RMM: 9 -0.345483977261E+03 -0.35697E-05 -0.21275E-05 2658 0.132E-02 6062 T= 6645. E= 0.67614324E+03 F= 0.62117419E+03 E0= 0.65042793E+03 EK= 0.54969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344898195658E+03 0.58578E+00 -0.20971E-01 8880 0.243E+01 0.380E-01 RMM: 2 -0.344923057473E+03 -0.24862E-01 -0.12057E-01 5417 0.708E-01 0.155E+00 RMM: 3 -0.344905614390E+03 0.17443E-01 -0.11540E-02 5371 0.250E-01 0.295E-01 RMM: 4 -0.344905946427E+03 -0.33204E-03 -0.24149E-03 5068 0.114E-01 0.389E-01 RMM: 5 -0.344905208675E+03 0.73775E-03 -0.68349E-04 4597 0.696E-02 0.223E-01 RMM: 6 -0.344904886438E+03 0.32224E-03 -0.20639E-04 3883 0.378E-02 0.557E-02 RMM: 7 -0.344904941413E+03 -0.54975E-04 -0.80365E-05 3583 0.237E-02 0.108E-01 RMM: 8 -0.344904866252E+03 0.75161E-04 -0.41061E-05 3133 0.201E-02 0.297E-02 RMM: 9 -0.344904864376E+03 0.18757E-05 -0.10100E-05 2480 0.905E-03 6063 T= 6765. E= 0.67805032E+03 F= 0.62208873E+03 E0= 0.65132383E+03 EK= 0.55962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344088463769E+03 0.81640E+00 -0.20893E-01 8904 0.243E+01 0.347E-01 RMM: 2 -0.344103664289E+03 -0.15201E-01 -0.12182E-01 5394 0.722E-01 0.950E-01 RMM: 3 -0.344096599867E+03 0.70644E-02 -0.96702E-03 5479 0.210E-01 0.271E-01 RMM: 4 -0.344097163804E+03 -0.56394E-03 -0.18781E-03 4879 0.104E-01 0.419E-01 RMM: 5 -0.344096074494E+03 0.10893E-02 -0.75371E-04 4595 0.723E-02 0.157E-01 RMM: 6 -0.344095970030E+03 0.10446E-03 -0.18562E-04 3894 0.348E-02 0.102E-01 RMM: 7 -0.344095993439E+03 -0.23409E-04 -0.11450E-04 3869 0.292E-02 0.120E-01 RMM: 8 -0.344095900551E+03 0.92887E-04 -0.58923E-05 3400 0.226E-02 0.316E-02 RMM: 9 -0.344095907439E+03 -0.68879E-05 -0.15347E-05 2520 0.112E-02 6064 T= 6729. E= 0.67889471E+03 F= 0.62322971E+03 E0= 0.65244260E+03 EK= 0.55665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343141011676E+03 0.95489E+00 -0.19941E-01 8952 0.241E+01 0.311E-01 RMM: 2 -0.343156804914E+03 -0.15793E-01 -0.13477E-01 5345 0.773E-01 0.849E-01 RMM: 3 -0.343150890573E+03 0.59143E-02 -0.11328E-02 5594 0.208E-01 0.229E-01 RMM: 4 -0.343151423633E+03 -0.53306E-03 -0.16207E-03 4867 0.991E-02 0.399E-01 RMM: 5 -0.343150392216E+03 0.10314E-02 -0.67298E-04 4593 0.685E-02 0.126E-01 RMM: 6 -0.343150394961E+03 -0.27453E-05 -0.22018E-04 3888 0.379E-02 0.129E-01 RMM: 7 -0.343150368553E+03 0.26408E-04 -0.80602E-05 3647 0.270E-02 0.112E-01 RMM: 8 -0.343150288284E+03 0.80269E-04 -0.34875E-05 3051 0.177E-02 0.264E-02 RMM: 9 -0.343150300864E+03 -0.12580E-04 -0.15491E-05 2503 0.110E-02 6065 T= 6559. E= 0.67877021E+03 F= 0.62450707E+03 E0= 0.65369661E+03 EK= 0.54263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342176669025E+03 0.97362E+00 -0.19393E-01 8592 0.237E+01 0.299E-01 RMM: 2 -0.342194300313E+03 -0.17631E-01 -0.15452E-01 5176 0.837E-01 0.827E-01 RMM: 3 -0.342188600541E+03 0.56998E-02 -0.13449E-02 5740 0.220E-01 0.221E-01 RMM: 4 -0.342188805878E+03 -0.20534E-03 -0.16339E-03 4935 0.101E-01 0.345E-01 RMM: 5 -0.342188049440E+03 0.75644E-03 -0.69671E-04 4596 0.710E-02 0.130E-01 RMM: 6 -0.342188069917E+03 -0.20477E-04 -0.20144E-04 3887 0.361E-02 0.144E-01 RMM: 7 -0.342187979285E+03 0.90632E-04 -0.97467E-05 3811 0.300E-02 0.870E-02 RMM: 8 -0.342187934160E+03 0.45125E-04 -0.28684E-05 2958 0.162E-02 0.304E-02 RMM: 9 -0.342187945740E+03 -0.11580E-04 -0.14289E-05 2503 0.107E-02 6066 T= 6334. E= 0.67820121E+03 F= 0.62580309E+03 E0= 0.65497156E+03 EK= 0.52398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341317387724E+03 0.87055E+00 -0.17434E-01 8580 0.233E+01 0.295E-01 RMM: 2 -0.341330280329E+03 -0.12893E-01 -0.11883E-01 5213 0.745E-01 0.719E-01 RMM: 3 -0.341326120828E+03 0.41595E-02 -0.10423E-02 5770 0.200E-01 0.220E-01 RMM: 4 -0.341326522492E+03 -0.40166E-03 -0.13358E-03 4786 0.922E-02 0.379E-01 RMM: 5 -0.341325594859E+03 0.92763E-03 -0.63910E-04 4567 0.675E-02 0.118E-01 RMM: 6 -0.341325701738E+03 -0.10688E-03 -0.27129E-04 3907 0.417E-02 0.175E-01 RMM: 7 -0.341325553934E+03 0.14780E-03 -0.10331E-04 3785 0.314E-02 0.898E-02 RMM: 8 -0.341325503982E+03 0.49951E-04 -0.29199E-05 2945 0.160E-02 0.308E-02 RMM: 9 -0.341325518273E+03 -0.14290E-04 -0.17441E-05 2519 0.120E-02 6067 T= 6145. E= 0.67783595E+03 F= 0.62700155E+03 E0= 0.65615295E+03 EK= 0.50834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340644217304E+03 0.68129E+00 -0.16389E-01 8676 0.230E+01 0.294E-01 RMM: 2 -0.340655682980E+03 -0.11466E-01 -0.10161E-01 5262 0.701E-01 0.749E-01 RMM: 3 -0.340651453156E+03 0.42298E-02 -0.86308E-03 5732 0.184E-01 0.227E-01 RMM: 4 -0.340651754249E+03 -0.30109E-03 -0.13675E-03 4720 0.935E-02 0.352E-01 RMM: 5 -0.340650972037E+03 0.78221E-03 -0.64782E-04 4582 0.683E-02 0.132E-01 RMM: 6 -0.340650986160E+03 -0.14123E-04 -0.21360E-04 3885 0.371E-02 0.143E-01 RMM: 7 -0.340650910072E+03 0.76088E-04 -0.10010E-04 3803 0.303E-02 0.965E-02 RMM: 8 -0.340650853023E+03 0.57050E-04 -0.32827E-05 3035 0.172E-02 0.280E-02 RMM: 9 -0.340650865723E+03 -0.12700E-04 -0.14292E-05 2501 0.107E-02 6068 T= 6063. E= 0.67816926E+03 F= 0.62801318E+03 E0= 0.65715333E+03 EK= 0.50156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340206780794E+03 0.44407E+00 -0.15273E-01 8388 0.231E+01 0.300E-01 RMM: 2 -0.340215690438E+03 -0.89096E-02 -0.85060E-02 5341 0.638E-01 0.660E-01 RMM: 3 -0.340212421439E+03 0.32690E-02 -0.66694E-03 5622 0.167E-01 0.231E-01 RMM: 4 -0.340213061199E+03 -0.63976E-03 -0.13461E-03 4672 0.932E-02 0.412E-01 RMM: 5 -0.340211945381E+03 0.11158E-02 -0.64605E-04 4562 0.671E-02 0.996E-02 RMM: 6 -0.340212025361E+03 -0.79980E-04 -0.20544E-04 3887 0.364E-02 0.150E-01 RMM: 7 -0.340211927861E+03 0.97500E-04 -0.76457E-05 3595 0.269E-02 0.895E-02 RMM: 8 -0.340211877460E+03 0.50401E-04 -0.28663E-05 2934 0.160E-02 0.273E-02 RMM: 9 -0.340211889235E+03 -0.11774E-04 -0.13657E-05 2495 0.103E-02 6069 T= 6119. E= 0.67940956E+03 F= 0.62878745E+03 E0= 0.65792225E+03 EK= 0.50622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340005031196E+03 0.20685E+00 -0.15681E-01 8052 0.233E+01 0.318E-01 RMM: 2 -0.340015270726E+03 -0.10240E-01 -0.88062E-02 5260 0.668E-01 0.800E-01 RMM: 3 -0.340010765775E+03 0.45050E-02 -0.77786E-03 5572 0.183E-01 0.241E-01 RMM: 4 -0.340011387937E+03 -0.62216E-03 -0.15211E-03 4750 0.968E-02 0.407E-01 RMM: 5 -0.340010328408E+03 0.10595E-02 -0.61046E-04 4557 0.647E-02 0.133E-01 RMM: 6 -0.340010259468E+03 0.68940E-04 -0.15173E-04 3876 0.312E-02 0.937E-02 RMM: 7 -0.340010267394E+03 -0.79258E-05 -0.76813E-05 3577 0.251E-02 6070 T= 6301. E= 0.68144280E+03 F= 0.62931996E+03 E0= 0.65845523E+03 EK= 0.52123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340007415924E+03 0.28435E-02 -0.16428E-01 7920 0.238E+01 0.361E-01 RMM: 2 -0.340016051352E+03 -0.86354E-02 -0.83590E-02 5357 0.669E-01 0.760E-01 RMM: 3 -0.340012381230E+03 0.36701E-02 -0.78988E-03 5575 0.191E-01 0.258E-01 RMM: 4 -0.340013390237E+03 -0.10090E-02 -0.15050E-03 4664 0.943E-02 0.488E-01 RMM: 5 -0.340011797584E+03 0.15927E-02 -0.70869E-04 4574 0.691E-02 0.915E-02 RMM: 6 -0.340011884074E+03 -0.86490E-04 -0.18528E-04 3882 0.340E-02 0.150E-01 RMM: 7 -0.340011786568E+03 0.97507E-04 -0.78972E-05 3637 0.258E-02 0.912E-02 RMM: 8 -0.340011736927E+03 0.49640E-04 -0.33702E-05 3023 0.170E-02 0.305E-02 RMM: 9 -0.340011757147E+03 -0.20220E-04 -0.18112E-05 2536 0.120E-02 0.570E-02 RMM: 10 -0.340011741968E+03 0.15179E-04 -0.12237E-05 2487 0.115E-02 6071 T= 6549. E= 0.68382293E+03 F= 0.62964341E+03 E0= 0.65878219E+03 EK= 0.54180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340154363607E+03 -0.14261E+00 -0.17924E-01 7944 0.242E+01 0.320E-01 RMM: 2 -0.340165366209E+03 -0.11003E-01 -0.10868E-01 5171 0.758E-01 0.713E-01 RMM: 3 -0.340162011790E+03 0.33544E-02 -0.10809E-02 5641 0.211E-01 0.240E-01 RMM: 4 -0.340162667751E+03 -0.65596E-03 -0.13447E-03 4751 0.876E-02 0.417E-01 RMM: 5 -0.340161525310E+03 0.11424E-02 -0.49298E-04 4435 0.570E-02 0.104E-01 RMM: 6 -0.340161474229E+03 0.51081E-04 -0.11537E-04 3778 0.271E-02 0.669E-02 RMM: 7 -0.340161473862E+03 0.36609E-06 -0.42546E-05 3103 0.192E-02 6072 T= 6773. E= 0.68584293E+03 F= 0.62981296E+03 E0= 0.65895723E+03 EK= 0.56030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340396554175E+03 -0.23508E+00 -0.18256E-01 8292 0.245E+01 0.373E-01 RMM: 2 -0.340406978324E+03 -0.10424E-01 -0.96655E-02 5378 0.726E-01 0.830E-01 RMM: 3 -0.340402608511E+03 0.43698E-02 -0.89706E-03 5548 0.204E-01 0.278E-01 RMM: 4 -0.340403631817E+03 -0.10233E-02 -0.17454E-03 4730 0.102E-01 0.494E-01 RMM: 5 -0.340401968599E+03 0.16632E-02 -0.74905E-04 4603 0.703E-02 0.101E-01 RMM: 6 -0.340401990224E+03 -0.21625E-04 -0.17269E-04 3884 0.327E-02 0.124E-01 RMM: 7 -0.340401948534E+03 0.41690E-04 -0.85593E-05 3778 0.256E-02 0.101E-01 RMM: 8 -0.340401887136E+03 0.61398E-04 -0.37076E-05 3086 0.178E-02 0.318E-02 RMM: 9 -0.340401902605E+03 -0.15469E-04 -0.18987E-05 2545 0.124E-02 6073 T= 6877. E= 0.68678006E+03 F= 0.62988849E+03 E0= 0.65903761E+03 EK= 0.56892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340687032549E+03 -0.28515E+00 -0.19204E-01 8352 0.245E+01 0.336E-01 RMM: 2 -0.340698824968E+03 -0.11792E-01 -0.11361E-01 5201 0.773E-01 0.769E-01 RMM: 3 -0.340694887823E+03 0.39371E-02 -0.10907E-02 5676 0.215E-01 0.249E-01 RMM: 4 -0.340695655730E+03 -0.76791E-03 -0.15366E-03 4818 0.948E-02 0.442E-01 RMM: 5 -0.340694389878E+03 0.12659E-02 -0.61214E-04 4575 0.643E-02 0.116E-01 RMM: 6 -0.340694332709E+03 0.57168E-04 -0.14047E-04 3876 0.300E-02 0.791E-02 RMM: 7 -0.340694354650E+03 -0.21940E-04 -0.56027E-05 3335 0.211E-02 0.100E-01 RMM: 8 -0.340694292720E+03 0.61930E-04 -0.31767E-05 2951 0.176E-02 0.254E-02 RMM: 9 -0.340694299960E+03 -0.72403E-05 -0.13059E-05 2485 0.100E-02 6074 T= 6812. E= 0.68626960E+03 F= 0.62991234E+03 E0= 0.65906396E+03 EK= 0.56357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341023652564E+03 -0.32936E+00 -0.19117E-01 8628 0.242E+01 0.333E-01 RMM: 2 -0.341033965704E+03 -0.10313E-01 -0.97270E-02 5494 0.690E-01 0.736E-01 RMM: 3 -0.341029797940E+03 0.41678E-02 -0.70705E-03 5525 0.180E-01 0.248E-01 RMM: 4 -0.341030607110E+03 -0.80917E-03 -0.15218E-03 4700 0.971E-02 0.442E-01 RMM: 5 -0.341029324563E+03 0.12825E-02 -0.65064E-04 4592 0.667E-02 0.106E-01 RMM: 6 -0.341029316081E+03 0.84813E-05 -0.15411E-04 3875 0.310E-02 6075 T= 6605. E= 0.68453991E+03 F= 0.62989761E+03 E0= 0.65904836E+03 EK= 0.54642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341417777574E+03 -0.38845E+00 -0.18792E-01 8556 0.237E+01 0.455E-01 RMM: 2 -0.341451434419E+03 -0.33657E-01 -0.11649E-01 5181 0.791E-01 0.200E+00 RMM: 3 -0.341424600908E+03 0.26834E-01 -0.16292E-02 5370 0.307E-01 0.299E-01 RMM: 4 -0.341424891703E+03 -0.29079E-03 -0.25905E-03 5260 0.114E-01 0.385E-01 RMM: 5 -0.341424244776E+03 0.64693E-03 -0.83573E-04 4608 0.747E-02 0.256E-01 RMM: 6 -0.341423856711E+03 0.38806E-03 -0.37199E-04 3955 0.508E-02 0.991E-02 RMM: 7 -0.341423958354E+03 -0.10164E-03 -0.15966E-04 3885 0.347E-02 0.157E-01 RMM: 8 -0.341423807885E+03 0.15047E-03 -0.88297E-05 3689 0.279E-02 0.492E-02 RMM: 9 -0.341423805460E+03 0.24253E-05 -0.22654E-05 2709 0.139E-02 6076 T= 6340. E= 0.68227797E+03 F= 0.62983010E+03 E0= 0.65897670E+03 EK= 0.52448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341900880664E+03 -0.47707E+00 -0.17481E-01 8592 0.232E+01 0.377E-01 RMM: 2 -0.341926674270E+03 -0.25794E-01 -0.10010E-01 5316 0.685E-01 0.165E+00 RMM: 3 -0.341907017976E+03 0.19656E-01 -0.12323E-02 5358 0.267E-01 0.334E-01 RMM: 4 -0.341906927232E+03 0.90743E-04 -0.23567E-03 5192 0.114E-01 0.327E-01 RMM: 5 -0.341906508589E+03 0.41864E-03 -0.68218E-04 4592 0.720E-02 0.231E-01 RMM: 6 -0.341906158698E+03 0.34989E-03 -0.20049E-04 3880 0.377E-02 0.554E-02 RMM: 7 -0.341906226923E+03 -0.68224E-04 -0.86898E-05 3643 0.249E-02 0.116E-01 RMM: 8 -0.341906140866E+03 0.86057E-04 -0.42288E-05 3179 0.205E-02 0.255E-02 RMM: 9 -0.341906141260E+03 -0.39409E-06 -0.92280E-06 2474 0.864E-03 6077 T= 6114. E= 0.68026292E+03 F= 0.62968216E+03 E0= 0.65882171E+03 EK= 0.50581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342490932648E+03 -0.58479E+00 -0.17187E-01 8508 0.228E+01 0.359E-01 RMM: 2 -0.342507135037E+03 -0.16202E-01 -0.10254E-01 5239 0.704E-01 0.116E+00 RMM: 3 -0.342497417574E+03 0.97175E-02 -0.95569E-03 5422 0.217E-01 0.244E-01 RMM: 4 -0.342498119408E+03 -0.70183E-03 -0.20102E-03 5006 0.109E-01 0.427E-01 RMM: 5 -0.342497064431E+03 0.10550E-02 -0.80014E-04 4604 0.764E-02 0.182E-01 RMM: 6 -0.342496892719E+03 0.17171E-03 -0.24389E-04 3897 0.407E-02 0.973E-02 RMM: 7 -0.342496935306E+03 -0.42587E-04 -0.11248E-04 3857 0.308E-02 0.128E-01 RMM: 8 -0.342496831651E+03 0.10366E-03 -0.53290E-05 3341 0.218E-02 0.348E-02 RMM: 9 -0.342496836804E+03 -0.51538E-05 -0.16780E-05 2527 0.118E-02 6078 T= 6000. E= 0.67906864E+03 F= 0.62943175E+03 E0= 0.65856310E+03 EK= 0.49637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343190281525E+03 -0.69345E+00 -0.16847E-01 8808 0.227E+01 0.328E-01 RMM: 2 -0.343201987911E+03 -0.11706E-01 -0.94399E-02 5249 0.663E-01 0.860E-01 RMM: 3 -0.343196235397E+03 0.57525E-02 -0.79880E-03 5441 0.195E-01 0.235E-01 RMM: 4 -0.343197199309E+03 -0.96391E-03 -0.16289E-03 4836 0.992E-02 0.461E-01 RMM: 5 -0.343195834193E+03 0.13651E-02 -0.67168E-04 4588 0.688E-02 0.117E-01 RMM: 6 -0.343195807667E+03 0.26527E-04 -0.18654E-04 3880 0.352E-02 0.102E-01 RMM: 7 -0.343195799622E+03 0.80448E-05 -0.61615E-05 3443 0.236E-02 6079 T= 6029. E= 0.67894953E+03 F= 0.62907579E+03 E0= 0.65819814E+03 EK= 0.49874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343969425127E+03 -0.77362E+00 -0.17132E-01 8532 0.229E+01 0.364E-01 RMM: 2 -0.343982049239E+03 -0.12624E-01 -0.10804E-01 5144 0.718E-01 0.849E-01 RMM: 3 -0.343976556728E+03 0.54925E-02 -0.97758E-03 5609 0.204E-01 0.261E-01 RMM: 4 -0.343977432752E+03 -0.87602E-03 -0.20465E-03 5053 0.112E-01 0.475E-01 RMM: 5 -0.343975978707E+03 0.14540E-02 -0.91619E-04 4610 0.811E-02 0.124E-01 RMM: 6 -0.343975972371E+03 0.63363E-05 -0.18242E-04 3891 0.345E-02 6080 T= 6189. E= 0.67983547E+03 F= 0.62863773E+03 E0= 0.65775128E+03 EK= 0.51198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344776873895E+03 -0.80090E+00 -0.17269E-01 8772 0.233E+01 0.430E-01 RMM: 2 -0.344802723526E+03 -0.25850E-01 -0.10846E-01 5173 0.732E-01 0.168E+00 RMM: 3 -0.344783463714E+03 0.19260E-01 -0.14562E-02 5374 0.286E-01 0.335E-01 RMM: 4 -0.344783596144E+03 -0.13243E-03 -0.23726E-03 5095 0.108E-01 0.379E-01 RMM: 5 -0.344782901558E+03 0.69459E-03 -0.68631E-04 4607 0.671E-02 0.224E-01 RMM: 6 -0.344782593139E+03 0.30842E-03 -0.29154E-04 3906 0.452E-02 0.806E-02 RMM: 7 -0.344782678161E+03 -0.85022E-04 -0.10899E-04 3836 0.280E-02 0.137E-01 RMM: 8 -0.344782568498E+03 0.10966E-03 -0.53421E-05 3344 0.219E-02 0.505E-02 RMM: 9 -0.344782557975E+03 0.10523E-04 -0.17630E-05 2542 0.123E-02 6081 T= 6427. E= 0.68134222E+03 F= 0.62816960E+03 E0= 0.65727819E+03 EK= 0.53173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345534803916E+03 -0.75224E+00 -0.17862E-01 8712 0.237E+01 0.458E-01 RMM: 2 -0.345567833224E+03 -0.33029E-01 -0.11694E-01 5111 0.767E-01 0.197E+00 RMM: 3 -0.345541759066E+03 0.26074E-01 -0.17018E-02 5355 0.315E-01 0.397E-01 RMM: 4 -0.345541423380E+03 0.33569E-03 -0.31148E-03 5281 0.126E-01 0.358E-01 RMM: 5 -0.345540901707E+03 0.52167E-03 -0.71864E-04 4608 0.698E-02 0.240E-01 RMM: 6 -0.345540520546E+03 0.38116E-03 -0.22207E-04 3896 0.395E-02 0.588E-02 RMM: 7 -0.345540545354E+03 -0.24808E-04 -0.61577E-05 3404 0.208E-02 0.894E-02 RMM: 8 -0.345540498704E+03 0.46650E-04 -0.32029E-05 2842 0.179E-02 0.400E-02 RMM: 9 -0.345540490948E+03 0.77560E-05 -0.13011E-05 2491 0.108E-02 6082 T= 6658. E= 0.68282712E+03 F= 0.62774566E+03 E0= 0.65685137E+03 EK= 0.55081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346164997434E+03 -0.62450E+00 -0.18569E-01 8652 0.241E+01 0.390E-01 RMM: 2 -0.346185138559E+03 -0.20141E-01 -0.11245E-01 5292 0.722E-01 0.134E+00 RMM: 3 -0.346171919332E+03 0.13219E-01 -0.10424E-02 5385 0.227E-01 0.261E-01 RMM: 4 -0.346172885401E+03 -0.96607E-03 -0.24147E-03 5102 0.116E-01 0.479E-01 RMM: 5 -0.346171428981E+03 0.14564E-02 -0.86448E-04 4608 0.790E-02 0.145E-01 RMM: 6 -0.346171332109E+03 0.96871E-04 -0.16531E-04 3881 0.326E-02 0.880E-02 RMM: 7 -0.346171369547E+03 -0.37438E-04 -0.82133E-05 3671 0.242E-02 0.119E-01 RMM: 8 -0.346171280621E+03 0.88926E-04 -0.46339E-05 3217 0.206E-02 0.326E-02 RMM: 9 -0.346171288607E+03 -0.79857E-05 -0.17307E-05 2517 0.118E-02 6083 T= 6786. E= 0.68358753E+03 F= 0.62744565E+03 E0= 0.65655271E+03 EK= 0.56142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346604634256E+03 -0.43335E+00 -0.18956E-01 8820 0.242E+01 0.362E-01 RMM: 2 -0.346619765615E+03 -0.15131E-01 -0.11356E-01 5341 0.719E-01 0.103E+00 RMM: 3 -0.346611677744E+03 0.80879E-02 -0.91942E-03 5503 0.208E-01 0.239E-01 RMM: 4 -0.346612487022E+03 -0.80928E-03 -0.19667E-03 4911 0.107E-01 0.437E-01 RMM: 5 -0.346611255917E+03 0.12311E-02 -0.73157E-04 4591 0.708E-02 0.141E-01 RMM: 6 -0.346611168216E+03 0.87702E-04 -0.16700E-04 3886 0.332E-02 0.878E-02 RMM: 7 -0.346611217549E+03 -0.49333E-04 -0.80911E-05 3621 0.246E-02 0.123E-01 RMM: 8 -0.346611120929E+03 0.96620E-04 -0.44561E-05 3185 0.202E-02 0.281E-02 RMM: 9 -0.346611128471E+03 -0.75423E-05 -0.14152E-05 2507 0.104E-02 6084 T= 6753. E= 0.68320101E+03 F= 0.62733623E+03 E0= 0.65644908E+03 EK= 0.55865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346822161483E+03 -0.21104E+00 -0.19571E-01 8364 0.240E+01 0.345E-01 RMM: 2 -0.346839320579E+03 -0.17159E-01 -0.13048E-01 5197 0.773E-01 0.102E+00 RMM: 3 -0.346831049173E+03 0.82714E-02 -0.11369E-02 5593 0.218E-01 0.231E-01 RMM: 4 -0.346831763558E+03 -0.71438E-03 -0.19790E-03 5009 0.109E-01 0.428E-01 RMM: 5 -0.346830625184E+03 0.11384E-02 -0.75334E-04 4605 0.728E-02 0.158E-01 RMM: 6 -0.346830495956E+03 0.12923E-03 -0.18053E-04 3888 0.341E-02 0.844E-02 RMM: 7 -0.346830536154E+03 -0.40198E-04 -0.90712E-05 3740 0.264E-02 0.118E-01 RMM: 8 -0.346830448493E+03 0.87661E-04 -0.44250E-05 3202 0.202E-02 0.293E-02 RMM: 9 -0.346830455336E+03 -0.68426E-05 -0.13213E-05 2499 0.100E-02 6085 T= 6568. E= 0.68178636E+03 F= 0.62745016E+03 E0= 0.65657389E+03 EK= 0.54336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346832290648E+03 -0.18422E-02 -0.19015E-01 8616 0.236E+01 0.338E-01 RMM: 2 -0.346846385960E+03 -0.14095E-01 -0.11250E-01 5387 0.713E-01 0.939E-01 RMM: 3 -0.346839562237E+03 0.68237E-02 -0.88202E-03 5654 0.194E-01 0.229E-01 RMM: 4 -0.346840214495E+03 -0.65226E-03 -0.17221E-03 4790 0.102E-01 0.413E-01 RMM: 5 -0.346839118119E+03 0.10964E-02 -0.72169E-04 4597 0.715E-02 0.141E-01 RMM: 6 -0.346839066336E+03 0.51782E-04 -0.20626E-04 3892 0.368E-02 0.114E-01 RMM: 7 -0.346839068948E+03 -0.26117E-05 -0.97586E-05 3796 0.287E-02 6086 T= 6306. E= 0.67994553E+03 F= 0.62777995E+03 E0= 0.65691881E+03 EK= 0.52166E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346669337394E+03 0.16973E+00 -0.18163E-01 8304 0.232E+01 0.353E-01 RMM: 2 -0.346681939781E+03 -0.12602E-01 -0.11251E-01 5340 0.712E-01 0.819E-01 RMM: 3 -0.346676726629E+03 0.52132E-02 -0.90581E-03 5662 0.194E-01 0.276E-01 RMM: 4 -0.346677407182E+03 -0.68055E-03 -0.18168E-03 4803 0.106E-01 0.451E-01 RMM: 5 -0.346676098074E+03 0.13091E-02 -0.92795E-04 4606 0.818E-02 0.140E-01 RMM: 6 -0.346676120109E+03 -0.22034E-04 -0.25846E-04 3890 0.409E-02 0.154E-01 RMM: 7 -0.346676046815E+03 0.73294E-04 -0.13890E-04 3884 0.351E-02 0.115E-01 RMM: 8 -0.346675967280E+03 0.79534E-04 -0.49779E-05 3297 0.208E-02 0.370E-02 RMM: 9 -0.346675984274E+03 -0.16993E-04 -0.21322E-05 2583 0.129E-02 6087 T= 6063. E= 0.67844126E+03 F= 0.62828691E+03 E0= 0.65744389E+03 EK= 0.50154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346385852604E+03 0.29011E+00 -0.17574E-01 8460 0.228E+01 0.285E-01 RMM: 2 -0.346398291098E+03 -0.12438E-01 -0.10472E-01 5294 0.689E-01 0.814E-01 RMM: 3 -0.346393055847E+03 0.52353E-02 -0.85368E-03 5786 0.182E-01 0.196E-01 RMM: 4 -0.346393455772E+03 -0.39992E-03 -0.13086E-03 4699 0.901E-02 0.348E-01 RMM: 5 -0.346392686485E+03 0.76929E-03 -0.58562E-04 4574 0.653E-02 0.129E-01 RMM: 6 -0.346392643857E+03 0.42628E-04 -0.19841E-04 3890 0.367E-02 0.104E-01 RMM: 7 -0.346392647032E+03 -0.31750E-05 -0.74687E-05 3618 0.265E-02 6088 T= 5919. E= 0.67788712E+03 F= 0.62891762E+03 E0= 0.65809570E+03 EK= 0.48970E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346034461178E+03 0.35818E+00 -0.17409E-01 8268 0.227E+01 0.363E-01 RMM: 2 -0.346044357149E+03 -0.98960E-02 -0.98840E-02 5291 0.681E-01 0.705E-01 RMM: 3 -0.346040600086E+03 0.37571E-02 -0.85181E-03 5723 0.188E-01 0.283E-01 RMM: 4 -0.346041493242E+03 -0.89316E-03 -0.18336E-03 4859 0.110E-01 0.491E-01 RMM: 5 -0.346039897865E+03 0.15954E-02 -0.89013E-04 4603 0.779E-02 0.133E-01 RMM: 6 -0.346039952050E+03 -0.54185E-04 -0.25835E-04 3894 0.412E-02 0.164E-01 RMM: 7 -0.346039859230E+03 0.92820E-04 -0.14611E-04 3884 0.360E-02 0.117E-01 RMM: 8 -0.346039774485E+03 0.84745E-04 -0.55722E-05 3342 0.217E-02 0.361E-02 RMM: 9 -0.346039788770E+03 -0.14286E-04 -0.25863E-05 2656 0.148E-02 6089 T= 5922. E= 0.67860854E+03 F= 0.62961753E+03 E0= 0.65881912E+03 EK= 0.48991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345660028342E+03 0.37975E+00 -0.17031E-01 8436 0.228E+01 0.259E-01 RMM: 2 -0.345668844679E+03 -0.88163E-02 -0.91814E-02 5310 0.645E-01 0.519E-01 RMM: 3 -0.345666445986E+03 0.23987E-02 -0.71433E-03 5922 0.163E-01 0.197E-01 RMM: 4 -0.345666851724E+03 -0.40574E-03 -0.94751E-04 4645 0.769E-02 0.349E-01 RMM: 5 -0.345666049451E+03 0.80227E-03 -0.42215E-04 4265 0.547E-02 0.918E-02 RMM: 6 -0.345666071239E+03 -0.21787E-04 -0.15353E-04 3881 0.327E-02 0.110E-01 RMM: 7 -0.345666028196E+03 0.43043E-04 -0.57728E-05 3407 0.232E-02 0.759E-02 RMM: 8 -0.345665992112E+03 0.36084E-04 -0.17051E-05 2561 0.129E-02 0.216E-02 RMM: 9 -0.345665994931E+03 -0.28189E-05 -0.75106E-06 2448 0.770E-03 6090 T= 6078. E= 0.68061590E+03 F= 0.63033365E+03 E0= 0.65956185E+03 EK= 0.50282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345313542936E+03 0.35245E+00 -0.17520E-01 8484 0.232E+01 0.325E-01 RMM: 2 -0.345322635764E+03 -0.90928E-02 -0.91560E-02 5323 0.650E-01 0.642E-01 RMM: 3 -0.345319525725E+03 0.31100E-02 -0.72537E-03 5663 0.172E-01 0.269E-01 RMM: 4 -0.345320136400E+03 -0.61068E-03 -0.15129E-03 4742 0.976E-02 0.429E-01 RMM: 5 -0.345318913737E+03 0.12227E-02 -0.72099E-04 4584 0.704E-02 0.110E-01 RMM: 6 -0.345318916295E+03 -0.25582E-05 -0.18904E-04 3906 0.353E-02 6091 T= 6354. E= 0.68358222E+03 F= 0.63101486E+03 E0= 0.66027159E+03 EK= 0.52567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345043481527E+03 0.27543E+00 -0.18442E-01 8328 0.236E+01 0.439E-01 RMM: 2 -0.345074124567E+03 -0.30643E-01 -0.10486E-01 5235 0.740E-01 0.187E+00 RMM: 3 -0.345049782636E+03 0.24342E-01 -0.14536E-02 5344 0.287E-01 0.350E-01 RMM: 4 -0.345049543647E+03 0.23899E-03 -0.24947E-03 5124 0.114E-01 0.320E-01 RMM: 5 -0.345049291134E+03 0.25251E-03 -0.79464E-04 4587 0.713E-02 0.281E-01 RMM: 6 -0.345048818426E+03 0.47271E-03 -0.35019E-04 3918 0.497E-02 0.103E-01 RMM: 7 -0.345048904704E+03 -0.86278E-04 -0.19057E-04 3889 0.374E-02 0.153E-01 RMM: 8 -0.345048772610E+03 0.13209E-03 -0.10457E-04 3802 0.302E-02 0.616E-02 RMM: 9 -0.345048756866E+03 0.15744E-04 -0.19774E-05 2607 0.133E-02 6092 T= 6673. E= 0.68681705E+03 F= 0.63160958E+03 E0= 0.66089986E+03 EK= 0.55207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344903422633E+03 0.14535E+00 -0.19178E-01 8424 0.240E+01 0.401E-01 RMM: 2 -0.344937198761E+03 -0.33776E-01 -0.10422E-01 5254 0.718E-01 0.198E+00 RMM: 3 -0.344909949923E+03 0.27249E-01 -0.14161E-02 5346 0.286E-01 0.324E-01 RMM: 4 -0.344909855814E+03 0.94109E-04 -0.25439E-03 5172 0.113E-01 0.329E-01 RMM: 5 -0.344909589860E+03 0.26595E-03 -0.60257E-04 4593 0.647E-02 0.266E-01 RMM: 6 -0.344909096894E+03 0.49297E-03 -0.23920E-04 3906 0.413E-02 0.514E-02 RMM: 7 -0.344909147996E+03 -0.51102E-04 -0.91103E-05 3686 0.253E-02 0.104E-01 RMM: 8 -0.344909089817E+03 0.58179E-04 -0.40866E-05 3102 0.196E-02 0.489E-02 RMM: 9 -0.344909076130E+03 0.13686E-04 -0.11955E-05 2494 0.101E-02 6093 T= 6926. E= 0.68936231E+03 F= 0.63206559E+03 E0= 0.66139163E+03 EK= 0.57297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344936102008E+03 -0.27012E-01 -0.20731E-01 8124 0.242E+01 0.380E-01 RMM: 2 -0.344960223547E+03 -0.24122E-01 -0.12358E-01 5101 0.793E-01 0.150E+00 RMM: 3 -0.344944657173E+03 0.15566E-01 -0.13705E-02 5389 0.264E-01 0.321E-01 RMM: 4 -0.344944550728E+03 0.10645E-03 -0.21327E-03 5036 0.106E-01 0.313E-01 RMM: 5 -0.344944176035E+03 0.37469E-03 -0.60411E-04 4572 0.630E-02 0.234E-01 RMM: 6 -0.344943835230E+03 0.34081E-03 -0.24076E-04 3895 0.410E-02 0.772E-02 RMM: 7 -0.344943925639E+03 -0.90410E-04 -0.13940E-04 3887 0.321E-02 0.141E-01 RMM: 8 -0.344943801593E+03 0.12405E-03 -0.66514E-05 3457 0.243E-02 0.419E-02 RMM: 9 -0.344943795978E+03 0.56149E-05 -0.13967E-05 2511 0.109E-02 6094 T= 7011. E= 0.69034164E+03 F= 0.63234254E+03 E0= 0.66170784E+03 EK= 0.57999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345164191125E+03 -0.22039E+00 -0.21470E-01 8472 0.241E+01 0.327E-01 RMM: 2 -0.345179999210E+03 -0.15808E-01 -0.11777E-01 5188 0.733E-01 0.100E+00 RMM: 3 -0.345172274726E+03 0.77245E-02 -0.96725E-03 5417 0.214E-01 0.252E-01 RMM: 4 -0.345172784066E+03 -0.50934E-03 -0.19039E-03 4960 0.104E-01 0.386E-01 RMM: 5 -0.345171914539E+03 0.86953E-03 -0.68767E-04 4600 0.699E-02 0.164E-01 RMM: 6 -0.345171769843E+03 0.14470E-03 -0.16716E-04 3884 0.335E-02 0.800E-02 RMM: 7 -0.345171840987E+03 -0.71144E-04 -0.10344E-04 3803 0.276E-02 0.128E-01 RMM: 8 -0.345171737723E+03 0.10326E-03 -0.51257E-05 3298 0.218E-02 0.360E-02 RMM: 9 -0.345171736428E+03 0.12951E-05 -0.11982E-05 2501 0.985E-03 6095 T= 6891. E= 0.68943326E+03 F= 0.63242641E+03 E0= 0.66183235E+03 EK= 0.57007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345566901382E+03 -0.39516E+00 -0.23579E-01 8352 0.237E+01 0.318E-01 RMM: 2 -0.345584054723E+03 -0.17153E-01 -0.14354E-01 5082 0.811E-01 0.896E-01 RMM: 3 -0.345577329847E+03 0.67249E-02 -0.12296E-02 5518 0.231E-01 0.216E-01 RMM: 4 -0.345578028490E+03 -0.69864E-03 -0.18056E-03 5064 0.103E-01 0.416E-01 RMM: 5 -0.345576967786E+03 0.10607E-02 -0.67186E-04 4590 0.686E-02 0.142E-01 RMM: 6 -0.345576891504E+03 0.76282E-04 -0.17675E-04 3879 0.341E-02 0.982E-02 RMM: 7 -0.345576917024E+03 -0.25520E-04 -0.90637E-05 3740 0.276E-02 0.117E-01 RMM: 8 -0.345576830617E+03 0.86407E-04 -0.40992E-05 3160 0.195E-02 0.275E-02 RMM: 9 -0.345576840398E+03 -0.97817E-05 -0.13528E-05 2503 0.103E-02 6096 T= 6617. E= 0.68707669E+03 F= 0.63233786E+03 E0= 0.66178420E+03 EK= 0.54739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346105679294E+03 -0.52885E+00 -0.23177E-01 8796 0.232E+01 0.324E-01 RMM: 2 -0.346121749418E+03 -0.16070E-01 -0.13754E-01 5344 0.752E-01 0.860E-01 RMM: 3 -0.346115131600E+03 0.66178E-02 -0.95894E-03 5413 0.211E-01 0.261E-01 RMM: 4 -0.346115701167E+03 -0.56957E-03 -0.19095E-03 4934 0.104E-01 0.407E-01 RMM: 5 -0.346114730588E+03 0.97058E-03 -0.74108E-04 4602 0.735E-02 0.160E-01 RMM: 6 -0.346114597198E+03 0.13339E-03 -0.16596E-04 3880 0.330E-02 0.845E-02 RMM: 7 -0.346114636770E+03 -0.39572E-04 -0.10193E-04 3848 0.284E-02 0.113E-01 RMM: 8 -0.346114556906E+03 0.79864E-04 -0.45548E-05 3238 0.206E-02 0.329E-02 RMM: 9 -0.346114560199E+03 -0.32938E-05 -0.12513E-05 2497 0.100E-02 6097 T= 6295. E= 0.68419880E+03 F= 0.63212447E+03 E0= 0.66160965E+03 EK= 0.52074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346717769535E+03 -0.60321E+00 -0.24248E-01 9036 0.227E+01 0.348E-01 RMM: 2 -0.346736238086E+03 -0.18469E-01 -0.15148E-01 5394 0.780E-01 0.977E-01 RMM: 3 -0.346728181295E+03 0.80568E-02 -0.10149E-02 5417 0.218E-01 0.255E-01 RMM: 4 -0.346728975743E+03 -0.79445E-03 -0.20336E-03 4949 0.108E-01 0.442E-01 RMM: 5 -0.346727816755E+03 0.11590E-02 -0.75606E-04 4605 0.722E-02 0.171E-01 RMM: 6 -0.346727664388E+03 0.15237E-03 -0.23010E-04 3893 0.396E-02 0.903E-02 RMM: 7 -0.346727743986E+03 -0.79598E-04 -0.10999E-04 3850 0.290E-02 0.142E-01 RMM: 8 -0.346727619412E+03 0.12457E-03 -0.59828E-05 3407 0.230E-02 0.374E-02 RMM: 9 -0.346727620296E+03 -0.88389E-06 -0.14124E-05 2517 0.107E-02 6098 T= 6031. E= 0.68173709E+03 F= 0.63184406E+03 E0= 0.66136544E+03 EK= 0.49893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347350245281E+03 -0.62263E+00 -0.25576E-01 8868 0.224E+01 0.351E-01 RMM: 2 -0.347370496147E+03 -0.20251E-01 -0.16220E-01 5728 0.776E-01 0.102E+00 RMM: 3 -0.347361515712E+03 0.89804E-02 -0.93430E-03 5403 0.212E-01 0.262E-01 RMM: 4 -0.347362366933E+03 -0.85122E-03 -0.20955E-03 4930 0.110E-01 0.455E-01 RMM: 5 -0.347361142948E+03 0.12240E-02 -0.78993E-04 4611 0.748E-02 0.172E-01 RMM: 6 -0.347360983251E+03 0.15970E-03 -0.19257E-04 3887 0.355E-02 0.851E-02 RMM: 7 -0.347361037639E+03 -0.54388E-04 -0.10676E-04 3836 0.285E-02 0.124E-01 RMM: 8 -0.347360943448E+03 0.94191E-04 -0.51204E-05 3300 0.215E-02 0.322E-02 RMM: 9 -0.347360950528E+03 -0.70795E-05 -0.15184E-05 2515 0.110E-02 6099 T= 5897. E= 0.68033354E+03 F= 0.63154961E+03 E0= 0.66110481E+03 EK= 0.48784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347954432680E+03 -0.59349E+00 -0.28168E-01 8928 0.223E+01 0.367E-01 RMM: 2 -0.347976902206E+03 -0.22470E-01 -0.17802E-01 5712 0.797E-01 0.110E+00 RMM: 3 -0.347966713524E+03 0.10189E-01 -0.10254E-02 5398 0.219E-01 0.282E-01 RMM: 4 -0.347967448546E+03 -0.73502E-03 -0.22282E-03 4907 0.112E-01 0.445E-01 RMM: 5 -0.347966268807E+03 0.11797E-02 -0.73027E-04 4601 0.696E-02 0.176E-01 RMM: 6 -0.347966095353E+03 0.17345E-03 -0.19788E-04 3888 0.364E-02 0.830E-02 RMM: 7 -0.347966181585E+03 -0.86232E-04 -0.11730E-04 3867 0.289E-02 0.142E-01 RMM: 8 -0.347966057970E+03 0.12361E-03 -0.63931E-05 3444 0.234E-02 0.370E-02 RMM: 9 -0.347966058549E+03 -0.57889E-06 -0.15267E-05 2520 0.111E-02 6100 T= 5921. E= 0.68026784E+03 F= 0.63128557E+03 E0= 0.66087286E+03 EK= 0.48982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348484324973E+03 -0.51827E+00 -0.31535E-01 8844 0.225E+01 0.366E-01 RMM: 2 -0.348508595893E+03 -0.24271E-01 -0.19693E-01 5883 0.808E-01 0.108E+00 RMM: 3 -0.348498087373E+03 0.10509E-01 -0.99992E-03 5397 0.214E-01 0.261E-01 RMM: 4 -0.348499041488E+03 -0.95411E-03 -0.22426E-03 4890 0.111E-01 0.477E-01 RMM: 5 -0.348497679576E+03 0.13619E-02 -0.79328E-04 4611 0.734E-02 0.165E-01 RMM: 6 -0.348497532322E+03 0.14725E-03 -0.17482E-04 3884 0.334E-02 0.809E-02 RMM: 7 -0.348497600872E+03 -0.68550E-04 -0.10908E-04 3858 0.277E-02 0.130E-01 RMM: 8 -0.348497494785E+03 0.10609E-03 -0.58085E-05 3384 0.224E-02 0.316E-02 RMM: 9 -0.348497501722E+03 -0.69376E-05 -0.15818E-05 2524 0.112E-02 6101 T= 6091. E= 0.68148483E+03 F= 0.63109283E+03 E0= 0.66071165E+03 EK= 0.50392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348897093139E+03 -0.39960E+00 -0.35673E-01 8724 0.229E+01 0.358E-01 RMM: 2 -0.348921530128E+03 -0.24437E-01 -0.22304E-01 5969 0.852E-01 0.903E-01 RMM: 3 -0.348913188801E+03 0.83413E-02 -0.10776E-02 5417 0.218E-01 0.289E-01 RMM: 4 -0.348914015850E+03 -0.82705E-03 -0.21560E-03 4836 0.108E-01 0.467E-01 RMM: 5 -0.348912627651E+03 0.13882E-02 -0.72715E-04 4583 0.687E-02 0.143E-01 RMM: 6 -0.348912527170E+03 0.10048E-03 -0.15745E-04 3881 0.319E-02 0.825E-02 RMM: 7 -0.348912587255E+03 -0.60086E-04 -0.98848E-05 3807 0.261E-02 0.128E-01 RMM: 8 -0.348912485147E+03 0.10211E-03 -0.56634E-05 3366 0.219E-02 0.313E-02 RMM: 9 -0.348912491853E+03 -0.67055E-05 -0.17563E-05 2527 0.119E-02 6102 T= 6357. E= 0.68360382E+03 F= 0.63101060E+03 E0= 0.66066075E+03 EK= 0.52593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349156641960E+03 -0.24416E+00 -0.40288E-01 8736 0.234E+01 0.356E-01 RMM: 2 -0.349183327421E+03 -0.26685E-01 -0.24307E-01 6062 0.884E-01 0.910E-01 RMM: 3 -0.349174539255E+03 0.87882E-02 -0.10856E-02 5456 0.216E-01 0.258E-01 RMM: 4 -0.349175407679E+03 -0.86842E-03 -0.20837E-03 4835 0.106E-01 0.467E-01 RMM: 5 -0.349174059144E+03 0.13485E-02 -0.75948E-04 4589 0.707E-02 0.139E-01 RMM: 6 -0.349173967666E+03 0.91479E-04 -0.14741E-04 3881 0.301E-02 0.829E-02 RMM: 7 -0.349174011823E+03 -0.44158E-04 -0.97548E-05 3800 0.258E-02 0.118E-01 RMM: 8 -0.349173924372E+03 0.87452E-04 -0.54756E-05 3342 0.216E-02 0.281E-02 RMM: 9 -0.349173936125E+03 -0.11753E-04 -0.16622E-05 2530 0.115E-02 6103 T= 6632. E= 0.68594116E+03 F= 0.63107451E+03 E0= 0.66075607E+03 EK= 0.54867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349238467999E+03 -0.64544E-01 -0.44772E-01 8796 0.238E+01 0.347E-01 RMM: 2 -0.349264853292E+03 -0.26385E-01 -0.25829E-01 6177 0.920E-01 0.743E-01 RMM: 3 -0.349258157486E+03 0.66958E-02 -0.10438E-02 5440 0.218E-01 0.293E-01 RMM: 4 -0.349258940470E+03 -0.78298E-03 -0.18798E-03 4835 0.998E-02 0.463E-01 RMM: 5 -0.349257562091E+03 0.13784E-02 -0.68262E-04 4598 0.664E-02 0.128E-01 RMM: 6 -0.349257499042E+03 0.63049E-04 -0.17072E-04 3893 0.330E-02 0.906E-02 RMM: 7 -0.349257525340E+03 -0.26298E-04 -0.77882E-05 3622 0.235E-02 0.112E-01 RMM: 8 -0.349257446713E+03 0.78627E-04 -0.40397E-05 3104 0.190E-02 0.312E-02 RMM: 9 -0.349257456512E+03 -0.97984E-05 -0.18642E-05 2529 0.121E-02 6104 T= 6813. E= 0.68767253E+03 F= 0.63130989E+03 E0= 0.66102140E+03 EK= 0.56363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349141185221E+03 0.11626E+00 -0.46622E-01 8724 0.240E+01 0.341E-01 RMM: 2 -0.349168249271E+03 -0.27064E-01 -0.25728E-01 6375 0.919E-01 0.789E-01 RMM: 3 -0.349161152249E+03 0.70970E-02 -0.95632E-03 5408 0.213E-01 0.260E-01 RMM: 4 -0.349161860746E+03 -0.70850E-03 -0.18497E-03 4827 0.997E-02 0.435E-01 RMM: 5 -0.349160654825E+03 0.12059E-02 -0.68795E-04 4577 0.676E-02 0.118E-01 RMM: 6 -0.349160626299E+03 0.28526E-04 -0.15206E-04 3887 0.307E-02 0.105E-01 RMM: 7 -0.349160636147E+03 -0.98480E-05 -0.87586E-05 3734 0.251E-02 6105 T= 6825. E= 0.68818608E+03 F= 0.63172198E+03 E0= 0.66145963E+03 EK= 0.56464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348892453692E+03 0.26817E+00 -0.45347E-01 8796 0.239E+01 0.335E-01 RMM: 2 -0.348916747354E+03 -0.24294E-01 -0.24115E-01 6623 0.889E-01 0.660E-01 RMM: 3 -0.348911519681E+03 0.52277E-02 -0.76658E-03 5384 0.196E-01 0.302E-01 RMM: 4 -0.348912087104E+03 -0.56742E-03 -0.16782E-03 4766 0.966E-02 0.431E-01 RMM: 5 -0.348910856048E+03 0.12311E-02 -0.73455E-04 4572 0.697E-02 0.103E-01 RMM: 6 -0.348910968277E+03 -0.11223E-03 -0.23868E-04 3899 0.390E-02 0.167E-01 RMM: 7 -0.348910848227E+03 0.12005E-03 -0.10296E-04 3829 0.288E-02 0.995E-02 RMM: 8 -0.348910788503E+03 0.59724E-04 -0.34702E-05 3040 0.170E-02 0.330E-02 RMM: 9 -0.348910807841E+03 -0.19337E-04 -0.20857E-05 2567 0.129E-02 6106 T= 6665. E= 0.68742854E+03 F= 0.63228697E+03 E0= 0.66204545E+03 EK= 0.55142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348543649181E+03 0.36714E+00 -0.42076E-01 8844 0.236E+01 0.316E-01 RMM: 2 -0.348567720940E+03 -0.24072E-01 -0.23100E-01 6219 0.896E-01 0.731E-01 RMM: 3 -0.348561703042E+03 0.60179E-02 -0.90228E-03 5489 0.206E-01 0.236E-01 RMM: 4 -0.348562304529E+03 -0.60149E-03 -0.14955E-03 4755 0.916E-02 0.405E-01 RMM: 5 -0.348561268428E+03 0.10361E-02 -0.59999E-04 4563 0.635E-02 0.123E-01 RMM: 6 -0.348561250529E+03 0.17899E-04 -0.20411E-04 3896 0.360E-02 0.116E-01 RMM: 7 -0.348561239768E+03 0.10761E-04 -0.75248E-05 3573 0.245E-02 6107 T= 6404. E= 0.68592966E+03 F= 0.63295448E+03 E0= 0.66272502E+03 EK= 0.52975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348164890201E+03 0.39636E+00 -0.36827E-01 8784 0.232E+01 0.330E-01 RMM: 2 -0.348185704099E+03 -0.20814E-01 -0.20229E-01 6246 0.848E-01 0.699E-01 RMM: 3 -0.348180540376E+03 0.51637E-02 -0.78939E-03 5460 0.191E-01 0.275E-01 RMM: 4 -0.348181045507E+03 -0.50513E-03 -0.16431E-03 4758 0.979E-02 0.417E-01 RMM: 5 -0.348179880834E+03 0.11647E-02 -0.80222E-04 4584 0.728E-02 0.102E-01 RMM: 6 -0.348180106971E+03 -0.22614E-03 -0.31311E-04 3916 0.447E-02 0.212E-01 RMM: 7 -0.348179867347E+03 0.23962E-03 -0.13072E-04 3865 0.335E-02 0.947E-02 RMM: 8 -0.348179814076E+03 0.53272E-04 -0.37424E-05 3074 0.172E-02 0.344E-02 RMM: 9 -0.348179837239E+03 -0.23164E-04 -0.23034E-05 2597 0.136E-02 0.623E-02 RMM: 10 -0.348179818414E+03 0.18825E-04 -0.16567E-05 2513 0.132E-02 6108 T= 6144. E= 0.68448230E+03 F= 0.63365772E+03 E0= 0.66343229E+03 EK= 0.50825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347821905745E+03 0.35793E+00 -0.31417E-01 8760 0.230E+01 0.279E-01 RMM: 2 -0.347840481777E+03 -0.18576E-01 -0.18791E-01 5767 0.840E-01 0.555E-01 RMM: 3 -0.347836523059E+03 0.39587E-02 -0.95509E-03 5626 0.198E-01 0.229E-01 RMM: 4 -0.347836758196E+03 -0.23514E-03 -0.12276E-03 4715 0.848E-02 0.344E-01 RMM: 5 -0.347836005208E+03 0.75299E-03 -0.53425E-04 4531 0.605E-02 0.104E-01 RMM: 6 -0.347836073247E+03 -0.68038E-04 -0.21371E-04 3896 0.367E-02 0.149E-01 RMM: 7 -0.347835965721E+03 0.10753E-03 -0.84807E-05 3666 0.280E-02 0.763E-02 RMM: 8 -0.347835928627E+03 0.37094E-04 -0.19826E-05 2596 0.134E-02 0.241E-02 RMM: 9 -0.347835935938E+03 -0.73117E-05 -0.12445E-05 2466 0.985E-03 6109 T= 5977. E= 0.68377477E+03 F= 0.63432619E+03 E0= 0.66409684E+03 EK= 0.49449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347580617261E+03 0.25531E+00 -0.26575E-01 8832 0.229E+01 0.313E-01 RMM: 2 -0.347597681823E+03 -0.17065E-01 -0.15832E-01 5722 0.779E-01 0.753E-01 RMM: 3 -0.347592227804E+03 0.54540E-02 -0.87353E-03 5579 0.194E-01 0.240E-01 RMM: 4 -0.347592677835E+03 -0.45003E-03 -0.14686E-03 4713 0.926E-02 0.387E-01 RMM: 5 -0.347591720607E+03 0.95723E-03 -0.66052E-04 4560 0.667E-02 0.132E-01 RMM: 6 -0.347591720931E+03 -0.32386E-06 -0.25084E-04 3906 0.403E-02 0.136E-01 RMM: 7 -0.347591679943E+03 0.40988E-04 -0.10095E-04 3788 0.292E-02 0.115E-01 RMM: 8 -0.347591597497E+03 0.82445E-04 -0.37752E-05 3103 0.182E-02 0.302E-02 RMM: 9 -0.347591607725E+03 -0.10228E-04 -0.17298E-05 2513 0.115E-02 6110 T= 5960. E= 0.68419777E+03 F= 0.63489488E+03 E0= 0.66465548E+03 EK= 0.49303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347485834489E+03 0.10576E+00 -0.23976E-01 8700 0.231E+01 0.306E-01 RMM: 2 -0.347503280408E+03 -0.17446E-01 -0.15235E-01 5400 0.801E-01 0.846E-01 RMM: 3 -0.347497238039E+03 0.60424E-02 -0.10768E-02 5732 0.205E-01 0.200E-01 RMM: 4 -0.347497650071E+03 -0.41203E-03 -0.14417E-03 4792 0.927E-02 0.367E-01 RMM: 5 -0.347496800007E+03 0.85006E-03 -0.58804E-04 4550 0.632E-02 0.123E-01 RMM: 6 -0.347496816512E+03 -0.16505E-04 -0.19398E-04 3886 0.348E-02 6111 T= 6103. E= 0.68580165E+03 F= 0.63531009E+03 E0= 0.66505708E+03 EK= 0.50492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347577286790E+03 -0.80487E-01 -0.21843E-01 8664 0.236E+01 0.488E-01 RMM: 2 -0.347622890863E+03 -0.45604E-01 -0.13365E-01 5242 0.812E-01 0.235E+00 RMM: 3 -0.347585744179E+03 0.37147E-01 -0.19833E-02 5336 0.340E-01 0.404E-01 RMM: 4 -0.347585217232E+03 0.52695E-03 -0.29551E-03 5208 0.116E-01 0.324E-01 RMM: 5 -0.347585024400E+03 0.19283E-03 -0.83701E-04 4594 0.711E-02 0.302E-01 RMM: 6 -0.347584464220E+03 0.56018E-03 -0.45408E-04 4147 0.555E-02 0.103E-01 RMM: 7 -0.347584592216E+03 -0.12800E-03 -0.19838E-04 3899 0.372E-02 0.169E-01 RMM: 8 -0.347584417777E+03 0.17444E-03 -0.88774E-05 3714 0.276E-02 0.603E-02 RMM: 9 -0.347584402466E+03 0.15312E-04 -0.23860E-05 2762 0.141E-02 6112 T= 6375. E= 0.68827532E+03 F= 0.63553592E+03 E0= 0.66526940E+03 EK= 0.52739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347858271149E+03 -0.27385E+00 -0.21466E-01 8052 0.242E+01 0.445E-01 RMM: 2 -0.347902976343E+03 -0.44705E-01 -0.13830E-01 5006 0.837E-01 0.226E+00 RMM: 3 -0.347867822617E+03 0.35154E-01 -0.20511E-02 5339 0.343E-01 0.425E-01 RMM: 4 -0.347867035876E+03 0.78674E-03 -0.32825E-03 5296 0.125E-01 0.279E-01 RMM: 5 -0.347866975395E+03 0.60480E-04 -0.63684E-04 4603 0.624E-02 0.279E-01 RMM: 6 -0.347866462470E+03 0.51293E-03 -0.26442E-04 3891 0.426E-02 0.588E-02 RMM: 7 -0.347866510905E+03 -0.48435E-04 -0.90207E-05 3652 0.242E-02 0.109E-01 RMM: 8 -0.347866440415E+03 0.70489E-04 -0.49126E-05 3223 0.219E-02 0.393E-02 RMM: 9 -0.347866433018E+03 0.73973E-05 -0.10446E-05 2485 0.956E-03 6113 T= 6693. E= 0.69092731E+03 F= 0.63555919E+03 E0= 0.66528097E+03 EK= 0.55368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348317995431E+03 -0.45156E+00 -0.20005E-01 8004 0.247E+01 0.376E-01 RMM: 2 -0.348339509098E+03 -0.21514E-01 -0.11401E-01 4944 0.781E-01 0.142E+00 RMM: 3 -0.348325922670E+03 0.13586E-01 -0.13420E-02 5369 0.260E-01 0.289E-01 RMM: 4 -0.348326367176E+03 -0.44451E-03 -0.23017E-03 5137 0.109E-01 0.402E-01 RMM: 5 -0.348325415280E+03 0.95190E-03 -0.63340E-04 4580 0.644E-02 0.171E-01 RMM: 6 -0.348325247234E+03 0.16805E-03 -0.16287E-04 3881 0.327E-02 0.784E-02 RMM: 7 -0.348325304873E+03 -0.57639E-04 -0.11559E-04 3860 0.284E-02 0.126E-01 RMM: 8 -0.348325204075E+03 0.10080E-03 -0.55805E-05 3338 0.221E-02 0.315E-02 RMM: 9 -0.348325207661E+03 -0.35865E-05 -0.14621E-05 2507 0.108E-02 6114 T= 6939. E= 0.69279939E+03 F= 0.63539890E+03 E0= 0.66511411E+03 EK= 0.57400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348904597930E+03 -0.57939E+00 -0.20435E-01 7836 0.250E+01 0.351E-01 RMM: 2 -0.348920881370E+03 -0.16283E-01 -0.10822E-01 4893 0.782E-01 0.115E+00 RMM: 3 -0.348911927138E+03 0.89542E-02 -0.12437E-02 5383 0.247E-01 0.219E-01 RMM: 4 -0.348912813601E+03 -0.88646E-03 -0.18822E-03 5062 0.101E-01 0.438E-01 RMM: 5 -0.348911616933E+03 0.11967E-02 -0.58408E-04 4558 0.612E-02 0.142E-01 RMM: 6 -0.348911515391E+03 0.10154E-03 -0.16441E-04 3877 0.330E-02 0.732E-02 RMM: 7 -0.348911565819E+03 -0.50428E-04 -0.64114E-05 3450 0.219E-02 0.116E-01 RMM: 8 -0.348911481711E+03 0.84108E-04 -0.36602E-05 3049 0.188E-02 0.248E-02 RMM: 9 -0.348911487852E+03 -0.61409E-05 -0.12793E-05 2485 0.100E-02 6115 T= 7003. E= 0.69304480E+03 F= 0.63510771E+03 E0= 0.66482330E+03 EK= 0.57937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349548555250E+03 -0.63707E+00 -0.20022E-01 7644 0.250E+01 0.324E-01 RMM: 2 -0.349561016001E+03 -0.12461E-01 -0.10535E-01 4876 0.760E-01 0.849E-01 RMM: 3 -0.349556041343E+03 0.49747E-02 -0.11114E-02 5488 0.216E-01 0.245E-01 RMM: 4 -0.349556710396E+03 -0.66905E-03 -0.17812E-03 5062 0.102E-01 0.423E-01 RMM: 5 -0.349555591257E+03 0.11191E-02 -0.67347E-04 4589 0.684E-02 0.133E-01 RMM: 6 -0.349555497696E+03 0.93561E-04 -0.11993E-04 3842 0.278E-02 0.678E-02 RMM: 7 -0.349555520529E+03 -0.22832E-04 -0.64690E-05 3444 0.221E-02 0.937E-02 RMM: 8 -0.349555467634E+03 0.52894E-04 -0.34423E-05 3042 0.185E-02 0.272E-02 RMM: 9 -0.349555472710E+03 -0.50755E-05 -0.11020E-05 2481 0.927E-03 6116 T= 6851. E= 0.69143462E+03 F= 0.63475994E+03 E0= 0.66448427E+03 EK= 0.56675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350185261626E+03 -0.62979E+00 -0.19164E-01 7812 0.247E+01 0.334E-01 RMM: 2 -0.350198946704E+03 -0.13685E-01 -0.10765E-01 4881 0.762E-01 0.957E-01 RMM: 3 -0.350192685462E+03 0.62612E-02 -0.11656E-02 5449 0.227E-01 0.228E-01 RMM: 4 -0.350193599990E+03 -0.91453E-03 -0.17556E-03 5003 0.100E-01 0.451E-01 RMM: 5 -0.350192320564E+03 0.12794E-02 -0.60904E-04 4567 0.633E-02 0.141E-01 RMM: 6 -0.350192222579E+03 0.97984E-04 -0.16716E-04 3880 0.332E-02 0.769E-02 RMM: 7 -0.350192255658E+03 -0.33079E-04 -0.63012E-05 3434 0.224E-02 0.107E-01 RMM: 8 -0.350192186240E+03 0.69419E-04 -0.31611E-05 2969 0.176E-02 0.279E-02 RMM: 9 -0.350192191057E+03 -0.48169E-05 -0.13054E-05 2484 0.101E-02 6117 T= 6541. E= 0.68853828E+03 F= 0.63442468E+03 E0= 0.66416657E+03 EK= 0.54114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350772454763E+03 -0.58027E+00 -0.18218E-01 7956 0.241E+01 0.322E-01 RMM: 2 -0.350784676057E+03 -0.12221E-01 -0.10302E-01 4920 0.740E-01 0.850E-01 RMM: 3 -0.350779595581E+03 0.50805E-02 -0.10726E-02 5550 0.215E-01 0.234E-01 RMM: 4 -0.350780309893E+03 -0.71431E-03 -0.17693E-03 5061 0.103E-01 0.424E-01 RMM: 5 -0.350779191944E+03 0.11179E-02 -0.66788E-04 4597 0.681E-02 0.135E-01 RMM: 6 -0.350779106643E+03 0.85301E-04 -0.13927E-04 3870 0.299E-02 0.813E-02 RMM: 7 -0.350779137302E+03 -0.30658E-04 -0.73149E-05 3542 0.239E-02 0.108E-01 RMM: 8 -0.350779065675E+03 0.71627E-04 -0.37473E-05 3090 0.190E-02 0.257E-02 RMM: 9 -0.350779074408E+03 -0.87334E-05 -0.13398E-05 2493 0.101E-02 6118 T= 6193. E= 0.68538361E+03 F= 0.63414689E+03 E0= 0.66391382E+03 EK= 0.51237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351295559092E+03 -0.51649E+00 -0.17331E-01 7968 0.236E+01 0.327E-01 RMM: 2 -0.351308378857E+03 -0.12820E-01 -0.94755E-02 4967 0.701E-01 0.973E-01 RMM: 3 -0.351301861211E+03 0.65176E-02 -0.97175E-03 5510 0.210E-01 0.223E-01 RMM: 4 -0.351302708628E+03 -0.84742E-03 -0.17687E-03 4967 0.103E-01 0.437E-01 RMM: 5 -0.351301499249E+03 0.12094E-02 -0.65804E-04 4590 0.668E-02 0.129E-01 RMM: 6 -0.351301443568E+03 0.55681E-04 -0.17416E-04 3882 0.336E-02 0.967E-02 RMM: 7 -0.351301465698E+03 -0.22130E-04 -0.71220E-05 3547 0.244E-02 0.113E-01 RMM: 8 -0.351301385892E+03 0.79806E-04 -0.34037E-05 3026 0.179E-02 0.282E-02 RMM: 9 -0.351301391880E+03 -0.59883E-05 -0.13660E-05 2487 0.103E-02 6119 T= 5923. E= 0.68293798E+03 F= 0.63394102E+03 E0= 0.66373847E+03 EK= 0.48997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351756659548E+03 -0.45527E+00 -0.17316E-01 8160 0.232E+01 0.321E-01 RMM: 2 -0.351768133122E+03 -0.11474E-01 -0.92803E-02 5095 0.688E-01 0.876E-01 RMM: 3 -0.351762899788E+03 0.52333E-02 -0.95108E-03 5576 0.201E-01 0.225E-01 RMM: 4 -0.351763652338E+03 -0.75255E-03 -0.16751E-03 4869 0.101E-01 0.424E-01 RMM: 5 -0.351762525734E+03 0.11266E-02 -0.62088E-04 4592 0.645E-02 0.135E-01 RMM: 6 -0.351762450287E+03 0.75447E-04 -0.15135E-04 3879 0.311E-02 0.884E-02 RMM: 7 -0.351762478736E+03 -0.28449E-04 -0.77038E-05 3580 0.246E-02 0.112E-01 RMM: 8 -0.351762401426E+03 0.77310E-04 -0.39124E-05 3135 0.191E-02 0.264E-02 RMM: 9 -0.351762410048E+03 -0.86219E-05 -0.14761E-05 2495 0.106E-02 6120 T= 5804. E= 0.68181685E+03 F= 0.63380085E+03 E0= 0.66363180E+03 EK= 0.48016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352161107461E+03 -0.39871E+00 -0.17584E-01 8352 0.232E+01 0.314E-01 RMM: 2 -0.352171768711E+03 -0.10661E-01 -0.91261E-02 5199 0.671E-01 0.812E-01 RMM: 3 -0.352167136411E+03 0.46323E-02 -0.84255E-03 5589 0.188E-01 0.223E-01 RMM: 4 -0.352167949414E+03 -0.81300E-03 -0.15839E-03 4769 0.987E-02 0.433E-01 RMM: 5 -0.352166732972E+03 0.12164E-02 -0.63690E-04 4560 0.651E-02 0.105E-01 RMM: 6 -0.352166721854E+03 0.11118E-04 -0.13982E-04 3879 0.298E-02 6121 T= 5867. E= 0.68225009E+03 F= 0.63371708E+03 E0= 0.66358184E+03 EK= 0.48533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352505623165E+03 -0.33889E+00 -0.18518E-01 8484 0.234E+01 0.429E-01 RMM: 2 -0.352535278364E+03 -0.29655E-01 -0.10079E-01 5172 0.716E-01 0.188E+00 RMM: 3 -0.352511635278E+03 0.23643E-01 -0.14641E-02 5341 0.286E-01 0.321E-01 RMM: 4 -0.352511829296E+03 -0.19402E-03 -0.24153E-03 4994 0.109E-01 0.376E-01 RMM: 5 -0.352511196350E+03 0.63295E-03 -0.67726E-04 4591 0.640E-02 0.242E-01 RMM: 6 -0.352510841924E+03 0.35443E-03 -0.30332E-04 3905 0.456E-02 0.867E-02 RMM: 7 -0.352510943859E+03 -0.10193E-03 -0.13140E-04 3875 0.303E-02 0.152E-01 RMM: 8 -0.352510809863E+03 0.13400E-03 -0.68957E-05 3524 0.244E-02 0.508E-02 RMM: 9 -0.352510801833E+03 0.80300E-05 -0.19162E-05 2573 0.127E-02 6122 T= 6095. E= 0.68411387E+03 F= 0.63368835E+03 E0= 0.66358750E+03 EK= 0.50426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352781117793E+03 -0.27031E+00 -0.19004E-01 8436 0.239E+01 0.404E-01 RMM: 2 -0.352811422972E+03 -0.30305E-01 -0.10297E-01 5251 0.712E-01 0.188E+00 RMM: 3 -0.352787409981E+03 0.24013E-01 -0.14089E-02 5348 0.283E-01 0.353E-01 RMM: 4 -0.352787195247E+03 0.21473E-03 -0.26522E-03 5025 0.115E-01 0.324E-01 RMM: 5 -0.352786800631E+03 0.39462E-03 -0.57415E-04 4585 0.624E-02 0.228E-01 RMM: 6 -0.352786460674E+03 0.33996E-03 -0.17219E-04 3879 0.343E-02 0.516E-02 RMM: 7 -0.352786484093E+03 -0.23420E-04 -0.55028E-05 3325 0.197E-02 0.833E-02 RMM: 8 -0.352786445659E+03 0.38435E-04 -0.34302E-05 2902 0.186E-02 0.369E-02 RMM: 9 -0.352786439986E+03 0.56727E-05 -0.11080E-05 2477 0.976E-03 6123 T= 6430. E= 0.68691116E+03 F= 0.63371953E+03 E0= 0.66364940E+03 EK= 0.53192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352983100628E+03 -0.19665E+00 -0.20173E-01 8580 0.244E+01 0.374E-01 RMM: 2 -0.353005937590E+03 -0.22837E-01 -0.10950E-01 5303 0.728E-01 0.152E+00 RMM: 3 -0.352990108062E+03 0.15830E-01 -0.11264E-02 5370 0.240E-01 0.265E-01 RMM: 4 -0.352990627793E+03 -0.51973E-03 -0.22197E-03 4896 0.109E-01 0.399E-01 RMM: 5 -0.352989749636E+03 0.87816E-03 -0.60157E-04 4548 0.626E-02 0.189E-01 RMM: 6 -0.352989527775E+03 0.22186E-03 -0.16308E-04 3881 0.328E-02 0.657E-02 RMM: 7 -0.352989591333E+03 -0.63558E-04 -0.10588E-04 3829 0.271E-02 0.122E-01 RMM: 8 -0.352989499841E+03 0.91492E-04 -0.52467E-05 3290 0.215E-02 0.345E-02 RMM: 9 -0.352989499999E+03 -0.15798E-06 -0.12856E-05 2504 0.101E-02 6124 T= 6764. E= 0.68976845E+03 F= 0.63381391E+03 E0= 0.66377136E+03 EK= 0.55955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353128157291E+03 -0.13866E+00 -0.21290E-01 8520 0.247E+01 0.339E-01 RMM: 2 -0.353144695662E+03 -0.16538E-01 -0.12008E-01 5284 0.756E-01 0.109E+00 RMM: 3 -0.353136209628E+03 0.84860E-02 -0.10601E-02 5442 0.225E-01 0.213E-01 RMM: 4 -0.353137008756E+03 -0.79913E-03 -0.16695E-03 4763 0.951E-02 0.420E-01 RMM: 5 -0.353135922031E+03 0.10867E-02 -0.53763E-04 4524 0.586E-02 0.143E-01 RMM: 6 -0.353135809500E+03 0.11253E-03 -0.14618E-04 3874 0.308E-02 0.679E-02 RMM: 7 -0.353135867605E+03 -0.58105E-04 -0.66045E-05 3486 0.223E-02 0.116E-01 RMM: 8 -0.353135783137E+03 0.84468E-04 -0.37807E-05 3070 0.191E-02 0.261E-02 RMM: 9 -0.353135789794E+03 -0.66570E-05 -0.14972E-05 2498 0.108E-02 6125 T= 6972. E= 0.69163554E+03 F= 0.63395752E+03 E0= 0.66393902E+03 EK= 0.57678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353263915306E+03 -0.12813E+00 -0.21636E-01 8472 0.247E+01 0.311E-01 RMM: 2 -0.353278545723E+03 -0.14630E-01 -0.12133E-01 5286 0.749E-01 0.887E-01 RMM: 3 -0.353272518272E+03 0.60275E-02 -0.95685E-03 5655 0.203E-01 0.232E-01 RMM: 4 -0.353273001165E+03 -0.48289E-03 -0.15622E-03 4760 0.949E-02 0.380E-01 RMM: 5 -0.353272124314E+03 0.87685E-03 -0.56848E-04 4528 0.619E-02 0.135E-01 RMM: 6 -0.353272036802E+03 0.87512E-04 -0.13645E-04 3877 0.300E-02 0.791E-02 RMM: 7 -0.353272075068E+03 -0.38267E-04 -0.74147E-05 3564 0.236E-02 0.111E-01 RMM: 8 -0.353271999093E+03 0.75975E-04 -0.39971E-05 3122 0.196E-02 0.295E-02 RMM: 9 -0.353272001467E+03 -0.23743E-05 -0.11938E-05 2484 0.961E-03 6126 T= 6970. E= 0.69176594E+03 F= 0.63410745E+03 E0= 0.66411019E+03 EK= 0.57658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353462285900E+03 -0.19029E+00 -0.21322E-01 8424 0.244E+01 0.298E-01 RMM: 2 -0.353477378010E+03 -0.15092E-01 -0.12959E-01 5168 0.791E-01 0.842E-01 RMM: 3 -0.353471958867E+03 0.54191E-02 -0.11144E-02 5693 0.214E-01 0.211E-01 RMM: 4 -0.353472446163E+03 -0.48730E-03 -0.13416E-03 4794 0.882E-02 0.375E-01 RMM: 5 -0.353471584130E+03 0.86203E-03 -0.52641E-04 4534 0.600E-02 0.138E-01 RMM: 6 -0.353471509295E+03 0.74835E-04 -0.18375E-04 3892 0.349E-02 0.929E-02 RMM: 7 -0.353471535011E+03 -0.25717E-04 -0.73232E-05 3542 0.246E-02 0.112E-01 RMM: 8 -0.353471457493E+03 0.77518E-04 -0.36727E-05 3092 0.185E-02 0.290E-02 RMM: 9 -0.353471462047E+03 -0.45537E-05 -0.12354E-05 2485 0.987E-03 6127 T= 6765. E= 0.69016320E+03 F= 0.63419472E+03 E0= 0.66421633E+03 EK= 0.55968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353801587116E+03 -0.33013E+00 -0.19554E-01 8412 0.238E+01 0.281E-01 RMM: 2 -0.353815300588E+03 -0.13713E-01 -0.11686E-01 5129 0.751E-01 0.802E-01 RMM: 3 -0.353810264826E+03 0.50358E-02 -0.97214E-03 5625 0.203E-01 0.217E-01 RMM: 4 -0.353810576079E+03 -0.31125E-03 -0.13625E-03 4832 0.912E-02 0.335E-01 RMM: 5 -0.353809915763E+03 0.66032E-03 -0.54303E-04 4562 0.615E-02 0.143E-01 RMM: 6 -0.353809841308E+03 0.74456E-04 -0.17675E-04 3890 0.344E-02 0.101E-01 RMM: 7 -0.353809861283E+03 -0.19976E-04 -0.84570E-05 3626 0.265E-02 6128 T= 6455. E= 0.68755009E+03 F= 0.63414714E+03 E0= 0.66418634E+03 EK= 0.53403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354330481855E+03 -0.52064E+00 -0.17784E-01 8376 0.232E+01 0.301E-01 RMM: 2 -0.354341326309E+03 -0.10844E-01 -0.98996E-02 5299 0.681E-01 0.704E-01 RMM: 3 -0.354337342495E+03 0.39838E-02 -0.74182E-03 5584 0.181E-01 0.230E-01 RMM: 4 -0.354337905994E+03 -0.56350E-03 -0.13499E-03 4713 0.909E-02 0.398E-01 RMM: 5 -0.354336921866E+03 0.98413E-03 -0.69100E-04 4591 0.698E-02 0.126E-01 RMM: 6 -0.354336970315E+03 -0.48450E-04 -0.22729E-04 3894 0.384E-02 0.154E-01 RMM: 7 -0.354336877987E+03 0.92329E-04 -0.94154E-05 3755 0.297E-02 0.967E-02 RMM: 8 -0.354336822418E+03 0.55568E-04 -0.34082E-05 3026 0.174E-02 0.327E-02 RMM: 9 -0.354336844859E+03 -0.22441E-04 -0.20732E-05 2554 0.128E-02 0.605E-02 RMM: 10 -0.354336830780E+03 0.14080E-04 -0.15438E-05 2503 0.126E-02 6129 T= 6163. E= 0.68489943E+03 F= 0.63391662E+03 E0= 0.66397222E+03 EK= 0.50983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355053131961E+03 -0.71629E+00 -0.17299E-01 8124 0.228E+01 0.254E-01 RMM: 2 -0.355062978939E+03 -0.98470E-02 -0.97310E-02 5036 0.692E-01 0.575E-01 RMM: 3 -0.355060317344E+03 0.26616E-02 -0.86610E-03 5724 0.188E-01 0.198E-01 RMM: 4 -0.355060647144E+03 -0.32980E-03 -0.10095E-03 4677 0.776E-02 0.329E-01 RMM: 5 -0.355059974923E+03 0.67222E-03 -0.45044E-04 4522 0.570E-02 0.119E-01 RMM: 6 -0.355059926795E+03 0.48127E-04 -0.15886E-04 3891 0.326E-02 0.859E-02 RMM: 7 -0.355059902338E+03 0.24458E-04 -0.42580E-05 3147 0.208E-02 0.634E-02 RMM: 8 -0.355059878338E+03 0.23999E-04 -0.15466E-05 2530 0.125E-02 0.179E-02 RMM: 9 -0.355059882791E+03 -0.44521E-05 -0.56614E-06 2443 0.672E-03 6130 T= 5983. E= 0.68298641E+03 F= 0.63349478E+03 E0= 0.66356542E+03 EK= 0.49492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355935769179E+03 -0.87589E+00 -0.16793E-01 8088 0.226E+01 0.305E-01 RMM: 2 -0.355943864870E+03 -0.80957E-02 -0.81439E-02 5237 0.630E-01 0.611E-01 RMM: 3 -0.355941132130E+03 0.27327E-02 -0.67357E-03 5664 0.168E-01 0.242E-01 RMM: 4 -0.355941753671E+03 -0.62154E-03 -0.12226E-03 4677 0.861E-02 0.416E-01 RMM: 5 -0.355940635433E+03 0.11182E-02 -0.62554E-04 4571 0.655E-02 0.107E-01 RMM: 6 -0.355940640397E+03 -0.49640E-05 -0.17220E-04 3892 0.335E-02 6131 T= 5959. E= 0.68221422E+03 F= 0.63291719E+03 E0= 0.66300005E+03 EK= 0.49297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356894222823E+03 -0.95359E+00 -0.16895E-01 7944 0.228E+01 0.405E-01 RMM: 2 -0.356921671484E+03 -0.27449E-01 -0.96619E-02 5011 0.720E-01 0.178E+00 RMM: 3 -0.356900375045E+03 0.21296E-01 -0.13193E-02 5360 0.270E-01 0.330E-01 RMM: 4 -0.356900455137E+03 -0.80092E-04 -0.24694E-03 5135 0.113E-01 0.366E-01 RMM: 5 -0.356899797449E+03 0.65769E-03 -0.70846E-04 4592 0.678E-02 0.200E-01 RMM: 6 -0.356899581411E+03 0.21604E-03 -0.22194E-04 3901 0.385E-02 0.938E-02 RMM: 7 -0.356899661400E+03 -0.79989E-04 -0.13313E-04 3882 0.306E-02 0.143E-01 RMM: 8 -0.356899536846E+03 0.12455E-03 -0.67090E-05 3463 0.242E-02 0.397E-02 RMM: 9 -0.356899540518E+03 -0.36721E-05 -0.18122E-05 2558 0.122E-02 6132 T= 6087. E= 0.68261928E+03 F= 0.63225974E+03 E0= 0.66235228E+03 EK= 0.50360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357824199143E+03 -0.92466E+00 -0.17105E-01 7932 0.233E+01 0.396E-01 RMM: 2 -0.357856531688E+03 -0.32333E-01 -0.10072E-01 5033 0.737E-01 0.196E+00 RMM: 3 -0.357830334938E+03 0.26197E-01 -0.14136E-02 5380 0.283E-01 0.291E-01 RMM: 4 -0.357830580476E+03 -0.24554E-03 -0.27206E-03 5206 0.119E-01 0.366E-01 RMM: 5 -0.357829993997E+03 0.58648E-03 -0.62363E-04 4571 0.633E-02 0.224E-01 RMM: 6 -0.357829665674E+03 0.32832E-03 -0.18754E-04 3886 0.359E-02 0.475E-02 RMM: 7 -0.357829700839E+03 -0.35165E-04 -0.56775E-05 3341 0.202E-02 0.913E-02 RMM: 8 -0.357829649616E+03 0.51223E-04 -0.29254E-05 2837 0.176E-02 0.282E-02 RMM: 9 -0.357829648430E+03 0.11854E-05 -0.92134E-06 2462 0.865E-03 6133 T= 6319. E= 0.68390294E+03 F= 0.63162625E+03 E0= 0.66172452E+03 EK= 0.52277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358605672098E+03 -0.77602E+00 -0.18056E-01 7932 0.238E+01 0.372E-01 RMM: 2 -0.358625165322E+03 -0.19493E-01 -0.11726E-01 4947 0.798E-01 0.131E+00 RMM: 3 -0.358613752666E+03 0.11413E-01 -0.13386E-02 5442 0.253E-01 0.287E-01 RMM: 4 -0.358614293702E+03 -0.54104E-03 -0.22225E-03 5042 0.109E-01 0.422E-01 RMM: 5 -0.358613231077E+03 0.10626E-02 -0.65049E-04 4575 0.645E-02 0.161E-01 RMM: 6 -0.358613078147E+03 0.15293E-03 -0.14177E-04 3871 0.298E-02 0.670E-02 RMM: 7 -0.358613128127E+03 -0.49980E-04 -0.84757E-05 3685 0.242E-02 0.115E-01 RMM: 8 -0.358613045530E+03 0.82597E-04 -0.41930E-05 3156 0.198E-02 0.298E-02 RMM: 9 -0.358613052841E+03 -0.73107E-05 -0.16740E-05 2514 0.115E-02 6134 T= 6569. E= 0.68547434E+03 F= 0.63113308E+03 E0= 0.66123354E+03 EK= 0.54341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359134371668E+03 -0.52133E+00 -0.18699E-01 8028 0.242E+01 0.332E-01 RMM: 2 -0.359150458054E+03 -0.16086E-01 -0.12715E-01 5029 0.802E-01 0.988E-01 RMM: 3 -0.359143633760E+03 0.68243E-02 -0.13184E-02 5712 0.221E-01 0.213E-01 RMM: 4 -0.359144284873E+03 -0.65111E-03 -0.17473E-03 4917 0.100E-01 0.423E-01 RMM: 5 -0.359143193047E+03 0.10918E-02 -0.62689E-04 4588 0.650E-02 0.138E-01 RMM: 6 -0.359143094051E+03 0.98996E-04 -0.13722E-04 3870 0.293E-02 0.721E-02 RMM: 7 -0.359143135078E+03 -0.41027E-04 -0.71332E-05 3525 0.231E-02 0.109E-01 RMM: 8 -0.359143061201E+03 0.73877E-04 -0.39365E-05 3132 0.191E-02 0.221E-02 RMM: 9 -0.359143074867E+03 -0.13666E-04 -0.14597E-05 2504 0.106E-02 6135 T= 6736. E= 0.68660845E+03 F= 0.63088730E+03 E0= 0.66098702E+03 EK= 0.55721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359346441697E+03 -0.20338E+00 -0.20321E-01 7872 0.243E+01 0.304E-01 RMM: 2 -0.359362938407E+03 -0.16497E-01 -0.14815E-01 4891 0.861E-01 0.815E-01 RMM: 3 -0.359358046646E+03 0.48918E-02 -0.15039E-02 5815 0.229E-01 0.223E-01 RMM: 4 -0.359358515853E+03 -0.46921E-03 -0.15669E-03 4917 0.966E-02 0.404E-01 RMM: 5 -0.359357478373E+03 0.10375E-02 -0.59838E-04 4565 0.634E-02 0.106E-01 RMM: 6 -0.359357456202E+03 0.22171E-04 -0.12339E-04 3839 0.281E-02 0.930E-02 RMM: 7 -0.359357459133E+03 -0.29310E-05 -0.60602E-05 3428 0.218E-02 6136 T= 6747. E= 0.68676621E+03 F= 0.63095312E+03 E0= 0.66105024E+03 EK= 0.55813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359250091092E+03 0.10737E+00 -0.18771E-01 7800 0.241E+01 0.297E-01 RMM: 2 -0.359263416036E+03 -0.13325E-01 -0.11489E-01 5084 0.759E-01 0.814E-01 RMM: 3 -0.359258666786E+03 0.47493E-02 -0.10607E-02 5747 0.203E-01 0.215E-01 RMM: 4 -0.359259070029E+03 -0.40324E-03 -0.13542E-03 4793 0.909E-02 0.368E-01 RMM: 5 -0.359258200302E+03 0.86973E-03 -0.52566E-04 4549 0.596E-02 0.113E-01 RMM: 6 -0.359258243802E+03 -0.43500E-04 -0.17389E-04 3880 0.336E-02 0.141E-01 RMM: 7 -0.359258175231E+03 0.68571E-04 -0.86514E-05 3696 0.266E-02 0.975E-02 RMM: 8 -0.359258117924E+03 0.57307E-04 -0.36482E-05 3105 0.178E-02 0.271E-02 RMM: 9 -0.359258136195E+03 -0.18270E-04 -0.15721E-05 2518 0.109E-02 6137 T= 6597. E= 0.68590894E+03 F= 0.63133110E+03 E0= 0.66142609E+03 EK= 0.54578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358901251906E+03 0.35687E+00 -0.18462E-01 7932 0.237E+01 0.260E-01 RMM: 2 -0.358915076857E+03 -0.13825E-01 -0.11350E-01 5083 0.750E-01 0.846E-01 RMM: 3 -0.358909801955E+03 0.52749E-02 -0.10603E-02 5667 0.207E-01 0.194E-01 RMM: 4 -0.358909962533E+03 -0.16058E-03 -0.10994E-03 4725 0.791E-02 0.298E-01 RMM: 5 -0.358909435998E+03 0.52653E-03 -0.46400E-04 4540 0.584E-02 0.127E-01 RMM: 6 -0.358909398687E+03 0.37312E-04 -0.20044E-04 3880 0.368E-02 0.103E-01 RMM: 7 -0.358909383103E+03 0.15584E-04 -0.67591E-05 3498 0.249E-02 6138 T= 6354. E= 0.68451950E+03 F= 0.63195888E+03 E0= 0.66205319E+03 EK= 0.52561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358404027564E+03 0.50537E+00 -0.17271E-01 7764 0.232E+01 0.282E-01 RMM: 2 -0.358414213233E+03 -0.10186E-01 -0.92468E-02 5272 0.677E-01 0.695E-01 RMM: 3 -0.358410572393E+03 0.36408E-02 -0.73478E-03 5683 0.174E-01 0.216E-01 RMM: 4 -0.358410881335E+03 -0.30894E-03 -0.11246E-03 4695 0.846E-02 0.342E-01 RMM: 5 -0.358410119671E+03 0.76166E-03 -0.61759E-04 4597 0.669E-02 0.107E-01 RMM: 6 -0.358410280681E+03 -0.16101E-03 -0.25355E-04 3888 0.406E-02 0.191E-01 RMM: 7 -0.358410110483E+03 0.17020E-03 -0.13100E-04 3875 0.348E-02 0.102E-01 RMM: 8 -0.358410049062E+03 0.61422E-04 -0.41267E-05 3167 0.186E-02 0.343E-02 RMM: 9 -0.358410067625E+03 -0.18563E-04 -0.19366E-05 2543 0.124E-02 6139 T= 6114. E= 0.68331637E+03 F= 0.63273805E+03 E0= 0.66283340E+03 EK= 0.50578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357851853006E+03 0.55820E+00 -0.16470E-01 7740 0.228E+01 0.214E-01 RMM: 2 -0.357861942848E+03 -0.10090E-01 -0.89328E-02 5054 0.675E-01 0.654E-01 RMM: 3 -0.357858683226E+03 0.32596E-02 -0.79909E-03 5741 0.176E-01 0.164E-01 RMM: 4 -0.357858765979E+03 -0.82754E-04 -0.76570E-04 4657 0.694E-02 0.248E-01 RMM: 5 -0.357858386672E+03 0.37931E-03 -0.37850E-04 4414 0.541E-02 0.960E-02 RMM: 6 -0.357858424756E+03 -0.38084E-04 -0.17233E-04 3887 0.346E-02 0.122E-01 RMM: 7 -0.357858366217E+03 0.58539E-04 -0.61102E-05 3428 0.243E-02 0.769E-02 RMM: 8 -0.357858330217E+03 0.36000E-04 -0.16228E-05 2542 0.125E-02 0.214E-02 RMM: 9 -0.357858333582E+03 -0.33647E-05 -0.69442E-06 2443 0.745E-03 6140 T= 5966. E= 0.68292171E+03 F= 0.63356909E+03 E0= 0.66366848E+03 EK= 0.49353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357322400677E+03 0.53593E+00 -0.15790E-01 7764 0.226E+01 0.266E-01 RMM: 2 -0.357330534107E+03 -0.81334E-02 -0.75675E-02 5208 0.614E-01 0.637E-01 RMM: 3 -0.357327518072E+03 0.30160E-02 -0.61876E-03 5652 0.160E-01 0.192E-01 RMM: 4 -0.357327913806E+03 -0.39573E-03 -0.10349E-03 4639 0.807E-02 0.340E-01 RMM: 5 -0.357327204800E+03 0.70901E-03 -0.49723E-04 4531 0.595E-02 0.123E-01 RMM: 6 -0.357327185714E+03 0.19087E-04 -0.15691E-04 3878 0.323E-02 6141 T= 5960. E= 0.68368289E+03 F= 0.63437628E+03 E0= 0.66448013E+03 EK= 0.49307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356848865781E+03 0.47834E+00 -0.16164E-01 7908 0.227E+01 0.400E-01 RMM: 2 -0.356878140822E+03 -0.29275E-01 -0.90060E-02 5110 0.691E-01 0.188E+00 RMM: 3 -0.356854420448E+03 0.23720E-01 -0.14787E-02 5351 0.295E-01 0.320E-01 RMM: 4 -0.356854131933E+03 0.28852E-03 -0.18998E-03 4860 0.924E-02 0.262E-01 RMM: 5 -0.356854036258E+03 0.95674E-04 -0.64692E-04 4602 0.668E-02 0.251E-01 RMM: 6 -0.356853670381E+03 0.36588E-03 -0.28675E-04 3900 0.440E-02 0.910E-02 RMM: 7 -0.356853755072E+03 -0.84692E-04 -0.14883E-04 3882 0.326E-02 0.144E-01 RMM: 8 -0.356853635209E+03 0.11986E-03 -0.77930E-05 3626 0.267E-02 0.486E-02 RMM: 9 -0.356853629056E+03 0.61532E-05 -0.18116E-05 2555 0.126E-02 6142 T= 6105. E= 0.68562809E+03 F= 0.63511944E+03 E0= 0.66523265E+03 EK= 0.50509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356434193617E+03 0.41944E+00 -0.16737E-01 8472 0.231E+01 0.386E-01 RMM: 2 -0.356463751793E+03 -0.29558E-01 -0.91155E-02 5190 0.689E-01 0.189E+00 RMM: 3 -0.356439862339E+03 0.23889E-01 -0.14036E-02 5358 0.287E-01 0.350E-01 RMM: 4 -0.356439372740E+03 0.48960E-03 -0.21652E-03 4908 0.102E-01 0.247E-01 RMM: 5 -0.356439292259E+03 0.80481E-04 -0.41237E-04 4244 0.510E-02 0.228E-01 RMM: 6 -0.356438955864E+03 0.33639E-03 -0.16168E-04 3876 0.351E-02 0.474E-02 RMM: 7 -0.356438953439E+03 0.24247E-05 -0.27962E-05 2752 0.151E-02 6143 T= 6364. E= 0.68844632E+03 F= 0.63579496E+03 E0= 0.66591661E+03 EK= 0.52651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356047422810E+03 0.39153E+00 -0.18501E-01 8520 0.236E+01 0.342E-01 RMM: 2 -0.356067575361E+03 -0.20153E-01 -0.11490E-01 5202 0.740E-01 0.132E+00 RMM: 3 -0.356055514361E+03 0.12061E-01 -0.12039E-02 5402 0.241E-01 0.272E-01 RMM: 4 -0.356055739443E+03 -0.22508E-03 -0.18396E-03 4812 0.965E-02 0.341E-01 RMM: 5 -0.356055130282E+03 0.60916E-03 -0.48775E-04 4469 0.551E-02 0.180E-01 RMM: 6 -0.356054935746E+03 0.19454E-03 -0.15661E-04 3878 0.324E-02 0.642E-02 RMM: 7 -0.356055019714E+03 -0.83968E-04 -0.93570E-05 3781 0.251E-02 0.130E-01 RMM: 8 -0.356054917156E+03 0.10256E-03 -0.50912E-05 3254 0.214E-02 0.411E-02 RMM: 9 -0.356054911611E+03 0.55451E-05 -0.16323E-05 2514 0.116E-02 6144 T= 6654. E= 0.69148019E+03 F= 0.63643035E+03 E0= 0.66656038E+03 EK= 0.55050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355647210958E+03 0.40771E+00 -0.20203E-01 8856 0.240E+01 0.298E-01 RMM: 2 -0.355662600052E+03 -0.15389E-01 -0.12135E-01 5219 0.753E-01 0.943E-01 RMM: 3 -0.355655991916E+03 0.66081E-02 -0.10487E-02 5510 0.211E-01 0.195E-01 RMM: 4 -0.355656614800E+03 -0.62288E-03 -0.14882E-03 4755 0.914E-02 0.380E-01 RMM: 5 -0.355655699656E+03 0.91514E-03 -0.45789E-04 4239 0.535E-02 0.109E-01 RMM: 6 -0.355655636286E+03 0.63370E-04 -0.88777E-05 3672 0.247E-02 0.572E-02 RMM: 7 -0.355655669999E+03 -0.33714E-04 -0.55055E-05 3302 0.199E-02 0.938E-02 RMM: 8 -0.355655619240E+03 0.50759E-04 -0.37899E-05 3012 0.189E-02 0.255E-02 RMM: 9 -0.355655627231E+03 -0.79912E-05 -0.14337E-05 2494 0.106E-02 6145 T= 6864. E= 0.69385595E+03 F= 0.63707265E+03 E0= 0.66720939E+03 EK= 0.56783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355188196762E+03 0.46742E+00 -0.22284E-01 8916 0.242E+01 0.298E-01 RMM: 2 -0.355204860176E+03 -0.16663E-01 -0.13630E-01 5288 0.781E-01 0.928E-01 RMM: 3 -0.355198437823E+03 0.64224E-02 -0.11497E-02 5503 0.221E-01 0.239E-01 RMM: 4 -0.355198817261E+03 -0.37944E-03 -0.15595E-03 4735 0.917E-02 0.354E-01 RMM: 5 -0.355198065173E+03 0.75209E-03 -0.44636E-04 4299 0.524E-02 0.133E-01 RMM: 6 -0.355197963897E+03 0.10128E-03 -0.97709E-05 3730 0.261E-02 0.584E-02 RMM: 7 -0.355198014863E+03 -0.50966E-04 -0.78037E-05 3620 0.234E-02 0.107E-01 RMM: 8 -0.355197948165E+03 0.66698E-04 -0.44265E-05 3162 0.199E-02 0.321E-02 RMM: 9 -0.355197951543E+03 -0.33776E-05 -0.16320E-05 2515 0.115E-02 6146 T= 6900. E= 0.69484903E+03 F= 0.63776765E+03 E0= 0.66790891E+03 EK= 0.57081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354655533865E+03 0.54241E+00 -0.23074E-01 8832 0.241E+01 0.274E-01 RMM: 2 -0.354671722409E+03 -0.16189E-01 -0.13962E-01 5477 0.758E-01 0.819E-01 RMM: 3 -0.354665877845E+03 0.58446E-02 -0.92321E-03 5582 0.195E-01 0.189E-01 RMM: 4 -0.354666341113E+03 -0.46327E-03 -0.12817E-03 4710 0.848E-02 0.348E-01 RMM: 5 -0.354665581317E+03 0.75980E-03 -0.41268E-04 4162 0.508E-02 0.105E-01 RMM: 6 -0.354665543280E+03 0.38037E-04 -0.10068E-04 3753 0.264E-02 0.772E-02 RMM: 7 -0.354665573360E+03 -0.30081E-04 -0.68050E-05 3519 0.218E-02 0.103E-01 RMM: 8 -0.354665510315E+03 0.63045E-04 -0.38223E-05 3062 0.190E-02 0.255E-02 RMM: 9 -0.354665519402E+03 -0.90873E-05 -0.13835E-05 2493 0.104E-02 6147 T= 6742. E= 0.69431011E+03 F= 0.63853491E+03 E0= 0.66867824E+03 EK= 0.55775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354065904451E+03 0.59961E+00 -0.23135E-01 8952 0.237E+01 0.255E-01 RMM: 2 -0.354082272943E+03 -0.16368E-01 -0.14552E-01 5480 0.765E-01 0.761E-01 RMM: 3 -0.354076861630E+03 0.54113E-02 -0.91279E-03 5626 0.196E-01 0.203E-01 RMM: 4 -0.354077110693E+03 -0.24906E-03 -0.11716E-03 4708 0.813E-02 0.307E-01 RMM: 5 -0.354076539125E+03 0.57157E-03 -0.38766E-04 4198 0.506E-02 0.116E-01 RMM: 6 -0.354076491594E+03 0.47530E-04 -0.12112E-04 3873 0.292E-02 0.839E-02 RMM: 7 -0.354076524201E+03 -0.32607E-04 -0.78508E-05 3643 0.241E-02 0.109E-01 RMM: 8 -0.354076452894E+03 0.71307E-04 -0.37819E-05 3105 0.189E-02 0.266E-02 RMM: 9 -0.354076460041E+03 -0.71467E-05 -0.13855E-05 2485 0.103E-02 6148 T= 6457. E= 0.69277312E+03 F= 0.63935897E+03 E0= 0.66950296E+03 EK= 0.53414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353468950043E+03 0.60750E+00 -0.22198E-01 9012 0.232E+01 0.239E-01 RMM: 2 -0.353484716459E+03 -0.15766E-01 -0.13738E-01 5691 0.725E-01 0.757E-01 RMM: 3 -0.353479116208E+03 0.56003E-02 -0.71777E-03 5603 0.179E-01 0.173E-01 RMM: 4 -0.353479357264E+03 -0.24106E-03 -0.98463E-04 4648 0.751E-02 0.285E-01 RMM: 5 -0.353478847683E+03 0.50958E-03 -0.35765E-04 4094 0.484E-02 0.100E-01 RMM: 6 -0.353478878407E+03 -0.30724E-04 -0.14150E-04 3876 0.312E-02 0.121E-01 RMM: 7 -0.353478843501E+03 0.34906E-04 -0.74327E-05 3612 0.241E-02 0.965E-02 RMM: 8 -0.353478786035E+03 0.57466E-04 -0.32480E-05 2978 0.173E-02 0.260E-02 RMM: 9 -0.353478794630E+03 -0.85958E-05 -0.13434E-05 2480 0.100E-02 6149 T= 6157. E= 0.69112876E+03 F= 0.64019303E+03 E0= 0.67033726E+03 EK= 0.50936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352930877397E+03 0.54791E+00 -0.21828E-01 9048 0.227E+01 0.241E-01 RMM: 2 -0.352948023261E+03 -0.17146E-01 -0.14003E-01 5479 0.754E-01 0.867E-01 RMM: 3 -0.352941556789E+03 0.64665E-02 -0.90502E-03 5758 0.192E-01 0.188E-01 RMM: 4 -0.352941585083E+03 -0.28294E-04 -0.96172E-04 4675 0.724E-02 0.247E-01 RMM: 5 -0.352941226565E+03 0.35852E-03 -0.31793E-04 4065 0.471E-02 0.121E-01 RMM: 6 -0.352941201734E+03 0.24831E-04 -0.15806E-04 3880 0.333E-02 0.109E-01 RMM: 7 -0.352941218297E+03 -0.16563E-04 -0.99146E-05 3841 0.273E-02 6150 T= 5949. E= 0.69018464E+03 F= 0.64096777E+03 E0= 0.67111296E+03 EK= 0.49217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352530311760E+03 0.41089E+00 -0.20851E-01 9108 0.225E+01 0.260E-01 RMM: 2 -0.352544819877E+03 -0.14508E-01 -0.12675E-01 5632 0.720E-01 0.761E-01 RMM: 3 -0.352539801203E+03 0.50187E-02 -0.77715E-03 5676 0.180E-01 0.217E-01 RMM: 4 -0.352539817912E+03 -0.16709E-04 -0.91764E-04 4652 0.707E-02 0.262E-01 RMM: 5 -0.352539357432E+03 0.46048E-03 -0.38980E-04 4096 0.513E-02 0.105E-01 RMM: 6 -0.352539481997E+03 -0.12457E-03 -0.23670E-04 3889 0.401E-02 0.172E-01 RMM: 7 -0.352539387782E+03 0.94215E-04 -0.11953E-04 3881 0.300E-02 0.123E-01 RMM: 8 -0.352539293330E+03 0.94452E-04 -0.53340E-05 3339 0.207E-02 0.334E-02 RMM: 9 -0.352539305557E+03 -0.12227E-04 -0.18791E-05 2538 0.122E-02 6151 T= 5901. E= 0.69042643E+03 F= 0.64160540E+03 E0= 0.67175354E+03 EK= 0.48821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352335831723E+03 0.20346E+00 -0.19976E-01 8904 0.226E+01 0.240E-01 RMM: 2 -0.352352579765E+03 -0.16748E-01 -0.12036E-01 5510 0.708E-01 0.978E-01 RMM: 3 -0.352345005463E+03 0.75743E-02 -0.83933E-03 5608 0.187E-01 0.183E-01 RMM: 4 -0.352345012572E+03 -0.71092E-05 -0.93635E-04 4669 0.690E-02 0.227E-01 RMM: 5 -0.352344711806E+03 0.30077E-03 -0.25078E-04 3895 0.415E-02 0.112E-01 RMM: 6 -0.352344662365E+03 0.49441E-04 -0.11438E-04 3853 0.294E-02 0.786E-02 RMM: 7 -0.352344705806E+03 -0.43441E-04 -0.75511E-05 3598 0.232E-02 0.114E-01 RMM: 8 -0.352344622084E+03 0.83721E-04 -0.44428E-05 3168 0.206E-02 0.262E-02 RMM: 9 -0.352344621659E+03 0.42576E-06 -0.95198E-06 2466 0.855E-03 6152 T= 6036. E= 0.69196785E+03 F= 0.64203144E+03 E0= 0.67218379E+03 EK= 0.49936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352408778602E+03 -0.64157E-01 -0.19014E-01 9012 0.229E+01 0.260E-01 RMM: 2 -0.352422402656E+03 -0.13624E-01 -0.10652E-01 5564 0.680E-01 0.877E-01 RMM: 3 -0.352416702285E+03 0.57004E-02 -0.72126E-03 5532 0.175E-01 0.212E-01 RMM: 4 -0.352416779244E+03 -0.76959E-04 -0.10566E-03 4642 0.767E-02 0.270E-01 RMM: 5 -0.352416324016E+03 0.45523E-03 -0.33558E-04 3953 0.460E-02 0.119E-01 RMM: 6 -0.352416294060E+03 0.29956E-04 -0.13314E-04 3880 0.310E-02 0.103E-01 RMM: 7 -0.352416312888E+03 -0.18828E-04 -0.99222E-05 3864 0.260E-02 6153 T= 6328. E= 0.69453178E+03 F= 0.64218429E+03 E0= 0.67234198E+03 EK= 0.52347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352781570347E+03 -0.36528E+00 -0.18176E-01 8856 0.235E+01 0.280E-01 RMM: 2 -0.352796236265E+03 -0.14666E-01 -0.10133E-01 5331 0.699E-01 0.102E+00 RMM: 3 -0.352789085878E+03 0.71504E-02 -0.88927E-03 5555 0.197E-01 0.228E-01 RMM: 4 -0.352789128862E+03 -0.42985E-04 -0.11811E-03 4643 0.801E-02 0.274E-01 RMM: 5 -0.352788684699E+03 0.44416E-03 -0.31294E-04 3917 0.434E-02 0.129E-01 RMM: 6 -0.352788619597E+03 0.65102E-04 -0.11975E-04 3850 0.303E-02 0.883E-02 RMM: 7 -0.352788681473E+03 -0.61876E-04 -0.11816E-04 3881 0.282E-02 0.131E-01 RMM: 8 -0.352788574695E+03 0.10678E-03 -0.75221E-05 3550 0.248E-02 0.382E-02 RMM: 9 -0.352788573091E+03 0.16041E-05 -0.14982E-05 2526 0.111E-02 6154 T= 6694. E= 0.69740450E+03 F= 0.64202879E+03 E0= 0.67219226E+03 EK= 0.55376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353449416349E+03 -0.66084E+00 -0.17556E-01 8220 0.242E+01 0.267E-01 RMM: 2 -0.353462643607E+03 -0.13227E-01 -0.93284E-02 5286 0.683E-01 0.964E-01 RMM: 3 -0.353456272999E+03 0.63706E-02 -0.83846E-03 5470 0.195E-01 0.226E-01 RMM: 4 -0.353456326766E+03 -0.53767E-04 -0.11993E-03 4662 0.805E-02 0.266E-01 RMM: 5 -0.353455919763E+03 0.40700E-03 -0.31114E-04 3949 0.436E-02 0.130E-01 RMM: 6 -0.353455819610E+03 0.10015E-03 -0.10758E-04 3803 0.295E-02 0.536E-02 RMM: 7 -0.353455852827E+03 -0.33217E-04 -0.49887E-05 3215 0.193E-02 0.938E-02 RMM: 8 -0.353455798660E+03 0.54167E-04 -0.37796E-05 2947 0.190E-02 0.354E-02 RMM: 9 -0.353455793673E+03 0.49865E-05 -0.12290E-05 2474 0.101E-02 6155 T= 7002. E= 0.69949714E+03 F= 0.64157150E+03 E0= 0.67174059E+03 EK= 0.57926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354359508449E+03 -0.90371E+00 -0.17360E-01 7848 0.246E+01 0.289E-01 RMM: 2 -0.354372486211E+03 -0.12978E-01 -0.83512E-02 5256 0.679E-01 0.103E+00 RMM: 3 -0.354365213283E+03 0.72729E-02 -0.80342E-03 5411 0.196E-01 0.208E-01 RMM: 4 -0.354365463186E+03 -0.24990E-03 -0.13227E-03 4677 0.855E-02 0.306E-01 RMM: 5 -0.354364910127E+03 0.55306E-03 -0.35530E-04 3979 0.477E-02 0.130E-01 RMM: 6 -0.354364810602E+03 0.99525E-04 -0.84000E-05 3622 0.255E-02 0.577E-02 RMM: 7 -0.354364846259E+03 -0.35657E-04 -0.79295E-05 3692 0.234E-02 0.999E-02 RMM: 8 -0.354364783169E+03 0.63091E-04 -0.43681E-05 3163 0.201E-02 0.288E-02 RMM: 9 -0.354364785396E+03 -0.22279E-05 -0.13666E-05 2490 0.106E-02 6156 T= 7116. E= 0.69973839E+03 F= 0.64086834E+03 E0= 0.67104307E+03 EK= 0.58870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355419735104E+03 -0.10550E+01 -0.17288E-01 7608 0.246E+01 0.282E-01 RMM: 2 -0.355431697174E+03 -0.11962E-01 -0.79811E-02 5126 0.681E-01 0.990E-01 RMM: 3 -0.355425370825E+03 0.63263E-02 -0.83028E-03 5414 0.199E-01 0.240E-01 RMM: 4 -0.355425434556E+03 -0.63731E-04 -0.12822E-03 4735 0.852E-02 0.274E-01 RMM: 5 -0.355425040921E+03 0.39364E-03 -0.34270E-04 4025 0.464E-02 0.149E-01 RMM: 6 -0.355424904741E+03 0.13618E-03 -0.11135E-04 3778 0.300E-02 0.538E-02 RMM: 7 -0.355424932830E+03 -0.28088E-04 -0.55035E-05 3297 0.205E-02 0.865E-02 RMM: 8 -0.355424891317E+03 0.41513E-04 -0.33102E-05 2883 0.180E-02 0.397E-02 RMM: 9 -0.355424884611E+03 0.67058E-05 -0.12270E-05 2474 0.103E-02 6157 T= 6975. E= 0.69771648E+03 F= 0.64001362E+03 E0= 0.67019438E+03 EK= 0.57703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356534804876E+03 -0.11099E+01 -0.16979E-01 7668 0.242E+01 0.261E-01 RMM: 2 -0.356544956146E+03 -0.10151E-01 -0.76257E-02 5079 0.655E-01 0.833E-01 RMM: 3 -0.356540273165E+03 0.46830E-02 -0.76536E-03 5446 0.183E-01 0.189E-01 RMM: 4 -0.356540611797E+03 -0.33863E-03 -0.10882E-03 4700 0.795E-02 0.308E-01 RMM: 5 -0.356540069907E+03 0.54189E-03 -0.33355E-04 4062 0.461E-02 0.137E-01 RMM: 6 -0.356539958140E+03 0.11177E-03 -0.10172E-04 3749 0.281E-02 0.556E-02 RMM: 7 -0.356539990119E+03 -0.31979E-04 -0.61031E-05 3398 0.213E-02 0.910E-02 RMM: 8 -0.356539941959E+03 0.48159E-04 -0.34806E-05 2969 0.186E-02 0.335E-02 RMM: 9 -0.356539938180E+03 0.37796E-05 -0.11283E-05 2469 0.977E-03 6158 T= 6636. E= 0.69400455E+03 F= 0.63910695E+03 E0= 0.66929589E+03 EK= 0.54898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357632387417E+03 -0.10924E+01 -0.16038E-01 7656 0.236E+01 0.254E-01 RMM: 2 -0.357642067657E+03 -0.96802E-02 -0.69566E-02 5092 0.620E-01 0.841E-01 RMM: 3 -0.357637337736E+03 0.47299E-02 -0.69126E-03 5451 0.177E-01 0.216E-01 RMM: 4 -0.357637471319E+03 -0.13358E-03 -0.10856E-03 4667 0.797E-02 0.267E-01 RMM: 5 -0.357637067186E+03 0.40413E-03 -0.31930E-04 3990 0.457E-02 0.132E-01 RMM: 6 -0.357636966474E+03 0.10071E-03 -0.96731E-05 3703 0.280E-02 0.546E-02 RMM: 7 -0.357637005917E+03 -0.39444E-04 -0.61867E-05 3408 0.215E-02 0.962E-02 RMM: 8 -0.357636952030E+03 0.53888E-04 -0.34464E-05 2988 0.188E-02 0.333E-02 RMM: 9 -0.357636947899E+03 0.41308E-05 -0.95564E-06 2460 0.887E-03 6159 T= 6234. E= 0.68979822E+03 F= 0.63822345E+03 E0= 0.66842413E+03 EK= 0.51575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358667431311E+03 -0.10305E+01 -0.15050E-01 7596 0.230E+01 0.255E-01 RMM: 2 -0.358676680367E+03 -0.92491E-02 -0.67448E-02 5122 0.598E-01 0.818E-01 RMM: 3 -0.358672101321E+03 0.45790E-02 -0.66969E-03 5468 0.173E-01 0.192E-01 RMM: 4 -0.358672356227E+03 -0.25491E-03 -0.10024E-03 4629 0.759E-02 0.286E-01 RMM: 5 -0.358671921672E+03 0.43456E-03 -0.32210E-04 4007 0.457E-02 0.152E-01 RMM: 6 -0.358671783796E+03 0.13788E-03 -0.12510E-04 3861 0.315E-02 0.563E-02 RMM: 7 -0.358671831124E+03 -0.47328E-04 -0.66123E-05 3461 0.221E-02 0.102E-01 RMM: 8 -0.358671770803E+03 0.60322E-04 -0.35487E-05 3005 0.191E-02 0.374E-02 RMM: 9 -0.358671764730E+03 0.60723E-05 -0.11219E-05 2471 0.975E-03 6160 T= 5905. E= 0.68625800E+03 F= 0.63740729E+03 E0= 0.66762464E+03 EK= 0.48851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359613358010E+03 -0.94159E+00 -0.14769E-01 7920 0.226E+01 0.253E-01 RMM: 2 -0.359623396896E+03 -0.10039E-01 -0.62188E-02 5132 0.570E-01 0.926E-01 RMM: 3 -0.359617582154E+03 0.58147E-02 -0.62471E-03 5429 0.171E-01 0.184E-01 RMM: 4 -0.359617911583E+03 -0.32943E-03 -0.11121E-03 4644 0.806E-02 0.296E-01 RMM: 5 -0.359617393787E+03 0.51780E-03 -0.33275E-04 4003 0.470E-02 0.123E-01 RMM: 6 -0.359617307088E+03 0.86699E-04 -0.92222E-05 3689 0.267E-02 0.544E-02 RMM: 7 -0.359617350210E+03 -0.43122E-04 -0.56863E-05 3339 0.208E-02 0.992E-02 RMM: 8 -0.359617291711E+03 0.58499E-04 -0.31605E-05 2941 0.181E-02 0.276E-02 RMM: 9 -0.359617290570E+03 0.11406E-05 -0.86772E-06 2454 0.820E-03 6161 T= 5735. E= 0.68412940E+03 F= 0.63668343E+03 E0= 0.66692260E+03 EK= 0.47446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360442064797E+03 -0.82477E+00 -0.14487E-01 7956 0.225E+01 0.254E-01 RMM: 2 -0.360451122843E+03 -0.90580E-02 -0.66549E-02 5086 0.590E-01 0.809E-01 RMM: 3 -0.360446690811E+03 0.44320E-02 -0.68393E-03 5467 0.175E-01 0.196E-01 RMM: 4 -0.360446984790E+03 -0.29398E-03 -0.10673E-03 4636 0.780E-02 0.296E-01 RMM: 5 -0.360446501007E+03 0.48378E-03 -0.31312E-04 3943 0.443E-02 0.144E-01 RMM: 6 -0.360446372711E+03 0.12830E-03 -0.10448E-04 3756 0.289E-02 0.477E-02 RMM: 7 -0.360446415117E+03 -0.42406E-04 -0.52255E-05 3276 0.199E-02 0.957E-02 RMM: 8 -0.360446359844E+03 0.55274E-04 -0.31718E-05 2857 0.180E-02 0.284E-02 RMM: 9 -0.360446358170E+03 0.16732E-05 -0.10466E-05 2463 0.925E-03 6162 T= 5759. E= 0.68371611E+03 F= 0.63607535E+03 E0= 0.66634163E+03 EK= 0.47641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361117938383E+03 -0.67158E+00 -0.14676E-01 8016 0.228E+01 0.246E-01 RMM: 2 -0.361125561885E+03 -0.76235E-02 -0.61672E-02 5260 0.559E-01 0.703E-01 RMM: 3 -0.361122139282E+03 0.34226E-02 -0.54211E-03 5448 0.156E-01 0.191E-01 RMM: 4 -0.361122546347E+03 -0.40706E-03 -0.97789E-04 4619 0.757E-02 0.320E-01 RMM: 5 -0.361121897090E+03 0.64926E-03 -0.32716E-04 3943 0.459E-02 0.989E-02 RMM: 6 -0.361121841535E+03 0.55555E-04 -0.62952E-05 3415 0.221E-02 0.507E-02 RMM: 7 -0.361121868069E+03 -0.26534E-04 -0.49164E-05 3192 0.195E-02 0.858E-02 RMM: 8 -0.361121823673E+03 0.44396E-04 -0.29452E-05 2827 0.169E-02 0.226E-02 RMM: 9 -0.361121827275E+03 -0.36014E-05 -0.10202E-05 2455 0.886E-03 6163 T= 5964. E= 0.68495527E+03 F= 0.63561626E+03 E0= 0.66591395E+03 EK= 0.49339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361588223922E+03 -0.46640E+00 -0.15276E-01 8172 0.233E+01 0.263E-01 RMM: 2 -0.361597567871E+03 -0.93439E-02 -0.67552E-02 5262 0.597E-01 0.848E-01 RMM: 3 -0.361592766108E+03 0.48018E-02 -0.62694E-03 5575 0.166E-01 0.194E-01 RMM: 4 -0.361593076709E+03 -0.31060E-03 -0.11060E-03 4623 0.798E-02 0.308E-01 RMM: 5 -0.361592516573E+03 0.56014E-03 -0.33627E-04 3943 0.461E-02 0.123E-01 RMM: 6 -0.361592422467E+03 0.94106E-04 -0.79948E-05 3537 0.255E-02 0.429E-02 RMM: 7 -0.361592452694E+03 -0.30227E-04 -0.36818E-05 2932 0.169E-02 0.854E-02 RMM: 8 -0.361592408122E+03 0.44571E-04 -0.31140E-05 2655 0.172E-02 0.253E-02 RMM: 9 -0.361592410264E+03 -0.21422E-05 -0.11103E-05 2464 0.941E-03 6164 T= 6294. E= 0.68742496E+03 F= 0.63535446E+03 E0= 0.66568702E+03 EK= 0.52071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361795874215E+03 -0.20347E+00 -0.16592E-01 8088 0.239E+01 0.252E-01 RMM: 2 -0.361804834810E+03 -0.89606E-02 -0.72521E-02 5237 0.613E-01 0.747E-01 RMM: 3 -0.361801023250E+03 0.38116E-02 -0.65318E-03 5612 0.164E-01 0.181E-01 RMM: 4 -0.361801386545E+03 -0.36329E-03 -0.98557E-04 4630 0.759E-02 0.317E-01 RMM: 5 -0.361800759869E+03 0.62668E-03 -0.32508E-04 3948 0.460E-02 0.980E-02 RMM: 6 -0.361800700597E+03 0.59272E-04 -0.60425E-05 3371 0.218E-02 0.467E-02 RMM: 7 -0.361800722839E+03 -0.22242E-04 -0.41674E-05 3019 0.182E-02 0.804E-02 RMM: 8 -0.361800683559E+03 0.39280E-04 -0.29295E-05 2689 0.164E-02 0.259E-02 RMM: 9 -0.361800686559E+03 -0.29999E-05 -0.12109E-05 2463 0.971E-03 6165 T= 6645. E= 0.69031933E+03 F= 0.63534622E+03 E0= 0.66571524E+03 EK= 0.54973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361698770587E+03 0.10191E+00 -0.17343E-01 7908 0.244E+01 0.254E-01 RMM: 2 -0.361708808673E+03 -0.10038E-01 -0.77328E-02 5226 0.640E-01 0.814E-01 RMM: 3 -0.361704240156E+03 0.45685E-02 -0.71457E-03 5615 0.175E-01 0.185E-01 RMM: 4 -0.361704522099E+03 -0.28194E-03 -0.10213E-03 4637 0.763E-02 0.301E-01 RMM: 5 -0.361703985217E+03 0.53688E-03 -0.30877E-04 3958 0.446E-02 0.115E-01 RMM: 6 -0.361703905076E+03 0.80141E-04 -0.69771E-05 3464 0.237E-02 0.454E-02 RMM: 7 -0.361703931269E+03 -0.26193E-04 -0.40847E-05 3012 0.178E-02 0.824E-02 RMM: 8 -0.361703888782E+03 0.42486E-04 -0.32240E-05 2708 0.175E-02 0.256E-02 RMM: 9 -0.361703890470E+03 -0.16876E-05 -0.11879E-05 2463 0.977E-03 6166 T= 6885. E= 0.69259377E+03 F= 0.63563513E+03 E0= 0.66604050E+03 EK= 0.56959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361294903889E+03 0.40898E+00 -0.18161E-01 7848 0.246E+01 0.246E-01 RMM: 2 -0.361305765915E+03 -0.10862E-01 -0.75987E-02 5231 0.630E-01 0.887E-01 RMM: 3 -0.361300319125E+03 0.54468E-02 -0.67875E-03 5644 0.171E-01 0.178E-01 RMM: 4 -0.361300479294E+03 -0.16017E-03 -0.97411E-04 4628 0.751E-02 0.262E-01 RMM: 5 -0.361300083173E+03 0.39612E-03 -0.26397E-04 3893 0.418E-02 0.114E-01 RMM: 6 -0.361300005679E+03 0.77494E-04 -0.71269E-05 3503 0.243E-02 0.517E-02 RMM: 7 -0.361300041179E+03 -0.35501E-04 -0.54110E-05 3286 0.202E-02 0.925E-02 RMM: 8 -0.361299988885E+03 0.52294E-04 -0.32699E-05 2866 0.179E-02 0.289E-02 RMM: 9 -0.361299987155E+03 0.17303E-05 -0.99190E-06 2454 0.879E-03 6167 T= 6913. E= 0.69341387E+03 F= 0.63622542E+03 E0= 0.66666474E+03 EK= 0.57188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360636325717E+03 0.66366E+00 -0.18448E-01 7800 0.243E+01 0.221E-01 RMM: 2 -0.360646438560E+03 -0.10113E-01 -0.77375E-02 5182 0.629E-01 0.777E-01 RMM: 3 -0.360642013047E+03 0.44255E-02 -0.67747E-03 5634 0.172E-01 0.175E-01 RMM: 4 -0.360642092313E+03 -0.79266E-04 -0.79263E-04 4630 0.665E-02 0.233E-01 RMM: 5 -0.360641799046E+03 0.29327E-03 -0.23811E-04 3899 0.409E-02 0.115E-01 RMM: 6 -0.360641730215E+03 0.68831E-04 -0.84216E-05 3590 0.262E-02 0.605E-02 RMM: 7 -0.360641775192E+03 -0.44977E-04 -0.61370E-05 3407 0.213E-02 0.102E-01 RMM: 8 -0.360641708810E+03 0.66382E-04 -0.34701E-05 2944 0.189E-02 0.258E-02 RMM: 9 -0.360641707700E+03 0.11099E-05 -0.91036E-06 2456 0.840E-03 6168 T= 6720. E= 0.69265754E+03 F= 0.63706698E+03 E0= 0.66753680E+03 EK= 0.55591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359818483637E+03 0.82323E+00 -0.17712E-01 7680 0.238E+01 0.223E-01 RMM: 2 -0.359831151091E+03 -0.12667E-01 -0.79382E-02 5132 0.646E-01 0.980E-01 RMM: 3 -0.359824481194E+03 0.66699E-02 -0.75711E-03 5662 0.180E-01 0.180E-01 RMM: 4 -0.359824372374E+03 0.10882E-03 -0.77729E-04 4632 0.659E-02 0.176E-01 RMM: 5 -0.359824215914E+03 0.15646E-03 -0.22181E-04 3891 0.408E-02 0.112E-01 RMM: 6 -0.359824164041E+03 0.51873E-04 -0.89733E-05 3723 0.268E-02 0.726E-02 RMM: 7 -0.359824193553E+03 -0.29512E-04 -0.64366E-05 3441 0.223E-02 0.996E-02 RMM: 8 -0.359824132680E+03 0.60873E-04 -0.35234E-05 3033 0.190E-02 0.269E-02 RMM: 9 -0.359824131563E+03 0.11172E-05 -0.78240E-06 2451 0.774E-03 6169 T= 6396. E= 0.69098023E+03 F= 0.63806680E+03 E0= 0.66856308E+03 EK= 0.52913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358950894135E+03 0.87324E+00 -0.16732E-01 7704 0.232E+01 0.194E-01 RMM: 2 -0.358961042763E+03 -0.10149E-01 -0.81237E-02 5100 0.648E-01 0.717E-01 RMM: 3 -0.358957273622E+03 0.37691E-02 -0.75663E-03 5577 0.177E-01 0.173E-01 RMM: 4 -0.358957176589E+03 0.97033E-04 -0.61865E-04 4634 0.572E-02 0.162E-01 RMM: 5 -0.358957029627E+03 0.14696E-03 -0.20733E-04 3905 0.403E-02 0.105E-01 RMM: 6 -0.358957002675E+03 0.26952E-04 -0.10775E-04 3804 0.286E-02 0.856E-02 RMM: 7 -0.358957034268E+03 -0.31592E-04 -0.68576E-05 3516 0.231E-02 0.110E-01 RMM: 8 -0.358956959183E+03 0.75085E-04 -0.36842E-05 3069 0.190E-02 0.271E-02 RMM: 9 -0.358956958813E+03 0.37011E-06 -0.96789E-06 2458 0.875E-03 6170 T= 6075. E= 0.68937266E+03 F= 0.63911589E+03 E0= 0.66963504E+03 EK= 0.50257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358126512206E+03 0.83045E+00 -0.15616E-01 7584 0.227E+01 0.182E-01 RMM: 2 -0.358135015437E+03 -0.85032E-02 -0.68448E-02 5123 0.596E-01 0.675E-01 RMM: 3 -0.358131822311E+03 0.31931E-02 -0.60987E-03 5715 0.154E-01 0.156E-01 RMM: 4 -0.358131737396E+03 0.84915E-04 -0.54333E-04 4607 0.567E-02 0.162E-01 RMM: 5 -0.358131574782E+03 0.16261E-03 -0.20054E-04 3897 0.399E-02 0.817E-02 RMM: 6 -0.358131590900E+03 -0.16119E-04 -0.84158E-05 3666 0.255E-02 6171 T= 5868. E= 0.68867014E+03 F= 0.64012199E+03 E0= 0.67066093E+03 EK= 0.48548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357397804797E+03 0.73377E+00 -0.15580E-01 7728 0.225E+01 0.289E-01 RMM: 2 -0.357415138086E+03 -0.17333E-01 -0.66779E-02 5141 0.599E-01 0.138E+00 RMM: 3 -0.357402538277E+03 0.12600E-01 -0.91398E-03 5363 0.225E-01 0.290E-01 RMM: 4 -0.357402092146E+03 0.44613E-03 -0.11139E-03 4635 0.714E-02 0.155E-01 RMM: 5 -0.357402050756E+03 0.41390E-04 -0.34205E-04 4248 0.498E-02 0.157E-01 RMM: 6 -0.357401921521E+03 0.12924E-03 -0.16842E-04 3891 0.356E-02 0.797E-02 RMM: 7 -0.357401989976E+03 -0.68455E-04 -0.93066E-05 3731 0.262E-02 0.128E-01 RMM: 8 -0.357401895918E+03 0.94057E-04 -0.49858E-05 3263 0.220E-02 0.445E-02 RMM: 9 -0.357401888039E+03 0.78795E-05 -0.11666E-05 2491 0.996E-03 6172 T= 5839. E= 0.68933739E+03 F= 0.64102916E+03 E0= 0.67158648E+03 EK= 0.48308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356778638619E+03 0.62326E+00 -0.15536E-01 7668 0.228E+01 0.289E-01 RMM: 2 -0.356796932932E+03 -0.18294E-01 -0.60601E-02 5073 0.584E-01 0.146E+00 RMM: 3 -0.356782769905E+03 0.14163E-01 -0.89662E-03 5344 0.229E-01 0.311E-01 RMM: 4 -0.356782185092E+03 0.58481E-03 -0.12523E-03 4641 0.780E-02 0.133E-01 RMM: 5 -0.356782221971E+03 -0.36878E-04 -0.22217E-04 3889 0.384E-02 0.166E-01 RMM: 6 -0.356782049775E+03 0.17220E-03 -0.93254E-05 3654 0.287E-02 0.421E-02 RMM: 7 -0.356782055265E+03 -0.54904E-05 -0.28696E-05 2759 0.156E-02 6173 T= 6000. E= 0.69145575E+03 F= 0.64182080E+03 E0= 0.67239377E+03 EK= 0.49635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356247998831E+03 0.53405E+00 -0.16129E-01 7728 0.233E+01 0.258E-01 RMM: 2 -0.356264369872E+03 -0.16371E-01 -0.68940E-02 5051 0.605E-01 0.131E+00 RMM: 3 -0.356252910849E+03 0.11459E-01 -0.80824E-03 5375 0.203E-01 0.189E-01 RMM: 4 -0.356253004745E+03 -0.93896E-04 -0.10931E-03 4650 0.734E-02 0.241E-01 RMM: 5 -0.356252735823E+03 0.26892E-03 -0.26649E-04 3943 0.427E-02 0.141E-01 RMM: 6 -0.356252610480E+03 0.12534E-03 -0.91518E-05 3636 0.271E-02 0.471E-02 RMM: 7 -0.356252653093E+03 -0.42613E-04 -0.56382E-05 3297 0.204E-02 0.972E-02 RMM: 8 -0.356252599959E+03 0.53134E-04 -0.35508E-05 2928 0.190E-02 0.370E-02 RMM: 9 -0.356252593733E+03 0.62254E-05 -0.10462E-05 2460 0.950E-03 6174 T= 6310. E= 0.69471545E+03 F= 0.64251458E+03 E0= 0.67310058E+03 EK= 0.52201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355767710813E+03 0.48489E+00 -0.17099E-01 7608 0.240E+01 0.219E-01 RMM: 2 -0.355777293748E+03 -0.95829E-02 -0.67001E-02 5102 0.604E-01 0.832E-01 RMM: 3 -0.355772528549E+03 0.47652E-02 -0.64954E-03 5449 0.173E-01 0.150E-01 RMM: 4 -0.355772839733E+03 -0.31118E-03 -0.83298E-04 4633 0.693E-02 0.272E-01 RMM: 5 -0.355772364461E+03 0.47527E-03 -0.21877E-04 3883 0.371E-02 0.859E-02 RMM: 6 -0.355772323978E+03 0.40483E-04 -0.45566E-05 3165 0.194E-02 0.417E-02 RMM: 7 -0.355772334948E+03 -0.10970E-04 -0.32634E-05 2742 0.164E-02 6175 T= 6675. E= 0.69836946E+03 F= 0.64315111E+03 E0= 0.67374652E+03 EK= 0.55218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355287229395E+03 0.48509E+00 -0.18775E-01 7884 0.246E+01 0.233E-01 RMM: 2 -0.355299123244E+03 -0.11894E-01 -0.93962E-02 5018 0.719E-01 0.810E-01 RMM: 3 -0.355294674188E+03 0.44491E-02 -0.97705E-03 5656 0.193E-01 0.190E-01 RMM: 4 -0.355294722944E+03 -0.48757E-04 -0.95845E-04 4705 0.742E-02 0.253E-01 RMM: 5 -0.355294327911E+03 0.39503E-03 -0.25338E-04 3949 0.410E-02 0.893E-02 RMM: 6 -0.355294285791E+03 0.42120E-04 -0.47083E-05 3182 0.200E-02 0.487E-02 RMM: 7 -0.355294312141E+03 -0.26350E-04 -0.48749E-05 3224 0.190E-02 0.859E-02 RMM: 8 -0.355294268367E+03 0.43774E-04 -0.32211E-05 2792 0.172E-02 0.255E-02 RMM: 9 -0.355294270665E+03 -0.22980E-05 -0.11417E-05 2465 0.957E-03 6176 T= 6957. E= 0.70132870E+03 F= 0.64377834E+03 E0= 0.67437823E+03 EK= 0.57550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354786125980E+03 0.50814E+00 -0.18419E-01 7812 0.249E+01 0.236E-01 RMM: 2 -0.354797500981E+03 -0.11375E-01 -0.83144E-02 5122 0.673E-01 0.885E-01 RMM: 3 -0.354792320119E+03 0.51809E-02 -0.81305E-03 5628 0.184E-01 0.160E-01 RMM: 4 -0.354792471025E+03 -0.15091E-03 -0.90035E-04 4633 0.717E-02 0.257E-01 RMM: 5 -0.354792070527E+03 0.40050E-03 -0.24419E-04 3898 0.403E-02 0.952E-02 RMM: 6 -0.354792016926E+03 0.53601E-04 -0.56939E-05 3331 0.220E-02 0.405E-02 RMM: 7 -0.354792034575E+03 -0.17649E-04 -0.31969E-05 2679 0.160E-02 6177 T= 7031. E= 0.70259299E+03 F= 0.64442468E+03 E0= 0.67502374E+03 EK= 0.58168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354271230570E+03 0.52079E+00 -0.18195E-01 7680 0.247E+01 0.215E-01 RMM: 2 -0.354281774647E+03 -0.10544E-01 -0.82896E-02 5185 0.665E-01 0.775E-01 RMM: 3 -0.354277635026E+03 0.41396E-02 -0.75601E-03 5688 0.175E-01 0.184E-01 RMM: 4 -0.354277575125E+03 0.59900E-04 -0.71793E-04 4626 0.631E-02 0.200E-01 RMM: 5 -0.354277342562E+03 0.23256E-03 -0.17838E-04 3884 0.343E-02 0.935E-02 RMM: 6 -0.354277303175E+03 0.39387E-04 -0.62482E-05 3397 0.228E-02 0.590E-02 RMM: 7 -0.354277345342E+03 -0.42167E-04 -0.54871E-05 3290 0.200E-02 0.103E-01 RMM: 8 -0.354277282215E+03 0.63127E-04 -0.36602E-05 2946 0.187E-02 0.310E-02 RMM: 9 -0.354277279386E+03 0.28287E-05 -0.10846E-05 2457 0.935E-03 6178 T= 6863. E= 0.70185790E+03 F= 0.64508098E+03 E0= 0.67567315E+03 EK= 0.56777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353793396658E+03 0.48389E+00 -0.17730E-01 7812 0.242E+01 0.219E-01 RMM: 2 -0.353805990721E+03 -0.12594E-01 -0.85456E-02 5178 0.677E-01 0.946E-01 RMM: 3 -0.353799962971E+03 0.60277E-02 -0.80004E-03 5670 0.181E-01 0.153E-01 RMM: 4 -0.353799961971E+03 0.10006E-05 -0.73335E-04 4635 0.636E-02 0.200E-01 RMM: 5 -0.353799729424E+03 0.23255E-03 -0.18686E-04 3882 0.362E-02 0.952E-02 RMM: 6 -0.353799687687E+03 0.41738E-04 -0.72242E-05 3496 0.242E-02 0.570E-02 RMM: 7 -0.353799718027E+03 -0.30341E-04 -0.43630E-05 3090 0.185E-02 0.926E-02 RMM: 8 -0.353799666320E+03 0.51708E-04 -0.31340E-05 2785 0.178E-02 0.239E-02 RMM: 9 -0.353799665150E+03 0.11700E-05 -0.75872E-06 2441 0.759E-03 6179 T= 6531. E= 0.69972486E+03 F= 0.64569967E+03 E0= 0.67628002E+03 EK= 0.54025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353421098325E+03 0.37857E+00 -0.16917E-01 7764 0.235E+01 0.191E-01 RMM: 2 -0.353431672490E+03 -0.10574E-01 -0.82682E-02 5232 0.663E-01 0.762E-01 RMM: 3 -0.353427682880E+03 0.39896E-02 -0.73729E-03 5730 0.168E-01 0.169E-01 RMM: 4 -0.353427518978E+03 0.16390E-03 -0.56178E-04 4634 0.552E-02 0.141E-01 RMM: 5 -0.353427412607E+03 0.10637E-03 -0.15786E-04 3891 0.341E-02 0.950E-02 RMM: 6 -0.353427384095E+03 0.28512E-04 -0.73213E-05 3500 0.240E-02 0.722E-02 RMM: 7 -0.353427410245E+03 -0.26150E-04 -0.49562E-05 3222 0.201E-02 0.971E-02 RMM: 8 -0.353427352918E+03 0.57327E-04 -0.27485E-05 2744 0.167E-02 0.256E-02 RMM: 9 -0.353427353670E+03 -0.75206E-06 -0.95471E-06 2448 0.854E-03 6180 T= 6173. E= 0.69728336E+03 F= 0.64621368E+03 E0= 0.67677779E+03 EK= 0.51070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353217833926E+03 0.20952E+00 -0.16096E-01 7896 0.229E+01 0.213E-01 RMM: 2 -0.353231260193E+03 -0.13426E-01 -0.84662E-02 5170 0.678E-01 0.101E+00 RMM: 3 -0.353224455456E+03 0.68047E-02 -0.83084E-03 5612 0.186E-01 0.173E-01 RMM: 4 -0.353224273121E+03 0.18234E-03 -0.69096E-04 4663 0.592E-02 0.136E-01 RMM: 5 -0.353224202493E+03 0.70628E-04 -0.17126E-04 3880 0.355E-02 0.110E-01 RMM: 6 -0.353224144655E+03 0.57838E-04 -0.74968E-05 3530 0.244E-02 0.619E-02 RMM: 7 -0.353224184992E+03 -0.40337E-04 -0.57330E-05 3340 0.211E-02 0.101E-01 RMM: 8 -0.353224123798E+03 0.61194E-04 -0.33077E-05 2971 0.184E-02 0.241E-02 RMM: 9 -0.353224124453E+03 -0.65471E-06 -0.82661E-06 2449 0.799E-03 6181 T= 5918. E= 0.69551884E+03 F= 0.64655897E+03 E0= 0.67710287E+03 EK= 0.48960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353226107947E+03 -0.19841E-02 -0.15320E-01 7896 0.225E+01 0.175E-01 RMM: 2 -0.353234813273E+03 -0.87053E-02 -0.69175E-02 5319 0.594E-01 0.678E-01 RMM: 3 -0.353231445572E+03 0.33677E-02 -0.55041E-03 5660 0.147E-01 0.144E-01 RMM: 4 -0.353231394777E+03 0.50795E-04 -0.50997E-04 4601 0.529E-02 0.152E-01 RMM: 5 -0.353231266618E+03 0.12816E-03 -0.14273E-04 3876 0.313E-02 0.900E-02 RMM: 6 -0.353231238466E+03 0.28152E-04 -0.61150E-05 3392 0.221E-02 0.644E-02 RMM: 7 -0.353231263862E+03 -0.25396E-04 -0.40672E-05 3055 0.184E-02 0.901E-02 RMM: 8 -0.353231215099E+03 0.48763E-04 -0.24533E-05 2644 0.159E-02 0.228E-02 RMM: 9 -0.353231215568E+03 -0.46959E-06 -0.72224E-06 2442 0.732E-03 6182 T= 5841. E= 0.69501300E+03 F= 0.64669289E+03 E0= 0.67721274E+03 EK= 0.48320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353449995388E+03 -0.21878E+00 -0.15287E-01 7956 0.225E+01 0.196E-01 RMM: 2 -0.353459672584E+03 -0.96772E-02 -0.68859E-02 5291 0.594E-01 0.810E-01 RMM: 3 -0.353455174035E+03 0.44985E-02 -0.60458E-03 5702 0.154E-01 0.145E-01 RMM: 4 -0.353455142880E+03 0.31155E-04 -0.59621E-04 4628 0.569E-02 0.171E-01 RMM: 5 -0.353455006190E+03 0.13669E-03 -0.14453E-04 3872 0.307E-02 0.106E-01 RMM: 6 -0.353454941186E+03 0.65004E-04 -0.50792E-05 3278 0.208E-02 0.431E-02 RMM: 7 -0.353454971351E+03 -0.30165E-04 -0.40122E-05 3066 0.178E-02 0.821E-02 RMM: 8 -0.353454931546E+03 0.39805E-04 -0.24657E-05 2683 0.160E-02 0.206E-02 RMM: 9 -0.353454931470E+03 0.76174E-07 -0.65265E-06 2439 0.706E-03 6183 T= 5961. E= 0.69592322E+03 F= 0.64660719E+03 E0= 0.67709889E+03 EK= 0.49316E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353863616846E+03 -0.40869E+00 -0.15687E-01 8088 0.228E+01 0.195E-01 RMM: 2 -0.353871950745E+03 -0.83339E-02 -0.67260E-02 5372 0.583E-01 0.683E-01 RMM: 3 -0.353868582107E+03 0.33686E-02 -0.54539E-03 5776 0.146E-01 0.145E-01 RMM: 4 -0.353868645791E+03 -0.63684E-04 -0.61368E-04 4625 0.589E-02 0.205E-01 RMM: 5 -0.353868395292E+03 0.25050E-03 -0.16228E-04 3876 0.317E-02 0.870E-02 RMM: 6 -0.353868352325E+03 0.42967E-04 -0.39219E-05 3084 0.188E-02 0.382E-02 RMM: 7 -0.353868374695E+03 -0.22371E-04 -0.30212E-05 2667 0.156E-02 0.733E-02 RMM: 8 -0.353868343288E+03 0.31407E-04 -0.22312E-05 2549 0.146E-02 0.219E-02 RMM: 9 -0.353868342867E+03 0.42172E-06 -0.70721E-06 2439 0.742E-03 6184 T= 6247. E= 0.69800252E+03 F= 0.64632709E+03 E0= 0.67678620E+03 EK= 0.51675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354409867341E+03 -0.54152E+00 -0.16742E-01 8460 0.234E+01 0.214E-01 RMM: 2 -0.354419853661E+03 -0.99863E-02 -0.76076E-02 5329 0.627E-01 0.799E-01 RMM: 3 -0.354415554047E+03 0.42996E-02 -0.65504E-03 5706 0.162E-01 0.153E-01 RMM: 4 -0.354415658266E+03 -0.10422E-03 -0.75055E-04 4634 0.649E-02 0.228E-01 RMM: 5 -0.354415355411E+03 0.30285E-03 -0.19035E-04 3882 0.344E-02 0.101E-01 RMM: 6 -0.354415292686E+03 0.62726E-04 -0.44636E-05 3169 0.197E-02 0.367E-02 RMM: 7 -0.354415304535E+03 -0.11850E-04 -0.26858E-05 2589 0.149E-02 6185 T= 6608. E= 0.70057411E+03 F= 0.64590795E+03 E0= 0.67633002E+03 EK= 0.54666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355018953290E+03 -0.60366E+00 -0.17458E-01 8508 0.239E+01 0.211E-01 RMM: 2 -0.355028067666E+03 -0.91144E-02 -0.78487E-02 5410 0.630E-01 0.675E-01 RMM: 3 -0.355024826646E+03 0.32410E-02 -0.62480E-03 5753 0.160E-01 0.166E-01 RMM: 4 -0.355024940566E+03 -0.11392E-03 -0.69506E-04 4634 0.609E-02 0.237E-01 RMM: 5 -0.355024578004E+03 0.36256E-03 -0.18850E-04 3888 0.345E-02 0.690E-02 RMM: 6 -0.355024554879E+03 0.23124E-04 -0.27116E-05 2800 0.158E-02 0.409E-02 RMM: 7 -0.355024566914E+03 -0.12035E-04 -0.30281E-05 2627 0.152E-02 6186 T= 6911. E= 0.70259725E+03 F= 0.64542143E+03 E0= 0.67580161E+03 EK= 0.57176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355621250900E+03 -0.59670E+00 -0.17949E-01 8292 0.242E+01 0.212E-01 RMM: 2 -0.355631613500E+03 -0.10363E-01 -0.87040E-02 5337 0.660E-01 0.720E-01 RMM: 3 -0.355627870960E+03 0.37425E-02 -0.72178E-03 5838 0.167E-01 0.158E-01 RMM: 4 -0.355627964210E+03 -0.93250E-04 -0.74715E-04 4641 0.647E-02 0.234E-01 RMM: 5 -0.355627631912E+03 0.33230E-03 -0.20395E-04 3881 0.363E-02 0.920E-02 RMM: 6 -0.355627579439E+03 0.52473E-04 -0.44788E-05 3162 0.200E-02 0.353E-02 RMM: 7 -0.355627592349E+03 -0.12910E-04 -0.24392E-05 2564 0.139E-02 6187 T= 7024. E= 0.70304874E+03 F= 0.64493746E+03 E0= 0.67527354E+03 EK= 0.58111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356180359318E+03 -0.55278E+00 -0.17946E-01 8256 0.241E+01 0.203E-01 RMM: 2 -0.356190753719E+03 -0.10394E-01 -0.84743E-02 5372 0.643E-01 0.735E-01 RMM: 3 -0.356186674545E+03 0.40792E-02 -0.66912E-03 5783 0.168E-01 0.151E-01 RMM: 4 -0.356186739183E+03 -0.64637E-04 -0.63774E-04 4643 0.574E-02 0.205E-01 RMM: 5 -0.356186478433E+03 0.26075E-03 -0.14364E-04 3865 0.298E-02 0.834E-02 RMM: 6 -0.356186442265E+03 0.36168E-04 -0.42920E-05 3158 0.194E-02 0.434E-02 RMM: 7 -0.356186467561E+03 -0.25296E-04 -0.38188E-05 2888 0.165E-02 0.831E-02 RMM: 8 -0.356186428928E+03 0.38633E-04 -0.33193E-05 2696 0.173E-02 0.267E-02 RMM: 9 -0.356186428473E+03 0.45540E-06 -0.10828E-05 2450 0.929E-03 6188 T= 6893. E= 0.70152188E+03 F= 0.64449589E+03 E0= 0.67478789E+03 EK= 0.57026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356700023895E+03 -0.51359E+00 -0.17278E-01 8040 0.236E+01 0.180E-01 RMM: 2 -0.356709837650E+03 -0.98138E-02 -0.86941E-02 5257 0.640E-01 0.606E-01 RMM: 3 -0.356706694569E+03 0.31431E-02 -0.68172E-03 5856 0.166E-01 0.144E-01 RMM: 4 -0.356706717402E+03 -0.22833E-04 -0.57733E-04 4600 0.563E-02 0.190E-01 RMM: 5 -0.356706505372E+03 0.21203E-03 -0.15022E-04 3881 0.322E-02 0.873E-02 RMM: 6 -0.356706461072E+03 0.44300E-04 -0.50391E-05 3236 0.211E-02 0.390E-02 RMM: 7 -0.356706483134E+03 -0.22062E-04 -0.33492E-05 2724 0.164E-02 0.740E-02 RMM: 8 -0.356706450467E+03 0.32667E-04 -0.22728E-05 2555 0.149E-02 0.219E-02 RMM: 9 -0.356706449385E+03 0.10825E-05 -0.71991E-06 2437 0.729E-03 6189 T= 6579. E= 0.69852124E+03 F= 0.64409305E+03 E0= 0.67434431E+03 EK= 0.54428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357221814119E+03 -0.51536E+00 -0.16191E-01 8136 0.229E+01 0.166E-01 RMM: 2 -0.357231193829E+03 -0.93797E-02 -0.79442E-02 5384 0.612E-01 0.638E-01 RMM: 3 -0.357227813829E+03 0.33800E-02 -0.56216E-03 5937 0.150E-01 0.121E-01 RMM: 4 -0.357227794039E+03 0.19790E-04 -0.43333E-04 4479 0.483E-02 0.154E-01 RMM: 5 -0.357227646810E+03 0.14723E-03 -0.11126E-04 3859 0.293E-02 0.683E-02 RMM: 6 -0.357227640679E+03 0.61319E-05 -0.43135E-05 3138 0.191E-02 6190 T= 6216. E= 0.69511499E+03 F= 0.64368986E+03 E0= 0.67390685E+03 EK= 0.51425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357794210295E+03 -0.56656E+00 -0.15230E-01 7920 0.223E+01 0.263E-01 RMM: 2 -0.357814239741E+03 -0.20029E-01 -0.81972E-02 5248 0.643E-01 0.145E+00 RMM: 3 -0.357800302246E+03 0.13937E-01 -0.94259E-03 5382 0.223E-01 0.241E-01 RMM: 4 -0.357799960499E+03 0.34175E-03 -0.99593E-04 4688 0.637E-02 0.116E-01 RMM: 5 -0.357799937211E+03 0.23288E-04 -0.18014E-04 3884 0.362E-02 0.124E-01 RMM: 6 -0.357799851560E+03 0.85651E-04 -0.90991E-05 3713 0.266E-02 0.611E-02 RMM: 7 -0.357799917808E+03 -0.66249E-04 -0.78331E-05 3619 0.242E-02 0.117E-01 RMM: 8 -0.357799840438E+03 0.77370E-04 -0.43266E-05 3131 0.198E-02 0.420E-02 RMM: 9 -0.357799833429E+03 0.70090E-05 -0.14949E-05 2489 0.112E-02 6191 T= 5935. E= 0.69233114E+03 F= 0.64323631E+03 E0= 0.67342657E+03 EK= 0.49095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358456379151E+03 -0.65654E+00 -0.14637E-01 8076 0.220E+01 0.277E-01 RMM: 2 -0.358478837534E+03 -0.22458E-01 -0.73650E-02 5219 0.618E-01 0.161E+00 RMM: 3 -0.358461591874E+03 0.17246E-01 -0.95365E-03 5367 0.229E-01 0.250E-01 RMM: 4 -0.358461209414E+03 0.38246E-03 -0.11450E-03 4638 0.716E-02 0.123E-01 RMM: 5 -0.358461233124E+03 -0.23710E-04 -0.18139E-04 3878 0.349E-02 0.147E-01 RMM: 6 -0.358461090900E+03 0.14222E-03 -0.71176E-05 3496 0.249E-02 0.287E-02 RMM: 7 -0.358461112941E+03 -0.22041E-04 -0.30620E-05 2833 0.160E-02 0.690E-02 RMM: 8 -0.358461086503E+03 0.26438E-04 -0.23240E-05 2549 0.160E-02 0.212E-02 RMM: 9 -0.358461084673E+03 0.18302E-05 -0.53377E-06 2438 0.676E-03 6192 T= 5817. E= 0.69081410E+03 F= 0.64269310E+03 E0= 0.67286626E+03 EK= 0.48121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359221068060E+03 -0.75998E+00 -0.14770E-01 7992 0.220E+01 0.184E-01 RMM: 2 -0.359232248653E+03 -0.11181E-01 -0.72916E-02 5220 0.586E-01 0.868E-01 RMM: 3 -0.359226764154E+03 0.54845E-02 -0.64129E-03 5454 0.168E-01 0.161E-01 RMM: 4 -0.359226684653E+03 0.79501E-04 -0.63784E-04 4628 0.559E-02 0.143E-01 RMM: 5 -0.359226582012E+03 0.10264E-03 -0.12771E-04 3871 0.287E-02 0.958E-02 RMM: 6 -0.359226528556E+03 0.53457E-04 -0.45001E-05 3154 0.196E-02 0.444E-02 RMM: 7 -0.359226559774E+03 -0.31218E-04 -0.47576E-05 3184 0.194E-02 0.845E-02 RMM: 8 -0.359226515796E+03 0.43978E-04 -0.26628E-05 2697 0.162E-02 0.252E-02 RMM: 9 -0.359226513894E+03 0.19022E-05 -0.87889E-06 2446 0.819E-03 6193 T= 5892. E= 0.69078247E+03 F= 0.64204332E+03 E0= 0.67220924E+03 EK= 0.48739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360075819001E+03 -0.84930E+00 -0.14774E-01 8208 0.223E+01 0.198E-01 RMM: 2 -0.360085319864E+03 -0.95009E-02 -0.63809E-02 5255 0.571E-01 0.839E-01 RMM: 3 -0.360080490403E+03 0.48295E-02 -0.57855E-03 5658 0.158E-01 0.128E-01 RMM: 4 -0.360080531663E+03 -0.41260E-04 -0.60114E-04 4613 0.563E-02 0.179E-01 RMM: 5 -0.360080345121E+03 0.18654E-03 -0.13394E-04 3831 0.293E-02 0.819E-02 RMM: 6 -0.360080304735E+03 0.40385E-04 -0.32401E-05 2939 0.175E-02 0.301E-02 RMM: 7 -0.360080319289E+03 -0.14554E-04 -0.20403E-05 2539 0.129E-02 6194 T= 6137. E= 0.69207081E+03 F= 0.64130108E+03 E0= 0.67147021E+03 EK= 0.50770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360970618915E+03 -0.89031E+00 -0.15815E-01 8316 0.229E+01 0.181E-01 RMM: 2 -0.360979236787E+03 -0.86179E-02 -0.74534E-02 5184 0.612E-01 0.604E-01 RMM: 3 -0.360976510586E+03 0.27262E-02 -0.65476E-03 5754 0.157E-01 0.152E-01 RMM: 4 -0.360976514698E+03 -0.41125E-05 -0.57756E-04 4577 0.567E-02 0.195E-01 RMM: 5 -0.360976270666E+03 0.24403E-03 -0.15422E-04 3873 0.323E-02 0.591E-02 RMM: 6 -0.360976253903E+03 0.16764E-04 -0.22947E-05 2637 0.145E-02 6195 T= 6480. E= 0.69411987E+03 F= 0.64051161E+03 E0= 0.67069451E+03 EK= 0.53608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361840555456E+03 -0.86428E+00 -0.16764E-01 8184 0.236E+01 0.246E-01 RMM: 2 -0.361855684285E+03 -0.15129E-01 -0.87351E-02 5193 0.669E-01 0.111E+00 RMM: 3 -0.361847281444E+03 0.84028E-02 -0.88749E-03 5401 0.204E-01 0.229E-01 RMM: 4 -0.361847068435E+03 0.21301E-03 -0.10485E-03 4652 0.715E-02 0.171E-01 RMM: 5 -0.361846934736E+03 0.13370E-03 -0.20499E-04 3888 0.356E-02 0.119E-01 RMM: 6 -0.361846847044E+03 0.87693E-04 -0.60590E-05 3386 0.230E-02 0.420E-02 RMM: 7 -0.361846851714E+03 -0.46703E-05 -0.22748E-05 2542 0.139E-02 6196 T= 6800. E= 0.69599992E+03 F= 0.63974235E+03 E0= 0.66994908E+03 EK= 0.56258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362614243916E+03 -0.76740E+00 -0.17298E-01 8268 0.241E+01 0.242E-01 RMM: 2 -0.362628003425E+03 -0.13760E-01 -0.78138E-02 5266 0.647E-01 0.108E+00 RMM: 3 -0.362620080439E+03 0.79230E-02 -0.75638E-03 5406 0.192E-01 0.231E-01 RMM: 4 -0.362619893649E+03 0.18679E-03 -0.10567E-03 4634 0.735E-02 0.180E-01 RMM: 5 -0.362619741457E+03 0.15219E-03 -0.20100E-04 3874 0.365E-02 0.109E-01 RMM: 6 -0.362619666103E+03 0.75354E-04 -0.42684E-05 3106 0.201E-02 0.292E-02 RMM: 7 -0.362619664949E+03 0.11536E-05 -0.13336E-05 2482 0.105E-02 6197 T= 6965. E= 0.69668959E+03 F= 0.63906659E+03 E0= 0.66930624E+03 EK= 0.57623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363240102879E+03 -0.62044E+00 -0.17651E-01 8292 0.242E+01 0.237E-01 RMM: 2 -0.363254957011E+03 -0.14854E-01 -0.80193E-02 5256 0.646E-01 0.114E+00 RMM: 3 -0.363246086019E+03 0.88710E-02 -0.77755E-03 5423 0.193E-01 0.195E-01 RMM: 4 -0.363245948359E+03 0.13766E-03 -0.85420E-04 4644 0.639E-02 0.163E-01 RMM: 5 -0.363245821012E+03 0.12735E-03 -0.16785E-04 3872 0.325E-02 0.111E-01 RMM: 6 -0.363245742698E+03 0.78314E-04 -0.60975E-05 3372 0.230E-02 0.385E-02 RMM: 7 -0.363245751870E+03 -0.91717E-05 -0.23126E-05 2557 0.136E-02 6198 T= 6900. E= 0.69561338E+03 F= 0.63853458E+03 E0= 0.66881463E+03 EK= 0.57079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363712528038E+03 -0.46679E+00 -0.17755E-01 8004 0.240E+01 0.191E-01 RMM: 2 -0.363722619873E+03 -0.10092E-01 -0.78320E-02 5162 0.630E-01 0.752E-01 RMM: 3 -0.363718534362E+03 0.40855E-02 -0.70326E-03 5570 0.173E-01 0.151E-01 RMM: 4 -0.363718503668E+03 0.30694E-04 -0.61916E-04 4636 0.556E-02 0.165E-01 RMM: 5 -0.363718356646E+03 0.14702E-03 -0.12614E-04 3830 0.289E-02 0.825E-02 RMM: 6 -0.363718317091E+03 0.39555E-04 -0.34593E-05 2984 0.180E-02 0.321E-02 RMM: 7 -0.363718330908E+03 -0.13817E-04 -0.19669E-05 2530 0.129E-02 6199 T= 6634. E= 0.69303282E+03 F= 0.63815432E+03 E0= 0.66848014E+03 EK= 0.54878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364065941629E+03 -0.34762E+00 -0.17125E-01 8136 0.235E+01 0.192E-01 RMM: 2 -0.364077032452E+03 -0.11091E-01 -0.70056E-02 5248 0.599E-01 0.905E-01 RMM: 3 -0.364071285397E+03 0.57471E-02 -0.62026E-03 5457 0.168E-01 0.171E-01 RMM: 4 -0.364071149334E+03 0.13606E-03 -0.59400E-04 4633 0.534E-02 0.125E-01 RMM: 5 -0.364071078463E+03 0.70871E-04 -0.11596E-04 3851 0.274E-02 0.976E-02 RMM: 6 -0.364071021658E+03 0.56804E-04 -0.51375E-05 3259 0.211E-02 0.388E-02 RMM: 7 -0.364071048286E+03 -0.26628E-04 -0.31969E-05 2716 0.159E-02 0.809E-02 RMM: 8 -0.364071010025E+03 0.38261E-04 -0.31239E-05 2569 0.168E-02 0.283E-02 RMM: 9 -0.364071007094E+03 0.29317E-05 -0.10297E-05 2443 0.906E-03 6200 T= 6283. E= 0.68986996E+03 F= 0.63789288E+03 E0= 0.66826745E+03 EK= 0.51977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364354943295E+03 -0.28393E+00 -0.16728E-01 8052 0.229E+01 0.150E-01 RMM: 2 -0.364362539795E+03 -0.75965E-02 -0.62318E-02 5257 0.555E-01 0.616E-01 RMM: 3 -0.364359728277E+03 0.28115E-02 -0.47520E-03 5584 0.141E-01 0.112E-01 RMM: 4 -0.364359740567E+03 -0.12290E-04 -0.38943E-04 4228 0.450E-02 0.145E-01 RMM: 5 -0.364359607606E+03 0.13296E-03 -0.93984E-05 3745 0.273E-02 0.610E-02 RMM: 6 -0.364359592094E+03 0.15512E-04 -0.32388E-05 2895 0.170E-02 6201 T= 5979. E= 0.68715696E+03 F= 0.63769426E+03 E0= 0.66811918E+03 EK= 0.49463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364632263990E+03 -0.27266E+00 -0.15979E-01 7956 0.226E+01 0.239E-01 RMM: 2 -0.364649067605E+03 -0.16804E-01 -0.61737E-02 5238 0.575E-01 0.137E+00 RMM: 3 -0.364636804230E+03 0.12263E-01 -0.74560E-03 5358 0.199E-01 0.236E-01 RMM: 4 -0.364636449074E+03 0.35516E-03 -0.84105E-04 4653 0.604E-02 0.919E-02 RMM: 5 -0.364636446959E+03 0.21152E-05 -0.13437E-04 3874 0.295E-02 6202 T= 5817. E= 0.68562549E+03 F= 0.63750514E+03 E0= 0.66798097E+03 EK= 0.48120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364931302440E+03 -0.29485E+00 -0.15733E-01 8040 0.225E+01 0.252E-01 RMM: 2 -0.364953301187E+03 -0.21999E-01 -0.56657E-02 5235 0.541E-01 0.164E+00 RMM: 3 -0.364935368828E+03 0.17932E-01 -0.75843E-03 5370 0.206E-01 0.210E-01 RMM: 4 -0.364935112821E+03 0.25601E-03 -0.89164E-04 4639 0.625E-02 0.120E-01 RMM: 5 -0.364935071038E+03 0.41783E-04 -0.12810E-04 3879 0.284E-02 0.110E-01 RMM: 6 -0.364935004672E+03 0.66366E-04 -0.54151E-05 3279 0.217E-02 0.542E-02 RMM: 7 -0.364935057694E+03 -0.53022E-04 -0.64296E-05 3471 0.205E-02 0.108E-01 RMM: 8 -0.364934992284E+03 0.65410E-04 -0.63399E-05 3641 0.224E-02 0.304E-02 RMM: 9 -0.364934989213E+03 0.30710E-05 -0.10890E-05 2466 0.983E-03 6203 T= 5839. E= 0.68559861E+03 F= 0.63729069E+03 E0= 0.66781740E+03 EK= 0.48308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365255147179E+03 -0.32015E+00 -0.16683E-01 7968 0.228E+01 0.233E-01 RMM: 2 -0.365269418962E+03 -0.14272E-01 -0.72417E-02 4937 0.637E-01 0.118E+00 RMM: 3 -0.365260548132E+03 0.88708E-02 -0.82625E-03 5447 0.199E-01 0.191E-01 RMM: 4 -0.365260533514E+03 0.14618E-04 -0.96104E-04 4627 0.690E-02 0.197E-01 RMM: 5 -0.365260317675E+03 0.21584E-03 -0.18192E-04 3870 0.333E-02 0.947E-02 RMM: 6 -0.365260262516E+03 0.55159E-04 -0.39508E-05 3046 0.192E-02 0.276E-02 RMM: 7 -0.365260273538E+03 -0.11022E-04 -0.21732E-05 2516 0.139E-02 6204 T= 6042. E= 0.68702617E+03 F= 0.63704454E+03 E0= 0.66762211E+03 EK= 0.49982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365583683312E+03 -0.32342E+00 -0.16991E-01 8052 0.233E+01 0.178E-01 RMM: 2 -0.365591615440E+03 -0.79321E-02 -0.58762E-02 5262 0.568E-01 0.715E-01 RMM: 3 -0.365588166613E+03 0.34488E-02 -0.52773E-03 5560 0.150E-01 0.160E-01 RMM: 4 -0.365588067353E+03 0.99260E-04 -0.52742E-04 4596 0.530E-02 0.140E-01 RMM: 5 -0.365587952793E+03 0.11456E-03 -0.10511E-04 3775 0.262E-02 0.840E-02 RMM: 6 -0.365587911904E+03 0.40889E-04 -0.28938E-05 2807 0.168E-02 0.371E-02 RMM: 7 -0.365587920893E+03 -0.89886E-05 -0.26713E-05 2575 0.145E-02 6205 T= 6369. E= 0.68947693E+03 F= 0.63679031E+03 E0= 0.66741749E+03 EK= 0.52687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365864632486E+03 -0.27672E+00 -0.18323E-01 8088 0.240E+01 0.198E-01 RMM: 2 -0.365873669841E+03 -0.90374E-02 -0.66399E-02 5143 0.616E-01 0.783E-01 RMM: 3 -0.365869725112E+03 0.39447E-02 -0.65816E-03 5585 0.167E-01 0.163E-01 RMM: 4 -0.365869669489E+03 0.55623E-04 -0.64244E-04 4620 0.589E-02 0.171E-01 RMM: 5 -0.365869510509E+03 0.15898E-03 -0.13995E-04 3842 0.306E-02 0.865E-02 RMM: 6 -0.365869467122E+03 0.43387E-04 -0.31463E-05 2897 0.175E-02 0.339E-02 RMM: 7 -0.365869473835E+03 -0.67131E-05 -0.17833E-05 2498 0.123E-02 6206 T= 6714. E= 0.69212085E+03 F= 0.63657640E+03 E0= 0.66725097E+03 EK= 0.55544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366039191590E+03 -0.16972E+00 -0.19830E-01 8076 0.245E+01 0.196E-01 RMM: 2 -0.366048853033E+03 -0.96614E-02 -0.70848E-02 5244 0.631E-01 0.809E-01 RMM: 3 -0.366044609175E+03 0.42439E-02 -0.66446E-03 5567 0.169E-01 0.151E-01 RMM: 4 -0.366044576340E+03 0.32835E-04 -0.60964E-04 4634 0.561E-02 0.171E-01 RMM: 5 -0.366044407077E+03 0.16926E-03 -0.12786E-04 3828 0.295E-02 0.870E-02 RMM: 6 -0.366044360130E+03 0.46948E-04 -0.34412E-05 2973 0.179E-02 0.339E-02 RMM: 7 -0.366044359352E+03 0.77837E-06 -0.24046E-05 2528 0.141E-02 6207 T= 6943. E= 0.69390004E+03 F= 0.63646401E+03 E0= 0.66718123E+03 EK= 0.57436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366055333835E+03 -0.10974E-01 -0.20203E-01 7848 0.246E+01 0.190E-01 RMM: 2 -0.366066549534E+03 -0.11216E-01 -0.69699E-02 5153 0.629E-01 0.942E-01 RMM: 3 -0.366060721142E+03 0.58284E-02 -0.67158E-03 5549 0.173E-01 0.162E-01 RMM: 4 -0.366060628039E+03 0.93103E-04 -0.61120E-04 4632 0.566E-02 0.139E-01 RMM: 5 -0.366060515141E+03 0.11290E-03 -0.10793E-04 3730 0.264E-02 0.807E-02 RMM: 6 -0.366060478088E+03 0.37053E-04 -0.30362E-05 2843 0.172E-02 0.353E-02 RMM: 7 -0.366060486001E+03 -0.79133E-05 -0.22213E-05 2526 0.137E-02 6208 T= 6951. E= 0.69401182E+03 F= 0.63650615E+03 E0= 0.66725905E+03 EK= 0.57506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365893750877E+03 0.16673E+00 -0.19992E-01 7836 0.243E+01 0.177E-01 RMM: 2 -0.365902871757E+03 -0.91209E-02 -0.69300E-02 5103 0.620E-01 0.744E-01 RMM: 3 -0.365899086536E+03 0.37852E-02 -0.66213E-03 5563 0.172E-01 0.141E-01 RMM: 4 -0.365899027100E+03 0.59436E-04 -0.48890E-04 4623 0.495E-02 0.133E-01 RMM: 5 -0.365898923464E+03 0.10364E-03 -0.82129E-05 3589 0.242E-02 0.723E-02 RMM: 6 -0.365898894498E+03 0.28965E-04 -0.27081E-05 2688 0.162E-02 0.323E-02 RMM: 7 -0.365898902600E+03 -0.81023E-05 -0.24247E-05 2534 0.143E-02 6209 T= 6733. E= 0.69242432E+03 F= 0.63672268E+03 E0= 0.66750204E+03 EK= 0.55702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365573774791E+03 0.32512E+00 -0.19374E-01 7428 0.237E+01 0.159E-01 RMM: 2 -0.365583862179E+03 -0.10087E-01 -0.72073E-02 5075 0.625E-01 0.785E-01 RMM: 3 -0.365579546596E+03 0.43156E-02 -0.66751E-03 5550 0.168E-01 0.155E-01 RMM: 4 -0.365579392889E+03 0.15371E-03 -0.47334E-04 4586 0.500E-02 0.911E-02 RMM: 5 -0.365579342759E+03 0.50129E-04 -0.71982E-05 3464 0.235E-02 0.697E-02 RMM: 6 -0.365579320945E+03 0.21814E-04 -0.28121E-05 2658 0.165E-02 0.418E-02 RMM: 7 -0.365579336210E+03 -0.15265E-04 -0.27054E-05 2568 0.152E-02 6210 T= 6384. E= 0.68990645E+03 F= 0.63709440E+03 E0= 0.66789080E+03 EK= 0.52812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365140595402E+03 0.43873E+00 -0.18274E-01 7608 0.230E+01 0.161E-01 RMM: 2 -0.365149573242E+03 -0.89778E-02 -0.69405E-02 5036 0.629E-01 0.706E-01 RMM: 3 -0.365146154498E+03 0.34187E-02 -0.70439E-03 5601 0.174E-01 0.127E-01 RMM: 4 -0.365146046019E+03 0.10848E-03 -0.41578E-04 4595 0.451E-02 0.986E-02 RMM: 5 -0.365145991994E+03 0.54025E-04 -0.65938E-05 3433 0.243E-02 0.681E-02 RMM: 6 -0.365145972656E+03 0.19339E-04 -0.27492E-05 2614 0.159E-02 6211 T= 6039. E= 0.68753898E+03 F= 0.63757710E+03 E0= 0.66838129E+03 EK= 0.49962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364642078347E+03 0.50391E+00 -0.17245E-01 7476 0.225E+01 0.225E-01 RMM: 2 -0.364656938066E+03 -0.14860E-01 -0.66880E-02 5082 0.615E-01 0.120E+00 RMM: 3 -0.364647237198E+03 0.97009E-02 -0.81997E-03 5375 0.208E-01 0.223E-01 RMM: 4 -0.364646899884E+03 0.33731E-03 -0.76327E-04 4669 0.566E-02 0.805E-02 RMM: 5 -0.364646874344E+03 0.25540E-04 -0.93520E-05 3766 0.274E-02 0.762E-02 RMM: 6 -0.364646845443E+03 0.28900E-04 -0.28242E-05 2649 0.159E-02 0.510E-02 RMM: 7 -0.364646867074E+03 -0.21631E-04 -0.34131E-05 2876 0.172E-02 0.810E-02 RMM: 8 -0.364646829822E+03 0.37252E-04 -0.36295E-05 2685 0.163E-02 0.356E-02 RMM: 9 -0.364646826183E+03 0.36399E-05 -0.15126E-05 2471 0.112E-02 6212 T= 5812. E= 0.68620299E+03 F= 0.63812231E+03 E0= 0.66892617E+03 EK= 0.48081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364109935606E+03 0.53689E+00 -0.16531E-01 7344 0.222E+01 0.248E-01 RMM: 2 -0.364128190932E+03 -0.18255E-01 -0.66692E-02 5053 0.619E-01 0.141E+00 RMM: 3 -0.364114809381E+03 0.13382E-01 -0.85503E-03 5367 0.216E-01 0.212E-01 RMM: 4 -0.364114569247E+03 0.24013E-03 -0.96707E-04 4633 0.666E-02 0.127E-01 RMM: 5 -0.364114549836E+03 0.19411E-04 -0.15545E-04 3864 0.331E-02 6213 T= 5765. E= 0.68638703E+03 F= 0.63869665E+03 E0= 0.66949448E+03 EK= 0.47690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363555549663E+03 0.55902E+00 -0.16306E-01 7704 0.222E+01 0.163E-01 RMM: 2 -0.363565459793E+03 -0.99101E-02 -0.57069E-02 5169 0.549E-01 0.889E-01 RMM: 3 -0.363560105071E+03 0.53547E-02 -0.55928E-03 5383 0.164E-01 0.191E-01 RMM: 4 -0.363559874009E+03 0.23106E-03 -0.48469E-04 4627 0.456E-02 0.675E-02 RMM: 5 -0.363559834570E+03 0.39440E-04 -0.61329E-05 3334 0.221E-02 0.572E-02 RMM: 6 -0.363559831367E+03 0.32031E-05 -0.32094E-05 2712 0.164E-02 6214 T= 5912. E= 0.68819526E+03 F= 0.63928884E+03 E0= 0.67007342E+03 EK= 0.48906E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362965936278E+03 0.59390E+00 -0.16782E-01 7644 0.226E+01 0.267E-01 RMM: 2 -0.362986811201E+03 -0.20875E-01 -0.61472E-02 4957 0.594E-01 0.159E+00 RMM: 3 -0.362970388732E+03 0.16422E-01 -0.93228E-03 5348 0.232E-01 0.256E-01 RMM: 4 -0.362969968653E+03 0.42008E-03 -0.10651E-03 4625 0.671E-02 0.915E-02 RMM: 5 -0.362969974640E+03 -0.59872E-05 -0.13622E-04 3875 0.286E-02 6215 T= 6219. E= 0.69135694E+03 F= 0.63991134E+03 E0= 0.67067720E+03 EK= 0.51446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362306274826E+03 0.66369E+00 -0.16770E-01 7968 0.232E+01 0.275E-01 RMM: 2 -0.362326273848E+03 -0.19999E-01 -0.64509E-02 5271 0.598E-01 0.155E+00 RMM: 3 -0.362311046047E+03 0.15228E-01 -0.94194E-03 5334 0.233E-01 0.319E-01 RMM: 4 -0.362310376869E+03 0.66918E-03 -0.10792E-03 4639 0.696E-02 0.872E-02 RMM: 5 -0.362310340608E+03 0.36261E-04 -0.13578E-04 3882 0.299E-02 0.904E-02 RMM: 6 -0.362310292379E+03 0.48230E-04 -0.32577E-05 2826 0.176E-02 0.434E-02 RMM: 7 -0.362310295499E+03 -0.31201E-05 -0.21921E-05 2531 0.135E-02 6216 T= 6597. E= 0.69517538E+03 F= 0.64059902E+03 E0= 0.67134009E+03 EK= 0.54576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361538459742E+03 0.77183E+00 -0.17853E-01 7968 0.238E+01 0.191E-01 RMM: 2 -0.361550996086E+03 -0.12536E-01 -0.68596E-02 5001 0.613E-01 0.105E+00 RMM: 3 -0.361543860621E+03 0.71355E-02 -0.72542E-03 5393 0.185E-01 0.172E-01 RMM: 4 -0.361543730571E+03 0.13005E-03 -0.71547E-04 4641 0.587E-02 0.123E-01 RMM: 5 -0.361543646071E+03 0.84500E-04 -0.11910E-04 3808 0.290E-02 0.616E-02 RMM: 6 -0.361543625511E+03 0.20560E-04 -0.25886E-05 2657 0.156E-02 0.305E-02 RMM: 7 -0.361543628889E+03 -0.33776E-05 -0.12889E-05 2479 0.113E-02 6217 T= 6912. E= 0.69856699E+03 F= 0.64138958E+03 E0= 0.67210105E+03 EK= 0.57177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360644980939E+03 0.89864E+00 -0.18202E-01 8040 0.242E+01 0.183E-01 RMM: 2 -0.360656657198E+03 -0.11676E-01 -0.75959E-02 5149 0.639E-01 0.919E-01 RMM: 3 -0.360651013180E+03 0.56440E-02 -0.75267E-03 5525 0.180E-01 0.160E-01 RMM: 4 -0.360650878024E+03 0.13516E-03 -0.60484E-04 4646 0.548E-02 0.122E-01 RMM: 5 -0.360650769358E+03 0.10867E-03 -0.10199E-04 3765 0.263E-02 0.693E-02 RMM: 6 -0.360650745259E+03 0.24100E-04 -0.24983E-05 2581 0.151E-02 0.430E-02 RMM: 7 -0.360650738824E+03 0.64345E-05 -0.20488E-05 2525 0.127E-02 6218 T= 7028. E= 0.70044305E+03 F= 0.64230288E+03 E0= 0.67297937E+03 EK= 0.58140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359643991181E+03 0.10068E+01 -0.18116E-01 7848 0.241E+01 0.153E-01 RMM: 2 -0.359653340168E+03 -0.93490E-02 -0.66345E-02 5157 0.583E-01 0.766E-01 RMM: 3 -0.359649274967E+03 0.40652E-02 -0.61668E-03 5554 0.162E-01 0.160E-01 RMM: 4 -0.359649107297E+03 0.16767E-03 -0.45222E-04 4430 0.467E-02 0.789E-02 RMM: 5 -0.359649073135E+03 0.34162E-04 -0.60605E-05 3304 0.218E-02 0.628E-02 RMM: 6 -0.359649055134E+03 0.18001E-04 -0.21424E-05 2537 0.144E-02 6219 T= 6892. E= 0.70033648E+03 F= 0.64332205E+03 E0= 0.67396135E+03 EK= 0.57014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358594417265E+03 0.10547E+01 -0.17545E-01 8064 0.237E+01 0.199E-01 RMM: 2 -0.358609723366E+03 -0.15306E-01 -0.73407E-02 5142 0.602E-01 0.119E+00 RMM: 3 -0.358600111206E+03 0.96122E-02 -0.77714E-03 5368 0.197E-01 0.196E-01 RMM: 4 -0.358599882681E+03 0.22852E-03 -0.72662E-04 4707 0.550E-02 0.853E-02 RMM: 5 -0.358599843658E+03 0.39023E-04 -0.84678E-05 3633 0.242E-02 0.706E-02 RMM: 6 -0.358599818757E+03 0.24901E-04 -0.23054E-05 2572 0.145E-02 0.487E-02 RMM: 7 -0.358599823232E+03 -0.44749E-05 -0.20814E-05 2516 0.138E-02 6220 T= 6568. E= 0.69871898E+03 F= 0.64438615E+03 E0= 0.67498746E+03 EK= 0.54333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357580256709E+03 0.10196E+01 -0.16490E-01 8088 0.231E+01 0.231E-01 RMM: 2 -0.357595407889E+03 -0.15151E-01 -0.68610E-02 5155 0.601E-01 0.122E+00 RMM: 3 -0.357585441211E+03 0.99667E-02 -0.78793E-03 5384 0.200E-01 0.246E-01 RMM: 4 -0.357585077681E+03 0.36353E-03 -0.93361E-04 4642 0.666E-02 0.103E-01 RMM: 5 -0.357585085368E+03 -0.76867E-05 -0.14581E-04 3871 0.307E-02 6221 T= 6195. E= 0.69666178E+03 F= 0.64541323E+03 E0= 0.67597872E+03 EK= 0.51249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356676413778E+03 0.90866E+00 -0.15955E-01 8268 0.226E+01 0.183E-01 RMM: 2 -0.356691035452E+03 -0.14622E-01 -0.75835E-02 5303 0.594E-01 0.111E+00 RMM: 3 -0.356682441253E+03 0.85942E-02 -0.68086E-03 5388 0.179E-01 0.177E-01 RMM: 4 -0.356682238219E+03 0.20303E-03 -0.60249E-04 4775 0.481E-02 0.841E-02 RMM: 5 -0.356682182095E+03 0.56124E-04 -0.57726E-05 3265 0.209E-02 0.643E-02 RMM: 6 -0.356682169753E+03 0.12343E-04 -0.24994E-05 2530 0.148E-02 6222 T= 5909. E= 0.69521276E+03 F= 0.64632582E+03 E0= 0.67685806E+03 EK= 0.48887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355942494248E+03 0.73969E+00 -0.15583E-01 8136 0.223E+01 0.312E-01 RMM: 2 -0.355974896261E+03 -0.32402E-01 -0.74526E-02 5122 0.627E-01 0.204E+00 RMM: 3 -0.355947743671E+03 0.27153E-01 -0.12652E-02 5333 0.272E-01 0.287E-01 RMM: 4 -0.355947171354E+03 0.57232E-03 -0.13542E-03 4716 0.727E-02 0.756E-02 RMM: 5 -0.355947161844E+03 0.95098E-05 -0.14485E-04 3898 0.292E-02 6223 T= 5799. E= 0.69503848E+03 F= 0.64706767E+03 E0= 0.67757115E+03 EK= 0.47971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355399424636E+03 0.54775E+00 -0.15760E-01 8412 0.223E+01 0.275E-01 RMM: 2 -0.355428293110E+03 -0.28868E-01 -0.84412E-02 5238 0.622E-01 0.184E+00 RMM: 3 -0.355405723344E+03 0.22570E-01 -0.10924E-02 5349 0.245E-01 0.276E-01 RMM: 4 -0.355405216301E+03 0.50704E-03 -0.12703E-03 4722 0.723E-02 0.952E-02 RMM: 5 -0.355405189308E+03 0.26993E-04 -0.14133E-04 3903 0.290E-02 0.967E-02 RMM: 6 -0.355405131300E+03 0.58008E-04 -0.31214E-05 2797 0.168E-02 0.446E-02 RMM: 7 -0.355405133899E+03 -0.25987E-05 -0.20947E-05 2531 0.136E-02 6224 T= 5895. E= 0.69637796E+03 F= 0.64761364E+03 E0= 0.67809414E+03 EK= 0.48764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355047761052E+03 0.35737E+00 -0.17291E-01 8376 0.228E+01 0.219E-01 RMM: 2 -0.355064345572E+03 -0.16585E-01 -0.95981E-02 5044 0.674E-01 0.115E+00 RMM: 3 -0.355055323561E+03 0.90220E-02 -0.93554E-03 5455 0.203E-01 0.213E-01 RMM: 4 -0.355055058388E+03 0.26517E-03 -0.90910E-04 4716 0.637E-02 0.117E-01 RMM: 5 -0.355055041462E+03 0.16927E-04 -0.15232E-04 3853 0.299E-02 6225 T= 6177. E= 0.69906212E+03 F= 0.64796486E+03 E0= 0.67842863E+03 EK= 0.51097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354868344943E+03 0.18671E+00 -0.18115E-01 8448 0.234E+01 0.172E-01 RMM: 2 -0.354883207302E+03 -0.14862E-01 -0.10397E-01 5318 0.679E-01 0.924E-01 RMM: 3 -0.354876824363E+03 0.63829E-02 -0.81345E-03 5529 0.182E-01 0.163E-01 RMM: 4 -0.354876643726E+03 0.18064E-03 -0.65836E-04 4671 0.529E-02 0.104E-01 RMM: 5 -0.354876555067E+03 0.88660E-04 -0.88925E-05 3750 0.234E-02 0.665E-02 RMM: 6 -0.354876537903E+03 0.17163E-04 -0.22496E-05 2549 0.139E-02 6226 T= 6567. E= 0.70246679E+03 F= 0.64814196E+03 E0= 0.67859430E+03 EK= 0.54325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354831831188E+03 0.44724E-01 -0.18584E-01 8784 0.241E+01 0.253E-01 RMM: 2 -0.354855802809E+03 -0.23972E-01 -0.10597E-01 5186 0.707E-01 0.152E+00 RMM: 3 -0.354840050756E+03 0.15752E-01 -0.10825E-02 5380 0.234E-01 0.237E-01 RMM: 4 -0.354839701423E+03 0.34933E-03 -0.11182E-03 4874 0.642E-02 0.892E-02 RMM: 5 -0.354839646433E+03 0.54990E-04 -0.12286E-04 3830 0.287E-02 0.796E-02 RMM: 6 -0.354839613721E+03 0.32713E-04 -0.32259E-05 2792 0.167E-02 0.559E-02 RMM: 7 -0.354839627955E+03 -0.14235E-04 -0.38206E-05 2908 0.180E-02 6227 T= 6930. E= 0.70550722E+03 F= 0.64817519E+03 E0= 0.67862334E+03 EK= 0.57332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354913080174E+03 -0.73466E-01 -0.19218E-01 8844 0.246E+01 0.290E-01 RMM: 2 -0.354938330811E+03 -0.25251E-01 -0.12094E-01 5274 0.762E-01 0.154E+00 RMM: 3 -0.354922204480E+03 0.16126E-01 -0.11997E-02 5378 0.247E-01 0.300E-01 RMM: 4 -0.354921693572E+03 0.51091E-03 -0.15534E-03 4706 0.836E-02 0.148E-01 RMM: 5 -0.354921632496E+03 0.61076E-04 -0.25843E-04 3899 0.409E-02 0.130E-01 RMM: 6 -0.354921525120E+03 0.10738E-03 -0.69223E-05 3451 0.239E-02 0.368E-02 RMM: 7 -0.354921526929E+03 -0.18089E-05 -0.19769E-05 2538 0.131E-02 6228 T= 7116. E= 0.70695553E+03 F= 0.64808755E+03 E0= 0.67853686E+03 EK= 0.58868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355111505124E+03 -0.18998E+00 -0.20407E-01 8880 0.246E+01 0.234E-01 RMM: 2 -0.355132320582E+03 -0.20815E-01 -0.12558E-01 5281 0.764E-01 0.124E+00 RMM: 3 -0.355121483689E+03 0.10837E-01 -0.10838E-02 5476 0.222E-01 0.218E-01 RMM: 4 -0.355121149255E+03 0.33443E-03 -0.95797E-04 4874 0.619E-02 0.945E-02 RMM: 5 -0.355121099760E+03 0.49495E-04 -0.12378E-04 3841 0.283E-02 0.858E-02 RMM: 6 -0.355121057064E+03 0.42696E-04 -0.36215E-05 2931 0.178E-02 0.486E-02 RMM: 7 -0.355121061701E+03 -0.46368E-05 -0.38985E-05 2708 0.172E-02 6229 T= 7038. E= 0.70610704E+03 F= 0.64788022E+03 E0= 0.67833450E+03 EK= 0.58227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355453591013E+03 -0.33253E+00 -0.19876E-01 8724 0.242E+01 0.181E-01 RMM: 2 -0.355468174332E+03 -0.14583E-01 -0.11687E-01 5292 0.736E-01 0.814E-01 RMM: 3 -0.355463030235E+03 0.51441E-02 -0.90945E-03 5934 0.187E-01 0.162E-01 RMM: 4 -0.355462805036E+03 0.22520E-03 -0.60514E-04 4708 0.536E-02 0.109E-01 RMM: 5 -0.355462735296E+03 0.69740E-04 -0.86880E-05 3619 0.237E-02 0.662E-02 RMM: 6 -0.355462714737E+03 0.20559E-04 -0.21860E-05 2553 0.142E-02 0.397E-02 RMM: 7 -0.355462720630E+03 -0.58937E-05 -0.24453E-05 2543 0.145E-02 6230 T= 6738. E= 0.70326949E+03 F= 0.64752849E+03 E0= 0.67799100E+03 EK= 0.55741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355973518542E+03 -0.51080E+00 -0.18753E-01 8832 0.235E+01 0.180E-01 RMM: 2 -0.355986948345E+03 -0.13430E-01 -0.10548E-01 5292 0.686E-01 0.798E-01 RMM: 3 -0.355981919175E+03 0.50292E-02 -0.77537E-03 5730 0.178E-01 0.178E-01 RMM: 4 -0.355981723238E+03 0.19594E-03 -0.63007E-04 4642 0.544E-02 0.109E-01 RMM: 5 -0.355981667507E+03 0.55731E-04 -0.98731E-05 3675 0.244E-02 0.852E-02 RMM: 6 -0.355981623770E+03 0.43737E-04 -0.30013E-05 2831 0.170E-02 0.315E-02 RMM: 7 -0.355981625196E+03 -0.14263E-05 -0.17655E-05 2485 0.122E-02 6231 T= 6350. E= 0.69953137E+03 F= 0.64699691E+03 E0= 0.67746986E+03 EK= 0.52534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356692995803E+03 -0.71137E+00 -0.17429E-01 8796 0.229E+01 0.160E-01 RMM: 2 -0.356705060641E+03 -0.12065E-01 -0.95736E-02 5213 0.670E-01 0.746E-01 RMM: 3 -0.356700743783E+03 0.43169E-02 -0.75853E-03 5817 0.173E-01 0.143E-01 RMM: 4 -0.356700582392E+03 0.16139E-03 -0.50337E-04 4600 0.489E-02 0.961E-02 RMM: 5 -0.356700526235E+03 0.56157E-04 -0.73863E-05 3502 0.225E-02 0.672E-02 RMM: 6 -0.356700504035E+03 0.22200E-04 -0.21538E-05 2545 0.140E-02 0.373E-02 RMM: 7 -0.356700508223E+03 -0.41880E-05 -0.20907E-05 2525 0.132E-02 6232 T= 6021. E= 0.69607590E+03 F= 0.64626234E+03 E0= 0.67674838E+03 EK= 0.49814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357607647575E+03 -0.90714E+00 -0.15628E-01 8616 0.224E+01 0.153E-01 RMM: 2 -0.357618068996E+03 -0.10421E-01 -0.80960E-02 5216 0.610E-01 0.711E-01 RMM: 3 -0.357614061802E+03 0.40072E-02 -0.63027E-03 5743 0.161E-01 0.144E-01 RMM: 4 -0.357613918342E+03 0.14346E-03 -0.46552E-04 4426 0.479E-02 0.908E-02 RMM: 5 -0.357613876413E+03 0.41929E-04 -0.67177E-05 3421 0.222E-02 0.666E-02 RMM: 6 -0.357613852071E+03 0.24343E-04 -0.22904E-05 2567 0.150E-02 0.303E-02 RMM: 7 -0.357613855804E+03 -0.37334E-05 -0.13490E-05 2475 0.110E-02 6233 T= 5848. E= 0.69370647E+03 F= 0.64533004E+03 E0= 0.67583148E+03 EK= 0.48376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358674056800E+03 -0.10602E+01 -0.14805E-01 8580 0.223E+01 0.154E-01 RMM: 2 -0.358684354304E+03 -0.10298E-01 -0.78717E-02 5177 0.611E-01 0.730E-01 RMM: 3 -0.358680328118E+03 0.40262E-02 -0.67368E-03 5735 0.165E-01 0.142E-01 RMM: 4 -0.358680166348E+03 0.16177E-03 -0.46631E-04 4459 0.463E-02 0.829E-02 RMM: 5 -0.358680128711E+03 0.37637E-04 -0.64504E-05 3418 0.216E-02 0.663E-02 RMM: 6 -0.358680105543E+03 0.23169E-04 -0.22553E-05 2550 0.146E-02 0.341E-02 RMM: 7 -0.358680109296E+03 -0.37535E-05 -0.17245E-05 2504 0.121E-02 6234 T= 5865. E= 0.69276005E+03 F= 0.64424147E+03 E0= 0.67476102E+03 EK= 0.48519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359816301381E+03 -0.11362E+01 -0.14971E-01 8580 0.226E+01 0.162E-01 RMM: 2 -0.359827057452E+03 -0.10756E-01 -0.74121E-02 5224 0.601E-01 0.831E-01 RMM: 3 -0.359822187855E+03 0.48696E-02 -0.65861E-03 5576 0.168E-01 0.154E-01 RMM: 4 -0.359822014957E+03 0.17290E-03 -0.51973E-04 4523 0.478E-02 0.823E-02 RMM: 5 -0.359821979711E+03 0.35247E-04 -0.73216E-05 3571 0.233E-02 0.685E-02 RMM: 6 -0.359821954668E+03 0.25042E-04 -0.23276E-05 2575 0.147E-02 0.395E-02 RMM: 7 -0.359821957885E+03 -0.32168E-05 -0.20756E-05 2534 0.134E-02 6235 T= 6056. E= 0.69317286E+03 F= 0.64307411E+03 E0= 0.67361450E+03 EK= 0.50099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360927105373E+03 -0.11052E+01 -0.16143E-01 8688 0.232E+01 0.163E-01 RMM: 2 -0.360938168862E+03 -0.11063E-01 -0.82774E-02 5204 0.641E-01 0.781E-01 RMM: 3 -0.360933822261E+03 0.43466E-02 -0.76751E-03 5728 0.175E-01 0.159E-01 RMM: 4 -0.360933608758E+03 0.21350E-03 -0.52077E-04 4505 0.486E-02 0.881E-02 RMM: 5 -0.360933560710E+03 0.48048E-04 -0.78400E-05 3613 0.242E-02 0.699E-02 RMM: 6 -0.360933539761E+03 0.20949E-04 -0.22399E-05 2547 0.141E-02 0.497E-02 RMM: 7 -0.360933538587E+03 0.11743E-05 -0.25924E-05 2605 0.145E-02 6236 T= 6355. E= 0.69451083E+03 F= 0.64193409E+03 E0= 0.67249722E+03 EK= 0.52577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361886979530E+03 -0.95344E+00 -0.17227E-01 8652 0.238E+01 0.152E-01 RMM: 2 -0.361897595309E+03 -0.10616E-01 -0.85536E-02 5283 0.648E-01 0.716E-01 RMM: 3 -0.361893906486E+03 0.36888E-02 -0.74690E-03 5845 0.168E-01 0.144E-01 RMM: 4 -0.361893719705E+03 0.18678E-03 -0.47139E-04 4363 0.469E-02 0.987E-02 RMM: 5 -0.361893655385E+03 0.64320E-04 -0.76069E-05 3580 0.248E-02 0.669E-02 RMM: 6 -0.361893641731E+03 0.13654E-04 -0.22951E-05 2550 0.140E-02 6237 T= 6656. E= 0.69600247E+03 F= 0.64094283E+03 E0= 0.67152919E+03 EK= 0.55060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362584495830E+03 -0.69084E+00 -0.18150E-01 8532 0.242E+01 0.198E-01 RMM: 2 -0.362599117339E+03 -0.14622E-01 -0.92123E-02 5258 0.667E-01 0.101E+00 RMM: 3 -0.362591852241E+03 0.72651E-02 -0.84757E-03 5450 0.199E-01 0.213E-01 RMM: 4 -0.362591546340E+03 0.30590E-03 -0.78326E-04 4771 0.567E-02 0.889E-02 RMM: 5 -0.362591499925E+03 0.46415E-04 -0.93896E-05 3781 0.254E-02 0.727E-02 RMM: 6 -0.362591478932E+03 0.20993E-04 -0.24630E-05 2561 0.145E-02 0.622E-02 RMM: 7 -0.362591488836E+03 -0.99039E-05 -0.41821E-05 3038 0.184E-02 6238 T= 6834. E= 0.69674695E+03 F= 0.64021109E+03 E0= 0.67082068E+03 EK= 0.56536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362953628633E+03 -0.36215E+00 -0.18435E-01 8280 0.244E+01 0.199E-01 RMM: 2 -0.362968811248E+03 -0.15183E-01 -0.91020E-02 5215 0.673E-01 0.108E+00 RMM: 3 -0.362960706591E+03 0.81047E-02 -0.83621E-03 5520 0.197E-01 0.206E-01 RMM: 4 -0.362960414434E+03 0.29216E-03 -0.78178E-04 4696 0.598E-02 0.959E-02 RMM: 5 -0.362960374020E+03 0.40413E-04 -0.11831E-04 3867 0.287E-02 0.839E-02 RMM: 6 -0.362960334836E+03 0.39184E-04 -0.29353E-05 2696 0.165E-02 0.445E-02 RMM: 7 -0.362960340893E+03 -0.60568E-05 -0.27264E-05 2613 0.151E-02 6239 T= 6811. E= 0.69615206E+03 F= 0.63980535E+03 E0= 0.67043594E+03 EK= 0.56347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362991963507E+03 -0.31629E-01 -0.18833E-01 8460 0.241E+01 0.182E-01 RMM: 2 -0.363006406962E+03 -0.14443E-01 -0.98825E-02 5120 0.679E-01 0.942E-01 RMM: 3 -0.362999747528E+03 0.66594E-02 -0.86216E-03 5546 0.197E-01 0.173E-01 RMM: 4 -0.362999539609E+03 0.20792E-03 -0.67835E-04 4804 0.539E-02 0.928E-02 RMM: 5 -0.362999496760E+03 0.42848E-04 -0.93863E-05 3696 0.260E-02 0.770E-02 RMM: 6 -0.362999464330E+03 0.32430E-04 -0.32903E-05 2866 0.171E-02 0.445E-02 RMM: 7 -0.362999482682E+03 -0.18351E-04 -0.37462E-05 2746 0.167E-02 6240 T= 6598. E= 0.69431123E+03 F= 0.63972585E+03 E0= 0.67037296E+03 EK= 0.54585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362763332579E+03 0.23613E+00 -0.18176E-01 8340 0.236E+01 0.174E-01 RMM: 2 -0.362775741309E+03 -0.12409E-01 -0.97870E-02 5144 0.681E-01 0.770E-01 RMM: 3 -0.362771112819E+03 0.46285E-02 -0.84396E-03 5629 0.189E-01 0.152E-01 RMM: 4 -0.362770998755E+03 0.11406E-03 -0.61355E-04 4718 0.533E-02 0.129E-01 RMM: 5 -0.362770900650E+03 0.98106E-04 -0.94073E-05 3671 0.258E-02 0.682E-02 RMM: 6 -0.362770874566E+03 0.26083E-04 -0.26118E-05 2653 0.156E-02 0.364E-02 RMM: 7 -0.362770881324E+03 -0.67579E-05 -0.22195E-05 2548 0.136E-02 6241 T= 6290. E= 0.69194202E+03 F= 0.63991010E+03 E0= 0.67056911E+03 EK= 0.52032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362367011986E+03 0.40386E+00 -0.17404E-01 8400 0.231E+01 0.178E-01 RMM: 2 -0.362379592515E+03 -0.12581E-01 -0.10009E-01 5109 0.699E-01 0.764E-01 RMM: 3 -0.362375122795E+03 0.44697E-02 -0.88162E-03 5700 0.189E-01 0.142E-01 RMM: 4 -0.362375037280E+03 0.85515E-04 -0.65394E-04 4660 0.580E-02 0.152E-01 RMM: 5 -0.362374905648E+03 0.13163E-03 -0.12089E-04 3823 0.293E-02 0.798E-02 RMM: 6 -0.362374868067E+03 0.37581E-04 -0.31386E-05 2875 0.171E-02 0.348E-02 RMM: 7 -0.362374871483E+03 -0.34162E-05 -0.15706E-05 2502 0.118E-02 6242 T= 6007. E= 0.68995021E+03 F= 0.64025746E+03 E0= 0.67092390E+03 EK= 0.49693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361910084501E+03 0.46478E+00 -0.15963E-01 8340 0.226E+01 0.190E-01 RMM: 2 -0.361921665193E+03 -0.11581E-01 -0.87521E-02 5143 0.659E-01 0.796E-01 RMM: 3 -0.361917007498E+03 0.46577E-02 -0.80209E-03 5576 0.185E-01 0.161E-01 RMM: 4 -0.361916907795E+03 0.99703E-04 -0.64065E-04 4688 0.549E-02 0.141E-01 RMM: 5 -0.361916796758E+03 0.11104E-03 -0.11098E-04 3821 0.267E-02 0.857E-02 RMM: 6 -0.361916752235E+03 0.44523E-04 -0.33356E-05 2910 0.175E-02 0.383E-02 RMM: 7 -0.361916759615E+03 -0.73808E-05 -0.28241E-05 2606 0.152E-02 6243 T= 5847. E= 0.68903337E+03 F= 0.64066275E+03 E0= 0.67133266E+03 EK= 0.48371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361472889126E+03 0.44386E+00 -0.15267E-01 7860 0.225E+01 0.190E-01 RMM: 2 -0.361485968748E+03 -0.13080E-01 -0.83377E-02 5082 0.649E-01 0.961E-01 RMM: 3 -0.361479556996E+03 0.64118E-02 -0.81698E-03 5594 0.182E-01 0.145E-01 RMM: 4 -0.361479491518E+03 0.65478E-04 -0.69187E-04 4652 0.591E-02 0.150E-01 RMM: 5 -0.361479368759E+03 0.12276E-03 -0.11748E-04 3763 0.272E-02 0.803E-02 RMM: 6 -0.361479331227E+03 0.37531E-04 -0.28943E-05 2778 0.166E-02 0.322E-02 RMM: 7 -0.361479336375E+03 -0.51476E-05 -0.15589E-05 2494 0.117E-02 6244 T= 5862. E= 0.68953466E+03 F= 0.64104375E+03 E0= 0.67171414E+03 EK= 0.48491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361103458568E+03 0.37587E+00 -0.14727E-01 7824 0.227E+01 0.173E-01 RMM: 2 -0.361113053277E+03 -0.95947E-02 -0.69026E-02 5162 0.594E-01 0.765E-01 RMM: 3 -0.361108853052E+03 0.42002E-02 -0.63907E-03 5515 0.166E-01 0.152E-01 RMM: 4 -0.361108737498E+03 0.11555E-03 -0.50862E-04 4507 0.484E-02 0.105E-01 RMM: 5 -0.361108682289E+03 0.55209E-04 -0.85848E-05 3670 0.238E-02 0.824E-02 RMM: 6 -0.361108642161E+03 0.40128E-04 -0.32087E-05 2863 0.172E-02 0.370E-02 RMM: 7 -0.361108655704E+03 -0.13543E-04 -0.29060E-05 2613 0.157E-02 6245 T= 6054. E= 0.69143574E+03 F= 0.64135531E+03 E0= 0.67202420E+03 EK= 0.50080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360804592022E+03 0.30405E+00 -0.14934E-01 7908 0.232E+01 0.165E-01 RMM: 2 -0.360813281777E+03 -0.86898E-02 -0.60613E-02 5192 0.582E-01 0.772E-01 RMM: 3 -0.360809383524E+03 0.38983E-02 -0.57577E-03 5624 0.153E-01 0.158E-01 RMM: 4 -0.360809221293E+03 0.16223E-03 -0.44896E-04 4412 0.482E-02 0.958E-02 RMM: 5 -0.360809173196E+03 0.48097E-04 -0.84102E-05 3658 0.248E-02 0.725E-02 RMM: 6 -0.360809148433E+03 0.24763E-04 -0.28939E-05 2780 0.163E-02 0.431E-02 RMM: 7 -0.360809163262E+03 -0.14829E-04 -0.25376E-05 2566 0.149E-02 6246 T= 6375. E= 0.69433541E+03 F= 0.64159391E+03 E0= 0.67225929E+03 EK= 0.52742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360542700889E+03 0.26645E+00 -0.15362E-01 8148 0.238E+01 0.187E-01 RMM: 2 -0.360552776240E+03 -0.10075E-01 -0.63012E-02 5258 0.604E-01 0.893E-01 RMM: 3 -0.360547543293E+03 0.52329E-02 -0.60736E-03 5459 0.167E-01 0.154E-01 RMM: 4 -0.360547391006E+03 0.15229E-03 -0.51024E-04 4586 0.488E-02 0.986E-02 RMM: 5 -0.360547337053E+03 0.53953E-04 -0.93573E-05 3795 0.265E-02 0.731E-02 RMM: 6 -0.360547311695E+03 0.25358E-04 -0.33909E-05 2899 0.173E-02 0.508E-02 RMM: 7 -0.360547318698E+03 -0.70032E-05 -0.38115E-05 2899 0.182E-02 6247 T= 6724. E= 0.69742015E+03 F= 0.64179367E+03 E0= 0.67245393E+03 EK= 0.55626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360261076752E+03 0.28623E+00 -0.16432E-01 8196 0.244E+01 0.182E-01 RMM: 2 -0.360271664714E+03 -0.10588E-01 -0.73341E-02 5198 0.657E-01 0.856E-01 RMM: 3 -0.360266917631E+03 0.47471E-02 -0.71336E-03 5589 0.172E-01 0.180E-01 RMM: 4 -0.360266680003E+03 0.23763E-03 -0.52033E-04 4575 0.513E-02 0.947E-02 RMM: 5 -0.360266626561E+03 0.53442E-04 -0.97273E-05 3794 0.271E-02 0.760E-02 RMM: 6 -0.360266605513E+03 0.21048E-04 -0.33870E-05 2854 0.174E-02 0.571E-02 RMM: 7 -0.360266618144E+03 -0.12631E-04 -0.35845E-05 2811 0.174E-02 6248 T= 6963. E= 0.69961555E+03 F= 0.64201108E+03 E0= 0.67266395E+03 EK= 0.57604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359903972078E+03 0.36263E+00 -0.16680E-01 8160 0.246E+01 0.177E-01 RMM: 2 -0.359914132126E+03 -0.10160E-01 -0.73710E-02 5216 0.646E-01 0.803E-01 RMM: 3 -0.359909792544E+03 0.43396E-02 -0.69769E-03 5577 0.172E-01 0.158E-01 RMM: 4 -0.359909611305E+03 0.18124E-03 -0.48915E-04 4546 0.488E-02 0.982E-02 RMM: 5 -0.359909557812E+03 0.53493E-04 -0.91209E-05 3780 0.263E-02 0.780E-02 RMM: 6 -0.359909533153E+03 0.24659E-04 -0.35027E-05 2903 0.176E-02 0.561E-02 RMM: 7 -0.359909543066E+03 -0.99131E-05 -0.41340E-05 3008 0.185E-02 6249 T= 6983. E= 0.70006804E+03 F= 0.64230309E+03 E0= 0.67294668E+03 EK= 0.57765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359434580934E+03 0.47495E+00 -0.16655E-01 8064 0.245E+01 0.177E-01 RMM: 2 -0.359445144844E+03 -0.10564E-01 -0.71192E-02 5140 0.627E-01 0.858E-01 RMM: 3 -0.359440235871E+03 0.49090E-02 -0.68679E-03 5528 0.173E-01 0.191E-01 RMM: 4 -0.359439993373E+03 0.24250E-03 -0.53577E-04 4611 0.516E-02 0.871E-02 RMM: 5 -0.359439956782E+03 0.36591E-04 -0.92276E-05 3755 0.256E-02 0.801E-02 RMM: 6 -0.359439927484E+03 0.29298E-04 -0.34020E-05 2905 0.177E-02 0.507E-02 RMM: 7 -0.359439951252E+03 -0.23768E-04 -0.34856E-05 2817 0.169E-02 0.861E-02 RMM: 8 -0.359439906006E+03 0.45246E-04 -0.30607E-05 2668 0.167E-02 0.306E-02 RMM: 9 -0.359439902051E+03 0.39543E-05 -0.11122E-05 2447 0.933E-03 6250 T= 6768. E= 0.69869469E+03 F= 0.64270492E+03 E0= 0.67333775E+03 EK= 0.55990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358849066451E+03 0.59084E+00 -0.16274E-01 7884 0.240E+01 0.164E-01 RMM: 2 -0.358859071469E+03 -0.10005E-01 -0.75135E-02 4979 0.623E-01 0.746E-01 RMM: 3 -0.358855037187E+03 0.40343E-02 -0.72299E-03 5511 0.177E-01 0.143E-01 RMM: 4 -0.358854966272E+03 0.70915E-04 -0.53879E-04 4611 0.521E-02 0.125E-01 RMM: 5 -0.358854892719E+03 0.73553E-04 -0.10195E-04 3738 0.265E-02 0.914E-02 RMM: 6 -0.358854843200E+03 0.49518E-04 -0.40979E-05 3058 0.194E-02 0.332E-02 RMM: 7 -0.358854852248E+03 -0.90477E-05 -0.17530E-05 2525 0.126E-02 6251 T= 6411. E= 0.69625674E+03 F= 0.64321846E+03 E0= 0.67383898E+03 EK= 0.53038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358169649412E+03 0.68519E+00 -0.15456E-01 8136 0.234E+01 0.175E-01 RMM: 2 -0.358178445453E+03 -0.87960E-02 -0.71245E-02 5089 0.604E-01 0.666E-01 RMM: 3 -0.358175185794E+03 0.32597E-02 -0.66571E-03 5617 0.168E-01 0.150E-01 RMM: 4 -0.358175112517E+03 0.73277E-04 -0.48713E-04 4595 0.497E-02 0.141E-01 RMM: 5 -0.358174990159E+03 0.12236E-03 -0.95858E-05 3728 0.255E-02 0.739E-02 RMM: 6 -0.358174965406E+03 0.24753E-04 -0.32123E-05 2884 0.170E-02 0.494E-02 RMM: 7 -0.358174991702E+03 -0.26296E-04 -0.52369E-05 3252 0.188E-02 0.878E-02 RMM: 8 -0.358174945182E+03 0.46520E-04 -0.32819E-05 2678 0.168E-02 0.271E-02 RMM: 9 -0.358174942387E+03 0.27953E-05 -0.10136E-05 2445 0.893E-03 6252 T= 6050. E= 0.69387443E+03 F= 0.64382257E+03 E0= 0.67443145E+03 EK= 0.50052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357422060626E+03 0.75288E+00 -0.15121E-01 8100 0.229E+01 0.171E-01 RMM: 2 -0.357430500903E+03 -0.84403E-02 -0.69059E-02 5106 0.584E-01 0.644E-01 RMM: 3 -0.357427307680E+03 0.31932E-02 -0.58121E-03 5564 0.159E-01 0.142E-01 RMM: 4 -0.357427304779E+03 0.29009E-05 -0.54180E-04 4598 0.543E-02 0.164E-01 RMM: 5 -0.357427158197E+03 0.14658E-03 -0.11905E-04 3804 0.283E-02 0.914E-02 RMM: 6 -0.357427105984E+03 0.52213E-04 -0.36545E-05 2986 0.187E-02 0.296E-02 RMM: 7 -0.357427111924E+03 -0.59405E-05 -0.17268E-05 2508 0.119E-02 6253 T= 5802. E= 0.69248617E+03 F= 0.64449042E+03 E0= 0.67508878E+03 EK= 0.47996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356630309948E+03 0.79680E+00 -0.15003E-01 8424 0.227E+01 0.169E-01 RMM: 2 -0.356638614389E+03 -0.83044E-02 -0.64571E-02 5400 0.550E-01 0.670E-01 RMM: 3 -0.356635149830E+03 0.34646E-02 -0.45607E-03 5545 0.142E-01 0.157E-01 RMM: 4 -0.356635086392E+03 0.63438E-04 -0.47332E-04 4541 0.493E-02 0.140E-01 RMM: 5 -0.356634977668E+03 0.10872E-03 -0.94987E-05 3735 0.248E-02 0.818E-02 RMM: 6 -0.356634940607E+03 0.37061E-04 -0.27543E-05 2776 0.162E-02 0.413E-02 RMM: 7 -0.356634963593E+03 -0.22986E-04 -0.37521E-05 2954 0.165E-02 0.798E-02 RMM: 8 -0.356634924528E+03 0.39065E-04 -0.37212E-05 2790 0.176E-02 0.253E-02 RMM: 9 -0.356634922298E+03 0.22297E-05 -0.93541E-06 2440 0.852E-03 6254 T= 5733. E= 0.69262815E+03 F= 0.64519934E+03 E0= 0.67578962E+03 EK= 0.47429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355808614798E+03 0.82631E+00 -0.15670E-01 8148 0.228E+01 0.178E-01 RMM: 2 -0.355818522734E+03 -0.99079E-02 -0.79298E-02 5227 0.607E-01 0.703E-01 RMM: 3 -0.355814710414E+03 0.38123E-02 -0.65161E-03 5712 0.157E-01 0.139E-01 RMM: 4 -0.355814699612E+03 0.10802E-04 -0.54608E-04 4568 0.546E-02 0.172E-01 RMM: 5 -0.355814525663E+03 0.17395E-03 -0.11893E-04 3829 0.274E-02 0.904E-02 RMM: 6 -0.355814476233E+03 0.49430E-04 -0.41430E-05 3087 0.194E-02 0.360E-02 RMM: 7 -0.355814486445E+03 -0.10212E-04 -0.22264E-05 2547 0.134E-02 6255 T= 5864. E= 0.69444865E+03 F= 0.64593463E+03 E0= 0.67651959E+03 EK= 0.48514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354974335697E+03 0.84014E+00 -0.16494E-01 8244 0.232E+01 0.180E-01 RMM: 2 -0.354984811966E+03 -0.10476E-01 -0.78649E-02 5341 0.611E-01 0.771E-01 RMM: 3 -0.354980438347E+03 0.43736E-02 -0.64117E-03 5810 0.159E-01 0.169E-01 RMM: 4 -0.354980251996E+03 0.18635E-03 -0.49941E-04 4569 0.498E-02 0.112E-01 RMM: 5 -0.354980181352E+03 0.70644E-04 -0.91106E-05 3712 0.243E-02 0.793E-02 RMM: 6 -0.354980153812E+03 0.27540E-04 -0.32223E-05 2914 0.171E-02 0.514E-02 RMM: 7 -0.354980181509E+03 -0.27697E-04 -0.44517E-05 3135 0.180E-02 0.909E-02 RMM: 8 -0.354980128526E+03 0.52983E-04 -0.35203E-05 2878 0.178E-02 0.261E-02 RMM: 9 -0.354980126216E+03 0.23095E-05 -0.95634E-06 2448 0.837E-03 6256 T= 6170. E= 0.69772225E+03 F= 0.64668350E+03 E0= 0.67726550E+03 EK= 0.51039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354149260012E+03 0.83087E+00 -0.17867E-01 8268 0.238E+01 0.213E-01 RMM: 2 -0.354162310848E+03 -0.13051E-01 -0.90453E-02 5357 0.660E-01 0.925E-01 RMM: 3 -0.354156125534E+03 0.61853E-02 -0.76991E-03 5681 0.178E-01 0.153E-01 RMM: 4 -0.354156055807E+03 0.69727E-04 -0.70264E-04 4655 0.587E-02 0.164E-01 RMM: 5 -0.354155903989E+03 0.15182E-03 -0.14066E-04 3873 0.300E-02 0.940E-02 RMM: 6 -0.354155852256E+03 0.51733E-04 -0.49142E-05 3203 0.206E-02 0.421E-02 RMM: 7 -0.354155866387E+03 -0.14131E-04 -0.28124E-05 2624 0.152E-02 6257 T= 6571. E= 0.70178269E+03 F= 0.64742301E+03 E0= 0.67800322E+03 EK= 0.54360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353383337489E+03 0.77251E+00 -0.18909E-01 8400 0.245E+01 0.189E-01 RMM: 2 -0.353396213757E+03 -0.12876E-01 -0.96700E-02 5424 0.674E-01 0.846E-01 RMM: 3 -0.353390975823E+03 0.52379E-02 -0.73859E-03 5836 0.169E-01 0.191E-01 RMM: 4 -0.353390713211E+03 0.26261E-03 -0.57248E-04 4676 0.524E-02 0.108E-01 RMM: 5 -0.353390631037E+03 0.82174E-04 -0.10525E-04 3853 0.261E-02 0.774E-02 RMM: 6 -0.353390618826E+03 0.12210E-04 -0.39367E-05 3020 0.183E-02 6258 T= 6939. E= 0.70551028E+03 F= 0.64810451E+03 E0= 0.67868186E+03 EK= 0.57406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352755082138E+03 0.63555E+00 -0.20262E-01 8280 0.248E+01 0.332E-01 RMM: 2 -0.352784820386E+03 -0.29738E-01 -0.12077E-01 5249 0.779E-01 0.176E+00 RMM: 3 -0.352764329124E+03 0.20491E-01 -0.15160E-02 5366 0.284E-01 0.339E-01 RMM: 4 -0.352763598804E+03 0.73032E-03 -0.16418E-03 4774 0.802E-02 0.119E-01 RMM: 5 -0.352763559066E+03 0.39738E-04 -0.22838E-04 3895 0.378E-02 0.122E-01 RMM: 6 -0.352763472374E+03 0.86693E-04 -0.79773E-05 3652 0.252E-02 0.643E-02 RMM: 7 -0.352763489361E+03 -0.16988E-04 -0.47567E-05 3141 0.200E-02 6259 T= 7131. E= 0.70764137E+03 F= 0.64864826E+03 E0= 0.67921992E+03 EK= 0.58993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352365816527E+03 0.39766E+00 -0.20227E-01 8232 0.248E+01 0.339E-01 RMM: 2 -0.352394445641E+03 -0.28629E-01 -0.11498E-01 5351 0.769E-01 0.174E+00 RMM: 3 -0.352374605426E+03 0.19840E-01 -0.14022E-02 5393 0.276E-01 0.421E-01 RMM: 4 -0.352373412439E+03 0.11930E-02 -0.17970E-03 4722 0.910E-02 0.123E-01 RMM: 5 -0.352373446859E+03 -0.34419E-04 -0.30644E-04 3931 0.440E-02 0.154E-01 RMM: 6 -0.352373293388E+03 0.15347E-03 -0.98728E-05 3806 0.280E-02 0.509E-02 RMM: 7 -0.352373293340E+03 0.47899E-07 -0.26704E-05 2662 0.152E-02 6260 T= 7068. E= 0.70742149E+03 F= 0.64895408E+03 E0= 0.67951461E+03 EK= 0.58467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352297535054E+03 0.75758E-01 -0.20831E-01 8340 0.244E+01 0.405E-01 RMM: 2 -0.352340836366E+03 -0.43301E-01 -0.13387E-01 5102 0.853E-01 0.226E+00 RMM: 3 -0.352307359302E+03 0.33477E-01 -0.20159E-02 5351 0.340E-01 0.405E-01 RMM: 4 -0.352306261397E+03 0.10979E-02 -0.22254E-03 4969 0.949E-02 0.132E-01 RMM: 5 -0.352306252266E+03 0.91309E-05 -0.33042E-04 3985 0.430E-02 0.143E-01 RMM: 6 -0.352306124539E+03 0.12773E-03 -0.10616E-04 3866 0.285E-02 0.568E-02 RMM: 7 -0.352306121381E+03 0.31584E-05 -0.27353E-05 2677 0.155E-02 6261 T= 6788. E= 0.70508609E+03 F= 0.64893424E+03 E0= 0.67947793E+03 EK= 0.56152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352599116873E+03 -0.29299E+00 -0.18499E-01 8208 0.238E+01 0.310E-01 RMM: 2 -0.352622498872E+03 -0.23382E-01 -0.10608E-01 5224 0.741E-01 0.151E+00 RMM: 3 -0.352607079111E+03 0.15420E-01 -0.12865E-02 5348 0.265E-01 0.330E-01 RMM: 4 -0.352606389686E+03 0.68942E-03 -0.14142E-03 4714 0.784E-02 0.128E-01 RMM: 5 -0.352606415410E+03 -0.25724E-04 -0.26074E-04 3919 0.412E-02 0.153E-01 RMM: 6 -0.352606260795E+03 0.15461E-03 -0.94838E-05 3724 0.273E-02 0.465E-02 RMM: 7 -0.352606267708E+03 -0.69129E-05 -0.34837E-05 2921 0.175E-02 6262 T= 6420. E= 0.70165224E+03 F= 0.64854301E+03 E0= 0.67906456E+03 EK= 0.53109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353257517800E+03 -0.65126E+00 -0.17433E-01 8100 0.232E+01 0.294E-01 RMM: 2 -0.353281432060E+03 -0.23914E-01 -0.95077E-02 5210 0.707E-01 0.158E+00 RMM: 3 -0.353264651829E+03 0.16780E-01 -0.11371E-02 5370 0.246E-01 0.274E-01 RMM: 4 -0.353264218525E+03 0.43330E-03 -0.13126E-03 4694 0.764E-02 0.140E-01 RMM: 5 -0.353264219354E+03 -0.82914E-06 -0.23396E-04 3893 0.381E-02 0.151E-01 RMM: 6 -0.353264073165E+03 0.14619E-03 -0.97513E-05 3741 0.283E-02 0.454E-02 RMM: 7 -0.353264073679E+03 -0.51404E-06 -0.22479E-05 2576 0.142E-02 6263 T= 6102. E= 0.69827251E+03 F= 0.64778919E+03 E0= 0.67828395E+03 EK= 0.50483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354218781970E+03 -0.95471E+00 -0.16508E-01 8028 0.229E+01 0.256E-01 RMM: 2 -0.354236471009E+03 -0.17689E-01 -0.85679E-02 5218 0.669E-01 0.130E+00 RMM: 3 -0.354225245199E+03 0.11226E-01 -0.93106E-03 5376 0.220E-01 0.272E-01 RMM: 4 -0.354224796947E+03 0.44825E-03 -0.10152E-03 4674 0.673E-02 0.112E-01 RMM: 5 -0.354224811780E+03 -0.14833E-04 -0.20129E-04 3891 0.367E-02 0.135E-01 RMM: 6 -0.354224693461E+03 0.11832E-03 -0.78964E-05 3583 0.252E-02 0.469E-02 RMM: 7 -0.354224709710E+03 -0.16249E-04 -0.37542E-05 2968 0.178E-02 6264 T= 5927. E= 0.69575948E+03 F= 0.64672756E+03 E0= 0.67719305E+03 EK= 0.49032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355399073959E+03 -0.11744E+01 -0.16124E-01 7896 0.228E+01 0.235E-01 RMM: 2 -0.355415143532E+03 -0.16070E-01 -0.75476E-02 5282 0.634E-01 0.123E+00 RMM: 3 -0.355404923667E+03 0.10220E-01 -0.80161E-03 5395 0.202E-01 0.234E-01 RMM: 4 -0.355404621992E+03 0.30168E-03 -0.89989E-04 4661 0.635E-02 0.121E-01 RMM: 5 -0.355404582883E+03 0.39109E-04 -0.17477E-04 3878 0.343E-02 0.119E-01 RMM: 6 -0.355404497898E+03 0.84985E-04 -0.78977E-05 3601 0.255E-02 0.495E-02 RMM: 7 -0.355404532733E+03 -0.34834E-04 -0.43937E-05 3102 0.189E-02 0.935E-02 RMM: 8 -0.355404483122E+03 0.49610E-04 -0.29996E-05 2649 0.173E-02 0.430E-02 RMM: 9 -0.355404472039E+03 0.11083E-04 -0.12390E-05 2465 0.104E-02 6265 T= 5927. E= 0.69447596E+03 F= 0.64544250E+03 E0= 0.67587603E+03 EK= 0.49033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356701596309E+03 -0.12971E+01 -0.16158E-01 8052 0.230E+01 0.223E-01 RMM: 2 -0.356716420602E+03 -0.14824E-01 -0.76373E-02 5315 0.640E-01 0.116E+00 RMM: 3 -0.356707337177E+03 0.90834E-02 -0.71095E-03 5436 0.185E-01 0.181E-01 RMM: 4 -0.356707182242E+03 0.15493E-03 -0.74419E-04 4658 0.594E-02 0.137E-01 RMM: 5 -0.356707093664E+03 0.88578E-04 -0.16640E-04 3874 0.343E-02 0.103E-01 RMM: 6 -0.356707033743E+03 0.59921E-04 -0.74720E-05 3547 0.248E-02 0.495E-02 RMM: 7 -0.356707062655E+03 -0.28911E-04 -0.35618E-05 2908 0.175E-02 0.877E-02 RMM: 8 -0.356707011991E+03 0.50664E-04 -0.25124E-05 2606 0.160E-02 0.258E-02 RMM: 9 -0.356707008651E+03 0.33397E-05 -0.78159E-06 2441 0.784E-03 6266 T= 6087. E= 0.69439007E+03 F= 0.64403147E+03 E0= 0.67443244E+03 EK= 0.50359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358026793616E+03 -0.13198E+01 -0.16706E-01 8172 0.234E+01 0.202E-01 RMM: 2 -0.358038455586E+03 -0.11662E-01 -0.76469E-02 5348 0.658E-01 0.930E-01 RMM: 3 -0.358032748968E+03 0.57066E-02 -0.67445E-03 5638 0.169E-01 0.184E-01 RMM: 4 -0.358032512910E+03 0.23606E-03 -0.58652E-04 4629 0.554E-02 0.119E-01 RMM: 5 -0.358032416049E+03 0.96861E-04 -0.13390E-04 3874 0.313E-02 0.803E-02 RMM: 6 -0.358032408541E+03 0.75080E-05 -0.57659E-05 3361 0.217E-02 6267 T= 6349. E= 0.69512123E+03 F= 0.64259539E+03 E0= 0.67296340E+03 EK= 0.52526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359282794419E+03 -0.12504E+01 -0.17033E-01 8052 0.239E+01 0.307E-01 RMM: 2 -0.359307986128E+03 -0.25192E-01 -0.81489E-02 5357 0.680E-01 0.171E+00 RMM: 3 -0.359288692276E+03 0.19294E-01 -0.10915E-02 5363 0.250E-01 0.273E-01 RMM: 4 -0.359288215428E+03 0.47685E-03 -0.11976E-03 4660 0.695E-02 0.119E-01 RMM: 5 -0.359288135258E+03 0.80171E-04 -0.19359E-04 3887 0.377E-02 0.108E-01 RMM: 6 -0.359288081148E+03 0.54110E-04 -0.10066E-04 3874 0.279E-02 0.796E-02 RMM: 7 -0.359288143205E+03 -0.62057E-04 -0.10936E-04 3877 0.285E-02 0.131E-01 RMM: 8 -0.359288034730E+03 0.10847E-03 -0.55404E-05 3353 0.215E-02 0.520E-02 RMM: 9 -0.359288021362E+03 0.13368E-04 -0.18643E-05 2526 0.124E-02 6268 T= 6619. E= 0.69598717E+03 F= 0.64122740E+03 E0= 0.67156429E+03 EK= 0.54760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360396496128E+03 -0.11085E+01 -0.17361E-01 7908 0.243E+01 0.313E-01 RMM: 2 -0.360421753701E+03 -0.25258E-01 -0.85779E-02 5350 0.710E-01 0.171E+00 RMM: 3 -0.360402633828E+03 0.19120E-01 -0.10709E-02 5368 0.247E-01 0.315E-01 RMM: 4 -0.360401990950E+03 0.64288E-03 -0.14662E-03 4649 0.848E-02 0.141E-01 RMM: 5 -0.360401968520E+03 0.22430E-04 -0.26069E-04 3891 0.433E-02 0.152E-01 RMM: 6 -0.360401820771E+03 0.14775E-03 -0.93337E-05 3718 0.281E-02 0.421E-02 RMM: 7 -0.360401842773E+03 -0.22003E-04 -0.51076E-05 3196 0.202E-02 0.795E-02 RMM: 8 -0.360401801827E+03 0.40946E-04 -0.26801E-05 2687 0.172E-02 0.253E-02 RMM: 9 -0.360401798796E+03 0.30308E-05 -0.80348E-06 2441 0.791E-03 6269 T= 6792. E= 0.69619007E+03 F= 0.63999927E+03 E0= 0.67030734E+03 EK= 0.56191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361330945689E+03 -0.92914E+00 -0.17432E-01 7752 0.243E+01 0.216E-01 RMM: 2 -0.361345456333E+03 -0.14511E-01 -0.80399E-02 5257 0.668E-01 0.111E+00 RMM: 3 -0.361337272027E+03 0.81843E-02 -0.77128E-03 5408 0.193E-01 0.192E-01 RMM: 4 -0.361337086230E+03 0.18580E-03 -0.74047E-04 4660 0.580E-02 0.122E-01 RMM: 5 -0.361336991465E+03 0.94765E-04 -0.15354E-04 3879 0.333E-02 0.987E-02 RMM: 6 -0.361336952204E+03 0.39261E-04 -0.77096E-05 3559 0.243E-02 0.723E-02 RMM: 7 -0.361336974913E+03 -0.22708E-04 -0.81188E-05 3841 0.243E-02 0.102E-01 RMM: 8 -0.361336904709E+03 0.70204E-04 -0.33213E-05 2991 0.174E-02 0.299E-02 RMM: 9 -0.361336901304E+03 0.34045E-05 -0.12703E-05 2464 0.992E-03 6270 T= 6797. E= 0.69517733E+03 F= 0.63894683E+03 E0= 0.66922945E+03 EK= 0.56230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362093213767E+03 -0.75631E+00 -0.16669E-01 7608 0.240E+01 0.195E-01 RMM: 2 -0.362103688672E+03 -0.10475E-01 -0.70369E-02 5232 0.625E-01 0.857E-01 RMM: 3 -0.362098635211E+03 0.50535E-02 -0.59796E-03 5528 0.162E-01 0.152E-01 RMM: 4 -0.362098591612E+03 0.43599E-04 -0.59580E-04 4622 0.574E-02 0.161E-01 RMM: 5 -0.362098433813E+03 0.15780E-03 -0.14606E-04 3869 0.321E-02 0.825E-02 RMM: 6 -0.362098406528E+03 0.27285E-04 -0.56326E-05 3316 0.219E-02 0.578E-02 RMM: 7 -0.362098422371E+03 -0.15843E-04 -0.39891E-05 2986 0.183E-02 6271 T= 6636. E= 0.69295984E+03 F= 0.63806355E+03 E0= 0.66832508E+03 EK= 0.54896E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362720291621E+03 -0.62189E+00 -0.16314E-01 7764 0.236E+01 0.183E-01 RMM: 2 -0.362728477347E+03 -0.81857E-02 -0.71270E-02 5091 0.627E-01 0.589E-01 RMM: 3 -0.362725947961E+03 0.25294E-02 -0.63243E-03 5573 0.162E-01 0.148E-01 RMM: 4 -0.362725998392E+03 -0.50431E-04 -0.56940E-04 4623 0.580E-02 0.197E-01 RMM: 5 -0.362725737327E+03 0.26106E-03 -0.17457E-04 3882 0.344E-02 0.727E-02 RMM: 6 -0.362725747201E+03 -0.98740E-05 -0.74458E-05 3509 0.237E-02 6272 T= 6381. E= 0.69009915E+03 F= 0.63730870E+03 E0= 0.66755419E+03 EK= 0.52790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363270093956E+03 -0.54436E+00 -0.15340E-01 7308 0.231E+01 0.286E-01 RMM: 2 -0.363289131076E+03 -0.19037E-01 -0.71157E-02 5097 0.649E-01 0.146E+00 RMM: 3 -0.363275097365E+03 0.14034E-01 -0.96904E-03 5356 0.234E-01 0.244E-01 RMM: 4 -0.363274798726E+03 0.29864E-03 -0.10987E-03 4660 0.710E-02 0.149E-01 RMM: 5 -0.363274783802E+03 0.14924E-04 -0.21985E-04 3895 0.380E-02 0.155E-01 RMM: 6 -0.363274632286E+03 0.15152E-03 -0.10866E-04 3810 0.300E-02 0.516E-02 RMM: 7 -0.363274656486E+03 -0.24200E-04 -0.47286E-05 3166 0.198E-02 0.831E-02 RMM: 8 -0.363274619793E+03 0.36693E-04 -0.26926E-05 2645 0.164E-02 0.465E-02 RMM: 9 -0.363274606507E+03 0.13286E-04 -0.11862E-05 2467 0.106E-02 6273 T= 6134. E= 0.68737199E+03 F= 0.63662575E+03 E0= 0.66685992E+03 EK= 0.50746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363793437910E+03 -0.51882E+00 -0.14508E-01 7308 0.227E+01 0.291E-01 RMM: 2 -0.363812456913E+03 -0.19019E-01 -0.60481E-02 5111 0.608E-01 0.150E+00 RMM: 3 -0.363797667286E+03 0.14790E-01 -0.92350E-03 5341 0.232E-01 0.279E-01 RMM: 4 -0.363797236668E+03 0.43062E-03 -0.12143E-03 4669 0.781E-02 0.147E-01 RMM: 5 -0.363797250951E+03 -0.14283E-04 -0.22008E-04 3889 0.390E-02 0.167E-01 RMM: 6 -0.363797065974E+03 0.18498E-03 -0.85384E-05 3621 0.276E-02 0.359E-02 RMM: 7 -0.363797088919E+03 -0.22944E-04 -0.45039E-05 3107 0.190E-02 0.742E-02 RMM: 8 -0.363797054757E+03 0.34161E-04 -0.27330E-05 2692 0.173E-02 0.249E-02 RMM: 9 -0.363797051617E+03 0.31405E-05 -0.69672E-06 2437 0.764E-03 6274 T= 5979. E= 0.68542185E+03 F= 0.63596270E+03 E0= 0.66619015E+03 EK= 0.49459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364325244261E+03 -0.52819E+00 -0.14557E-01 7584 0.226E+01 0.218E-01 RMM: 2 -0.364337124053E+03 -0.11880E-01 -0.60226E-02 5108 0.591E-01 0.106E+00 RMM: 3 -0.364329724725E+03 0.73993E-02 -0.63680E-03 5390 0.179E-01 0.181E-01 RMM: 4 -0.364329655394E+03 0.69331E-04 -0.74794E-04 4614 0.621E-02 0.163E-01 RMM: 5 -0.364329517760E+03 0.13763E-03 -0.18024E-04 3875 0.354E-02 0.105E-01 RMM: 6 -0.364329459111E+03 0.58649E-04 -0.69321E-05 3480 0.239E-02 0.564E-02 RMM: 7 -0.364329483256E+03 -0.24145E-04 -0.48587E-05 3212 0.205E-02 0.889E-02 RMM: 8 -0.364329432681E+03 0.50575E-04 -0.25123E-05 2755 0.165E-02 0.229E-02 RMM: 9 -0.364329431109E+03 0.15719E-05 -0.71966E-06 2440 0.735E-03 6275 T= 5961. E= 0.68459591E+03 F= 0.63528417E+03 E0= 0.66550934E+03 EK= 0.49312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364883444231E+03 -0.55401E+00 -0.14651E-01 7620 0.228E+01 0.193E-01 RMM: 2 -0.364891412391E+03 -0.79682E-02 -0.52980E-02 5183 0.562E-01 0.792E-01 RMM: 3 -0.364887314009E+03 0.40984E-02 -0.50669E-03 5462 0.154E-01 0.140E-01 RMM: 4 -0.364887311374E+03 0.26345E-05 -0.51696E-04 4582 0.535E-02 0.162E-01 RMM: 5 -0.364887174855E+03 0.13652E-03 -0.16341E-04 3871 0.347E-02 0.101E-01 RMM: 6 -0.364887128161E+03 0.46694E-04 -0.78086E-05 3550 0.250E-02 0.610E-02 RMM: 7 -0.364887150331E+03 -0.22170E-04 -0.38656E-05 3018 0.185E-02 0.890E-02 RMM: 8 -0.364887097867E+03 0.52464E-04 -0.22805E-05 2627 0.158E-02 0.194E-02 RMM: 9 -0.364887096589E+03 0.12776E-05 -0.68242E-06 2435 0.718E-03 6276 T= 6085. E= 0.68491900E+03 F= 0.63457631E+03 E0= 0.66480369E+03 EK= 0.50343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365457651585E+03 -0.57055E+00 -0.15335E-01 7704 0.232E+01 0.163E-01 RMM: 2 -0.365464380593E+03 -0.67290E-02 -0.57866E-02 5176 0.581E-01 0.569E-01 RMM: 3 -0.365462234802E+03 0.21458E-02 -0.51656E-03 5617 0.142E-01 0.137E-01 RMM: 4 -0.365462160835E+03 0.73967E-04 -0.39025E-04 4374 0.486E-02 0.139E-01 RMM: 5 -0.365462019227E+03 0.14161E-03 -0.16603E-04 3874 0.368E-02 0.624E-02 RMM: 6 -0.365462076677E+03 -0.57450E-04 -0.93977E-05 3757 0.259E-02 0.115E-01 RMM: 7 -0.365462008486E+03 0.68191E-04 -0.41380E-05 3104 0.201E-02 0.638E-02 RMM: 8 -0.365461982352E+03 0.26134E-04 -0.16961E-05 2522 0.125E-02 0.211E-02 RMM: 9 -0.365461982028E+03 0.32363E-06 -0.78522E-06 2436 0.798E-03 6277 T= 6316. E= 0.68610041E+03 F= 0.63384868E+03 E0= 0.66408296E+03 EK= 0.52252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366024495071E+03 -0.56251E+00 -0.15423E-01 7656 0.237E+01 0.172E-01 RMM: 2 -0.366031558778E+03 -0.70637E-02 -0.55734E-02 5322 0.578E-01 0.661E-01 RMM: 3 -0.366028732392E+03 0.28264E-02 -0.45818E-03 5603 0.137E-01 0.137E-01 RMM: 4 -0.366028634617E+03 0.97775E-04 -0.38062E-04 4357 0.480E-02 0.129E-01 RMM: 5 -0.366028524589E+03 0.11003E-03 -0.15618E-04 3868 0.355E-02 0.796E-02 RMM: 6 -0.366028556328E+03 -0.31739E-04 -0.99688E-05 3752 0.269E-02 0.110E-01 RMM: 7 -0.366028504182E+03 0.52146E-04 -0.51840E-05 3293 0.217E-02 0.750E-02 RMM: 8 -0.366028468321E+03 0.35862E-04 -0.18879E-05 2546 0.135E-02 0.224E-02 RMM: 9 -0.366028468110E+03 0.21026E-06 -0.98470E-06 2440 0.859E-03 6278 T= 6579. E= 0.68755181E+03 F= 0.63312778E+03 E0= 0.66337372E+03 EK= 0.54424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366550228483E+03 -0.52176E+00 -0.16131E-01 7740 0.241E+01 0.164E-01 RMM: 2 -0.366557246433E+03 -0.70180E-02 -0.57965E-02 5295 0.586E-01 0.624E-01 RMM: 3 -0.366554747254E+03 0.24992E-02 -0.46803E-03 5627 0.136E-01 0.148E-01 RMM: 4 -0.366554620624E+03 0.12663E-03 -0.36996E-04 4294 0.479E-02 0.122E-01 RMM: 5 -0.366554509186E+03 0.11144E-03 -0.15895E-04 3869 0.361E-02 0.744E-02 RMM: 6 -0.366554559597E+03 -0.50411E-04 -0.11059E-04 3850 0.283E-02 0.118E-01 RMM: 7 -0.366554490656E+03 0.68941E-04 -0.49649E-05 3254 0.213E-02 0.722E-02 RMM: 8 -0.366554457505E+03 0.33151E-04 -0.18237E-05 2532 0.130E-02 0.232E-02 RMM: 9 -0.366554456848E+03 0.65689E-06 -0.97247E-06 2441 0.871E-03 6279 T= 6777. E= 0.68851046E+03 F= 0.63244564E+03 E0= 0.66270808E+03 EK= 0.56065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367009864632E+03 -0.45541E+00 -0.16543E-01 7632 0.243E+01 0.169E-01 RMM: 2 -0.367016649201E+03 -0.67846E-02 -0.56753E-02 5268 0.582E-01 0.607E-01 RMM: 3 -0.367014219197E+03 0.24300E-02 -0.47165E-03 5604 0.137E-01 0.138E-01 RMM: 4 -0.367014137816E+03 0.81381E-04 -0.38625E-04 4415 0.496E-02 0.137E-01 RMM: 5 -0.367014009991E+03 0.12783E-03 -0.16881E-04 3871 0.368E-02 0.783E-02 RMM: 6 -0.367014050221E+03 -0.40230E-04 -0.98731E-05 3756 0.268E-02 0.114E-01 RMM: 7 -0.367013994922E+03 0.55298E-04 -0.50383E-05 3269 0.215E-02 0.764E-02 RMM: 8 -0.367013957116E+03 0.37806E-04 -0.20316E-05 2601 0.140E-02 0.219E-02 RMM: 9 -0.367013957329E+03 -0.21281E-06 -0.99793E-06 2440 0.869E-03 6280 T= 6831. E= 0.68833700E+03 F= 0.63182714E+03 E0= 0.66211077E+03 EK= 0.56510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367393120464E+03 -0.37916E+00 -0.16382E-01 7248 0.242E+01 0.172E-01 RMM: 2 -0.367398953766E+03 -0.58333E-02 -0.52402E-02 5216 0.556E-01 0.533E-01 RMM: 3 -0.367397074925E+03 0.18788E-02 -0.44336E-03 5632 0.132E-01 0.135E-01 RMM: 4 -0.367397068478E+03 0.64467E-05 -0.40444E-04 4474 0.516E-02 0.168E-01 RMM: 5 -0.367396882934E+03 0.18554E-03 -0.18337E-04 3876 0.378E-02 0.791E-02 RMM: 6 -0.367396904315E+03 -0.21381E-04 -0.10536E-04 3815 0.280E-02 0.998E-02 RMM: 7 -0.367396854983E+03 0.49332E-04 -0.39855E-05 3116 0.197E-02 0.603E-02 RMM: 8 -0.367396832274E+03 0.22708E-04 -0.13757E-05 2510 0.115E-02 0.207E-02 RMM: 9 -0.367396832674E+03 -0.39931E-06 -0.68830E-06 2435 0.735E-03 6281 T= 6718. E= 0.68685931E+03 F= 0.63128062E+03 E0= 0.66158931E+03 EK= 0.55579E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367709819726E+03 -0.31299E+00 -0.15910E-01 7200 0.239E+01 0.185E-01 RMM: 2 -0.367715352110E+03 -0.55324E-02 -0.49161E-02 5164 0.536E-01 0.544E-01 RMM: 3 -0.367713394691E+03 0.19574E-02 -0.42598E-03 5525 0.133E-01 0.135E-01 RMM: 4 -0.367713508150E+03 -0.11346E-03 -0.49047E-04 4584 0.560E-02 0.209E-01 RMM: 5 -0.367713238781E+03 0.26937E-03 -0.19803E-04 3876 0.380E-02 0.863E-02 RMM: 6 -0.367713221554E+03 0.17227E-04 -0.69922E-05 3478 0.238E-02 6282 T= 6489. E= 0.68447658E+03 F= 0.63079411E+03 E0= 0.66113104E+03 EK= 0.53682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367983270063E+03 -0.27003E+00 -0.15173E-01 7008 0.234E+01 0.308E-01 RMM: 2 -0.368000391874E+03 -0.17122E-01 -0.50974E-02 5215 0.561E-01 0.147E+00 RMM: 3 -0.367986393268E+03 0.13999E-01 -0.84680E-03 5333 0.222E-01 0.241E-01 RMM: 4 -0.367986235947E+03 0.15732E-03 -0.10863E-03 4631 0.722E-02 0.205E-01 RMM: 5 -0.367986127577E+03 0.10837E-03 -0.30238E-04 4037 0.459E-02 0.181E-01 RMM: 6 -0.367985927794E+03 0.19978E-03 -0.14206E-04 3877 0.337E-02 0.646E-02 RMM: 7 -0.367985976502E+03 -0.48708E-04 -0.84538E-05 3617 0.249E-02 0.112E-01 RMM: 8 -0.367985896534E+03 0.79968E-04 -0.44452E-05 3201 0.213E-02 0.390E-02 RMM: 9 -0.367985889363E+03 0.71714E-05 -0.12347E-05 2491 0.104E-02 6283 T= 6234. E= 0.68191879E+03 F= 0.63034356E+03 E0= 0.66071051E+03 EK= 0.51575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368234028645E+03 -0.24813E+00 -0.14540E-01 6876 0.230E+01 0.274E-01 RMM: 2 -0.368249063055E+03 -0.15034E-01 -0.46246E-02 5098 0.526E-01 0.135E+00 RMM: 3 -0.368236852521E+03 0.12211E-01 -0.73010E-03 5336 0.209E-01 0.253E-01 RMM: 4 -0.368236608534E+03 0.24399E-03 -0.10941E-03 4675 0.760E-02 0.183E-01 RMM: 5 -0.368236535413E+03 0.73121E-04 -0.23821E-04 3949 0.424E-02 0.163E-01 RMM: 6 -0.368236364636E+03 0.17078E-03 -0.88742E-05 3659 0.280E-02 0.417E-02 RMM: 7 -0.368236387072E+03 -0.22436E-04 -0.37934E-05 3021 0.174E-02 0.755E-02 RMM: 8 -0.368236351846E+03 0.35226E-04 -0.23107E-05 2598 0.166E-02 0.202E-02 RMM: 9 -0.368236350043E+03 0.18028E-05 -0.46083E-06 2435 0.642E-03 6284 T= 6042. E= 0.67989204E+03 F= 0.62990719E+03 E0= 0.66030536E+03 EK= 0.49985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368469264799E+03 -0.23291E+00 -0.14495E-01 7668 0.228E+01 0.234E-01 RMM: 2 -0.368477101772E+03 -0.78370E-02 -0.46303E-02 5153 0.519E-01 0.852E-01 RMM: 3 -0.368472346376E+03 0.47554E-02 -0.49137E-03 5362 0.154E-01 0.179E-01 RMM: 4 -0.368472467885E+03 -0.12151E-03 -0.77491E-04 4610 0.660E-02 0.244E-01 RMM: 5 -0.368472141791E+03 0.32609E-03 -0.27107E-04 3925 0.437E-02 0.120E-01 RMM: 6 -0.368472070662E+03 0.71129E-04 -0.87944E-05 3630 0.267E-02 0.629E-02 RMM: 7 -0.368472089424E+03 -0.18762E-04 -0.44351E-05 3125 0.196E-02 6285 T= 5969. E= 0.67885731E+03 F= 0.62947848E+03 E0= 0.65990781E+03 EK= 0.49379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368679557249E+03 -0.20749E+00 -0.14439E-01 7572 0.228E+01 0.206E-01 RMM: 2 -0.368683828762E+03 -0.42715E-02 -0.41866E-02 5267 0.488E-01 0.479E-01 RMM: 3 -0.368682336965E+03 0.14918E-02 -0.36411E-03 5412 0.127E-01 0.151E-01 RMM: 4 -0.368682606055E+03 -0.26909E-03 -0.53504E-04 4600 0.567E-02 0.273E-01 RMM: 5 -0.368682127238E+03 0.47882E-03 -0.25618E-04 3889 0.424E-02 0.746E-02 RMM: 6 -0.368682173691E+03 -0.46452E-04 -0.12616E-04 3853 0.301E-02 0.117E-01 RMM: 7 -0.368682094443E+03 0.79247E-04 -0.50188E-05 3305 0.218E-02 0.523E-02 RMM: 8 -0.368682078667E+03 0.15777E-04 -0.13199E-05 2510 0.110E-02 6286 T= 6032. E= 0.67896970E+03 F= 0.62907032E+03 E0= 0.65953060E+03 EK= 0.49899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368832413284E+03 -0.15032E+00 -0.15038E-01 7968 0.230E+01 0.195E-01 RMM: 2 -0.368840883816E+03 -0.84705E-02 -0.59557E-02 4953 0.562E-01 0.758E-01 RMM: 3 -0.368836953465E+03 0.39304E-02 -0.62226E-03 5431 0.165E-01 0.141E-01 RMM: 4 -0.368837070741E+03 -0.11728E-03 -0.69267E-04 4613 0.621E-02 0.218E-01 RMM: 5 -0.368836773452E+03 0.29729E-03 -0.24454E-04 3898 0.425E-02 0.863E-02 RMM: 6 -0.368836777894E+03 -0.44416E-05 -0.12632E-04 3875 0.306E-02 6287 T= 6210. E= 0.68008396E+03 F= 0.62871438E+03 E0= 0.65920487E+03 EK= 0.51370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368888263036E+03 -0.51490E-01 -0.15802E-01 7992 0.233E+01 0.308E-01 RMM: 2 -0.368911303358E+03 -0.23040E-01 -0.59384E-02 5311 0.596E-01 0.172E+00 RMM: 3 -0.368892057807E+03 0.19246E-01 -0.93996E-03 5339 0.237E-01 0.283E-01 RMM: 4 -0.368891590127E+03 0.46768E-03 -0.12106E-03 4625 0.753E-02 0.144E-01 RMM: 5 -0.368891540894E+03 0.49233E-04 -0.41376E-04 4576 0.564E-02 0.161E-01 RMM: 6 -0.368891425612E+03 0.11528E-03 -0.18826E-04 3880 0.362E-02 0.977E-02 RMM: 7 -0.368891492337E+03 -0.66725E-04 -0.12361E-04 3879 0.307E-02 0.144E-01 RMM: 8 -0.368891360483E+03 0.13185E-03 -0.65396E-05 3441 0.239E-02 0.360E-02 RMM: 9 -0.368891357686E+03 0.27966E-05 -0.11450E-05 2494 0.967E-03 6288 T= 6445. E= 0.68177059E+03 F= 0.62845714E+03 E0= 0.65897377E+03 EK= 0.53313E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368795182627E+03 0.96178E-01 -0.16944E-01 8004 0.237E+01 0.258E-01 RMM: 2 -0.368814979764E+03 -0.19797E-01 -0.78977E-02 4965 0.658E-01 0.143E+00 RMM: 3 -0.368801131326E+03 0.13848E-01 -0.98709E-03 5373 0.227E-01 0.215E-01 RMM: 4 -0.368800908490E+03 0.22284E-03 -0.11605E-03 4655 0.727E-02 0.154E-01 RMM: 5 -0.368800832660E+03 0.75830E-04 -0.29175E-04 4109 0.466E-02 0.139E-01 RMM: 6 -0.368800725751E+03 0.10691E-03 -0.11564E-04 3865 0.293E-02 0.632E-02 RMM: 7 -0.368800774438E+03 -0.48687E-04 -0.68691E-05 3472 0.232E-02 0.110E-01 RMM: 8 -0.368800694829E+03 0.79609E-04 -0.33737E-05 3020 0.187E-02 0.245E-02 RMM: 9 -0.368800692693E+03 0.21361E-05 -0.73014E-06 2451 0.736E-03 6289 T= 6654. E= 0.68338760E+03 F= 0.62834432E+03 E0= 0.65888435E+03 EK= 0.55043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368531988323E+03 0.26871E+00 -0.16734E-01 7800 0.239E+01 0.226E-01 RMM: 2 -0.368541919954E+03 -0.99316E-02 -0.62283E-02 5345 0.579E-01 0.920E-01 RMM: 3 -0.368536413814E+03 0.55061E-02 -0.59483E-03 5490 0.166E-01 0.188E-01 RMM: 4 -0.368536313842E+03 0.99971E-04 -0.71674E-04 4620 0.613E-02 0.182E-01 RMM: 5 -0.368536104637E+03 0.20921E-03 -0.32927E-04 4305 0.507E-02 0.106E-01 RMM: 6 -0.368536128244E+03 -0.23607E-04 -0.13397E-04 3880 0.302E-02 0.127E-01 RMM: 7 -0.368536073045E+03 0.55199E-04 -0.74072E-05 3622 0.252E-02 0.935E-02 RMM: 8 -0.368536016979E+03 0.56066E-04 -0.28067E-05 2906 0.163E-02 0.271E-02 RMM: 9 -0.368536017826E+03 -0.84744E-06 -0.14056E-05 2466 0.104E-02 6290 T= 6756. E= 0.68429026E+03 F= 0.62840404E+03 E0= 0.65896217E+03 EK= 0.55886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368091993314E+03 0.44402E+00 -0.17156E-01 7872 0.238E+01 0.204E-01 RMM: 2 -0.368099574376E+03 -0.75811E-02 -0.62758E-02 5276 0.568E-01 0.662E-01 RMM: 3 -0.368096562527E+03 0.30118E-02 -0.53539E-03 5786 0.145E-01 0.153E-01 RMM: 4 -0.368096611219E+03 -0.48692E-04 -0.59418E-04 4607 0.595E-02 0.219E-01 RMM: 5 -0.368096299319E+03 0.31190E-03 -0.26272E-04 3922 0.443E-02 0.836E-02 RMM: 6 -0.368096337404E+03 -0.38085E-04 -0.12465E-04 3869 0.303E-02 0.116E-01 RMM: 7 -0.368096290110E+03 0.47294E-04 -0.48943E-05 3271 0.209E-02 0.857E-02 RMM: 8 -0.368096243290E+03 0.46820E-04 -0.22995E-05 2708 0.148E-02 0.225E-02 RMM: 9 -0.368096244409E+03 -0.11186E-05 -0.86884E-06 2447 0.820E-03 6291 T= 6709. E= 0.68413733E+03 F= 0.62863585E+03 E0= 0.65920587E+03 EK= 0.55501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367510775498E+03 0.58547E+00 -0.16811E-01 7764 0.236E+01 0.219E-01 RMM: 2 -0.367517548572E+03 -0.67731E-02 -0.61599E-02 5386 0.550E-01 0.593E-01 RMM: 3 -0.367514912649E+03 0.26359E-02 -0.45668E-03 5835 0.137E-01 0.155E-01 RMM: 4 -0.367515171432E+03 -0.25878E-03 -0.68428E-04 4615 0.652E-02 0.280E-01 RMM: 5 -0.367514684233E+03 0.48720E-03 -0.30407E-04 3953 0.464E-02 0.968E-02 RMM: 6 -0.367514674598E+03 0.96348E-05 -0.11016E-04 3839 0.285E-02 6292 T= 6537. E= 0.68308011E+03 F= 0.62900460E+03 E0= 0.65958019E+03 EK= 0.54076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366847420204E+03 0.66726E+00 -0.16453E-01 7884 0.231E+01 0.386E-01 RMM: 2 -0.366877859783E+03 -0.30440E-01 -0.69923E-02 5266 0.623E-01 0.201E+00 RMM: 3 -0.366851371150E+03 0.26489E-01 -0.12495E-02 5337 0.274E-01 0.320E-01 RMM: 4 -0.366850984096E+03 0.38705E-03 -0.17785E-03 4712 0.915E-02 0.239E-01 RMM: 5 -0.366850974108E+03 0.99886E-05 -0.48948E-04 4526 0.555E-02 0.255E-01 RMM: 6 -0.366850570676E+03 0.40343E-03 -0.24949E-04 3897 0.421E-02 0.794E-02 RMM: 7 -0.366850615773E+03 -0.45097E-04 -0.11777E-04 3854 0.291E-02 0.119E-01 RMM: 8 -0.366850528878E+03 0.86896E-04 -0.51729E-05 3317 0.218E-02 0.474E-02 RMM: 9 -0.366850517012E+03 0.11865E-04 -0.14583E-05 2524 0.114E-02 6293 T= 6312. E= 0.68166308E+03 F= 0.62944974E+03 E0= 0.66002471E+03 EK= 0.52213E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366167901071E+03 0.68263E+00 -0.16091E-01 7620 0.227E+01 0.335E-01 RMM: 2 -0.366193700629E+03 -0.25800E-01 -0.64975E-02 5256 0.577E-01 0.181E+00 RMM: 3 -0.366171748232E+03 0.21952E-01 -0.10321E-02 5347 0.248E-01 0.307E-01 RMM: 4 -0.366171401545E+03 0.34669E-03 -0.16850E-03 4711 0.922E-02 0.227E-01 RMM: 5 -0.366171392192E+03 0.93526E-05 -0.37777E-04 4316 0.515E-02 0.233E-01 RMM: 6 -0.366171033780E+03 0.35841E-03 -0.15927E-04 3880 0.349E-02 0.417E-02 RMM: 7 -0.366171057953E+03 -0.24173E-04 -0.45483E-05 3193 0.185E-02 0.792E-02 RMM: 8 -0.366171021202E+03 0.36751E-04 -0.25167E-05 2623 0.166E-02 0.288E-02 RMM: 9 -0.366171016777E+03 0.44253E-05 -0.62999E-06 2447 0.751E-03 6294 T= 6120. E= 0.68053164E+03 F= 0.62990368E+03 E0= 0.66047353E+03 EK= 0.50628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365530085420E+03 0.64094E+00 -0.15700E-01 8040 0.224E+01 0.279E-01 RMM: 2 -0.365540999151E+03 -0.10914E-01 -0.64284E-02 5157 0.574E-01 0.100E+00 RMM: 3 -0.365534271623E+03 0.67275E-02 -0.66386E-03 5441 0.179E-01 0.214E-01 RMM: 4 -0.365534543420E+03 -0.27180E-03 -0.11947E-03 4627 0.815E-02 0.309E-01 RMM: 5 -0.365534002856E+03 0.54056E-03 -0.37636E-04 4122 0.502E-02 0.143E-01 RMM: 6 -0.365533889548E+03 0.11331E-03 -0.11310E-04 3854 0.291E-02 0.657E-02 RMM: 7 -0.365533925118E+03 -0.35569E-04 -0.69376E-05 3470 0.228E-02 0.105E-01 RMM: 8 -0.365533854792E+03 0.70326E-04 -0.37499E-05 3113 0.195E-02 0.285E-02 RMM: 9 -0.365533852731E+03 0.20607E-05 -0.93025E-06 2461 0.868E-03 6295 T= 6028. E= 0.68017717E+03 F= 0.63030976E+03 E0= 0.66087085E+03 EK= 0.49867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364973026700E+03 0.56083E+00 -0.15188E-01 8256 0.224E+01 0.255E-01 RMM: 2 -0.364982378143E+03 -0.93514E-02 -0.57451E-02 5157 0.551E-01 0.914E-01 RMM: 3 -0.364976697489E+03 0.56807E-02 -0.58503E-03 5497 0.167E-01 0.172E-01 RMM: 4 -0.364977067339E+03 -0.36985E-03 -0.97733E-04 4614 0.739E-02 0.310E-01 RMM: 5 -0.364976530365E+03 0.53697E-03 -0.34888E-04 4114 0.498E-02 0.131E-01 RMM: 6 -0.364976432521E+03 0.97844E-04 -0.11151E-04 3794 0.292E-02 0.566E-02 RMM: 7 -0.364976466697E+03 -0.34176E-04 -0.44588E-05 3157 0.192E-02 0.966E-02 RMM: 8 -0.364976406439E+03 0.60258E-04 -0.25639E-05 2786 0.170E-02 0.244E-02 RMM: 9 -0.364976404597E+03 0.18419E-05 -0.71067E-06 2448 0.770E-03 6296 T= 6067. E= 0.68081899E+03 F= 0.63063260E+03 E0= 0.66118269E+03 EK= 0.50186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364506308722E+03 0.47010E+00 -0.15068E-01 7992 0.226E+01 0.225E-01 RMM: 2 -0.364514262622E+03 -0.79539E-02 -0.57597E-02 5143 0.543E-01 0.756E-01 RMM: 3 -0.364510308511E+03 0.39541E-02 -0.53418E-03 5514 0.153E-01 0.164E-01 RMM: 4 -0.364510566720E+03 -0.25821E-03 -0.87388E-04 4620 0.722E-02 0.276E-01 RMM: 5 -0.364510131790E+03 0.43493E-03 -0.35884E-04 4194 0.511E-02 0.122E-01 RMM: 6 -0.364510064626E+03 0.67164E-04 -0.10538E-04 3806 0.276E-02 0.737E-02 RMM: 7 -0.364510060662E+03 0.39638E-05 -0.53637E-05 3351 0.224E-02 6297 T= 6227. E= 0.68237683E+03 F= 0.63086315E+03 E0= 0.66140061E+03 EK= 0.51514E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364117351049E+03 0.39271E+00 -0.15176E-01 8004 0.231E+01 0.238E-01 RMM: 2 -0.364125264446E+03 -0.79134E-02 -0.55290E-02 5200 0.542E-01 0.787E-01 RMM: 3 -0.364121108380E+03 0.41561E-02 -0.51770E-03 5524 0.151E-01 0.184E-01 RMM: 4 -0.364121263844E+03 -0.15546E-03 -0.89065E-04 4607 0.734E-02 0.266E-01 RMM: 5 -0.364120889549E+03 0.37430E-03 -0.47579E-04 4570 0.597E-02 0.137E-01 RMM: 6 -0.364120820038E+03 0.69511E-04 -0.14664E-04 3872 0.314E-02 0.977E-02 RMM: 7 -0.364120810487E+03 0.95507E-05 -0.94653E-05 3767 0.294E-02 6298 T= 6461. E= 0.68446648E+03 F= 0.63101721E+03 E0= 0.66154252E+03 EK= 0.53449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363769017819E+03 0.35180E+00 -0.16063E-01 8124 0.236E+01 0.217E-01 RMM: 2 -0.363776620929E+03 -0.76031E-02 -0.59019E-02 5134 0.578E-01 0.713E-01 RMM: 3 -0.363773308798E+03 0.33121E-02 -0.59251E-03 5587 0.159E-01 0.179E-01 RMM: 4 -0.363773262994E+03 0.45804E-04 -0.64519E-04 4610 0.615E-02 0.197E-01 RMM: 5 -0.363773099061E+03 0.16393E-03 -0.45752E-04 4554 0.601E-02 0.147E-01 RMM: 6 -0.363773012808E+03 0.86253E-04 -0.19881E-04 3884 0.368E-02 0.964E-02 RMM: 7 -0.363773012135E+03 0.67327E-06 -0.91060E-05 3791 0.300E-02 6299 T= 6687. E= 0.68644780E+03 F= 0.63113098E+03 E0= 0.66164222E+03 EK= 0.55317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363412949961E+03 0.36006E+00 -0.16547E-01 8076 0.240E+01 0.217E-01 RMM: 2 -0.363420102920E+03 -0.71530E-02 -0.51262E-02 5265 0.545E-01 0.746E-01 RMM: 3 -0.363416483476E+03 0.36194E-02 -0.47347E-03 5477 0.147E-01 0.180E-01 RMM: 4 -0.363416451009E+03 0.32467E-04 -0.62987E-04 4604 0.603E-02 0.199E-01 RMM: 5 -0.363416274924E+03 0.17608E-03 -0.49155E-04 4598 0.630E-02 0.138E-01 RMM: 6 -0.363416209311E+03 0.65612E-04 -0.18874E-04 3882 0.357E-02 0.997E-02 RMM: 7 -0.363416202197E+03 0.71145E-05 -0.89551E-05 3756 0.296E-02 6300 T= 6813. E= 0.68761833E+03 F= 0.63125401E+03 E0= 0.66175138E+03 EK= 0.56364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362999278499E+03 0.41693E+00 -0.17167E-01 8064 0.242E+01 0.231E-01 RMM: 2 -0.363006660276E+03 -0.73818E-02 -0.51785E-02 5210 0.551E-01 0.775E-01 RMM: 3 -0.363002793604E+03 0.38667E-02 -0.52447E-03 5443 0.157E-01 0.181E-01 RMM: 4 -0.363002845493E+03 -0.51889E-04 -0.72203E-04 4607 0.650E-02 0.224E-01 RMM: 5 -0.363002632709E+03 0.21278E-03 -0.44524E-04 4549 0.583E-02 0.160E-01 RMM: 6 -0.363002503928E+03 0.12878E-03 -0.20742E-04 3890 0.377E-02 0.842E-02 RMM: 7 -0.363002514953E+03 -0.11025E-04 -0.85907E-05 3770 0.289E-02 6301 T= 6783. E= 0.68754615E+03 F= 0.63143210E+03 E0= 0.66191272E+03 EK= 0.56114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362496208570E+03 0.50630E+00 -0.17294E-01 7824 0.241E+01 0.242E-01 RMM: 2 -0.362503025945E+03 -0.68174E-02 -0.49333E-02 5200 0.542E-01 0.758E-01 RMM: 3 -0.362499356560E+03 0.36694E-02 -0.48999E-03 5396 0.154E-01 0.195E-01 RMM: 4 -0.362499451426E+03 -0.94866E-04 -0.78901E-04 4618 0.680E-02 0.250E-01 RMM: 5 -0.362499151019E+03 0.30041E-03 -0.45611E-04 4553 0.589E-02 0.150E-01 RMM: 6 -0.362499036262E+03 0.11476E-03 -0.17040E-04 3887 0.342E-02 0.785E-02 RMM: 7 -0.362499056599E+03 -0.20337E-04 -0.74377E-05 3634 0.262E-02 0.103E-01 RMM: 8 -0.362498989145E+03 0.67454E-04 -0.27949E-05 2929 0.168E-02 0.305E-02 RMM: 9 -0.362498986945E+03 0.22000E-05 -0.88260E-06 2460 0.839E-03 6302 T= 6604. E= 0.68633131E+03 F= 0.63169571E+03 E0= 0.66215751E+03 EK= 0.54636E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361887888095E+03 0.61110E+00 -0.16766E-01 7776 0.238E+01 0.219E-01 RMM: 2 -0.361893470075E+03 -0.55820E-02 -0.43222E-02 5176 0.492E-01 0.654E-01 RMM: 3 -0.361890657549E+03 0.28125E-02 -0.41111E-03 5359 0.140E-01 0.150E-01 RMM: 4 -0.361891115944E+03 -0.45839E-03 -0.74477E-04 4609 0.673E-02 0.313E-01 RMM: 5 -0.361890500920E+03 0.61502E-03 -0.30353E-04 3972 0.466E-02 0.844E-02 RMM: 6 -0.361890483845E+03 0.17075E-04 -0.84831E-05 3602 0.256E-02 6303 T= 6346. E= 0.68455999E+03 F= 0.63205801E+03 E0= 0.66249867E+03 EK= 0.52502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361173158291E+03 0.71734E+00 -0.15983E-01 7632 0.234E+01 0.339E-01 RMM: 2 -0.361188850653E+03 -0.15692E-01 -0.46861E-02 5266 0.533E-01 0.143E+00 RMM: 3 -0.361175460655E+03 0.13390E-01 -0.76934E-03 5328 0.213E-01 0.268E-01 RMM: 4 -0.361175516264E+03 -0.55609E-04 -0.15329E-03 4665 0.916E-02 0.296E-01 RMM: 5 -0.361175228587E+03 0.28768E-03 -0.53043E-04 4580 0.597E-02 0.237E-01 RMM: 6 -0.361174889993E+03 0.33859E-03 -0.23182E-04 3885 0.404E-02 0.767E-02 RMM: 7 -0.361174958297E+03 -0.68303E-04 -0.11202E-04 3804 0.291E-02 0.133E-01 RMM: 8 -0.361174844731E+03 0.11357E-03 -0.55303E-05 3396 0.229E-02 0.395E-02 RMM: 9 -0.361174838787E+03 0.59433E-05 -0.14163E-05 2505 0.110E-02 6304 T= 6101. E= 0.68299513E+03 F= 0.63252050E+03 E0= 0.66293538E+03 EK= 0.50475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360351622715E+03 0.82322E+00 -0.15395E-01 7260 0.231E+01 0.315E-01 RMM: 2 -0.360367293557E+03 -0.15671E-01 -0.42579E-02 5236 0.508E-01 0.145E+00 RMM: 3 -0.360353662605E+03 0.13631E-01 -0.70509E-03 5335 0.207E-01 0.270E-01 RMM: 4 -0.360353560242E+03 0.10236E-03 -0.14377E-03 4646 0.885E-02 0.256E-01 RMM: 5 -0.360353417530E+03 0.14271E-03 -0.36851E-04 4169 0.510E-02 0.220E-01 RMM: 6 -0.360353103298E+03 0.31423E-03 -0.14847E-04 3871 0.342E-02 0.436E-02 RMM: 7 -0.360353131611E+03 -0.28313E-04 -0.54094E-05 3294 0.206E-02 0.829E-02 RMM: 8 -0.360353087314E+03 0.44298E-04 -0.23662E-05 2766 0.167E-02 0.253E-02 RMM: 9 -0.360353084161E+03 0.31529E-05 -0.57183E-06 2444 0.694E-03 6305 T= 5946. E= 0.68226948E+03 F= 0.63308317E+03 E0= 0.66347051E+03 EK= 0.49186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359416192437E+03 0.93689E+00 -0.15219E-01 7848 0.230E+01 0.275E-01 RMM: 2 -0.359424072803E+03 -0.78804E-02 -0.41951E-02 5210 0.497E-01 0.928E-01 RMM: 3 -0.359418492748E+03 0.55801E-02 -0.48182E-03 5336 0.157E-01 0.211E-01 RMM: 4 -0.359418833139E+03 -0.34039E-03 -0.11573E-03 4612 0.827E-02 0.320E-01 RMM: 5 -0.359418243444E+03 0.58970E-03 -0.44979E-04 4340 0.561E-02 0.146E-01 RMM: 6 -0.359418130046E+03 0.11340E-03 -0.12351E-04 3850 0.296E-02 0.699E-02 RMM: 7 -0.359418152112E+03 -0.22066E-04 -0.59498E-05 3426 0.226E-02 0.984E-02 RMM: 8 -0.359418089180E+03 0.62931E-04 -0.27735E-05 2926 0.170E-02 0.227E-02 RMM: 9 -0.359418092021E+03 -0.28406E-05 -0.93073E-06 2462 0.852E-03 6306 T= 5922. E= 0.68274423E+03 F= 0.63375576E+03 E0= 0.66411304E+03 EK= 0.48988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358348601228E+03 0.10695E+01 -0.15375E-01 8124 0.231E+01 0.250E-01 RMM: 2 -0.358355617070E+03 -0.70158E-02 -0.43529E-02 5126 0.507E-01 0.837E-01 RMM: 3 -0.358351225272E+03 0.43918E-02 -0.48019E-03 5348 0.152E-01 0.176E-01 RMM: 4 -0.358351549055E+03 -0.32378E-03 -0.97371E-04 4607 0.759E-02 0.298E-01 RMM: 5 -0.358351038672E+03 0.51038E-03 -0.39753E-04 4269 0.532E-02 0.128E-01 RMM: 6 -0.358350958124E+03 0.80547E-04 -0.12892E-04 3850 0.305E-02 0.703E-02 RMM: 7 -0.358350974226E+03 -0.16102E-04 -0.46559E-05 3247 0.206E-02 6307 T= 6035. E= 0.68448400E+03 F= 0.63456053E+03 E0= 0.66488528E+03 EK= 0.49923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357118644230E+03 0.12323E+01 -0.15738E-01 8148 0.235E+01 0.253E-01 RMM: 2 -0.357124928505E+03 -0.62843E-02 -0.51311E-02 5130 0.544E-01 0.675E-01 RMM: 3 -0.357122072994E+03 0.28555E-02 -0.52791E-03 5429 0.150E-01 0.202E-01 RMM: 4 -0.357122361458E+03 -0.28846E-03 -0.93641E-04 4612 0.762E-02 0.310E-01 RMM: 5 -0.357121722564E+03 0.63889E-03 -0.49763E-04 4538 0.599E-02 0.916E-02 RMM: 6 -0.357121784275E+03 -0.61710E-04 -0.18079E-04 3879 0.345E-02 0.139E-01 RMM: 7 -0.357121694394E+03 0.89881E-04 -0.76995E-05 3609 0.271E-02 0.841E-02 RMM: 8 -0.357121650692E+03 0.43702E-04 -0.23264E-05 2755 0.146E-02 0.263E-02 RMM: 9 -0.357121656299E+03 -0.56073E-05 -0.13212E-05 2482 0.102E-02 6308 T= 6253. E= 0.68725728E+03 F= 0.63553069E+03 E0= 0.66582168E+03 EK= 0.51727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355696410346E+03 0.14252E+01 -0.16191E-01 8160 0.239E+01 0.198E-01 RMM: 2 -0.355702735151E+03 -0.63248E-02 -0.53510E-02 5106 0.550E-01 0.604E-01 RMM: 3 -0.355700394322E+03 0.23408E-02 -0.53442E-03 5505 0.145E-01 0.148E-01 RMM: 4 -0.355700511734E+03 -0.11741E-03 -0.64598E-04 4605 0.635E-02 0.231E-01 RMM: 5 -0.355700192838E+03 0.31890E-03 -0.30324E-04 4085 0.482E-02 0.103E-01 RMM: 6 -0.355700177917E+03 0.14921E-04 -0.14248E-04 3861 0.322E-02 6309 T= 6508. E= 0.69053934E+03 F= 0.63669817E+03 E0= 0.66695431E+03 EK= 0.53841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354069800888E+03 0.16304E+01 -0.16576E-01 7992 0.243E+01 0.330E-01 RMM: 2 -0.354090833455E+03 -0.21033E-01 -0.68477E-02 5124 0.639E-01 0.159E+00 RMM: 3 -0.354074134481E+03 0.16699E-01 -0.10162E-02 5340 0.239E-01 0.253E-01 RMM: 4 -0.354073995020E+03 0.13946E-03 -0.13893E-03 4690 0.823E-02 0.232E-01 RMM: 5 -0.354073766379E+03 0.22864E-03 -0.64502E-04 4608 0.699E-02 0.183E-01 RMM: 6 -0.354073620287E+03 0.14609E-03 -0.23289E-04 3880 0.395E-02 0.112E-01 RMM: 7 -0.354073657822E+03 -0.37534E-04 -0.14193E-04 3871 0.341E-02 0.141E-01 RMM: 8 -0.354073529659E+03 0.12816E-03 -0.69149E-05 3495 0.248E-02 0.344E-02 RMM: 9 -0.354073530921E+03 -0.12618E-05 -0.13907E-05 2513 0.108E-02 6310 T= 6712. E= 0.69360169E+03 F= 0.63807622E+03 E0= 0.66829547E+03 EK= 0.55525E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352261359812E+03 0.18122E+01 -0.16758E-01 7800 0.244E+01 0.302E-01 RMM: 2 -0.352284310362E+03 -0.22951E-01 -0.60719E-02 5078 0.596E-01 0.170E+00 RMM: 3 -0.352265279969E+03 0.19030E-01 -0.96440E-03 5335 0.236E-01 0.222E-01 RMM: 4 -0.352265176210E+03 0.10376E-03 -0.12959E-03 4645 0.789E-02 0.211E-01 RMM: 5 -0.352265073461E+03 0.10275E-03 -0.35573E-04 4367 0.512E-02 0.188E-01 RMM: 6 -0.352264850877E+03 0.22258E-03 -0.16001E-04 3876 0.342E-02 0.556E-02 RMM: 7 -0.352264901359E+03 -0.50482E-04 -0.80693E-05 3551 0.244E-02 0.108E-01 RMM: 8 -0.352264825605E+03 0.75754E-04 -0.39024E-05 3136 0.201E-02 0.239E-02 RMM: 9 -0.352264823496E+03 0.21083E-05 -0.64738E-06 2455 0.719E-03 6311 T= 6785. E= 0.69576985E+03 F= 0.63964043E+03 E0= 0.66982376E+03 EK= 0.56129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350338559106E+03 0.19263E+01 -0.17230E-01 7728 0.243E+01 0.279E-01 RMM: 2 -0.350351232992E+03 -0.12674E-01 -0.78972E-02 4986 0.667E-01 0.102E+00 RMM: 3 -0.350344309157E+03 0.69238E-02 -0.89906E-03 5424 0.202E-01 0.224E-01 RMM: 4 -0.350344392961E+03 -0.83804E-04 -0.12397E-03 4722 0.837E-02 0.270E-01 RMM: 5 -0.350343985679E+03 0.40728E-03 -0.42671E-04 4442 0.543E-02 0.149E-01 RMM: 6 -0.350343876455E+03 0.10922E-03 -0.14507E-04 3875 0.316E-02 0.845E-02 RMM: 7 -0.350343909218E+03 -0.32763E-04 -0.89897E-05 3651 0.263E-02 0.115E-01 RMM: 8 -0.350343824505E+03 0.84712E-04 -0.42609E-05 3179 0.204E-02 0.301E-02 RMM: 9 -0.350343821871E+03 0.26341E-05 -0.10553E-05 2466 0.929E-03 6312 T= 6701. E= 0.69675576E+03 F= 0.64131884E+03 E0= 0.67146778E+03 EK= 0.55437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348414966212E+03 0.19289E+01 -0.16392E-01 7788 0.239E+01 0.261E-01 RMM: 2 -0.348423136448E+03 -0.81702E-02 -0.61311E-02 5090 0.590E-01 0.777E-01 RMM: 3 -0.348419172795E+03 0.39637E-02 -0.61761E-03 5459 0.167E-01 0.195E-01 RMM: 4 -0.348419560486E+03 -0.38769E-03 -0.10914E-03 4656 0.807E-02 0.327E-01 RMM: 5 -0.348418901534E+03 0.65895E-03 -0.41302E-04 4271 0.532E-02 0.116E-01 RMM: 6 -0.348418842107E+03 0.59426E-04 -0.10570E-04 3781 0.276E-02 0.726E-02 RMM: 7 -0.348418866702E+03 -0.24594E-04 -0.53057E-05 3288 0.204E-02 0.992E-02 RMM: 8 -0.348418800826E+03 0.65876E-04 -0.31118E-05 2929 0.181E-02 0.230E-02 RMM: 9 -0.348418801007E+03 -0.18117E-06 -0.89287E-06 2459 0.839E-03 6313 T= 6504. E= 0.69680412E+03 F= 0.64300102E+03 E0= 0.67311818E+03 EK= 0.53803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346610534208E+03 0.18083E+01 -0.16480E-01 7764 0.235E+01 0.280E-01 RMM: 2 -0.346620635740E+03 -0.10102E-01 -0.83043E-02 4921 0.682E-01 0.773E-01 RMM: 3 -0.346616604613E+03 0.40311E-02 -0.88471E-03 5497 0.194E-01 0.217E-01 RMM: 4 -0.346617035749E+03 -0.43114E-03 -0.13073E-03 4820 0.887E-02 0.349E-01 RMM: 5 -0.346616262584E+03 0.77317E-03 -0.46274E-04 4357 0.554E-02 0.125E-01 RMM: 6 -0.346616179773E+03 0.82811E-04 -0.10939E-04 3808 0.277E-02 0.654E-02 RMM: 7 -0.346616213972E+03 -0.34200E-04 -0.61174E-05 3415 0.213E-02 0.103E-01 RMM: 8 -0.346616145573E+03 0.68399E-04 -0.33590E-05 2993 0.186E-02 0.282E-02 RMM: 9 -0.346616143859E+03 0.17142E-05 -0.10745E-05 2465 0.933E-03 6314 T= 6281. E= 0.69651672E+03 F= 0.64455928E+03 E0= 0.67464750E+03 EK= 0.51957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345051669301E+03 0.15645E+01 -0.15501E-01 7848 0.230E+01 0.291E-01 RMM: 2 -0.345062092731E+03 -0.10423E-01 -0.69823E-02 5138 0.632E-01 0.941E-01 RMM: 3 -0.345056327295E+03 0.57654E-02 -0.71596E-03 5432 0.183E-01 0.203E-01 RMM: 4 -0.345056885830E+03 -0.55853E-03 -0.13253E-03 4699 0.888E-02 0.365E-01 RMM: 5 -0.345056049165E+03 0.83666E-03 -0.45142E-04 4310 0.545E-02 0.122E-01 RMM: 6 -0.345055971492E+03 0.77674E-04 -0.10152E-04 3733 0.266E-02 0.664E-02 RMM: 7 -0.345055999142E+03 -0.27650E-04 -0.60156E-05 3379 0.211E-02 0.998E-02 RMM: 8 -0.345055935395E+03 0.63746E-04 -0.36139E-05 3051 0.190E-02 0.258E-02 RMM: 9 -0.345055935775E+03 -0.38003E-06 -0.10204E-05 2464 0.908E-03 6315 T= 6122. E= 0.69652172E+03 F= 0.64587358E+03 E0= 0.67593638E+03 EK= 0.50648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343826200227E+03 0.12297E+01 -0.15239E-01 7836 0.228E+01 0.277E-01 RMM: 2 -0.343835556089E+03 -0.93559E-02 -0.68803E-02 5186 0.625E-01 0.835E-01 RMM: 3 -0.343830913576E+03 0.46425E-02 -0.66246E-03 5430 0.174E-01 0.210E-01 RMM: 4 -0.343831342075E+03 -0.42850E-03 -0.12385E-03 4669 0.864E-02 0.337E-01 RMM: 5 -0.343830646033E+03 0.69604E-03 -0.41233E-04 4098 0.518E-02 0.137E-01 RMM: 6 -0.343830539731E+03 0.10630E-03 -0.11135E-04 3802 0.287E-02 0.621E-02 RMM: 7 -0.343830580389E+03 -0.40659E-04 -0.66755E-05 3482 0.222E-02 0.106E-01 RMM: 8 -0.343830507480E+03 0.72909E-04 -0.35042E-05 3040 0.190E-02 0.257E-02 RMM: 9 -0.343830506315E+03 0.11656E-05 -0.10395E-05 2466 0.915E-03 6316 T= 6090. E= 0.69723200E+03 F= 0.64685289E+03 E0= 0.67689292E+03 EK= 0.50379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342993602596E+03 0.83690E+00 -0.15242E-01 7788 0.229E+01 0.259E-01 RMM: 2 -0.343002723421E+03 -0.91208E-02 -0.75660E-02 5185 0.650E-01 0.744E-01 RMM: 3 -0.342999071084E+03 0.36523E-02 -0.71559E-03 5566 0.170E-01 0.181E-01 RMM: 4 -0.342999450048E+03 -0.37896E-03 -0.10176E-03 4655 0.786E-02 0.322E-01 RMM: 5 -0.342998761931E+03 0.68812E-03 -0.37748E-04 4039 0.502E-02 0.932E-02 RMM: 6 -0.342998754316E+03 0.76145E-05 -0.10457E-04 3737 0.274E-02 6317 T= 6201. E= 0.69874244E+03 F= 0.64744020E+03 E0= 0.67745976E+03 EK= 0.51302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342580323053E+03 0.41844E+00 -0.15548E-01 7896 0.232E+01 0.362E-01 RMM: 2 -0.342604583983E+03 -0.24261E-01 -0.76651E-02 5297 0.677E-01 0.173E+00 RMM: 3 -0.342585307594E+03 0.19276E-01 -0.11610E-02 5342 0.261E-01 0.313E-01 RMM: 4 -0.342584912216E+03 0.39538E-03 -0.15328E-03 4666 0.841E-02 0.219E-01 RMM: 5 -0.342584771762E+03 0.14045E-03 -0.47451E-04 4554 0.565E-02 0.198E-01 RMM: 6 -0.342584552263E+03 0.21950E-03 -0.22916E-04 3890 0.406E-02 0.948E-02 RMM: 7 -0.342584609790E+03 -0.57528E-04 -0.13922E-04 3881 0.318E-02 0.136E-01 RMM: 8 -0.342584492707E+03 0.11708E-03 -0.66050E-05 3459 0.245E-02 0.493E-02 RMM: 9 -0.342584479667E+03 0.13040E-04 -0.15015E-05 2528 0.115E-02 6318 T= 6429. E= 0.70079533E+03 F= 0.64761335E+03 E0= 0.67761236E+03 EK= 0.53182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342568124347E+03 0.16368E-01 -0.16945E-01 7620 0.237E+01 0.374E-01 RMM: 2 -0.342599281176E+03 -0.31157E-01 -0.10188E-01 5189 0.775E-01 0.193E+00 RMM: 3 -0.342575411122E+03 0.23870E-01 -0.14593E-02 5344 0.292E-01 0.406E-01 RMM: 4 -0.342574356270E+03 0.10549E-02 -0.20105E-03 4846 0.979E-02 0.146E-01 RMM: 5 -0.342574455871E+03 -0.99601E-04 -0.44289E-04 4511 0.555E-02 0.214E-01 RMM: 6 -0.342574157054E+03 0.29882E-03 -0.17239E-04 3876 0.352E-02 0.569E-02 RMM: 7 -0.342574219501E+03 -0.62447E-04 -0.10480E-04 3772 0.269E-02 0.116E-01 RMM: 8 -0.342574131568E+03 0.87933E-04 -0.49933E-05 3279 0.220E-02 0.284E-02 RMM: 9 -0.342574127098E+03 0.44694E-05 -0.72454E-06 2461 0.766E-03 6319 T= 6697. E= 0.70278623E+03 F= 0.64738633E+03 E0= 0.67736400E+03 EK= 0.55400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342915042919E+03 -0.34091E+00 -0.17231E-01 7656 0.241E+01 0.279E-01 RMM: 2 -0.342931739428E+03 -0.16697E-01 -0.89829E-02 5256 0.726E-01 0.122E+00 RMM: 3 -0.342921934507E+03 0.98049E-02 -0.91760E-03 5397 0.210E-01 0.240E-01 RMM: 4 -0.342921763286E+03 0.17122E-03 -0.11563E-03 4629 0.775E-02 0.207E-01 RMM: 5 -0.342921529498E+03 0.23379E-03 -0.41259E-04 4495 0.549E-02 0.142E-01 RMM: 6 -0.342921469224E+03 0.60275E-04 -0.17468E-04 3876 0.347E-02 0.113E-01 RMM: 7 -0.342921493659E+03 -0.24435E-04 -0.12334E-04 3868 0.305E-02 0.132E-01 RMM: 8 -0.342921379236E+03 0.11442E-03 -0.61523E-05 3403 0.233E-02 0.378E-02 RMM: 9 -0.342921373409E+03 0.58276E-05 -0.11735E-05 2493 0.974E-03 6320 T= 6901. E= 0.70389401E+03 F= 0.64680432E+03 E0= 0.67675812E+03 EK= 0.57090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343546760218E+03 -0.62538E+00 -0.17857E-01 7836 0.244E+01 0.293E-01 RMM: 2 -0.343563843452E+03 -0.17083E-01 -0.95914E-02 5254 0.764E-01 0.125E+00 RMM: 3 -0.343553736198E+03 0.10107E-01 -0.99756E-03 5414 0.224E-01 0.222E-01 RMM: 4 -0.343553587285E+03 0.14891E-03 -0.11300E-03 4639 0.749E-02 0.199E-01 RMM: 5 -0.343553370759E+03 0.21653E-03 -0.38628E-04 4495 0.538E-02 0.136E-01 RMM: 6 -0.343553312981E+03 0.57778E-04 -0.17735E-04 3876 0.347E-02 0.103E-01 RMM: 7 -0.343553350218E+03 -0.37236E-04 -0.85221E-05 3655 0.260E-02 0.131E-01 RMM: 8 -0.343553236265E+03 0.11395E-03 -0.47881E-05 3260 0.209E-02 0.307E-02 RMM: 9 -0.343553233317E+03 0.29486E-05 -0.10503E-05 2476 0.916E-03 6321 T= 6949. E= 0.70342697E+03 F= 0.64593768E+03 E0= 0.67586418E+03 EK= 0.57489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344380413167E+03 -0.82718E+00 -0.18652E-01 7608 0.243E+01 0.254E-01 RMM: 2 -0.344394247002E+03 -0.13834E-01 -0.10601E-01 5055 0.782E-01 0.893E-01 RMM: 3 -0.344388904577E+03 0.53424E-02 -0.10800E-02 5600 0.210E-01 0.216E-01 RMM: 4 -0.344388777519E+03 0.12706E-03 -0.10769E-03 4740 0.795E-02 0.223E-01 RMM: 5 -0.344388501250E+03 0.27627E-03 -0.40223E-04 4426 0.538E-02 0.138E-01 RMM: 6 -0.344388438597E+03 0.62654E-04 -0.15598E-04 3882 0.330E-02 0.104E-01 RMM: 7 -0.344388459881E+03 -0.21284E-04 -0.10135E-04 3777 0.278E-02 0.122E-01 RMM: 8 -0.344388360149E+03 0.99732E-04 -0.50180E-05 3301 0.214E-02 0.313E-02 RMM: 9 -0.344388357233E+03 0.29165E-05 -0.10349E-05 2479 0.908E-03 6322 T= 6814. E= 0.70123287E+03 F= 0.64486426E+03 E0= 0.67476002E+03 EK= 0.56369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345348173388E+03 -0.95981E+00 -0.18519E-01 7572 0.239E+01 0.283E-01 RMM: 2 -0.345363344011E+03 -0.15171E-01 -0.89944E-02 5131 0.727E-01 0.114E+00 RMM: 3 -0.345354749157E+03 0.85949E-02 -0.92210E-03 5470 0.208E-01 0.198E-01 RMM: 4 -0.345354895745E+03 -0.14659E-03 -0.11985E-03 4686 0.827E-02 0.273E-01 RMM: 5 -0.345354467459E+03 0.42829E-03 -0.41759E-04 4516 0.546E-02 0.138E-01 RMM: 6 -0.345354396632E+03 0.70828E-04 -0.15167E-04 3876 0.318E-02 0.965E-02 RMM: 7 -0.345354412343E+03 -0.15711E-04 -0.82121E-05 3662 0.257E-02 6323 T= 6548. E= 0.69782513E+03 F= 0.64365302E+03 E0= 0.67351580E+03 EK= 0.54172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346388469460E+03 -0.10341E+01 -0.18052E-01 7740 0.235E+01 0.282E-01 RMM: 2 -0.346398287461E+03 -0.98180E-02 -0.83526E-02 5085 0.687E-01 0.743E-01 RMM: 3 -0.346394603166E+03 0.36843E-02 -0.83180E-03 5511 0.191E-01 0.232E-01 RMM: 4 -0.346394919069E+03 -0.31590E-03 -0.12439E-03 4801 0.869E-02 0.341E-01 RMM: 5 -0.346394200298E+03 0.71877E-03 -0.52288E-04 4524 0.602E-02 0.129E-01 RMM: 6 -0.346394160082E+03 0.40216E-04 -0.15574E-04 3884 0.323E-02 0.111E-01 RMM: 7 -0.346394153358E+03 0.67239E-05 -0.98390E-05 3799 0.279E-02 6324 T= 6253. E= 0.69409125E+03 F= 0.64235886E+03 E0= 0.67218832E+03 EK= 0.51732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347456668246E+03 -0.10625E+01 -0.17515E-01 7680 0.231E+01 0.292E-01 RMM: 2 -0.347468848304E+03 -0.12180E-01 -0.86901E-02 4875 0.718E-01 0.948E-01 RMM: 3 -0.347462948177E+03 0.59001E-02 -0.10017E-02 5517 0.217E-01 0.223E-01 RMM: 4 -0.347463079277E+03 -0.13110E-03 -0.12688E-03 4784 0.850E-02 0.293E-01 RMM: 5 -0.347462689980E+03 0.38930E-03 -0.47942E-04 4563 0.579E-02 0.187E-01 RMM: 6 -0.347462476429E+03 0.21355E-03 -0.19915E-04 3894 0.371E-02 0.693E-02 RMM: 7 -0.347462547032E+03 -0.70603E-04 -0.80717E-05 3622 0.253E-02 0.128E-01 RMM: 8 -0.347462437960E+03 0.10907E-03 -0.39356E-05 3121 0.197E-02 0.328E-02 RMM: 9 -0.347462434442E+03 0.35186E-05 -0.11837E-05 2482 0.977E-03 6325 T= 6025. E= 0.69086746E+03 F= 0.64102634E+03 E0= 0.67082338E+03 EK= 0.49841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348515961842E+03 -0.10535E+01 -0.17255E-01 7764 0.228E+01 0.246E-01 RMM: 2 -0.348525596562E+03 -0.96347E-02 -0.79743E-02 4888 0.664E-01 0.716E-01 RMM: 3 -0.348521887318E+03 0.37092E-02 -0.83697E-03 5584 0.188E-01 0.164E-01 RMM: 4 -0.348522337919E+03 -0.45060E-03 -0.10932E-03 4786 0.829E-02 0.336E-01 RMM: 5 -0.348521619325E+03 0.71859E-03 -0.43704E-04 4477 0.562E-02 0.916E-02 RMM: 6 -0.348521613956E+03 0.53696E-05 -0.11933E-04 3849 0.284E-02 6326 T= 5923. E= 0.68869170E+03 F= 0.63969441E+03 E0= 0.66946160E+03 EK= 0.48997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349528978558E+03 -0.10074E+01 -0.17103E-01 7764 0.229E+01 0.365E-01 RMM: 2 -0.349550117402E+03 -0.21139E-01 -0.78050E-02 4937 0.686E-01 0.155E+00 RMM: 3 -0.349534009330E+03 0.16108E-01 -0.12161E-02 5357 0.266E-01 0.304E-01 RMM: 4 -0.349533741099E+03 0.26823E-03 -0.17569E-03 5058 0.948E-02 0.254E-01 RMM: 5 -0.349533640521E+03 0.10058E-03 -0.69365E-04 4606 0.687E-02 0.255E-01 RMM: 6 -0.349533263153E+03 0.37737E-03 -0.35578E-04 3995 0.505E-02 0.103E-01 RMM: 7 -0.349533326876E+03 -0.63723E-04 -0.14331E-04 3866 0.334E-02 0.146E-01 RMM: 8 -0.349533187356E+03 0.13952E-03 -0.81311E-05 3689 0.273E-02 0.466E-02 RMM: 9 -0.349533179155E+03 0.82016E-05 -0.16509E-05 2543 0.121E-02 6327 T= 5966. E= 0.68775917E+03 F= 0.63840434E+03 E0= 0.66814362E+03 EK= 0.49355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350445521463E+03 -0.91233E+00 -0.16790E-01 7884 0.231E+01 0.336E-01 RMM: 2 -0.350467621997E+03 -0.22101E-01 -0.70243E-02 4882 0.645E-01 0.162E+00 RMM: 3 -0.350450135096E+03 0.17487E-01 -0.11181E-02 5353 0.257E-01 0.309E-01 RMM: 4 -0.350449698089E+03 0.43701E-03 -0.17128E-03 5054 0.938E-02 0.211E-01 RMM: 5 -0.350449764673E+03 -0.66584E-04 -0.53524E-04 4546 0.621E-02 0.251E-01 RMM: 6 -0.350449355366E+03 0.40931E-03 -0.21199E-04 3880 0.392E-02 0.536E-02 RMM: 7 -0.350449416184E+03 -0.60818E-04 -0.95529E-05 3699 0.264E-02 0.114E-01 RMM: 8 -0.350449331433E+03 0.84751E-04 -0.41843E-05 3169 0.205E-02 0.320E-02 RMM: 9 -0.350449325745E+03 0.56885E-05 -0.82171E-06 2470 0.835E-03 6328 T= 6134. E= 0.68795312E+03 F= 0.63720708E+03 E0= 0.66692289E+03 EK= 0.50746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351209892790E+03 -0.76056E+00 -0.17789E-01 7800 0.236E+01 0.303E-01 RMM: 2 -0.351227455164E+03 -0.17562E-01 -0.82652E-02 4907 0.708E-01 0.132E+00 RMM: 3 -0.351215772921E+03 0.11682E-01 -0.10358E-02 5401 0.233E-01 0.250E-01 RMM: 4 -0.351215573627E+03 0.19929E-03 -0.13571E-03 4806 0.849E-02 0.218E-01 RMM: 5 -0.351215401587E+03 0.17204E-03 -0.62577E-04 4608 0.695E-02 0.186E-01 RMM: 6 -0.351215235552E+03 0.16603E-03 -0.21612E-04 3880 0.384E-02 0.102E-01 RMM: 7 -0.351215242225E+03 -0.66733E-05 -0.12228E-04 3839 0.335E-02 6329 T= 6372. E= 0.68887080E+03 F= 0.63616001E+03 E0= 0.66585769E+03 EK= 0.52711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351773839612E+03 -0.55860E+00 -0.18296E-01 7656 0.240E+01 0.295E-01 RMM: 2 -0.351784959288E+03 -0.11120E-01 -0.74915E-02 4991 0.672E-01 0.945E-01 RMM: 3 -0.351779013055E+03 0.59462E-02 -0.85654E-03 5417 0.204E-01 0.229E-01 RMM: 4 -0.351779130129E+03 -0.11707E-03 -0.12263E-03 4755 0.852E-02 0.296E-01 RMM: 5 -0.351778677828E+03 0.45230E-03 -0.72339E-04 4607 0.738E-02 0.176E-01 RMM: 6 -0.351778556490E+03 0.12134E-03 -0.26439E-04 3907 0.422E-02 0.121E-01 RMM: 7 -0.351778573041E+03 -0.16551E-04 -0.14112E-04 3871 0.354E-02 6330 T= 6596. E= 0.68988392E+03 F= 0.63531655E+03 E0= 0.66500239E+03 EK= 0.54567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352098254847E+03 -0.31970E+00 -0.19082E-01 7764 0.243E+01 0.281E-01 RMM: 2 -0.352110361363E+03 -0.12107E-01 -0.88863E-02 4836 0.736E-01 0.912E-01 RMM: 3 -0.352104878348E+03 0.54830E-02 -0.10459E-02 5475 0.221E-01 0.234E-01 RMM: 4 -0.352104799022E+03 0.79326E-04 -0.11327E-03 4800 0.803E-02 0.245E-01 RMM: 5 -0.352104524766E+03 0.27426E-03 -0.59334E-04 4608 0.672E-02 0.173E-01 RMM: 6 -0.352104381868E+03 0.14290E-03 -0.24573E-04 3897 0.409E-02 0.991E-02 RMM: 7 -0.352104415078E+03 -0.33210E-04 -0.11050E-04 3819 0.312E-02 0.127E-01 RMM: 8 -0.352104311661E+03 0.10342E-03 -0.43943E-05 3199 0.204E-02 0.376E-02 RMM: 9 -0.352104306928E+03 0.47333E-05 -0.13210E-05 2492 0.104E-02 6331 T= 6723. E= 0.69032722E+03 F= 0.63471108E+03 E0= 0.66439336E+03 EK= 0.55616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352188316684E+03 -0.84005E-01 -0.18470E-01 7788 0.243E+01 0.249E-01 RMM: 2 -0.352197847147E+03 -0.95305E-02 -0.72209E-02 4884 0.644E-01 0.785E-01 RMM: 3 -0.352193514575E+03 0.43326E-02 -0.78480E-03 5438 0.190E-01 0.165E-01 RMM: 4 -0.352193968526E+03 -0.45395E-03 -0.10696E-03 4782 0.813E-02 0.327E-01 RMM: 5 -0.352193284805E+03 0.68372E-03 -0.43099E-04 4512 0.566E-02 0.936E-02 RMM: 6 -0.352193270368E+03 0.14437E-04 -0.12107E-04 3851 0.288E-02 6332 T= 6703. E= 0.68979625E+03 F= 0.63434080E+03 E0= 0.66402975E+03 EK= 0.55455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352080803171E+03 0.11248E+00 -0.18096E-01 7680 0.241E+01 0.396E-01 RMM: 2 -0.352104867042E+03 -0.24064E-01 -0.76672E-02 5028 0.691E-01 0.172E+00 RMM: 3 -0.352085203450E+03 0.19664E-01 -0.12296E-02 5339 0.270E-01 0.319E-01 RMM: 4 -0.352085126775E+03 0.76674E-04 -0.21584E-03 5224 0.108E-01 0.321E-01 RMM: 5 -0.352084839390E+03 0.28739E-03 -0.79552E-04 4603 0.738E-02 0.275E-01 RMM: 6 -0.352084375483E+03 0.46391E-03 -0.34337E-04 3943 0.488E-02 0.920E-02 RMM: 7 -0.352084458872E+03 -0.83389E-04 -0.15821E-04 3886 0.344E-02 0.150E-01 RMM: 8 -0.352084312842E+03 0.14603E-03 -0.84136E-05 3680 0.276E-02 0.502E-02 RMM: 9 -0.352084302053E+03 0.10789E-04 -0.18097E-05 2569 0.126E-02 6333 T= 6552. E= 0.68836399E+03 F= 0.63416446E+03 E0= 0.66386828E+03 EK= 0.54200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351844760246E+03 0.23955E+00 -0.17112E-01 7560 0.237E+01 0.375E-01 RMM: 2 -0.351868099651E+03 -0.23339E-01 -0.67794E-02 5025 0.644E-01 0.171E+00 RMM: 3 -0.351848455034E+03 0.19645E-01 -0.11260E-02 5335 0.262E-01 0.311E-01 RMM: 4 -0.351848403699E+03 0.51335E-04 -0.21452E-03 5186 0.108E-01 0.309E-01 RMM: 5 -0.351848119336E+03 0.28436E-03 -0.50482E-04 4599 0.595E-02 0.248E-01 RMM: 6 -0.351847707728E+03 0.41161E-03 -0.19279E-04 3880 0.374E-02 0.480E-02 RMM: 7 -0.351847754412E+03 -0.46684E-04 -0.77851E-05 3563 0.244E-02 0.101E-01 RMM: 8 -0.351847685334E+03 0.69078E-04 -0.33209E-05 3025 0.185E-02 0.282E-02 RMM: 9 -0.351847681892E+03 0.34414E-05 -0.88136E-06 2466 0.840E-03 6334 T= 6335. E= 0.68652111E+03 F= 0.63410988E+03 E0= 0.66383831E+03 EK= 0.52411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351560907225E+03 0.28678E+00 -0.16837E-01 7800 0.234E+01 0.355E-01 RMM: 2 -0.351576610457E+03 -0.15703E-01 -0.69947E-02 5080 0.651E-01 0.132E+00 RMM: 3 -0.351564906567E+03 0.11704E-01 -0.91485E-03 5339 0.224E-01 0.265E-01 RMM: 4 -0.351565331651E+03 -0.42508E-03 -0.19202E-03 5010 0.104E-01 0.380E-01 RMM: 5 -0.351564558744E+03 0.77291E-03 -0.62364E-04 4602 0.663E-02 0.192E-01 RMM: 6 -0.351564330559E+03 0.22818E-03 -0.17392E-04 3881 0.345E-02 0.681E-02 RMM: 7 -0.351564384467E+03 -0.53908E-04 -0.96120E-05 3775 0.270E-02 0.117E-01 RMM: 8 -0.351564291911E+03 0.92555E-04 -0.45249E-05 3219 0.207E-02 0.333E-02 RMM: 9 -0.351564288473E+03 0.34387E-05 -0.11254E-05 2485 0.958E-03 6335 T= 6141. E= 0.68489885E+03 F= 0.63409567E+03 E0= 0.66385550E+03 EK= 0.50803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351301614581E+03 0.26268E+00 -0.16539E-01 7812 0.231E+01 0.331E-01 RMM: 2 -0.351313733025E+03 -0.12118E-01 -0.66801E-02 5009 0.626E-01 0.110E+00 RMM: 3 -0.351305461496E+03 0.82715E-02 -0.76602E-03 5361 0.198E-01 0.212E-01 RMM: 4 -0.351306290019E+03 -0.82852E-03 -0.17330E-03 4957 0.102E-01 0.421E-01 RMM: 5 -0.351305184970E+03 0.11050E-02 -0.62164E-04 4604 0.660E-02 0.148E-01 RMM: 6 -0.351305071380E+03 0.11359E-03 -0.15728E-04 3877 0.321E-02 0.779E-02 RMM: 7 -0.351305112712E+03 -0.41332E-04 -0.74780E-05 3562 0.243E-02 0.116E-01 RMM: 8 -0.351305021393E+03 0.91319E-04 -0.40304E-05 3140 0.197E-02 0.269E-02 RMM: 9 -0.351305022461E+03 -0.10679E-05 -0.10503E-05 2484 0.911E-03 6336 T= 6038. E= 0.68400005E+03 F= 0.63405206E+03 E0= 0.66384825E+03 EK= 0.49948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351119199730E+03 0.18582E+00 -0.16720E-01 7776 0.230E+01 0.311E-01 RMM: 2 -0.351130462657E+03 -0.11263E-01 -0.77497E-02 4921 0.670E-01 0.960E-01 RMM: 3 -0.351124335912E+03 0.61267E-02 -0.87045E-03 5415 0.202E-01 0.228E-01 RMM: 4 -0.351124856449E+03 -0.52054E-03 -0.16325E-03 4925 0.989E-02 0.378E-01 RMM: 5 -0.351124043762E+03 0.81269E-03 -0.60806E-04 4593 0.653E-02 0.167E-01 RMM: 6 -0.351123883537E+03 0.16022E-03 -0.16872E-04 3889 0.336E-02 0.757E-02 RMM: 7 -0.351123929368E+03 -0.45831E-04 -0.84962E-05 3641 0.262E-02 0.117E-01 RMM: 8 -0.351123837583E+03 0.91785E-04 -0.39905E-05 3146 0.196E-02 0.287E-02 RMM: 9 -0.351123836260E+03 0.13232E-05 -0.10555E-05 2479 0.914E-03 6337 T= 6061. E= 0.68406630E+03 F= 0.63392753E+03 E0= 0.66376273E+03 EK= 0.50139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351049694272E+03 0.74143E-01 -0.16530E-01 7944 0.231E+01 0.309E-01 RMM: 2 -0.351061166734E+03 -0.11472E-01 -0.68721E-02 5145 0.622E-01 0.104E+00 RMM: 3 -0.351053932038E+03 0.72347E-02 -0.73897E-03 5409 0.189E-01 0.208E-01 RMM: 4 -0.351054440756E+03 -0.50872E-03 -0.14922E-03 4728 0.944E-02 0.365E-01 RMM: 5 -0.351053611601E+03 0.82915E-03 -0.60791E-04 4599 0.657E-02 0.136E-01 RMM: 6 -0.351053554369E+03 0.57232E-04 -0.16733E-04 3888 0.331E-02 0.105E-01 RMM: 7 -0.351053557826E+03 -0.34575E-05 -0.84511E-05 3691 0.269E-02 6338 T= 6207. E= 0.68504384E+03 F= 0.63369215E+03 E0= 0.66356734E+03 EK= 0.51352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351101064020E+03 -0.47510E-01 -0.17244E-01 7848 0.234E+01 0.310E-01 RMM: 2 -0.351111682599E+03 -0.10619E-01 -0.82823E-02 5051 0.670E-01 0.857E-01 RMM: 3 -0.351106748141E+03 0.49345E-02 -0.86407E-03 5521 0.191E-01 0.233E-01 RMM: 4 -0.351107128673E+03 -0.38053E-03 -0.15030E-03 4792 0.963E-02 0.369E-01 RMM: 5 -0.351106291700E+03 0.83697E-03 -0.74908E-04 4603 0.739E-02 0.141E-01 RMM: 6 -0.351106290127E+03 0.15724E-05 -0.21842E-04 3899 0.377E-02 0.146E-01 RMM: 7 -0.351106210463E+03 0.79664E-04 -0.12879E-04 3874 0.346E-02 0.108E-01 RMM: 8 -0.351106136429E+03 0.74034E-04 -0.47517E-05 3256 0.205E-02 0.350E-02 RMM: 9 -0.351106143738E+03 -0.73086E-05 -0.16402E-05 2530 0.115E-02 6339 T= 6436. E= 0.68657768E+03 F= 0.63333618E+03 E0= 0.66325010E+03 EK= 0.53242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351272016782E+03 -0.16588E+00 -0.18011E-01 8052 0.238E+01 0.271E-01 RMM: 2 -0.351284404162E+03 -0.12387E-01 -0.78628E-02 5154 0.662E-01 0.101E+00 RMM: 3 -0.351277576493E+03 0.68277E-02 -0.81692E-03 5481 0.194E-01 0.207E-01 RMM: 4 -0.351277571670E+03 0.48229E-05 -0.10935E-03 4633 0.779E-02 0.240E-01 RMM: 5 -0.351277320701E+03 0.25097E-03 -0.49378E-04 4587 0.613E-02 0.168E-01 RMM: 6 -0.351277169675E+03 0.15103E-03 -0.19639E-04 3888 0.368E-02 0.812E-02 RMM: 7 -0.351277228572E+03 -0.58897E-04 -0.83976E-05 3645 0.263E-02 0.126E-01 RMM: 8 -0.351277121709E+03 0.10686E-03 -0.38239E-05 3122 0.193E-02 0.258E-02 RMM: 9 -0.351277119251E+03 0.24584E-05 -0.69046E-06 2465 0.739E-03 6340 T= 6671. E= 0.68804945E+03 F= 0.63286476E+03 E0= 0.66281381E+03 EK= 0.55185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351549893430E+03 -0.27277E+00 -0.18498E-01 7896 0.240E+01 0.285E-01 RMM: 2 -0.351558377248E+03 -0.84838E-02 -0.74237E-02 5316 0.621E-01 0.721E-01 RMM: 3 -0.351554885913E+03 0.34913E-02 -0.64972E-03 5663 0.162E-01 0.214E-01 RMM: 4 -0.351555221142E+03 -0.33523E-03 -0.12553E-03 4631 0.906E-02 0.348E-01 RMM: 5 -0.351554444682E+03 0.77646E-03 -0.67833E-04 4604 0.707E-02 0.120E-01 RMM: 6 -0.351554511071E+03 -0.66389E-04 -0.23697E-04 3895 0.393E-02 0.162E-01 RMM: 7 -0.351554393949E+03 0.11712E-03 -0.11561E-04 3865 0.334E-02 0.103E-01 RMM: 8 -0.351554326508E+03 0.67441E-04 -0.33401E-05 3043 0.173E-02 0.340E-02 RMM: 9 -0.351554329526E+03 -0.30180E-05 -0.16176E-05 2505 0.114E-02 6341 T= 6824. E= 0.68874177E+03 F= 0.63228885E+03 E0= 0.66226851E+03 EK= 0.56453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351918993788E+03 -0.36467E+00 -0.18448E-01 8100 0.241E+01 0.285E-01 RMM: 2 -0.351931569399E+03 -0.12576E-01 -0.81305E-02 5231 0.654E-01 0.101E+00 RMM: 3 -0.351924596329E+03 0.69731E-02 -0.77167E-03 5523 0.185E-01 0.213E-01 RMM: 4 -0.351924680163E+03 -0.83834E-04 -0.11966E-03 4632 0.836E-02 0.276E-01 RMM: 5 -0.351924300482E+03 0.37968E-03 -0.56067E-04 4595 0.652E-02 0.169E-01 RMM: 6 -0.351924166120E+03 0.13436E-03 -0.19025E-04 3903 0.355E-02 0.988E-02 RMM: 7 -0.351924184644E+03 -0.18524E-04 -0.10286E-04 3850 0.296E-02 6342 T= 6833. E= 0.68814807E+03 F= 0.63161926E+03 E0= 0.66162207E+03 EK= 0.56529E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352372425840E+03 -0.44826E+00 -0.17974E-01 8016 0.239E+01 0.326E-01 RMM: 2 -0.352381425285E+03 -0.89994E-02 -0.81529E-02 5269 0.637E-01 0.739E-01 RMM: 3 -0.352377627534E+03 0.37978E-02 -0.71632E-03 5494 0.178E-01 0.256E-01 RMM: 4 -0.352378341839E+03 -0.71431E-03 -0.15747E-03 4688 0.992E-02 0.439E-01 RMM: 5 -0.352377100116E+03 0.12417E-02 -0.80060E-04 4599 0.754E-02 0.128E-01 RMM: 6 -0.352377130167E+03 -0.30051E-04 -0.23091E-04 3907 0.384E-02 0.151E-01 RMM: 7 -0.352377042706E+03 0.87461E-04 -0.12133E-04 3870 0.336E-02 0.110E-01 RMM: 8 -0.352376965762E+03 0.76944E-04 -0.43041E-05 3178 0.195E-02 0.359E-02 RMM: 9 -0.352376972228E+03 -0.64655E-05 -0.19610E-05 2550 0.126E-02 6343 T= 6695. E= 0.68625178E+03 F= 0.63086220E+03 E0= 0.66088059E+03 EK= 0.55390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352904285581E+03 -0.52732E+00 -0.17547E-01 8052 0.235E+01 0.281E-01 RMM: 2 -0.352916701736E+03 -0.12416E-01 -0.86085E-02 5144 0.652E-01 0.945E-01 RMM: 3 -0.352910236485E+03 0.64653E-02 -0.79938E-03 5543 0.184E-01 0.179E-01 RMM: 4 -0.352910748560E+03 -0.51208E-03 -0.13280E-03 4659 0.884E-02 0.354E-01 RMM: 5 -0.352910030788E+03 0.71777E-03 -0.50513E-04 4552 0.600E-02 0.149E-01 RMM: 6 -0.352909903295E+03 0.12749E-03 -0.14763E-04 3889 0.312E-02 0.661E-02 RMM: 7 -0.352909937494E+03 -0.34199E-04 -0.61616E-05 3439 0.227E-02 0.102E-01 RMM: 8 -0.352909868771E+03 0.68724E-04 -0.28684E-05 2941 0.173E-02 0.212E-02 RMM: 9 -0.352909868633E+03 0.13749E-06 -0.65791E-06 2455 0.706E-03 6344 T= 6469. E= 0.68353532E+03 F= 0.63001730E+03 E0= 0.66004177E+03 EK= 0.53518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353520276283E+03 -0.61041E+00 -0.17245E-01 8088 0.230E+01 0.329E-01 RMM: 2 -0.353528372623E+03 -0.80963E-02 -0.78607E-02 5291 0.610E-01 0.675E-01 RMM: 3 -0.353525119970E+03 0.32527E-02 -0.65974E-03 5558 0.169E-01 0.263E-01 RMM: 4 -0.353525981431E+03 -0.86146E-03 -0.15752E-03 4694 0.998E-02 0.466E-01 RMM: 5 -0.353524584132E+03 0.13973E-02 -0.71639E-04 4608 0.705E-02 0.122E-01 RMM: 6 -0.353524554626E+03 0.29506E-04 -0.18163E-04 3896 0.339E-02 0.112E-01 RMM: 7 -0.353524526398E+03 0.28228E-04 -0.80544E-05 3710 0.272E-02 0.101E-01 RMM: 8 -0.353524460490E+03 0.65908E-04 -0.30384E-05 2970 0.169E-02 0.296E-02 RMM: 9 -0.353524463764E+03 -0.32732E-05 -0.14857E-05 2495 0.108E-02 6345 T= 6241. E= 0.68070882E+03 F= 0.62908111E+03 E0= 0.65910300E+03 EK= 0.51628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354213620233E+03 -0.68916E+00 -0.17119E-01 8040 0.227E+01 0.324E-01 RMM: 2 -0.354225487087E+03 -0.11867E-01 -0.84129E-02 5123 0.641E-01 0.953E-01 RMM: 3 -0.354219001692E+03 0.64854E-02 -0.81245E-03 5520 0.188E-01 0.213E-01 RMM: 4 -0.354219860148E+03 -0.85846E-03 -0.16719E-03 4762 0.101E-01 0.438E-01 RMM: 5 -0.354218660928E+03 0.11992E-02 -0.68734E-04 4577 0.696E-02 0.135E-01 RMM: 6 -0.354218580041E+03 0.80887E-04 -0.14864E-04 3881 0.307E-02 0.872E-02 RMM: 7 -0.354218582401E+03 -0.23599E-05 -0.76826E-05 3636 0.258E-02 6346 T= 6085. E= 0.67839721E+03 F= 0.62805580E+03 E0= 0.65806621E+03 EK= 0.50341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354975448036E+03 -0.75687E+00 -0.16450E-01 8172 0.225E+01 0.348E-01 RMM: 2 -0.354983559416E+03 -0.81114E-02 -0.75881E-02 5336 0.598E-01 0.721E-01 RMM: 3 -0.354979888024E+03 0.36714E-02 -0.64006E-03 5500 0.169E-01 0.282E-01 RMM: 4 -0.354980857114E+03 -0.96909E-03 -0.18422E-03 4724 0.108E-01 0.495E-01 RMM: 5 -0.354979277818E+03 0.15793E-02 -0.90700E-04 4608 0.799E-02 0.127E-01 RMM: 6 -0.354979265797E+03 0.12021E-04 -0.20234E-04 3907 0.361E-02 0.129E-01 RMM: 7 -0.354979218402E+03 0.47395E-04 -0.11438E-04 3858 0.321E-02 0.109E-01 RMM: 8 -0.354979140365E+03 0.78037E-04 -0.48116E-05 3253 0.206E-02 0.336E-02 RMM: 9 -0.354979147639E+03 -0.72735E-05 -0.19058E-05 2553 0.126E-02 6347 T= 6045. E= 0.67696800E+03 F= 0.62695622E+03 E0= 0.65694606E+03 EK= 0.50012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355769008106E+03 -0.78987E+00 -0.16550E-01 8424 0.226E+01 0.294E-01 RMM: 2 -0.355781386627E+03 -0.12379E-01 -0.82229E-02 5131 0.637E-01 0.985E-01 RMM: 3 -0.355774440846E+03 0.69458E-02 -0.79415E-03 5532 0.187E-01 0.188E-01 RMM: 4 -0.355775042292E+03 -0.60145E-03 -0.14147E-03 4670 0.920E-02 0.380E-01 RMM: 5 -0.355774163226E+03 0.87907E-03 -0.63268E-04 4588 0.681E-02 0.133E-01 RMM: 6 -0.355774091712E+03 0.71514E-04 -0.17280E-04 3884 0.338E-02 0.906E-02 RMM: 7 -0.355774106861E+03 -0.15149E-04 -0.78099E-05 3644 0.262E-02 6348 T= 6126. E= 0.67649454E+03 F= 0.62581728E+03 E0= 0.65577837E+03 EK= 0.50677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356544327934E+03 -0.77024E+00 -0.16808E-01 8352 0.229E+01 0.339E-01 RMM: 2 -0.356552419717E+03 -0.80918E-02 -0.77718E-02 5417 0.608E-01 0.695E-01 RMM: 3 -0.356548965752E+03 0.34540E-02 -0.63311E-03 5588 0.164E-01 0.260E-01 RMM: 4 -0.356549850334E+03 -0.88458E-03 -0.17166E-03 4666 0.105E-01 0.483E-01 RMM: 5 -0.356548361750E+03 0.14886E-02 -0.10248E-03 4608 0.867E-02 0.121E-01 RMM: 6 -0.356548454626E+03 -0.92876E-04 -0.25708E-04 3888 0.413E-02 0.177E-01 RMM: 7 -0.356548280060E+03 0.17457E-03 -0.15044E-04 3861 0.389E-02 0.890E-02 RMM: 8 -0.356548232907E+03 0.47153E-04 -0.37471E-05 3076 0.183E-02 0.396E-02 RMM: 9 -0.356548236693E+03 -0.37858E-05 -0.24232E-05 2561 0.145E-02 6349 T= 6295. E= 0.67677303E+03 F= 0.62469704E+03 E0= 0.65461959E+03 EK= 0.52076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357219903509E+03 -0.67167E+00 -0.17593E-01 8448 0.232E+01 0.265E-01 RMM: 2 -0.357230969032E+03 -0.11066E-01 -0.83711E-02 5268 0.642E-01 0.853E-01 RMM: 3 -0.357225717448E+03 0.52516E-02 -0.74393E-03 5718 0.171E-01 0.174E-01 RMM: 4 -0.357226014412E+03 -0.29696E-03 -0.11781E-03 4651 0.867E-02 0.319E-01 RMM: 5 -0.357225406372E+03 0.60804E-03 -0.61076E-04 4589 0.679E-02 0.127E-01 RMM: 6 -0.357225399553E+03 0.68193E-05 -0.20709E-04 3885 0.370E-02 0.128E-01 RMM: 7 -0.357225357244E+03 0.42309E-04 -0.92985E-05 3787 0.298E-02 0.104E-01 RMM: 8 -0.357225285178E+03 0.72066E-04 -0.30252E-05 2985 0.169E-02 0.241E-02 RMM: 9 -0.357225286883E+03 -0.17050E-05 -0.88516E-06 2470 0.856E-03 6350 T= 6490. E= 0.67736584E+03 F= 0.62367356E+03 E0= 0.65354815E+03 EK= 0.53692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357709482455E+03 -0.48420E+00 -0.18122E-01 8700 0.236E+01 0.303E-01 RMM: 2 -0.357717558436E+03 -0.80760E-02 -0.81003E-02 5404 0.618E-01 0.618E-01 RMM: 3 -0.357714645545E+03 0.29129E-02 -0.61022E-03 5757 0.155E-01 0.224E-01 RMM: 4 -0.357715225600E+03 -0.58006E-03 -0.15566E-03 4661 0.103E-01 0.414E-01 RMM: 5 -0.357714188807E+03 0.10368E-02 -0.84316E-04 4608 0.785E-02 0.139E-01 RMM: 6 -0.357714196637E+03 -0.78309E-05 -0.26397E-04 3909 0.419E-02 0.150E-01 RMM: 7 -0.357714097333E+03 0.99304E-04 -0.13885E-04 3852 0.375E-02 0.101E-01 RMM: 8 -0.357714033619E+03 0.63714E-04 -0.32339E-05 2978 0.174E-02 0.339E-02 RMM: 9 -0.357714038306E+03 -0.46863E-05 -0.18858E-05 2525 0.127E-02 6351 T= 6634. E= 0.67772314E+03 F= 0.62283819E+03 E0= 0.65265668E+03 EK= 0.54885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357925173437E+03 -0.21114E+00 -0.18271E-01 8304 0.238E+01 0.285E-01 RMM: 2 -0.357935527629E+03 -0.10354E-01 -0.84763E-02 5303 0.642E-01 0.797E-01 RMM: 3 -0.357930844991E+03 0.46826E-02 -0.71839E-03 5717 0.170E-01 0.199E-01 RMM: 4 -0.357931275271E+03 -0.43028E-03 -0.13769E-03 4670 0.954E-02 0.363E-01 RMM: 5 -0.357930458092E+03 0.81718E-03 -0.78875E-04 4604 0.773E-02 0.123E-01 RMM: 6 -0.357930508962E+03 -0.50870E-04 -0.23549E-04 3882 0.396E-02 0.158E-01 RMM: 7 -0.357930391992E+03 0.11697E-03 -0.12378E-04 3841 0.350E-02 0.937E-02 RMM: 8 -0.357930336226E+03 0.55766E-04 -0.30318E-05 2963 0.169E-02 0.303E-02 RMM: 9 -0.357930340013E+03 -0.37872E-05 -0.14468E-05 2500 0.112E-02 6352 T= 6665. E= 0.67740780E+03 F= 0.62227363E+03 E0= 0.65202860E+03 EK= 0.55134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357811952468E+03 0.11838E+00 -0.18262E-01 8496 0.238E+01 0.310E-01 RMM: 2 -0.357821764564E+03 -0.98121E-02 -0.89175E-02 5177 0.656E-01 0.724E-01 RMM: 3 -0.357817840266E+03 0.39243E-02 -0.79352E-03 5735 0.176E-01 0.213E-01 RMM: 4 -0.357818486835E+03 -0.64657E-03 -0.17013E-03 4817 0.106E-01 0.418E-01 RMM: 5 -0.357817435941E+03 0.10509E-02 -0.82751E-04 4608 0.779E-02 0.146E-01 RMM: 6 -0.357817382239E+03 0.53702E-04 -0.21098E-04 3888 0.373E-02 0.123E-01 RMM: 7 -0.357817338697E+03 0.43542E-04 -0.12385E-04 3847 0.350E-02 0.104E-01 RMM: 8 -0.357817269654E+03 0.69043E-04 -0.34653E-05 3063 0.181E-02 0.301E-02 RMM: 9 -0.357817273563E+03 -0.39096E-05 -0.15425E-05 2508 0.114E-02 6353 T= 6564. E= 0.67633288E+03 F= 0.62203454E+03 E0= 0.65172197E+03 EK= 0.54298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357350269255E+03 0.46700E+00 -0.18403E-01 8184 0.235E+01 0.311E-01 RMM: 2 -0.357359309532E+03 -0.90403E-02 -0.89885E-02 5105 0.651E-01 0.623E-01 RMM: 3 -0.357356280909E+03 0.30286E-02 -0.81940E-03 5598 0.183E-01 0.253E-01 RMM: 4 -0.357356889500E+03 -0.60859E-03 -0.17039E-03 4925 0.107E-01 0.424E-01 RMM: 5 -0.357355728085E+03 0.11614E-02 -0.77625E-04 4605 0.746E-02 0.109E-01 RMM: 6 -0.357355749201E+03 -0.21116E-04 -0.17728E-04 3877 0.341E-02 0.129E-01 RMM: 7 -0.357355679111E+03 0.70090E-04 -0.91094E-05 3776 0.295E-02 0.889E-02 RMM: 8 -0.357355628813E+03 0.50298E-04 -0.27226E-05 2890 0.162E-02 0.283E-02 RMM: 9 -0.357355633316E+03 -0.45036E-05 -0.13743E-05 2494 0.106E-02 6354 T= 6369. E= 0.67482732E+03 F= 0.62213811E+03 E0= 0.65175653E+03 EK= 0.52689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356560606936E+03 0.79502E+00 -0.17173E-01 8292 0.232E+01 0.335E-01 RMM: 2 -0.356568762239E+03 -0.81553E-02 -0.82080E-02 5193 0.621E-01 0.657E-01 RMM: 3 -0.356565585490E+03 0.31767E-02 -0.72946E-03 5595 0.172E-01 0.250E-01 RMM: 4 -0.356566304055E+03 -0.71856E-03 -0.16712E-03 4780 0.104E-01 0.444E-01 RMM: 5 -0.356565060035E+03 0.12440E-02 -0.75951E-04 4597 0.733E-02 0.121E-01 RMM: 6 -0.356565024937E+03 0.35098E-04 -0.15525E-04 3878 0.315E-02 0.106E-01 RMM: 7 -0.356564997254E+03 0.27683E-04 -0.83943E-05 3759 0.282E-02 0.954E-02 RMM: 8 -0.356564938056E+03 0.59198E-04 -0.30019E-05 2986 0.169E-02 0.254E-02 RMM: 9 -0.356564943185E+03 -0.51294E-05 -0.14571E-05 2499 0.108E-02 6355 T= 6153. E= 0.67346908E+03 F= 0.62256414E+03 E0= 0.65211593E+03 EK= 0.50905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355488369927E+03 0.10766E+01 -0.15978E-01 8040 0.228E+01 0.340E-01 RMM: 2 -0.355494830497E+03 -0.64606E-02 -0.74630E-02 5160 0.594E-01 0.545E-01 RMM: 3 -0.355492970857E+03 0.18596E-02 -0.67885E-03 5509 0.170E-01 0.336E-01 RMM: 4 -0.355493506614E+03 -0.53576E-03 -0.16633E-03 4807 0.104E-01 0.459E-01 RMM: 5 -0.355492124991E+03 0.13816E-02 -0.82571E-04 4608 0.761E-02 0.962E-02 RMM: 6 -0.355492143607E+03 -0.18615E-04 -0.14741E-04 3875 0.306E-02 6356 T= 5991. E= 0.67282896E+03 F= 0.62326708E+03 E0= 0.65275706E+03 EK= 0.49562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354190082881E+03 0.13020E+01 -0.15075E-01 8016 0.226E+01 0.454E-01 RMM: 2 -0.354211576575E+03 -0.21494E-01 -0.71089E-02 5181 0.618E-01 0.166E+00 RMM: 3 -0.354192991065E+03 0.18586E-01 -0.11178E-02 5346 0.255E-01 0.323E-01 RMM: 4 -0.354193763048E+03 -0.77198E-03 -0.27200E-03 5137 0.121E-01 0.490E-01 RMM: 5 -0.354192504698E+03 0.12584E-02 -0.11116E-03 4612 0.897E-02 0.247E-01 RMM: 6 -0.354192158055E+03 0.34664E-03 -0.33284E-04 3931 0.480E-02 0.105E-01 RMM: 7 -0.354192222782E+03 -0.64727E-04 -0.15551E-04 3871 0.350E-02 0.149E-01 RMM: 8 -0.354192075233E+03 0.14755E-03 -0.88461E-05 3687 0.282E-02 0.490E-02 RMM: 9 -0.354192069734E+03 0.54991E-05 -0.20405E-05 2592 0.134E-02 6357 T= 5935. E= 0.67329650E+03 F= 0.62419550E+03 E0= 0.65362812E+03 EK= 0.49101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352715749430E+03 0.14763E+01 -0.14623E-01 7488 0.227E+01 0.371E-01 RMM: 2 -0.352732530773E+03 -0.16781E-01 -0.59164E-02 5125 0.561E-01 0.144E+00 RMM: 3 -0.352718665558E+03 0.13865E-01 -0.94742E-03 5348 0.235E-01 0.341E-01 RMM: 4 -0.352718801863E+03 -0.13630E-03 -0.22241E-03 5028 0.111E-01 0.376E-01 RMM: 5 -0.352718112354E+03 0.68951E-03 -0.74868E-04 4588 0.756E-02 0.212E-01 RMM: 6 -0.352717824646E+03 0.28771E-03 -0.16394E-04 3881 0.340E-02 0.560E-02 RMM: 7 -0.352717871131E+03 -0.46485E-04 -0.79980E-05 3556 0.238E-02 0.105E-01 RMM: 8 -0.352717798444E+03 0.72686E-04 -0.36978E-05 3092 0.200E-02 0.227E-02 RMM: 9 -0.352717797013E+03 0.14314E-05 -0.59019E-06 2458 0.679E-03 6358 T= 6009. E= 0.67500741E+03 F= 0.62530083E+03 E0= 0.65468328E+03 EK= 0.49707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351110109602E+03 0.16077E+01 -0.15414E-01 7572 0.229E+01 0.389E-01 RMM: 2 -0.351126880549E+03 -0.16771E-01 -0.64498E-02 5100 0.616E-01 0.142E+00 RMM: 3 -0.351113200437E+03 0.13680E-01 -0.91081E-03 5341 0.227E-01 0.282E-01 RMM: 4 -0.351113615933E+03 -0.41550E-03 -0.21492E-03 4901 0.110E-01 0.395E-01 RMM: 5 -0.351112821388E+03 0.79454E-03 -0.90693E-04 4608 0.825E-02 0.219E-01 RMM: 6 -0.351112545503E+03 0.27589E-03 -0.23463E-04 3898 0.399E-02 0.913E-02 RMM: 7 -0.351112563541E+03 -0.18039E-04 -0.14293E-04 3871 0.356E-02 6359 T= 6199. E= 0.67782372E+03 F= 0.62654426E+03 E0= 0.65588293E+03 EK= 0.51279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349411937475E+03 0.17006E+01 -0.16190E-01 7764 0.234E+01 0.348E-01 RMM: 2 -0.349419659141E+03 -0.77217E-02 -0.64412E-02 5018 0.615E-01 0.801E-01 RMM: 3 -0.349415636390E+03 0.40228E-02 -0.74703E-03 5410 0.188E-01 0.272E-01 RMM: 4 -0.349416530920E+03 -0.89453E-03 -0.17331E-03 4865 0.104E-01 0.473E-01 RMM: 5 -0.349415132809E+03 0.13981E-02 -0.96187E-04 4613 0.844E-02 0.155E-01 RMM: 6 -0.349415055135E+03 0.77674E-04 -0.27381E-04 3906 0.426E-02 0.121E-01 RMM: 7 -0.349415020053E+03 0.35082E-04 -0.12414E-04 3850 0.346E-02 0.112E-01 RMM: 8 -0.349414941574E+03 0.78478E-04 -0.40888E-05 3151 0.195E-02 0.383E-02 RMM: 9 -0.349414947223E+03 -0.56488E-05 -0.21549E-05 2604 0.135E-02 6360 T= 6457. E= 0.68131050E+03 F= 0.62789018E+03 E0= 0.65719001E+03 EK= 0.53420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347659592928E+03 0.17553E+01 -0.17220E-01 7752 0.238E+01 0.271E-01 RMM: 2 -0.347671908353E+03 -0.12315E-01 -0.82888E-02 4832 0.697E-01 0.957E-01 RMM: 3 -0.347665583661E+03 0.63247E-02 -0.94002E-03 5485 0.200E-01 0.172E-01 RMM: 4 -0.347665938381E+03 -0.35472E-03 -0.12967E-03 4794 0.892E-02 0.318E-01 RMM: 5 -0.347665365922E+03 0.57246E-03 -0.57652E-04 4580 0.662E-02 0.144E-01 RMM: 6 -0.347665276605E+03 0.89317E-04 -0.18758E-04 3888 0.357E-02 0.905E-02 RMM: 7 -0.347665284358E+03 -0.77529E-05 -0.79648E-05 3672 0.272E-02 6361 T= 6705. E= 0.68476510E+03 F= 0.62929891E+03 E0= 0.65856597E+03 EK= 0.55466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345910255762E+03 0.17550E+01 -0.17490E-01 7740 0.242E+01 0.336E-01 RMM: 2 -0.345918444920E+03 -0.81892E-02 -0.77223E-02 4973 0.677E-01 0.718E-01 RMM: 3 -0.345915252194E+03 0.31927E-02 -0.86747E-03 5467 0.194E-01 0.265E-01 RMM: 4 -0.345915992635E+03 -0.74044E-03 -0.16591E-03 4897 0.104E-01 0.450E-01 RMM: 5 -0.345914637654E+03 0.13550E-02 -0.98442E-04 4612 0.854E-02 0.117E-01 RMM: 6 -0.345914719394E+03 -0.81740E-04 -0.28518E-04 3908 0.440E-02 0.168E-01 RMM: 7 -0.345914574599E+03 0.14480E-03 -0.13833E-04 3858 0.365E-02 0.974E-02 RMM: 8 -0.345914515660E+03 0.58938E-04 -0.41327E-05 3153 0.191E-02 0.394E-02 RMM: 9 -0.345914520644E+03 -0.49834E-05 -0.21424E-05 2574 0.138E-02 6362 T= 6852. E= 0.68739923E+03 F= 0.63071780E+03 E0= 0.65995682E+03 EK= 0.56681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344224971882E+03 0.16895E+01 -0.17521E-01 7788 0.243E+01 0.254E-01 RMM: 2 -0.344234431580E+03 -0.94597E-02 -0.82726E-02 4895 0.679E-01 0.685E-01 RMM: 3 -0.344231191417E+03 0.32402E-02 -0.87443E-03 5606 0.183E-01 0.175E-01 RMM: 4 -0.344231538674E+03 -0.34726E-03 -0.11859E-03 4773 0.884E-02 0.326E-01 RMM: 5 -0.344230885367E+03 0.65331E-03 -0.53716E-04 4564 0.631E-02 0.116E-01 RMM: 6 -0.344230871071E+03 0.14296E-04 -0.17510E-04 3886 0.345E-02 6363 T= 6842. E= 0.68867907E+03 F= 0.63207529E+03 E0= 0.66129287E+03 EK= 0.56604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342696844789E+03 0.15340E+01 -0.16870E-01 7740 0.242E+01 0.438E-01 RMM: 2 -0.342722753502E+03 -0.25909E-01 -0.85809E-02 5040 0.709E-01 0.177E+00 RMM: 3 -0.342701697559E+03 0.21056E-01 -0.14141E-02 5338 0.288E-01 0.369E-01 RMM: 4 -0.342701403684E+03 0.29387E-03 -0.25131E-03 5174 0.115E-01 0.329E-01 RMM: 5 -0.342701297124E+03 0.10656E-03 -0.11269E-03 4613 0.896E-02 0.332E-01 RMM: 6 -0.342700608696E+03 0.68843E-03 -0.49540E-04 4292 0.589E-02 0.110E-01 RMM: 7 -0.342700687544E+03 -0.78848E-04 -0.20993E-04 3897 0.389E-02 0.160E-01 RMM: 8 -0.342700519892E+03 0.16765E-03 -0.10947E-04 3852 0.325E-02 0.540E-02 RMM: 9 -0.342700507213E+03 0.12679E-04 -0.23109E-05 2757 0.145E-02 6364 T= 6687. E= 0.68860283E+03 F= 0.63328139E+03 E0= 0.66247780E+03 EK= 0.55321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341420666745E+03 0.12799E+01 -0.16389E-01 7404 0.238E+01 0.384E-01 RMM: 2 -0.341443335581E+03 -0.22669E-01 -0.78464E-02 5016 0.658E-01 0.163E+00 RMM: 3 -0.341425466557E+03 0.17869E-01 -0.12042E-02 5345 0.263E-01 0.343E-01 RMM: 4 -0.341425271245E+03 0.19531E-03 -0.23359E-03 5146 0.111E-01 0.316E-01 RMM: 5 -0.341425004263E+03 0.26698E-03 -0.62774E-04 4572 0.666E-02 0.259E-01 RMM: 6 -0.341424554747E+03 0.44952E-03 -0.23880E-04 3894 0.414E-02 0.525E-02 RMM: 7 -0.341424613037E+03 -0.58290E-04 -0.80931E-05 3636 0.241E-02 0.110E-01 RMM: 8 -0.341424531456E+03 0.81582E-04 -0.37884E-05 3081 0.195E-02 0.306E-02 RMM: 9 -0.341424527210E+03 0.42454E-05 -0.98914E-06 2474 0.913E-03 6365 T= 6460. E= 0.68767090E+03 F= 0.63423182E+03 E0= 0.66341152E+03 EK= 0.53439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340496170908E+03 0.92836E+00 -0.16152E-01 7548 0.234E+01 0.400E-01 RMM: 2 -0.340517291627E+03 -0.21121E-01 -0.83099E-02 5187 0.683E-01 0.155E+00 RMM: 3 -0.340500813427E+03 0.16478E-01 -0.10594E-02 5360 0.239E-01 0.276E-01 RMM: 4 -0.340501274483E+03 -0.46106E-03 -0.24970E-03 5194 0.119E-01 0.400E-01 RMM: 5 -0.340500408914E+03 0.86557E-03 -0.83529E-04 4604 0.777E-02 0.211E-01 RMM: 6 -0.340500144078E+03 0.26484E-03 -0.25337E-04 3901 0.418E-02 0.883E-02 RMM: 7 -0.340500210815E+03 -0.66737E-04 -0.12027E-04 3866 0.307E-02 0.138E-01 RMM: 8 -0.340500084769E+03 0.12605E-03 -0.54061E-05 3351 0.222E-02 0.386E-02 RMM: 9 -0.340500080225E+03 0.45445E-05 -0.13303E-05 2510 0.103E-02 6366 T= 6255. E= 0.68657775E+03 F= 0.63482794E+03 E0= 0.66399218E+03 EK= 0.51750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339998324149E+03 0.50176E+00 -0.15998E-01 7704 0.232E+01 0.344E-01 RMM: 2 -0.340010030401E+03 -0.11706E-01 -0.84138E-02 5122 0.667E-01 0.945E-01 RMM: 3 -0.340003884156E+03 0.61462E-02 -0.86863E-03 5451 0.196E-01 0.257E-01 RMM: 4 -0.340004541703E+03 -0.65755E-03 -0.18835E-03 4863 0.105E-01 0.425E-01 RMM: 5 -0.340003431624E+03 0.11101E-02 -0.75675E-04 4583 0.732E-02 0.160E-01 RMM: 6 -0.340003299257E+03 0.13237E-03 -0.20731E-04 3887 0.373E-02 0.860E-02 RMM: 7 -0.340003340698E+03 -0.41441E-04 -0.75599E-05 3551 0.246E-02 0.123E-01 RMM: 8 -0.340003239897E+03 0.10080E-03 -0.43165E-05 3198 0.202E-02 0.304E-02 RMM: 9 -0.340003239684E+03 0.21362E-06 -0.13117E-05 2494 0.102E-02 6367 T= 6152. E= 0.68588369E+03 F= 0.63499402E+03 E0= 0.66414347E+03 EK= 0.50890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339969789698E+03 0.33450E-01 -0.15844E-01 7860 0.231E+01 0.361E-01 RMM: 2 -0.339987515076E+03 -0.17725E-01 -0.88672E-02 5162 0.691E-01 0.132E+00 RMM: 3 -0.339975426359E+03 0.12089E-01 -0.10118E-02 5377 0.223E-01 0.235E-01 RMM: 4 -0.339975997636E+03 -0.57128E-03 -0.20785E-03 4945 0.109E-01 0.394E-01 RMM: 5 -0.339975130784E+03 0.86685E-03 -0.73325E-04 4608 0.729E-02 0.192E-01 RMM: 6 -0.339974913858E+03 0.21693E-03 -0.22379E-04 3899 0.383E-02 0.862E-02 RMM: 7 -0.339974954584E+03 -0.40726E-04 -0.11243E-04 3827 0.297E-02 0.122E-01 RMM: 8 -0.339974857069E+03 0.97515E-04 -0.50461E-05 3313 0.214E-02 0.339E-02 RMM: 9 -0.339974854139E+03 0.29295E-05 -0.11422E-05 2492 0.960E-03 6368 T= 6184. E= 0.68584707E+03 F= 0.63469089E+03 E0= 0.66382445E+03 EK= 0.51156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340398438385E+03 -0.42358E+00 -0.16830E-01 7896 0.233E+01 0.323E-01 RMM: 2 -0.340413807195E+03 -0.15369E-01 -0.10445E-01 5128 0.728E-01 0.105E+00 RMM: 3 -0.340405910214E+03 0.78970E-02 -0.10297E-02 5539 0.203E-01 0.217E-01 RMM: 4 -0.340406364571E+03 -0.45436E-03 -0.17239E-03 4840 0.102E-01 0.381E-01 RMM: 5 -0.340405476545E+03 0.88803E-03 -0.76551E-04 4608 0.750E-02 0.147E-01 RMM: 6 -0.340405425724E+03 0.50821E-04 -0.21713E-04 3888 0.376E-02 0.122E-01 RMM: 7 -0.340405396206E+03 0.29518E-04 -0.84686E-05 3655 0.278E-02 0.110E-01 RMM: 8 -0.340405314925E+03 0.81280E-04 -0.37666E-05 3120 0.185E-02 0.281E-02 RMM: 9 -0.340405320371E+03 -0.54454E-05 -0.13646E-05 2506 0.103E-02 6369 T= 6341. E= 0.68638423E+03 F= 0.63393018E+03 E0= 0.66304714E+03 EK= 0.52454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341221980301E+03 -0.81667E+00 -0.16869E-01 8172 0.237E+01 0.314E-01 RMM: 2 -0.341237732819E+03 -0.15753E-01 -0.93500E-02 5244 0.708E-01 0.116E+00 RMM: 3 -0.341228522656E+03 0.92102E-02 -0.92538E-03 5475 0.204E-01 0.204E-01 RMM: 4 -0.341228827768E+03 -0.30511E-03 -0.15215E-03 4698 0.953E-02 0.333E-01 RMM: 5 -0.341228198843E+03 0.62893E-03 -0.66220E-04 4597 0.697E-02 0.166E-01 RMM: 6 -0.341228115367E+03 0.83476E-04 -0.27119E-04 3884 0.423E-02 0.129E-01 RMM: 7 -0.341228095167E+03 0.20200E-04 -0.12146E-04 3853 0.331E-02 0.124E-01 RMM: 8 -0.341227994393E+03 0.10077E-03 -0.46679E-05 3260 0.203E-02 0.284E-02 RMM: 9 -0.341227998105E+03 -0.37127E-05 -0.14122E-05 2505 0.107E-02 6370 T= 6564. E= 0.68708212E+03 F= 0.63277967E+03 E0= 0.66187844E+03 EK= 0.54302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342314384687E+03 -0.10864E+01 -0.17920E-01 8184 0.241E+01 0.290E-01 RMM: 2 -0.342326406795E+03 -0.12022E-01 -0.90795E-02 5351 0.692E-01 0.896E-01 RMM: 3 -0.342320924984E+03 0.54818E-02 -0.78019E-03 5735 0.172E-01 0.203E-01 RMM: 4 -0.342321069364E+03 -0.14438E-03 -0.12491E-03 4626 0.900E-02 0.314E-01 RMM: 5 -0.342320444781E+03 0.62458E-03 -0.72459E-04 4606 0.745E-02 0.126E-01 RMM: 6 -0.342320557946E+03 -0.11317E-03 -0.29084E-04 3903 0.442E-02 0.183E-01 RMM: 7 -0.342320386233E+03 0.17171E-03 -0.11862E-04 3837 0.341E-02 0.100E-01 RMM: 8 -0.342320321454E+03 0.64778E-04 -0.32252E-05 3011 0.167E-02 0.304E-02 RMM: 9 -0.342320326243E+03 -0.47889E-05 -0.17803E-05 2519 0.121E-02 6371 T= 6761. E= 0.68729656E+03 F= 0.63136137E+03 E0= 0.66044148E+03 EK= 0.55935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343518844591E+03 -0.11985E+01 -0.18997E-01 8292 0.244E+01 0.283E-01 RMM: 2 -0.343531606664E+03 -0.12762E-01 -0.10218E-01 5278 0.734E-01 0.861E-01 RMM: 3 -0.343526447526E+03 0.51591E-02 -0.93154E-03 5706 0.188E-01 0.204E-01 RMM: 4 -0.343526545623E+03 -0.98097E-04 -0.12283E-03 4695 0.889E-02 0.306E-01 RMM: 5 -0.343525968672E+03 0.57695E-03 -0.68716E-04 4605 0.723E-02 0.136E-01 RMM: 6 -0.343526058299E+03 -0.89627E-04 -0.28642E-04 3900 0.435E-02 0.182E-01 RMM: 7 -0.343525899086E+03 0.15921E-03 -0.13543E-04 3865 0.359E-02 0.105E-01 RMM: 8 -0.343525827958E+03 0.71127E-04 -0.37979E-05 3121 0.181E-02 0.310E-02 RMM: 9 -0.343525831674E+03 -0.37160E-05 -0.17948E-05 2520 0.123E-02 6372 T= 6839. E= 0.68640957E+03 F= 0.62982938E+03 E0= 0.65889060E+03 EK= 0.56580E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344682258586E+03 -0.11564E+01 -0.18783E-01 8316 0.244E+01 0.300E-01 RMM: 2 -0.344694023825E+03 -0.11765E-01 -0.91450E-02 5329 0.699E-01 0.883E-01 RMM: 3 -0.344688663840E+03 0.53600E-02 -0.80414E-03 5783 0.176E-01 0.206E-01 RMM: 4 -0.344688903725E+03 -0.23988E-03 -0.12895E-03 4649 0.915E-02 0.338E-01 RMM: 5 -0.344688196880E+03 0.70685E-03 -0.75447E-04 4605 0.761E-02 0.138E-01 RMM: 6 -0.344688256771E+03 -0.59891E-04 -0.30060E-04 3906 0.448E-02 0.171E-01 RMM: 7 -0.344688130735E+03 0.12604E-03 -0.12879E-04 3855 0.354E-02 0.111E-01 RMM: 8 -0.344688049701E+03 0.81033E-04 -0.37694E-05 3109 0.182E-02 0.308E-02 RMM: 9 -0.344688054933E+03 -0.52317E-05 -0.18149E-05 2523 0.123E-02 6373 T= 6751. E= 0.68418884E+03 F= 0.62833650E+03 E0= 0.65738021E+03 EK= 0.55852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345681331296E+03 -0.99328E+00 -0.18732E-01 8208 0.241E+01 0.300E-01 RMM: 2 -0.345690820474E+03 -0.94892E-02 -0.86835E-02 5291 0.668E-01 0.704E-01 RMM: 3 -0.345687243657E+03 0.35768E-02 -0.75064E-03 5722 0.174E-01 0.222E-01 RMM: 4 -0.345687723554E+03 -0.47990E-03 -0.13932E-03 4700 0.961E-02 0.389E-01 RMM: 5 -0.345686760496E+03 0.96306E-03 -0.75351E-04 4608 0.743E-02 0.126E-01 RMM: 6 -0.345686808927E+03 -0.48431E-04 -0.28032E-04 3892 0.434E-02 0.157E-01 RMM: 7 -0.345686690833E+03 0.11809E-03 -0.11722E-04 3837 0.343E-02 0.946E-02 RMM: 8 -0.345686634011E+03 0.56822E-04 -0.24096E-05 2744 0.150E-02 0.301E-02 RMM: 9 -0.345686638950E+03 -0.49393E-05 -0.16640E-05 2508 0.116E-02 6374 T= 6525. E= 0.68097842E+03 F= 0.62699936E+03 E0= 0.65602774E+03 EK= 0.53979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346455414437E+03 -0.76878E+00 -0.17816E-01 8124 0.236E+01 0.320E-01 RMM: 2 -0.346463389362E+03 -0.79749E-02 -0.75023E-02 5382 0.613E-01 0.698E-01 RMM: 3 -0.346459932390E+03 0.34570E-02 -0.58982E-03 5677 0.160E-01 0.241E-01 RMM: 4 -0.346460679646E+03 -0.74726E-03 -0.15136E-03 4681 0.996E-02 0.441E-01 RMM: 5 -0.346459421629E+03 0.12580E-02 -0.78886E-04 4601 0.756E-02 0.115E-01 RMM: 6 -0.346459455789E+03 -0.34160E-04 -0.23338E-04 3883 0.393E-02 0.142E-01 RMM: 7 -0.346459362816E+03 0.92973E-04 -0.93573E-05 3739 0.305E-02 0.896E-02 RMM: 8 -0.346459310913E+03 0.51903E-04 -0.22228E-05 2651 0.145E-02 0.277E-02 RMM: 9 -0.346459316583E+03 -0.56702E-05 -0.16035E-05 2504 0.114E-02 6375 T= 6244. E= 0.67753223E+03 F= 0.62587765E+03 E0= 0.65489342E+03 EK= 0.51655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346991401985E+03 -0.53209E+00 -0.16859E-01 7932 0.231E+01 0.329E-01 RMM: 2 -0.346997468282E+03 -0.60663E-02 -0.68249E-02 5377 0.582E-01 0.562E-01 RMM: 3 -0.346995338815E+03 0.21295E-02 -0.54535E-03 5605 0.155E-01 0.280E-01 RMM: 4 -0.346995977021E+03 -0.63821E-03 -0.13892E-03 4666 0.962E-02 0.445E-01 RMM: 5 -0.346994680663E+03 0.12964E-02 -0.72537E-04 4594 0.716E-02 0.109E-01 RMM: 6 -0.346994710495E+03 -0.29832E-04 -0.21843E-04 3884 0.380E-02 0.135E-01 RMM: 7 -0.346994607390E+03 0.10310E-03 -0.85921E-05 3647 0.294E-02 0.682E-02 RMM: 8 -0.346994579420E+03 0.27970E-04 -0.15680E-05 2544 0.122E-02 0.274E-02 RMM: 9 -0.346994584541E+03 -0.51202E-05 -0.14204E-05 2490 0.105E-02 6376 T= 6004. E= 0.67464932E+03 F= 0.62498261E+03 E0= 0.65398822E+03 EK= 0.49667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347305595307E+03 -0.31102E+00 -0.16467E-01 7884 0.228E+01 0.333E-01 RMM: 2 -0.347311007729E+03 -0.54124E-02 -0.60787E-02 5381 0.551E-01 0.582E-01 RMM: 3 -0.347308796183E+03 0.22115E-02 -0.48255E-03 5585 0.146E-01 0.281E-01 RMM: 4 -0.347309515945E+03 -0.71976E-03 -0.14729E-03 4661 0.991E-02 0.462E-01 RMM: 5 -0.347308132623E+03 0.13833E-02 -0.76541E-04 4587 0.738E-02 0.971E-02 RMM: 6 -0.347308189608E+03 -0.56984E-04 -0.19813E-04 3882 0.362E-02 0.141E-01 RMM: 7 -0.347308083246E+03 0.10636E-03 -0.78924E-05 3627 0.279E-02 0.759E-02 RMM: 8 -0.347308046520E+03 0.36726E-04 -0.18359E-05 2559 0.131E-02 0.260E-02 RMM: 9 -0.347308052067E+03 -0.55468E-05 -0.14987E-05 2492 0.109E-02 6377 T= 5875. E= 0.67290155E+03 F= 0.62430091E+03 E0= 0.65329794E+03 EK= 0.48601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347420074671E+03 -0.11203E+00 -0.16494E-01 7908 0.227E+01 0.330E-01 RMM: 2 -0.347425380020E+03 -0.53053E-02 -0.56501E-02 5286 0.543E-01 0.610E-01 RMM: 3 -0.347422980781E+03 0.23992E-02 -0.49716E-03 5513 0.148E-01 0.257E-01 RMM: 4 -0.347423740416E+03 -0.75964E-03 -0.14995E-03 4683 0.101E-01 0.452E-01 RMM: 5 -0.347422406776E+03 0.13336E-02 -0.75669E-04 4597 0.737E-02 0.110E-01 RMM: 6 -0.347422429931E+03 -0.23155E-04 -0.21768E-04 3890 0.379E-02 0.133E-01 RMM: 7 -0.347422338586E+03 0.91345E-04 -0.84457E-05 3699 0.295E-02 0.751E-02 RMM: 8 -0.347422302016E+03 0.36570E-04 -0.17261E-05 2553 0.128E-02 0.263E-02 RMM: 9 -0.347422306501E+03 -0.44845E-05 -0.14635E-05 2488 0.108E-02 6378 T= 5891. E= 0.67254944E+03 F= 0.62381437E+03 E0= 0.65280339E+03 EK= 0.48735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347350943505E+03 0.71359E-01 -0.16689E-01 8028 0.230E+01 0.313E-01 RMM: 2 -0.347356041853E+03 -0.50983E-02 -0.53037E-02 5294 0.530E-01 0.598E-01 RMM: 3 -0.347353706935E+03 0.23349E-02 -0.45934E-03 5527 0.142E-01 0.239E-01 RMM: 4 -0.347354397800E+03 -0.69087E-03 -0.14786E-03 4647 0.102E-01 0.433E-01 RMM: 5 -0.347353202616E+03 0.11952E-02 -0.74099E-04 4594 0.734E-02 0.106E-01 RMM: 6 -0.347353250272E+03 -0.47656E-04 -0.19948E-04 3885 0.365E-02 0.142E-01 RMM: 7 -0.347353140423E+03 0.10985E-03 -0.87948E-05 3752 0.297E-02 0.751E-02 RMM: 8 -0.347353104241E+03 0.36182E-04 -0.20106E-05 2603 0.139E-02 0.268E-02 RMM: 9 -0.347353108099E+03 -0.38582E-05 -0.14347E-05 2487 0.109E-02 6379 T= 6048. E= 0.67354903E+03 F= 0.62351236E+03 E0= 0.65249206E+03 EK= 0.50037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347098740536E+03 0.25436E+00 -0.17156E-01 8052 0.234E+01 0.305E-01 RMM: 2 -0.347105161769E+03 -0.64212E-02 -0.55550E-02 5277 0.552E-01 0.705E-01 RMM: 3 -0.347101811284E+03 0.33505E-02 -0.50765E-03 5508 0.148E-01 0.205E-01 RMM: 4 -0.347102485964E+03 -0.67468E-03 -0.15311E-03 4683 0.103E-01 0.410E-01 RMM: 5 -0.347101431479E+03 0.10545E-02 -0.77366E-04 4605 0.758E-02 0.126E-01 RMM: 6 -0.347101445943E+03 -0.14464E-04 -0.23708E-04 3891 0.397E-02 0.142E-01 RMM: 7 -0.347101352867E+03 0.93075E-04 -0.10517E-04 3838 0.331E-02 0.890E-02 RMM: 8 -0.347101300585E+03 0.52282E-04 -0.23966E-05 2719 0.153E-02 0.275E-02 RMM: 9 -0.347101304013E+03 -0.34279E-05 -0.15289E-05 2493 0.114E-02 6380 T= 6305. E= 0.67555503E+03 F= 0.62339835E+03 E0= 0.65236628E+03 EK= 0.52157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346658329808E+03 0.44297E+00 -0.17982E-01 7980 0.239E+01 0.287E-01 RMM: 2 -0.346664630788E+03 -0.63010E-02 -0.59659E-02 5226 0.573E-01 0.625E-01 RMM: 3 -0.346662009615E+03 0.26212E-02 -0.54614E-03 5588 0.150E-01 0.206E-01 RMM: 4 -0.346662501908E+03 -0.49229E-03 -0.14510E-03 4693 0.102E-01 0.382E-01 RMM: 5 -0.346661605264E+03 0.89664E-03 -0.75970E-04 4608 0.753E-02 0.124E-01 RMM: 6 -0.346661652132E+03 -0.46868E-04 -0.23076E-04 3886 0.395E-02 0.155E-01 RMM: 7 -0.346661519889E+03 0.13224E-03 -0.11259E-04 3843 0.338E-02 0.788E-02 RMM: 8 -0.346661480301E+03 0.39587E-04 -0.23783E-05 2739 0.152E-02 0.292E-02 RMM: 9 -0.346661481824E+03 -0.15230E-05 -0.16349E-05 2492 0.121E-02 6381 T= 6581. E= 0.67792587E+03 F= 0.62347996E+03 E0= 0.65243172E+03 EK= 0.54446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346030284015E+03 0.63120E+00 -0.18271E-01 8124 0.244E+01 0.287E-01 RMM: 2 -0.346037198265E+03 -0.69143E-02 -0.63925E-02 5207 0.594E-01 0.643E-01 RMM: 3 -0.346034371043E+03 0.28272E-02 -0.58927E-03 5630 0.153E-01 0.193E-01 RMM: 4 -0.346034843287E+03 -0.47224E-03 -0.14593E-03 4723 0.102E-01 0.373E-01 RMM: 5 -0.346033977258E+03 0.86603E-03 -0.75779E-04 4605 0.751E-02 0.115E-01 RMM: 6 -0.346034059830E+03 -0.82571E-04 -0.23764E-04 3889 0.401E-02 0.166E-01 RMM: 7 -0.346033904606E+03 0.15522E-03 -0.11251E-04 3846 0.341E-02 0.786E-02 RMM: 8 -0.346033865303E+03 0.39303E-04 -0.22820E-05 2678 0.147E-02 0.300E-02 RMM: 9 -0.346033867013E+03 -0.17102E-05 -0.16183E-05 2490 0.120E-02 6382 T= 6781. E= 0.67985238E+03 F= 0.62375655E+03 E0= 0.65268695E+03 EK= 0.56096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345236376008E+03 0.79749E+00 -0.18769E-01 8004 0.246E+01 0.292E-01 RMM: 2 -0.345243256631E+03 -0.68806E-02 -0.67614E-02 5165 0.604E-01 0.605E-01 RMM: 3 -0.345240726024E+03 0.25306E-02 -0.62376E-03 5621 0.158E-01 0.214E-01 RMM: 4 -0.345241232162E+03 -0.50614E-03 -0.14677E-03 4778 0.102E-01 0.388E-01 RMM: 5 -0.345240299393E+03 0.93277E-03 -0.73032E-04 4600 0.731E-02 0.124E-01 RMM: 6 -0.345240314240E+03 -0.14847E-04 -0.20921E-04 3886 0.375E-02 0.139E-01 RMM: 7 -0.345240222536E+03 0.91704E-04 -0.10268E-04 3838 0.320E-02 0.871E-02 RMM: 8 -0.345240173358E+03 0.49178E-04 -0.26953E-05 2882 0.162E-02 0.290E-02 RMM: 9 -0.345240175977E+03 -0.26187E-05 -0.15225E-05 2492 0.116E-02 6383 T= 6826. E= 0.68067130E+03 F= 0.62420378E+03 E0= 0.65310711E+03 EK= 0.56468E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344323784499E+03 0.91639E+00 -0.18484E-01 7896 0.246E+01 0.312E-01 RMM: 2 -0.344331895626E+03 -0.81111E-02 -0.74693E-02 5079 0.633E-01 0.686E-01 RMM: 3 -0.344328554678E+03 0.33409E-02 -0.71755E-03 5562 0.171E-01 0.208E-01 RMM: 4 -0.344329235533E+03 -0.68085E-03 -0.16079E-03 4895 0.105E-01 0.416E-01 RMM: 5 -0.344328130870E+03 0.11047E-02 -0.69271E-04 4590 0.701E-02 0.106E-01 RMM: 6 -0.344328168710E+03 -0.37841E-04 -0.19914E-04 3882 0.364E-02 0.136E-01 RMM: 7 -0.344328087342E+03 0.81369E-04 -0.84285E-05 3707 0.290E-02 0.890E-02 RMM: 8 -0.344328034399E+03 0.52943E-04 -0.27196E-05 2884 0.161E-02 0.278E-02 RMM: 9 -0.344328037663E+03 -0.32639E-05 -0.13785E-05 2487 0.108E-02 6384 T= 6702. E= 0.68021330E+03 F= 0.62477037E+03 E0= 0.65364190E+03 EK= 0.55443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343360683502E+03 0.96735E+00 -0.17757E-01 7848 0.243E+01 0.330E-01 RMM: 2 -0.343368645352E+03 -0.79619E-02 -0.78493E-02 5083 0.645E-01 0.658E-01 RMM: 3 -0.343365674175E+03 0.29712E-02 -0.75366E-03 5507 0.178E-01 0.256E-01 RMM: 4 -0.343366220804E+03 -0.54663E-03 -0.15447E-03 4884 0.102E-01 0.414E-01 RMM: 5 -0.343365110102E+03 0.11107E-02 -0.62513E-04 4554 0.657E-02 0.966E-02 RMM: 6 -0.343365138011E+03 -0.27909E-04 -0.16776E-04 3874 0.332E-02 0.122E-01 RMM: 7 -0.343365077725E+03 0.60287E-04 -0.70984E-05 3586 0.260E-02 0.880E-02 RMM: 8 -0.343365025262E+03 0.52463E-04 -0.27067E-05 2875 0.161E-02 0.254E-02 RMM: 9 -0.343365029439E+03 -0.41774E-05 -0.14399E-05 2485 0.109E-02 6385 T= 6467. E= 0.67888747E+03 F= 0.62538544E+03 E0= 0.65422154E+03 EK= 0.53502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342422905186E+03 0.94212E+00 -0.16554E-01 7860 0.239E+01 0.349E-01 RMM: 2 -0.342430819821E+03 -0.79146E-02 -0.74881E-02 5056 0.644E-01 0.715E-01 RMM: 3 -0.342427386458E+03 0.34334E-02 -0.74860E-03 5486 0.182E-01 0.248E-01 RMM: 4 -0.342428196145E+03 -0.80969E-03 -0.16502E-03 4909 0.104E-01 0.451E-01 RMM: 5 -0.342426847159E+03 0.13490E-02 -0.73493E-04 4596 0.719E-02 0.993E-02 RMM: 6 -0.342426858164E+03 -0.11005E-04 -0.17256E-04 3877 0.335E-02 6386 T= 6219. E= 0.67741889E+03 F= 0.62597159E+03 E0= 0.65477135E+03 EK= 0.51447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341575129784E+03 0.85172E+00 -0.15690E-01 7596 0.235E+01 0.477E-01 RMM: 2 -0.341607435421E+03 -0.32306E-01 -0.88048E-02 5108 0.716E-01 0.203E+00 RMM: 3 -0.341579466224E+03 0.27969E-01 -0.14899E-02 5342 0.299E-01 0.355E-01 RMM: 4 -0.341579914377E+03 -0.44815E-03 -0.30324E-03 5323 0.129E-01 0.451E-01 RMM: 5 -0.341578961075E+03 0.95330E-03 -0.10264E-03 4609 0.828E-02 0.282E-01 RMM: 6 -0.341578451491E+03 0.50958E-03 -0.42317E-04 4052 0.548E-02 0.956E-02 RMM: 7 -0.341578531587E+03 -0.80097E-04 -0.16104E-04 3884 0.342E-02 0.151E-01 RMM: 8 -0.341578378813E+03 0.15277E-03 -0.83997E-05 3648 0.280E-02 0.516E-02 RMM: 9 -0.341578367758E+03 0.11055E-04 -0.19454E-05 2594 0.131E-02 6387 T= 6047. E= 0.67648867E+03 F= 0.62646459E+03 E0= 0.65522544E+03 EK= 0.50024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340859830229E+03 0.71855E+00 -0.14879E-01 7716 0.234E+01 0.406E-01 RMM: 2 -0.340883761282E+03 -0.23931E-01 -0.71014E-02 5197 0.636E-01 0.172E+00 RMM: 3 -0.340863442432E+03 0.20319E-01 -0.11160E-02 5347 0.257E-01 0.324E-01 RMM: 4 -0.340863636342E+03 -0.19391E-03 -0.26603E-03 5251 0.122E-01 0.377E-01 RMM: 5 -0.340863039778E+03 0.59656E-03 -0.73169E-04 4609 0.733E-02 0.252E-01 RMM: 6 -0.340862606517E+03 0.43326E-03 -0.23399E-04 3895 0.413E-02 0.548E-02 RMM: 7 -0.340862646992E+03 -0.40475E-04 -0.87896E-05 3616 0.253E-02 0.994E-02 RMM: 8 -0.340862581424E+03 0.65568E-04 -0.38100E-05 3110 0.198E-02 0.335E-02 RMM: 9 -0.340862575060E+03 0.63640E-05 -0.80497E-06 2470 0.813E-03 6388 T= 6007. E= 0.67651510E+03 F= 0.62682398E+03 E0= 0.65554741E+03 EK= 0.49691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340288638569E+03 0.57394E+00 -0.15238E-01 7668 0.235E+01 0.398E-01 RMM: 2 -0.340306924111E+03 -0.18286E-01 -0.77479E-02 5171 0.670E-01 0.145E+00 RMM: 3 -0.340292859755E+03 0.14064E-01 -0.10421E-02 5371 0.239E-01 0.288E-01 RMM: 4 -0.340293353456E+03 -0.49370E-03 -0.22507E-03 5072 0.112E-01 0.408E-01 RMM: 5 -0.340292472169E+03 0.88129E-03 -0.78489E-04 4600 0.748E-02 0.224E-01 RMM: 6 -0.340292146096E+03 0.32607E-03 -0.23517E-04 3880 0.403E-02 0.743E-02 RMM: 7 -0.340292197270E+03 -0.51174E-04 -0.12230E-04 3872 0.312E-02 0.122E-01 RMM: 8 -0.340292095373E+03 0.10190E-03 -0.54504E-05 3365 0.225E-02 0.348E-02 RMM: 9 -0.340292093509E+03 0.18635E-05 -0.14859E-05 2514 0.112E-02 6389 T= 6111. E= 0.67759510E+03 F= 0.62704077E+03 E0= 0.65572719E+03 EK= 0.50554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339846806410E+03 0.44529E+00 -0.15571E-01 7728 0.238E+01 0.335E-01 RMM: 2 -0.339857248262E+03 -0.10442E-01 -0.69331E-02 5196 0.638E-01 0.977E-01 RMM: 3 -0.339850895995E+03 0.63523E-02 -0.74823E-03 5406 0.191E-01 0.223E-01 RMM: 4 -0.339851571930E+03 -0.67593E-03 -0.16080E-03 4756 0.989E-02 0.406E-01 RMM: 5 -0.339850555586E+03 0.10163E-02 -0.72044E-04 4608 0.723E-02 0.154E-01 RMM: 6 -0.339850445149E+03 0.11044E-03 -0.21988E-04 3889 0.384E-02 0.968E-02 RMM: 7 -0.339850467711E+03 -0.22562E-04 -0.83472E-05 3726 0.277E-02 0.119E-01 RMM: 8 -0.339850369951E+03 0.97760E-04 -0.37973E-05 3125 0.189E-02 0.277E-02 RMM: 9 -0.339850372519E+03 -0.25677E-05 -0.13866E-05 2504 0.107E-02 6390 T= 6329. E= 0.67949550E+03 F= 0.62713476E+03 E0= 0.65578568E+03 EK= 0.52361E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339491225468E+03 0.35914E+00 -0.16600E-01 7836 0.242E+01 0.317E-01 RMM: 2 -0.339504806351E+03 -0.13581E-01 -0.91976E-02 5013 0.727E-01 0.102E+00 RMM: 3 -0.339497684470E+03 0.71219E-02 -0.10082E-02 5483 0.208E-01 0.218E-01 RMM: 4 -0.339498151827E+03 -0.46736E-03 -0.17615E-03 4973 0.106E-01 0.371E-01 RMM: 5 -0.339497336459E+03 0.81537E-03 -0.71456E-04 4608 0.718E-02 0.158E-01 RMM: 6 -0.339497224479E+03 0.11198E-03 -0.20730E-04 3889 0.368E-02 0.103E-01 RMM: 7 -0.339497195603E+03 0.28876E-04 -0.97866E-05 3820 0.305E-02 0.920E-02 RMM: 8 -0.339497140286E+03 0.55317E-04 -0.30691E-05 3010 0.172E-02 0.293E-02 RMM: 9 -0.339497143568E+03 -0.32817E-05 -0.12104E-05 2491 0.999E-03 6391 T= 6590. E= 0.68166366E+03 F= 0.62714787E+03 E0= 0.65576440E+03 EK= 0.54516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339172421496E+03 0.32472E+00 -0.17257E-01 7812 0.246E+01 0.305E-01 RMM: 2 -0.339183593006E+03 -0.11172E-01 -0.91652E-02 5029 0.739E-01 0.830E-01 RMM: 3 -0.339179009234E+03 0.45838E-02 -0.98691E-03 5537 0.201E-01 0.214E-01 RMM: 4 -0.339179387172E+03 -0.37794E-03 -0.14017E-03 4848 0.948E-02 0.357E-01 RMM: 5 -0.339178605512E+03 0.78166E-03 -0.68855E-04 4608 0.711E-02 0.150E-01 RMM: 6 -0.339178539106E+03 0.66406E-04 -0.26344E-04 3906 0.418E-02 0.120E-01 RMM: 7 -0.339178502140E+03 0.36966E-04 -0.97763E-05 3823 0.312E-02 0.103E-01 RMM: 8 -0.339178429822E+03 0.72317E-04 -0.29348E-05 2946 0.167E-02 0.291E-02 RMM: 9 -0.339178432973E+03 -0.31504E-05 -0.15211E-05 2501 0.111E-02 6392 T= 6794. E= 0.68333831E+03 F= 0.62713345E+03 E0= 0.65571806E+03 EK= 0.56205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338837181992E+03 0.34125E+00 -0.17700E-01 7608 0.248E+01 0.301E-01 RMM: 2 -0.338849421478E+03 -0.12239E-01 -0.97417E-02 4959 0.757E-01 0.870E-01 RMM: 3 -0.338844312896E+03 0.51086E-02 -0.10574E-02 5567 0.207E-01 0.206E-01 RMM: 4 -0.338844630418E+03 -0.31752E-03 -0.15790E-03 4963 0.102E-01 0.342E-01 RMM: 5 -0.338843920636E+03 0.70978E-03 -0.70999E-04 4606 0.723E-02 0.145E-01 RMM: 6 -0.338843861828E+03 0.58808E-04 -0.20284E-04 3892 0.364E-02 0.119E-01 RMM: 7 -0.338843808044E+03 0.53784E-04 -0.10323E-04 3823 0.314E-02 0.915E-02 RMM: 8 -0.338843753469E+03 0.54575E-04 -0.30011E-05 3007 0.170E-02 0.281E-02 RMM: 9 -0.338843757796E+03 -0.43270E-05 -0.12749E-05 2500 0.101E-02 6393 T= 6855. E= 0.68384736E+03 F= 0.62713932E+03 E0= 0.65569480E+03 EK= 0.56708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338459569968E+03 0.38418E+00 -0.17319E-01 7740 0.246E+01 0.311E-01 RMM: 2 -0.338470310249E+03 -0.10740E-01 -0.92704E-02 4992 0.738E-01 0.786E-01 RMM: 3 -0.338466195434E+03 0.41148E-02 -0.99708E-03 5571 0.200E-01 0.221E-01 RMM: 4 -0.338466624452E+03 -0.42902E-03 -0.14933E-03 4881 0.982E-02 0.373E-01 RMM: 5 -0.338465758027E+03 0.86643E-03 -0.71992E-04 4602 0.725E-02 0.147E-01 RMM: 6 -0.338465693318E+03 0.64709E-04 -0.24172E-04 3899 0.404E-02 0.115E-01 RMM: 7 -0.338465668808E+03 0.24510E-04 -0.92654E-05 3808 0.299E-02 0.107E-01 RMM: 8 -0.338465590161E+03 0.78647E-04 -0.31508E-05 2997 0.173E-02 0.289E-02 RMM: 9 -0.338465592632E+03 -0.24714E-05 -0.14254E-05 2498 0.107E-02 6394 T= 6744. E= 0.68297745E+03 F= 0.62718928E+03 E0= 0.65572061E+03 EK= 0.55788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338043317526E+03 0.42227E+00 -0.17332E-01 7584 0.242E+01 0.317E-01 RMM: 2 -0.338053740824E+03 -0.10423E-01 -0.93847E-02 5009 0.731E-01 0.747E-01 RMM: 3 -0.338049869701E+03 0.38711E-02 -0.98166E-03 5551 0.198E-01 0.231E-01 RMM: 4 -0.338050419232E+03 -0.54953E-03 -0.16676E-03 4962 0.105E-01 0.396E-01 RMM: 5 -0.338049394015E+03 0.10252E-02 -0.70480E-04 4609 0.711E-02 0.129E-01 RMM: 6 -0.338049346812E+03 0.47202E-04 -0.17873E-04 3881 0.341E-02 0.108E-01 RMM: 7 -0.338049320152E+03 0.26660E-04 -0.84200E-05 3718 0.276E-02 0.974E-02 RMM: 8 -0.338049255479E+03 0.64672E-04 -0.32715E-05 3030 0.177E-02 0.265E-02 RMM: 9 -0.338049259858E+03 -0.43788E-05 -0.13264E-05 2496 0.102E-02 6395 T= 6508. E= 0.68111370E+03 F= 0.62727449E+03 E0= 0.65578794E+03 EK= 0.53839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337625638606E+03 0.42362E+00 -0.16760E-01 7716 0.237E+01 0.342E-01 RMM: 2 -0.337637225935E+03 -0.11587E-01 -0.92346E-02 4994 0.727E-01 0.888E-01 RMM: 3 -0.337631870501E+03 0.53554E-02 -0.10170E-02 5520 0.206E-01 0.235E-01 RMM: 4 -0.337632589891E+03 -0.71939E-03 -0.18198E-03 4994 0.107E-01 0.430E-01 RMM: 5 -0.337631435216E+03 0.11547E-02 -0.74859E-04 4604 0.728E-02 0.158E-01 RMM: 6 -0.337631312982E+03 0.12223E-03 -0.21839E-04 3899 0.383E-02 0.936E-02 RMM: 7 -0.337631334523E+03 -0.21541E-04 -0.88901E-05 3759 0.275E-02 0.117E-01 RMM: 8 -0.337631240129E+03 0.94394E-04 -0.40883E-05 3147 0.196E-02 0.281E-02 RMM: 9 -0.337631242504E+03 -0.23741E-05 -0.13036E-05 2501 0.101E-02 6396 T= 6243. E= 0.67900689E+03 F= 0.62735640E+03 E0= 0.65586026E+03 EK= 0.51650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337255976567E+03 0.37526E+00 -0.16069E-01 7668 0.232E+01 0.337E-01 RMM: 2 -0.337265645944E+03 -0.96694E-02 -0.86706E-02 5064 0.696E-01 0.766E-01 RMM: 3 -0.337261730076E+03 0.39159E-02 -0.91246E-03 5502 0.195E-01 0.261E-01 RMM: 4 -0.337262423151E+03 -0.69308E-03 -0.17502E-03 4953 0.106E-01 0.430E-01 RMM: 5 -0.337261201771E+03 0.12214E-02 -0.73028E-04 4598 0.720E-02 0.145E-01 RMM: 6 -0.337261106860E+03 0.94911E-04 -0.19829E-04 3896 0.363E-02 0.948E-02 RMM: 7 -0.337261117729E+03 -0.10870E-04 -0.83295E-05 3683 0.268E-02 6397 T= 6045. E= 0.67739528E+03 F= 0.62738560E+03 E0= 0.65588882E+03 EK= 0.50010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336977185080E+03 0.28392E+00 -0.16021E-01 7632 0.230E+01 0.371E-01 RMM: 2 -0.336987781643E+03 -0.10597E-01 -0.89590E-02 5019 0.724E-01 0.868E-01 RMM: 3 -0.336982919695E+03 0.48619E-02 -0.10129E-02 5515 0.212E-01 0.274E-01 RMM: 4 -0.336983695322E+03 -0.77563E-03 -0.19516E-03 5046 0.110E-01 0.466E-01 RMM: 5 -0.336982280093E+03 0.14152E-02 -0.89006E-04 4609 0.797E-02 0.140E-01 RMM: 6 -0.336982259744E+03 0.20349E-04 -0.22304E-04 3894 0.382E-02 0.135E-01 RMM: 7 -0.336982180095E+03 0.79649E-04 -0.10469E-04 3858 0.308E-02 0.968E-02 RMM: 8 -0.336982116853E+03 0.63242E-04 -0.42085E-05 3194 0.193E-02 0.304E-02 RMM: 9 -0.336982126917E+03 -0.10065E-04 -0.19625E-05 2547 0.127E-02 6398 T= 5976. E= 0.67675921E+03 F= 0.62732112E+03 E0= 0.65583434E+03 EK= 0.49438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336811471329E+03 0.17065E+00 -0.16285E-01 7680 0.230E+01 0.291E-01 RMM: 2 -0.336822103681E+03 -0.10632E-01 -0.93275E-02 4985 0.729E-01 0.747E-01 RMM: 3 -0.336818258917E+03 0.38448E-02 -0.10041E-02 5676 0.198E-01 0.205E-01 RMM: 4 -0.336818673484E+03 -0.41457E-03 -0.13429E-03 4875 0.927E-02 0.359E-01 RMM: 5 -0.336817856780E+03 0.81670E-03 -0.60731E-04 4592 0.669E-02 0.136E-01 RMM: 6 -0.336817778682E+03 0.78098E-04 -0.21160E-04 3891 0.382E-02 0.912E-02 RMM: 7 -0.336817763402E+03 0.15280E-04 -0.61763E-05 3450 0.250E-02 6399 T= 6057. E= 0.67724946E+03 F= 0.62714306E+03 E0= 0.65567543E+03 EK= 0.50106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336757689607E+03 0.60089E-01 -0.16216E-01 7860 0.233E+01 0.338E-01 RMM: 2 -0.336766624137E+03 -0.89345E-02 -0.92834E-02 5078 0.715E-01 0.623E-01 RMM: 3 -0.336764147566E+03 0.24766E-02 -0.95943E-03 5659 0.192E-01 0.265E-01 RMM: 4 -0.336764815806E+03 -0.66824E-03 -0.16495E-03 4890 0.105E-01 0.453E-01 RMM: 5 -0.336763423939E+03 0.13919E-02 -0.87765E-04 4601 0.785E-02 0.105E-01 RMM: 6 -0.336763566889E+03 -0.14295E-03 -0.25304E-04 3891 0.410E-02 0.183E-01 RMM: 7 -0.336763360409E+03 0.20648E-03 -0.12455E-04 3860 0.349E-02 0.806E-02 RMM: 8 -0.336763320536E+03 0.39873E-04 -0.34322E-05 3046 0.173E-02 0.362E-02 RMM: 9 -0.336763327897E+03 -0.73615E-05 -0.21464E-05 2544 0.135E-02 6400 T= 6264. E= 0.67868361E+03 F= 0.62685960E+03 E0= 0.65542206E+03 EK= 0.51824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336776281304E+03 -0.12961E-01 -0.17771E-01 7620 0.238E+01 0.260E-01 RMM: 2 -0.336788858762E+03 -0.12577E-01 -0.10856E-01 4887 0.801E-01 0.765E-01 RMM: 3 -0.336784964996E+03 0.38938E-02 -0.12366E-02 5835 0.213E-01 0.196E-01 RMM: 4 -0.336784873524E+03 0.91472E-04 -0.10692E-03 4796 0.832E-02 0.254E-01 RMM: 5 -0.336784490827E+03 0.38270E-03 -0.57902E-04 4603 0.670E-02 0.140E-01 RMM: 6 -0.336784461690E+03 0.29137E-04 -0.26173E-04 3900 0.426E-02 0.126E-01 RMM: 7 -0.336784408115E+03 0.53575E-04 -0.89796E-05 3669 0.298E-02 0.963E-02 RMM: 8 -0.336784347015E+03 0.61100E-04 -0.23060E-05 2755 0.150E-02 0.269E-02 RMM: 9 -0.336784345418E+03 0.15973E-05 -0.94493E-06 2465 0.885E-03 6401 T= 6533. E= 0.68055085E+03 F= 0.62650733E+03 E0= 0.65510587E+03 EK= 0.54044E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336813838186E+03 -0.29491E-01 -0.18808E-01 7980 0.243E+01 0.281E-01 RMM: 2 -0.336822336629E+03 -0.84984E-02 -0.92936E-02 5134 0.716E-01 0.469E-01 RMM: 3 -0.336820905834E+03 0.14308E-02 -0.89494E-03 5898 0.176E-01 0.221E-01 RMM: 4 -0.336821156646E+03 -0.25081E-03 -0.12378E-03 4774 0.948E-02 0.359E-01 RMM: 5 -0.336820302005E+03 0.85464E-03 -0.67039E-04 4591 0.690E-02 0.977E-02 RMM: 6 -0.336820465977E+03 -0.16397E-03 -0.26051E-04 3896 0.426E-02 0.188E-01 RMM: 7 -0.336820242358E+03 0.22362E-03 -0.11768E-04 3829 0.341E-02 0.657E-02 RMM: 8 -0.336820216663E+03 0.25695E-04 -0.22837E-05 2690 0.143E-02 0.347E-02 RMM: 9 -0.336820216773E+03 -0.10989E-06 -0.19624E-05 2511 0.131E-02 6402 T= 6763. E= 0.68209351E+03 F= 0.62614675E+03 E0= 0.65478680E+03 EK= 0.55947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336791210343E+03 0.29006E-01 -0.20128E-01 7764 0.247E+01 0.267E-01 RMM: 2 -0.336804224122E+03 -0.13014E-01 -0.11448E-01 4938 0.813E-01 0.747E-01 RMM: 3 -0.336800479683E+03 0.37444E-02 -0.12608E-02 5882 0.211E-01 0.205E-01 RMM: 4 -0.336800372628E+03 0.10706E-03 -0.11450E-03 4882 0.886E-02 0.268E-01 RMM: 5 -0.336799923459E+03 0.44917E-03 -0.73471E-04 4605 0.759E-02 0.131E-01 RMM: 6 -0.336799992481E+03 -0.69022E-04 -0.29005E-04 3905 0.445E-02 0.167E-01 RMM: 7 -0.336799851031E+03 0.14145E-03 -0.12439E-04 3845 0.352E-02 0.935E-02 RMM: 8 -0.336799794306E+03 0.56725E-04 -0.26875E-05 2869 0.159E-02 0.318E-02 RMM: 9 -0.336799795173E+03 -0.86681E-06 -0.15034E-05 2490 0.113E-02 6403 T= 6857. E= 0.68257586E+03 F= 0.62584680E+03 E0= 0.65452837E+03 EK= 0.56729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336656719713E+03 0.14307E+00 -0.19958E-01 7932 0.248E+01 0.285E-01 RMM: 2 -0.336665913896E+03 -0.91942E-02 -0.89520E-02 5065 0.705E-01 0.605E-01 RMM: 3 -0.336663333028E+03 0.25809E-02 -0.85889E-03 5674 0.186E-01 0.222E-01 RMM: 4 -0.336663662163E+03 -0.32913E-03 -0.13192E-03 4884 0.956E-02 0.350E-01 RMM: 5 -0.336662848978E+03 0.81319E-03 -0.70765E-04 4598 0.717E-02 0.120E-01 RMM: 6 -0.336662881067E+03 -0.32089E-04 -0.26326E-04 3902 0.424E-02 0.144E-01 RMM: 7 -0.336662784559E+03 0.96508E-04 -0.11033E-04 3823 0.332E-02 0.911E-02 RMM: 8 -0.336662731508E+03 0.53051E-04 -0.23585E-05 2729 0.151E-02 0.307E-02 RMM: 9 -0.336662734157E+03 -0.26491E-05 -0.15063E-05 2493 0.112E-02 6404 T= 6771. E= 0.68167664E+03 F= 0.62566429E+03 E0= 0.65438440E+03 EK= 0.56012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336369858222E+03 0.29287E+00 -0.19614E-01 7908 0.245E+01 0.288E-01 RMM: 2 -0.336378461985E+03 -0.86038E-02 -0.83753E-02 5121 0.677E-01 0.607E-01 RMM: 3 -0.336375772119E+03 0.26899E-02 -0.75152E-03 5669 0.176E-01 0.214E-01 RMM: 4 -0.336376221055E+03 -0.44894E-03 -0.13806E-03 4880 0.980E-02 0.371E-01 RMM: 5 -0.336375337547E+03 0.88351E-03 -0.68131E-04 4593 0.706E-02 0.118E-01 RMM: 6 -0.336375347988E+03 -0.10441E-04 -0.20274E-04 3902 0.370E-02 0.129E-01 RMM: 7 -0.336375281210E+03 0.66778E-04 -0.92082E-05 3761 0.300E-02 0.944E-02 RMM: 8 -0.336375221954E+03 0.59256E-04 -0.29873E-05 2980 0.169E-02 0.276E-02 RMM: 9 -0.336375225355E+03 -0.34008E-05 -0.12432E-05 2485 0.102E-02 6405 T= 6537. E= 0.67970492E+03 F= 0.62562949E+03 E0= 0.65438243E+03 EK= 0.54075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335932644151E+03 0.44258E+00 -0.19290E-01 8004 0.241E+01 0.321E-01 RMM: 2 -0.335941962819E+03 -0.93187E-02 -0.83416E-02 5107 0.673E-01 0.728E-01 RMM: 3 -0.335938169233E+03 0.37936E-02 -0.76796E-03 5499 0.186E-01 0.235E-01 RMM: 4 -0.335938858644E+03 -0.68941E-03 -0.15691E-03 4925 0.102E-01 0.414E-01 RMM: 5 -0.335937739087E+03 0.11196E-02 -0.71069E-04 4606 0.718E-02 0.137E-01 RMM: 6 -0.335937670906E+03 0.68181E-04 -0.21306E-04 3898 0.379E-02 0.103E-01 RMM: 7 -0.335937673299E+03 -0.23934E-05 -0.84619E-05 3682 0.280E-02 6406 T= 6247. E= 0.67742247E+03 F= 0.62573981E+03 E0= 0.65451817E+03 EK= 0.51683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335369302276E+03 0.56837E+00 -0.18488E-01 8016 0.237E+01 0.361E-01 RMM: 2 -0.335377403791E+03 -0.81015E-02 -0.82223E-02 5152 0.671E-01 0.672E-01 RMM: 3 -0.335374486592E+03 0.29172E-02 -0.79712E-03 5495 0.188E-01 0.294E-01 RMM: 4 -0.335375346242E+03 -0.85965E-03 -0.16938E-03 4923 0.103E-01 0.489E-01 RMM: 5 -0.335373767616E+03 0.15786E-02 -0.91429E-04 4605 0.813E-02 0.121E-01 RMM: 6 -0.335373789503E+03 -0.21887E-04 -0.22542E-04 3902 0.387E-02 0.141E-01 RMM: 7 -0.335373723767E+03 0.65736E-04 -0.10240E-04 3795 0.308E-02 0.111E-01 RMM: 8 -0.335373641957E+03 0.81810E-04 -0.44408E-05 3214 0.199E-02 0.332E-02 RMM: 9 -0.335373651320E+03 -0.93634E-05 -0.20082E-05 2551 0.129E-02 6407 T= 6005. E= 0.67564951E+03 F= 0.62597172E+03 E0= 0.65476917E+03 EK= 0.49678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334707266063E+03 0.66638E+00 -0.18736E-01 7896 0.234E+01 0.301E-01 RMM: 2 -0.334717984392E+03 -0.10718E-01 -0.92599E-02 4989 0.718E-01 0.764E-01 RMM: 3 -0.334713840567E+03 0.41438E-02 -0.95238E-03 5578 0.198E-01 0.210E-01 RMM: 4 -0.334714434302E+03 -0.59373E-03 -0.14501E-03 4892 0.954E-02 0.388E-01 RMM: 5 -0.334713484158E+03 0.95014E-03 -0.59698E-04 4597 0.660E-02 0.136E-01 RMM: 6 -0.334713384577E+03 0.99581E-04 -0.15864E-04 3885 0.332E-02 0.707E-02 RMM: 7 -0.334713414794E+03 -0.30217E-04 -0.57474E-05 3387 0.223E-02 0.100E-01 RMM: 8 -0.334713344258E+03 0.70536E-04 -0.27634E-05 2873 0.171E-02 0.201E-02 RMM: 9 -0.334713345203E+03 -0.94482E-06 -0.74960E-06 2464 0.774E-03 6408 T= 5884. E= 0.67497291E+03 F= 0.62629752E+03 E0= 0.65510766E+03 EK= 0.48675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333976829108E+03 0.73652E+00 -0.17602E-01 7740 0.233E+01 0.334E-01 RMM: 2 -0.333984964819E+03 -0.81357E-02 -0.77281E-02 5154 0.645E-01 0.696E-01 RMM: 3 -0.333981699695E+03 0.32651E-02 -0.75149E-03 5582 0.179E-01 0.251E-01 RMM: 4 -0.333982399775E+03 -0.70008E-03 -0.15896E-03 4846 0.101E-01 0.436E-01 RMM: 5 -0.333981145888E+03 0.12539E-02 -0.78527E-04 4602 0.753E-02 0.122E-01 RMM: 6 -0.333981132054E+03 0.13834E-04 -0.19003E-04 3897 0.355E-02 6409 T= 5918. E= 0.67565589E+03 F= 0.62669699E+03 E0= 0.65551641E+03 EK= 0.48959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333185666827E+03 0.79548E+00 -0.17626E-01 7704 0.236E+01 0.452E-01 RMM: 2 -0.333218410269E+03 -0.32743E-01 -0.84338E-02 5250 0.712E-01 0.205E+00 RMM: 3 -0.333190088281E+03 0.28322E-01 -0.15076E-02 5344 0.306E-01 0.362E-01 RMM: 4 -0.333189620662E+03 0.46762E-03 -0.22262E-03 4957 0.105E-01 0.286E-01 RMM: 5 -0.333189588501E+03 0.32161E-04 -0.10014E-03 4610 0.836E-02 0.308E-01 RMM: 6 -0.333189003065E+03 0.58544E-03 -0.50240E-04 4398 0.603E-02 0.114E-01 RMM: 7 -0.333189071869E+03 -0.68804E-04 -0.20743E-04 3911 0.388E-02 0.159E-01 RMM: 8 -0.333188910030E+03 0.16184E-03 -0.11103E-04 3831 0.329E-02 0.585E-02 RMM: 9 -0.333188894193E+03 0.15838E-04 -0.23385E-05 2758 0.147E-02 6410 T= 6101. E= 0.67763786E+03 F= 0.62716282E+03 E0= 0.65598461E+03 EK= 0.50475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332333214284E+03 0.85570E+00 -0.17802E-01 7800 0.240E+01 0.367E-01 RMM: 2 -0.332360011502E+03 -0.26797E-01 -0.76446E-02 5254 0.643E-01 0.179E+00 RMM: 3 -0.332338009397E+03 0.22002E-01 -0.11778E-02 5355 0.263E-01 0.341E-01 RMM: 4 -0.332337473791E+03 0.53561E-03 -0.20117E-03 4863 0.102E-01 0.241E-01 RMM: 5 -0.332337470188E+03 0.36025E-05 -0.61223E-04 4603 0.681E-02 0.253E-01 RMM: 6 -0.332337029140E+03 0.44105E-03 -0.24152E-04 3899 0.421E-02 0.584E-02 RMM: 7 -0.332337088476E+03 -0.59336E-04 -0.11115E-04 3801 0.287E-02 0.114E-01 RMM: 8 -0.332337003332E+03 0.85144E-04 -0.46862E-05 3238 0.214E-02 0.320E-02 RMM: 9 -0.332336997818E+03 0.55135E-05 -0.81302E-06 2478 0.837E-03 6411 T= 6385. E= 0.68052087E+03 F= 0.62769793E+03 E0= 0.65651929E+03 EK= 0.52823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331415448777E+03 0.92155E+00 -0.18257E-01 7920 0.245E+01 0.348E-01 RMM: 2 -0.331435272976E+03 -0.19824E-01 -0.81062E-02 5312 0.687E-01 0.146E+00 RMM: 3 -0.331420598728E+03 0.14674E-01 -0.10001E-02 5391 0.230E-01 0.263E-01 RMM: 4 -0.331420521167E+03 0.77561E-04 -0.15899E-03 4668 0.931E-02 0.277E-01 RMM: 5 -0.331420138627E+03 0.38254E-03 -0.74381E-04 4602 0.760E-02 0.187E-01 RMM: 6 -0.331419987155E+03 0.15147E-03 -0.25418E-04 3908 0.421E-02 0.120E-01 RMM: 7 -0.331419961387E+03 0.25769E-04 -0.13140E-04 3889 0.354E-02 0.114E-01 RMM: 8 -0.331419877350E+03 0.84037E-04 -0.42941E-05 3185 0.199E-02 0.352E-02 RMM: 9 -0.331419879771E+03 -0.24214E-05 -0.15407E-05 2516 0.114E-02 6412 T= 6680. E= 0.68357346E+03 F= 0.62830901E+03 E0= 0.65712484E+03 EK= 0.55264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330432209844E+03 0.98767E+00 -0.18737E-01 8004 0.249E+01 0.294E-01 RMM: 2 -0.330444967172E+03 -0.12757E-01 -0.85648E-02 5244 0.695E-01 0.101E+00 RMM: 3 -0.330438116287E+03 0.68509E-02 -0.89018E-03 5559 0.201E-01 0.200E-01 RMM: 4 -0.330438253049E+03 -0.13676E-03 -0.11301E-03 4639 0.806E-02 0.287E-01 RMM: 5 -0.330437818545E+03 0.43450E-03 -0.50887E-04 4564 0.616E-02 0.171E-01 RMM: 6 -0.330437679296E+03 0.13925E-03 -0.27193E-04 3901 0.430E-02 0.100E-01 RMM: 7 -0.330437679601E+03 -0.30475E-06 -0.91733E-05 3762 0.298E-02 6413 T= 6878. E= 0.68589050E+03 F= 0.62899465E+03 E0= 0.65779892E+03 EK= 0.56896E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329406422282E+03 0.10313E+01 -0.19155E-01 8196 0.251E+01 0.311E-01 RMM: 2 -0.329415338521E+03 -0.89162E-02 -0.87820E-02 5240 0.696E-01 0.660E-01 RMM: 3 -0.329412511154E+03 0.28274E-02 -0.85788E-03 5720 0.186E-01 0.230E-01 RMM: 4 -0.329413037388E+03 -0.52623E-03 -0.12400E-03 4678 0.887E-02 0.403E-01 RMM: 5 -0.329411933400E+03 0.11040E-02 -0.69159E-04 4591 0.705E-02 0.101E-01 RMM: 6 -0.329412088633E+03 -0.15523E-03 -0.29907E-04 3895 0.440E-02 0.188E-01 RMM: 7 -0.329411875908E+03 0.21272E-03 -0.13412E-04 3883 0.358E-02 0.748E-02 RMM: 8 -0.329411843411E+03 0.32498E-04 -0.25598E-05 2765 0.150E-02 0.382E-02 RMM: 9 -0.329411849243E+03 -0.58321E-05 -0.20982E-05 2553 0.131E-02 6414 T= 6896. E= 0.68677924E+03 F= 0.62973028E+03 E0= 0.65851731E+03 EK= 0.57049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328382746896E+03 0.10291E+01 -0.19623E-01 7920 0.248E+01 0.274E-01 RMM: 2 -0.328395830804E+03 -0.13084E-01 -0.10837E-01 5015 0.764E-01 0.833E-01 RMM: 3 -0.328391055219E+03 0.47756E-02 -0.11725E-02 5816 0.206E-01 0.180E-01 RMM: 4 -0.328391229733E+03 -0.17451E-03 -0.11508E-03 4756 0.838E-02 0.306E-01 RMM: 5 -0.328390680303E+03 0.54943E-03 -0.44583E-04 4480 0.570E-02 0.140E-01 RMM: 6 -0.328390577901E+03 0.10240E-03 -0.15905E-04 3886 0.332E-02 0.728E-02 RMM: 7 -0.328390609020E+03 -0.31119E-04 -0.55649E-05 3357 0.217E-02 0.103E-01 RMM: 8 -0.328390538505E+03 0.70515E-04 -0.27158E-05 2873 0.170E-02 0.235E-02 RMM: 9 -0.328390536944E+03 0.15613E-05 -0.74219E-06 2461 0.766E-03 6415 T= 6731. E= 0.68615154E+03 F= 0.63046396E+03 E0= 0.65922673E+03 EK= 0.55688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327432544684E+03 0.95799E+00 -0.18387E-01 7836 0.244E+01 0.327E-01 RMM: 2 -0.327442361813E+03 -0.98171E-02 -0.97847E-02 5121 0.731E-01 0.671E-01 RMM: 3 -0.327439451169E+03 0.29106E-02 -0.99894E-03 5801 0.195E-01 0.251E-01 RMM: 4 -0.327439961398E+03 -0.51023E-03 -0.14890E-03 4809 0.960E-02 0.415E-01 RMM: 5 -0.327438835935E+03 0.11255E-02 -0.69897E-04 4588 0.701E-02 0.125E-01 RMM: 6 -0.327438793536E+03 0.42399E-04 -0.16823E-04 3892 0.327E-02 0.107E-01 RMM: 7 -0.327438781091E+03 0.12445E-04 -0.82290E-05 3677 0.264E-02 6416 T= 6459. E= 0.68456255E+03 F= 0.63112753E+03 E0= 0.65986114E+03 EK= 0.53435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326614014420E+03 0.82478E+00 -0.17946E-01 7644 0.238E+01 0.343E-01 RMM: 2 -0.326625710254E+03 -0.11696E-01 -0.11096E-01 5034 0.781E-01 0.744E-01 RMM: 3 -0.326622016641E+03 0.36936E-02 -0.12382E-02 5703 0.221E-01 0.253E-01 RMM: 4 -0.326622654476E+03 -0.63783E-03 -0.15141E-03 4843 0.932E-02 0.437E-01 RMM: 5 -0.326621354859E+03 0.12996E-02 -0.70164E-04 4592 0.701E-02 0.101E-01 RMM: 6 -0.326621379045E+03 -0.24185E-04 -0.15442E-04 3879 0.311E-02 0.123E-01 RMM: 7 -0.326621324985E+03 0.54060E-04 -0.75228E-05 3608 0.248E-02 0.972E-02 RMM: 8 -0.326621262812E+03 0.62173E-04 -0.36634E-05 3075 0.184E-02 0.287E-02 RMM: 9 -0.326621271066E+03 -0.82536E-05 -0.15603E-05 2515 0.112E-02 6417 T= 6189. E= 0.68285862E+03 F= 0.63165484E+03 E0= 0.66035625E+03 EK= 0.51204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325979980873E+03 0.64128E+00 -0.16905E-01 7752 0.233E+01 0.290E-01 RMM: 2 -0.325990877814E+03 -0.10897E-01 -0.10213E-01 5024 0.737E-01 0.690E-01 RMM: 3 -0.325987644516E+03 0.32333E-02 -0.10927E-02 5861 0.193E-01 0.208E-01 RMM: 4 -0.325988033977E+03 -0.38946E-03 -0.13588E-03 4817 0.928E-02 0.369E-01 RMM: 5 -0.325987166377E+03 0.86760E-03 -0.56130E-04 4531 0.636E-02 0.117E-01 RMM: 6 -0.325987097226E+03 0.69150E-04 -0.11799E-04 3788 0.280E-02 0.693E-02 RMM: 7 -0.325987116113E+03 -0.18886E-04 -0.46951E-05 3204 0.204E-02 6418 T= 6016. E= 0.68176980E+03 F= 0.63199742E+03 E0= 0.66066431E+03 EK= 0.49772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325552140779E+03 0.43496E+00 -0.16404E-01 7740 0.231E+01 0.326E-01 RMM: 2 -0.325562566747E+03 -0.10426E-01 -0.10252E-01 5026 0.749E-01 0.675E-01 RMM: 3 -0.325559635738E+03 0.29310E-02 -0.11321E-02 5835 0.203E-01 0.249E-01 RMM: 4 -0.325560146171E+03 -0.51043E-03 -0.14433E-03 4813 0.940E-02 0.422E-01 RMM: 5 -0.325558964043E+03 0.11821E-02 -0.71659E-04 4602 0.712E-02 0.108E-01 RMM: 6 -0.325558983280E+03 -0.19237E-04 -0.16461E-04 3878 0.324E-02 6419 T= 5992. E= 0.68170689E+03 F= 0.63213496E+03 E0= 0.66076778E+03 EK= 0.49572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325323998340E+03 0.23497E+00 -0.16762E-01 7908 0.231E+01 0.386E-01 RMM: 2 -0.325352055228E+03 -0.28057E-01 -0.11141E-01 4939 0.794E-01 0.171E+00 RMM: 3 -0.325331910374E+03 0.20145E-01 -0.15595E-02 5392 0.291E-01 0.304E-01 RMM: 4 -0.325331644466E+03 0.26591E-03 -0.20662E-03 5028 0.978E-02 0.273E-01 RMM: 5 -0.325331419667E+03 0.22480E-03 -0.72889E-04 4603 0.722E-02 0.226E-01 RMM: 6 -0.325331115229E+03 0.30444E-03 -0.27645E-04 3888 0.435E-02 0.891E-02 RMM: 7 -0.325331190347E+03 -0.75118E-04 -0.14359E-04 3882 0.335E-02 0.143E-01 RMM: 8 -0.325331056426E+03 0.13392E-03 -0.71468E-05 3533 0.253E-02 0.431E-02 RMM: 9 -0.325331049796E+03 0.66303E-05 -0.15880E-05 2534 0.118E-02 6420 T= 6123. E= 0.68272645E+03 F= 0.63207638E+03 E0= 0.66067508E+03 EK= 0.50650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325267492649E+03 0.63564E-01 -0.16836E-01 7908 0.234E+01 0.346E-01 RMM: 2 -0.325291911367E+03 -0.24419E-01 -0.10748E-01 5039 0.774E-01 0.154E+00 RMM: 3 -0.325275311997E+03 0.16599E-01 -0.14534E-02 5388 0.282E-01 0.304E-01 RMM: 4 -0.325274898573E+03 0.41342E-03 -0.18848E-03 4981 0.956E-02 0.208E-01 RMM: 5 -0.325274710238E+03 0.18834E-03 -0.50247E-04 4538 0.602E-02 0.167E-01 RMM: 6 -0.325274555167E+03 0.15507E-03 -0.16310E-04 3880 0.337E-02 0.758E-02 RMM: 7 -0.325274619560E+03 -0.64393E-04 -0.94834E-05 3674 0.259E-02 0.128E-01 RMM: 8 -0.325274511498E+03 0.10806E-03 -0.51098E-05 3292 0.223E-02 0.270E-02 RMM: 9 -0.325274508577E+03 0.29212E-05 -0.81412E-06 2479 0.807E-03 6421 T= 6368. E= 0.68453125E+03 F= 0.63185299E+03 E0= 0.66041808E+03 EK= 0.52678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325336888454E+03 -0.62377E-01 -0.17136E-01 8388 0.238E+01 0.325E-01 RMM: 2 -0.325357276334E+03 -0.20388E-01 -0.98561E-02 5273 0.741E-01 0.139E+00 RMM: 3 -0.325343906232E+03 0.13370E-01 -0.10911E-02 5465 0.233E-01 0.259E-01 RMM: 4 -0.325343641509E+03 0.26472E-03 -0.14398E-03 4677 0.857E-02 0.224E-01 RMM: 5 -0.325343399566E+03 0.24194E-03 -0.62990E-04 4595 0.707E-02 0.168E-01 RMM: 6 -0.325343292152E+03 0.10741E-03 -0.21862E-04 3885 0.385E-02 0.116E-01 RMM: 7 -0.325343297405E+03 -0.52530E-05 -0.11940E-04 3879 0.324E-02 6422 T= 6646. E= 0.68648855E+03 F= 0.63151184E+03 E0= 0.66004394E+03 EK= 0.54977E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325479768299E+03 -0.13648E+00 -0.18465E-01 8220 0.242E+01 0.277E-01 RMM: 2 -0.325492597456E+03 -0.12829E-01 -0.11314E-01 5134 0.774E-01 0.736E-01 RMM: 3 -0.325488536505E+03 0.40610E-02 -0.11020E-02 5768 0.207E-01 0.214E-01 RMM: 4 -0.325488626448E+03 -0.89942E-04 -0.12132E-03 4813 0.881E-02 0.306E-01 RMM: 5 -0.325488009083E+03 0.61736E-03 -0.60466E-04 4600 0.663E-02 0.122E-01 RMM: 6 -0.325488124573E+03 -0.11549E-03 -0.27984E-04 3893 0.429E-02 0.182E-01 RMM: 7 -0.325487969406E+03 0.15517E-03 -0.13468E-04 3884 0.352E-02 0.112E-01 RMM: 8 -0.325487888823E+03 0.80584E-04 -0.47587E-05 3266 0.199E-02 0.358E-02 RMM: 9 -0.325487894849E+03 -0.60261E-05 -0.23690E-05 2599 0.140E-02 6423 T= 6850. E= 0.68776923E+03 F= 0.63110148E+03 E0= 0.65960275E+03 EK= 0.56668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325662178702E+03 -0.17429E+00 -0.18821E-01 8244 0.243E+01 0.246E-01 RMM: 2 -0.325677201912E+03 -0.15023E-01 -0.11031E-01 5077 0.775E-01 0.945E-01 RMM: 3 -0.325670912543E+03 0.62894E-02 -0.11129E-02 5811 0.212E-01 0.186E-01 RMM: 4 -0.325670756244E+03 0.15630E-03 -0.93972E-04 4696 0.738E-02 0.203E-01 RMM: 5 -0.325670514191E+03 0.24205E-03 -0.37254E-04 4446 0.541E-02 0.121E-01 RMM: 6 -0.325670477979E+03 0.36212E-04 -0.17789E-04 3885 0.355E-02 0.992E-02 RMM: 7 -0.325670481324E+03 -0.33443E-05 -0.60715E-05 3399 0.233E-02 6424 T= 6894. E= 0.68769183E+03 F= 0.63065718E+03 E0= 0.65912817E+03 EK= 0.57035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325869345456E+03 -0.19887E+00 -0.18609E-01 8376 0.242E+01 0.309E-01 RMM: 2 -0.325880954094E+03 -0.11609E-01 -0.10108E-01 5275 0.722E-01 0.772E-01 RMM: 3 -0.325876460661E+03 0.44934E-02 -0.90063E-03 5777 0.194E-01 0.239E-01 RMM: 4 -0.325876802718E+03 -0.34206E-03 -0.14104E-03 4791 0.945E-02 0.364E-01 RMM: 5 -0.325875902392E+03 0.90033E-03 -0.69487E-04 4607 0.705E-02 0.119E-01 RMM: 6 -0.325875957995E+03 -0.55603E-04 -0.23632E-04 3891 0.395E-02 0.154E-01 RMM: 7 -0.325875859287E+03 0.98708E-04 -0.11406E-04 3848 0.320E-02 0.105E-01 RMM: 8 -0.325875785938E+03 0.73349E-04 -0.41447E-05 3164 0.192E-02 0.320E-02 RMM: 9 -0.325875790886E+03 -0.49487E-05 -0.19132E-05 2541 0.126E-02 6425 T= 6760. E= 0.68611042E+03 F= 0.63019083E+03 E0= 0.65863648E+03 EK= 0.55920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326103954916E+03 -0.22817E+00 -0.18880E-01 7944 0.238E+01 0.254E-01 RMM: 2 -0.326117656882E+03 -0.13702E-01 -0.11429E-01 4932 0.785E-01 0.800E-01 RMM: 3 -0.326112888135E+03 0.47687E-02 -0.11866E-02 5989 0.212E-01 0.162E-01 RMM: 4 -0.326112988428E+03 -0.10029E-03 -0.10723E-03 4828 0.830E-02 0.276E-01 RMM: 5 -0.326112499408E+03 0.48902E-03 -0.40754E-04 4441 0.548E-02 0.109E-01 RMM: 6 -0.326112476417E+03 0.22991E-04 -0.16478E-04 3876 0.342E-02 0.966E-02 RMM: 7 -0.326112454006E+03 0.22411E-04 -0.52454E-05 3315 0.223E-02 0.842E-02 RMM: 8 -0.326112405619E+03 0.48386E-04 -0.20247E-05 2594 0.143E-02 0.196E-02 RMM: 9 -0.326112407264E+03 -0.16448E-05 -0.85900E-06 2460 0.829E-03 6426 T= 6506. E= 0.68350911E+03 F= 0.62969090E+03 E0= 0.65811480E+03 EK= 0.53818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326395396186E+03 -0.28299E+00 -0.17541E-01 8304 0.233E+01 0.293E-01 RMM: 2 -0.326405104131E+03 -0.97079E-02 -0.89280E-02 5368 0.666E-01 0.667E-01 RMM: 3 -0.326401437696E+03 0.36664E-02 -0.69828E-03 5846 0.171E-01 0.214E-01 RMM: 4 -0.326401902952E+03 -0.46526E-03 -0.13044E-03 4735 0.919E-02 0.369E-01 RMM: 5 -0.326401018776E+03 0.88418E-03 -0.59124E-04 4588 0.648E-02 0.118E-01 RMM: 6 -0.326400983013E+03 0.35763E-04 -0.14776E-04 3876 0.312E-02 0.998E-02 RMM: 7 -0.326400969669E+03 0.13344E-04 -0.70540E-05 3537 0.245E-02 6427 T= 6234. E= 0.68070544E+03 F= 0.62913512E+03 E0= 0.65754249E+03 EK= 0.51570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326751158375E+03 -0.35018E+00 -0.17166E-01 8064 0.230E+01 0.307E-01 RMM: 2 -0.326760464225E+03 -0.93059E-02 -0.88811E-02 5172 0.682E-01 0.653E-01 RMM: 3 -0.326757314461E+03 0.31498E-02 -0.82067E-03 5839 0.182E-01 0.226E-01 RMM: 4 -0.326757759867E+03 -0.44541E-03 -0.13276E-03 4768 0.914E-02 0.382E-01 RMM: 5 -0.326756760045E+03 0.99982E-03 -0.65190E-04 4586 0.680E-02 0.862E-02 RMM: 6 -0.326756851069E+03 -0.91024E-04 -0.17594E-04 3880 0.341E-02 0.149E-01 RMM: 7 -0.326756733144E+03 0.11792E-03 -0.73974E-05 3582 0.262E-02 0.830E-02 RMM: 8 -0.326756686626E+03 0.46518E-04 -0.29505E-05 2934 0.164E-02 0.258E-02 RMM: 9 -0.326756694320E+03 -0.76935E-05 -0.15536E-05 2508 0.113E-02 6428 T= 6037. E= 0.67845151E+03 F= 0.62850848E+03 E0= 0.65690526E+03 EK= 0.49943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327170248036E+03 -0.41356E+00 -0.16573E-01 8268 0.229E+01 0.257E-01 RMM: 2 -0.327178705635E+03 -0.84576E-02 -0.72687E-02 5333 0.621E-01 0.691E-01 RMM: 3 -0.327175196113E+03 0.35095E-02 -0.62140E-03 5788 0.160E-01 0.186E-01 RMM: 4 -0.327175411846E+03 -0.21573E-03 -0.95722E-04 4635 0.769E-02 0.291E-01 RMM: 5 -0.327174901444E+03 0.51040E-03 -0.42516E-04 4418 0.563E-02 0.130E-01 RMM: 6 -0.327174812169E+03 0.89275E-04 -0.14381E-04 3870 0.320E-02 0.693E-02 RMM: 7 -0.327174826118E+03 -0.13949E-04 -0.45029E-05 3213 0.202E-02 6429 T= 5971. E= 0.67721061E+03 F= 0.62781772E+03 E0= 0.65620971E+03 EK= 0.49393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327620007158E+03 -0.44519E+00 -0.16443E-01 8148 0.230E+01 0.287E-01 RMM: 2 -0.327626285382E+03 -0.62782E-02 -0.63974E-02 5399 0.576E-01 0.552E-01 RMM: 3 -0.327624082330E+03 0.22031E-02 -0.49769E-03 5729 0.144E-01 0.217E-01 RMM: 4 -0.327624507040E+03 -0.42471E-03 -0.10989E-03 4618 0.845E-02 0.366E-01 RMM: 5 -0.327623589546E+03 0.91749E-03 -0.62936E-04 4566 0.670E-02 0.863E-02 RMM: 6 -0.327623708339E+03 -0.11879E-03 -0.18774E-04 3880 0.353E-02 0.163E-01 RMM: 7 -0.327623553178E+03 0.15516E-03 -0.83816E-05 3691 0.288E-02 0.745E-02 RMM: 8 -0.327623516854E+03 0.36324E-04 -0.24982E-05 2806 0.150E-02 0.289E-02 RMM: 9 -0.327623522785E+03 -0.59312E-05 -0.15832E-05 2514 0.114E-02 6430 T= 6046. E= 0.67711476E+03 F= 0.62709763E+03 E0= 0.65549065E+03 EK= 0.50017E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328041751869E+03 -0.41824E+00 -0.17187E-01 8316 0.234E+01 0.219E-01 RMM: 2 -0.328049170304E+03 -0.74184E-02 -0.70080E-02 5185 0.623E-01 0.560E-01 RMM: 3 -0.328046921179E+03 0.22491E-02 -0.65227E-03 5886 0.155E-01 0.154E-01 RMM: 4 -0.328046962001E+03 -0.40822E-04 -0.69701E-04 4621 0.681E-02 0.237E-01 RMM: 5 -0.328046614764E+03 0.34724E-03 -0.39544E-04 4442 0.560E-02 0.107E-01 RMM: 6 -0.328046617777E+03 -0.30134E-05 -0.16567E-04 3876 0.341E-02 6431 T= 6235. E= 0.67798361E+03 F= 0.62640728E+03 E0= 0.65480670E+03 EK= 0.51576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328366829378E+03 -0.32021E+00 -0.17745E-01 8208 0.240E+01 0.333E-01 RMM: 2 -0.328385966042E+03 -0.19137E-01 -0.68171E-02 5352 0.628E-01 0.149E+00 RMM: 3 -0.328370994816E+03 0.14971E-01 -0.84591E-03 5370 0.220E-01 0.259E-01 RMM: 4 -0.328370843902E+03 0.15091E-03 -0.12972E-03 4628 0.825E-02 0.241E-01 RMM: 5 -0.328370558426E+03 0.28548E-03 -0.80296E-04 4607 0.805E-02 0.184E-01 RMM: 6 -0.328370430254E+03 0.12817E-03 -0.28128E-04 3898 0.436E-02 0.128E-01 RMM: 7 -0.328370408947E+03 0.21307E-04 -0.15035E-04 3871 0.378E-02 0.127E-01 RMM: 8 -0.328370302102E+03 0.10684E-03 -0.65453E-05 3472 0.243E-02 0.357E-02 RMM: 9 -0.328370308487E+03 -0.63848E-05 -0.20654E-05 2563 0.135E-02 6432 T= 6471. E= 0.67935264E+03 F= 0.62582232E+03 E0= 0.65423205E+03 EK= 0.53530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328518123044E+03 -0.14782E+00 -0.18292E-01 7632 0.245E+01 0.278E-01 RMM: 2 -0.328538001214E+03 -0.19878E-01 -0.66609E-02 5332 0.618E-01 0.148E+00 RMM: 3 -0.328522601809E+03 0.15399E-01 -0.81749E-03 5372 0.214E-01 0.212E-01 RMM: 4 -0.328522433370E+03 0.16844E-03 -0.10979E-03 4626 0.748E-02 0.183E-01 RMM: 5 -0.328522296932E+03 0.13644E-03 -0.38029E-04 4489 0.556E-02 0.149E-01 RMM: 6 -0.328522175979E+03 0.12095E-03 -0.15710E-04 3875 0.333E-02 0.789E-02 RMM: 7 -0.328522199315E+03 -0.23336E-04 -0.72932E-05 3544 0.245E-02 0.103E-01 RMM: 8 -0.328522126372E+03 0.72943E-04 -0.34399E-05 3042 0.187E-02 0.240E-02 RMM: 9 -0.328522124909E+03 0.14625E-05 -0.76340E-06 2465 0.767E-03 6433 T= 6667. E= 0.68056707E+03 F= 0.62541551E+03 E0= 0.65383872E+03 EK= 0.55152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328450212913E+03 0.71913E-01 -0.18864E-01 7680 0.248E+01 0.274E-01 RMM: 2 -0.328461153893E+03 -0.10941E-01 -0.68274E-02 5315 0.623E-01 0.962E-01 RMM: 3 -0.328454804947E+03 0.63489E-02 -0.65498E-03 5440 0.179E-01 0.209E-01 RMM: 4 -0.328454786220E+03 0.18727E-04 -0.97158E-04 4620 0.749E-02 0.234E-01 RMM: 5 -0.328454454626E+03 0.33159E-03 -0.52314E-04 4590 0.644E-02 0.138E-01 RMM: 6 -0.328454425292E+03 0.29334E-04 -0.20558E-04 3882 0.373E-02 0.126E-01 RMM: 7 -0.328454391561E+03 0.33731E-04 -0.10301E-04 3837 0.309E-02 0.112E-01 RMM: 8 -0.328454307645E+03 0.83916E-04 -0.44111E-05 3214 0.200E-02 0.309E-02 RMM: 9 -0.328454308687E+03 -0.10419E-05 -0.13426E-05 2499 0.106E-02 6434 T= 6744. E= 0.68102173E+03 F= 0.62523341E+03 E0= 0.65367193E+03 EK= 0.55788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328163147901E+03 0.29116E+00 -0.18545E-01 7692 0.248E+01 0.252E-01 RMM: 2 -0.328172293330E+03 -0.91454E-02 -0.68239E-02 5168 0.621E-01 0.779E-01 RMM: 3 -0.328168014249E+03 0.42791E-02 -0.67614E-03 5565 0.171E-01 0.187E-01 RMM: 4 -0.328168150755E+03 -0.13651E-03 -0.90164E-04 4630 0.748E-02 0.262E-01 RMM: 5 -0.328167695428E+03 0.45533E-03 -0.40381E-04 4455 0.553E-02 0.112E-01 RMM: 6 -0.328167690666E+03 0.47622E-05 -0.16008E-04 3876 0.327E-02 6435 T= 6671. E= 0.68046379E+03 F= 0.62527322E+03 E0= 0.65372693E+03 EK= 0.55191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327705631409E+03 0.46206E+00 -0.17923E-01 7584 0.245E+01 0.393E-01 RMM: 2 -0.327732608439E+03 -0.26977E-01 -0.80983E-02 5111 0.684E-01 0.179E+00 RMM: 3 -0.327710667710E+03 0.21941E-01 -0.13433E-02 5356 0.281E-01 0.308E-01 RMM: 4 -0.327710439314E+03 0.22840E-03 -0.18755E-03 4901 0.952E-02 0.273E-01 RMM: 5 -0.327710202361E+03 0.23695E-03 -0.59030E-04 4594 0.633E-02 0.231E-01 RMM: 6 -0.327709880905E+03 0.32146E-03 -0.28926E-04 3897 0.453E-02 0.958E-02 RMM: 7 -0.327709949625E+03 -0.68720E-04 -0.15063E-04 3876 0.334E-02 0.143E-01 RMM: 8 -0.327709808498E+03 0.14113E-03 -0.81541E-05 3600 0.273E-02 0.416E-02 RMM: 9 -0.327709804591E+03 0.39068E-05 -0.16946E-05 2551 0.121E-02 6436 T= 6485. E= 0.67913246E+03 F= 0.62548550E+03 E0= 0.65395355E+03 EK= 0.53647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327145121130E+03 0.56469E+00 -0.16955E-01 7668 0.240E+01 0.374E-01 RMM: 2 -0.327172627015E+03 -0.27506E-01 -0.75670E-02 5095 0.661E-01 0.181E+00 RMM: 3 -0.327149787524E+03 0.22839E-01 -0.12889E-02 5347 0.280E-01 0.339E-01 RMM: 4 -0.327149274189E+03 0.51333E-03 -0.19604E-03 5011 0.998E-02 0.230E-01 RMM: 5 -0.327149238780E+03 0.35409E-04 -0.44348E-04 4463 0.558E-02 0.229E-01 RMM: 6 -0.327148875303E+03 0.36348E-03 -0.17442E-04 3880 0.359E-02 0.500E-02 RMM: 7 -0.327148919129E+03 -0.43827E-04 -0.78231E-05 3537 0.237E-02 0.976E-02 RMM: 8 -0.327148854589E+03 0.64540E-04 -0.36692E-05 3058 0.196E-02 0.262E-02 RMM: 9 -0.327148852089E+03 0.24997E-05 -0.85034E-06 2471 0.845E-03 6437 T= 6262. E= 0.67760720E+03 F= 0.62580102E+03 E0= 0.65428233E+03 EK= 0.51806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326534095234E+03 0.61476E+00 -0.17201E-01 8100 0.236E+01 0.317E-01 RMM: 2 -0.326549084312E+03 -0.14989E-01 -0.80778E-02 5112 0.658E-01 0.117E+00 RMM: 3 -0.326539607177E+03 0.94771E-02 -0.92584E-03 5393 0.215E-01 0.242E-01 RMM: 4 -0.326539763270E+03 -0.15609E-03 -0.15243E-03 4790 0.917E-02 0.310E-01 RMM: 5 -0.326539207253E+03 0.55602E-03 -0.46897E-04 4452 0.568E-02 0.152E-01 RMM: 6 -0.326539082574E+03 0.12468E-03 -0.14739E-04 3880 0.322E-02 0.789E-02 RMM: 7 -0.326539118502E+03 -0.35927E-04 -0.95566E-05 3711 0.265E-02 0.114E-01 RMM: 8 -0.326539030107E+03 0.88394E-04 -0.52176E-05 3305 0.224E-02 0.304E-02 RMM: 9 -0.326539029864E+03 0.24327E-06 -0.11115E-05 2497 0.937E-03 6438 T= 6086. E= 0.67651018E+03 F= 0.62616593E+03 E0= 0.65465941E+03 EK= 0.50344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325890374936E+03 0.64866E+00 -0.17431E-01 8700 0.233E+01 0.257E-01 RMM: 2 -0.325900107152E+03 -0.97322E-02 -0.82427E-02 5102 0.638E-01 0.696E-01 RMM: 3 -0.325896385776E+03 0.37214E-02 -0.78251E-03 5495 0.185E-01 0.194E-01 RMM: 4 -0.325896673864E+03 -0.28809E-03 -0.10550E-03 4676 0.789E-02 0.305E-01 RMM: 5 -0.325896062896E+03 0.61097E-03 -0.37612E-04 4167 0.509E-02 0.107E-01 RMM: 6 -0.325896033430E+03 0.29467E-04 -0.12681E-04 3862 0.304E-02 0.909E-02 RMM: 7 -0.325896036878E+03 -0.34487E-05 -0.58798E-05 3403 0.219E-02 6439 T= 6010. E= 0.67628205E+03 F= 0.62656616E+03 E0= 0.65507078E+03 EK= 0.49716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325181932974E+03 0.71410E+00 -0.19237E-01 8628 0.233E+01 0.255E-01 RMM: 2 -0.325192828333E+03 -0.10895E-01 -0.10006E-01 5217 0.703E-01 0.624E-01 RMM: 3 -0.325189744812E+03 0.30835E-02 -0.88058E-03 5605 0.191E-01 0.207E-01 RMM: 4 -0.325189862296E+03 -0.11748E-03 -0.10170E-03 4705 0.780E-02 0.286E-01 RMM: 5 -0.325189331619E+03 0.53068E-03 -0.44893E-04 4439 0.565E-02 0.111E-01 RMM: 6 -0.325189356576E+03 -0.24958E-04 -0.17693E-04 3883 0.347E-02 0.129E-01 RMM: 7 -0.325189312610E+03 0.43966E-04 -0.83218E-05 3669 0.266E-02 0.109E-01 RMM: 8 -0.325189234486E+03 0.78124E-04 -0.38610E-05 3104 0.189E-02 0.307E-02 RMM: 9 -0.325189237730E+03 -0.32436E-05 -0.15899E-05 2514 0.114E-02 6440 T= 6052. E= 0.67710298E+03 F= 0.62703474E+03 E0= 0.65555113E+03 EK= 0.50068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324343886920E+03 0.84535E+00 -0.20330E-01 8976 0.235E+01 0.204E-01 RMM: 2 -0.324355305972E+03 -0.11419E-01 -0.10164E-01 5426 0.668E-01 0.624E-01 RMM: 3 -0.324351944174E+03 0.33618E-02 -0.69797E-03 5551 0.172E-01 0.168E-01 RMM: 4 -0.324351950529E+03 -0.63552E-05 -0.78184E-04 4644 0.674E-02 0.207E-01 RMM: 5 -0.324351677734E+03 0.27279E-03 -0.29180E-04 3974 0.465E-02 0.975E-02 RMM: 6 -0.324351684189E+03 -0.64547E-05 -0.12464E-04 3868 0.303E-02 6441 T= 6194. E= 0.67888478E+03 F= 0.62764099E+03 E0= 0.65616910E+03 EK= 0.51244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323287649709E+03 0.10640E+01 -0.22808E-01 9024 0.239E+01 0.351E-01 RMM: 2 -0.323315265164E+03 -0.27615E-01 -0.12657E-01 5367 0.765E-01 0.161E+00 RMM: 3 -0.323296974142E+03 0.18291E-01 -0.13382E-02 5363 0.270E-01 0.289E-01 RMM: 4 -0.323296558784E+03 0.41536E-03 -0.16088E-03 4767 0.833E-02 0.196E-01 RMM: 5 -0.323296475895E+03 0.82889E-04 -0.58999E-04 4595 0.660E-02 0.201E-01 RMM: 6 -0.323296278958E+03 0.19694E-03 -0.31394E-04 3934 0.469E-02 0.112E-01 RMM: 7 -0.323296391568E+03 -0.11261E-03 -0.18460E-04 3876 0.378E-02 0.173E-01 RMM: 8 -0.323296201270E+03 0.19030E-03 -0.10845E-04 3754 0.306E-02 0.549E-02 RMM: 9 -0.323296191907E+03 0.93623E-05 -0.22817E-05 2681 0.141E-02 6442 T= 6384. E= 0.68128943E+03 F= 0.62847369E+03 E0= 0.65701324E+03 EK= 0.52816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321930672408E+03 0.13655E+01 -0.25652E-01 9024 0.243E+01 0.309E-01 RMM: 2 -0.321959608337E+03 -0.28936E-01 -0.13851E-01 5413 0.780E-01 0.158E+00 RMM: 3 -0.321941595918E+03 0.18012E-01 -0.12681E-02 5360 0.260E-01 0.290E-01 RMM: 4 -0.321941098072E+03 0.49785E-03 -0.16440E-03 4779 0.848E-02 0.157E-01 RMM: 5 -0.321941053634E+03 0.44439E-04 -0.33903E-04 4117 0.493E-02 0.158E-01 RMM: 6 -0.321940898988E+03 0.15465E-03 -0.14619E-04 3881 0.329E-02 0.690E-02 RMM: 7 -0.321940975675E+03 -0.76687E-04 -0.10973E-04 3766 0.272E-02 0.130E-01 RMM: 8 -0.321940866237E+03 0.10944E-03 -0.60077E-05 3373 0.239E-02 0.322E-02 RMM: 9 -0.321940862980E+03 0.32568E-05 -0.11504E-05 2499 0.977E-03 6443 T= 6550. E= 0.68380412E+03 F= 0.62961518E+03 E0= 0.65816613E+03 EK= 0.54189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320227165791E+03 0.17137E+01 -0.28509E-01 8988 0.246E+01 0.286E-01 RMM: 2 -0.320251854336E+03 -0.24689E-01 -0.15499E-01 5422 0.821E-01 0.128E+00 RMM: 3 -0.320239494560E+03 0.12360E-01 -0.12158E-02 5449 0.238E-01 0.247E-01 RMM: 4 -0.320239188201E+03 0.30636E-03 -0.13771E-03 4761 0.804E-02 0.182E-01 RMM: 5 -0.320239036245E+03 0.15196E-03 -0.37224E-04 4289 0.512E-02 0.142E-01 RMM: 6 -0.320238962813E+03 0.73432E-04 -0.16208E-04 3892 0.337E-02 0.101E-01 RMM: 7 -0.320238999993E+03 -0.37180E-04 -0.11695E-04 3851 0.291E-02 0.127E-01 RMM: 8 -0.320238895066E+03 0.10493E-03 -0.60915E-05 3414 0.233E-02 0.360E-02 RMM: 9 -0.320238894169E+03 0.89690E-06 -0.13984E-05 2511 0.107E-02 6444 T= 6625. E= 0.68592209E+03 F= 0.63111170E+03 E0= 0.65967271E+03 EK= 0.54810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318204993031E+03 0.20339E+01 -0.31324E-01 8964 0.247E+01 0.258E-01 RMM: 2 -0.318224727410E+03 -0.19734E-01 -0.16523E-01 5467 0.843E-01 0.872E-01 RMM: 3 -0.318218305035E+03 0.64224E-02 -0.12132E-02 5653 0.222E-01 0.193E-01 RMM: 4 -0.318218293442E+03 0.11593E-04 -0.11783E-03 4746 0.791E-02 0.241E-01 RMM: 5 -0.318217943431E+03 0.35001E-03 -0.31660E-04 3924 0.452E-02 0.119E-01 RMM: 6 -0.318217890373E+03 0.53059E-04 -0.11877E-04 3835 0.298E-02 0.835E-02 RMM: 7 -0.318217944600E+03 -0.54227E-04 -0.94028E-05 3729 0.255E-02 0.126E-01 RMM: 8 -0.318217840870E+03 0.10373E-03 -0.52682E-05 3289 0.220E-02 0.281E-02 RMM: 9 -0.318217840442E+03 0.42792E-06 -0.13251E-05 2495 0.105E-02 6445 T= 6581. E= 0.68737766E+03 F= 0.63293452E+03 E0= 0.66150477E+03 EK= 0.54443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315998314266E+03 0.22195E+01 -0.35203E-01 9036 0.245E+01 0.271E-01 RMM: 2 -0.316017861121E+03 -0.19547E-01 -0.18238E-01 5478 0.911E-01 0.721E-01 RMM: 3 -0.316013292651E+03 0.45685E-02 -0.13633E-02 5847 0.227E-01 0.217E-01 RMM: 4 -0.316013313891E+03 -0.21241E-04 -0.12424E-03 4805 0.835E-02 0.284E-01 RMM: 5 -0.316012793936E+03 0.51996E-03 -0.37511E-04 4079 0.485E-02 0.111E-01 RMM: 6 -0.316012748317E+03 0.45619E-04 -0.11043E-04 3781 0.286E-02 0.815E-02 RMM: 7 -0.316012802821E+03 -0.54505E-04 -0.96463E-05 3812 0.251E-02 0.123E-01 RMM: 8 -0.316012703583E+03 0.99238E-04 -0.52749E-05 3282 0.214E-02 0.320E-02 RMM: 9 -0.316012701966E+03 0.16174E-05 -0.15421E-05 2508 0.114E-02 6446 T= 6447. E= 0.68827939E+03 F= 0.63494753E+03 E0= 0.66352653E+03 EK= 0.53332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313855378052E+03 0.21573E+01 -0.34807E-01 9024 0.242E+01 0.347E-01 RMM: 2 -0.313880078473E+03 -0.24700E-01 -0.19100E-01 5303 0.971E-01 0.110E+00 RMM: 3 -0.313870671661E+03 0.94068E-02 -0.18045E-02 5624 0.273E-01 0.311E-01 RMM: 4 -0.313870342049E+03 0.32961E-03 -0.20399E-03 4965 0.102E-01 0.273E-01 RMM: 5 -0.313869905524E+03 0.43653E-03 -0.45248E-04 4142 0.514E-02 0.155E-01 RMM: 6 -0.313869770326E+03 0.13520E-03 -0.13179E-04 3837 0.315E-02 0.741E-02 RMM: 7 -0.313869826848E+03 -0.56522E-04 -0.10162E-04 3772 0.260E-02 0.122E-01 RMM: 8 -0.313869745745E+03 0.81102E-04 -0.85150E-05 3752 0.243E-02 0.539E-02 RMM: 9 -0.313869732284E+03 0.13461E-04 -0.22835E-05 2642 0.141E-02 6447 T= 6299. E= 0.68901025E+03 F= 0.63690389E+03 E0= 0.66549206E+03 EK= 0.52106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312076690907E+03 0.17931E+01 -0.28384E-01 9024 0.238E+01 0.344E-01 RMM: 2 -0.312101484407E+03 -0.24793E-01 -0.17616E-01 5385 0.944E-01 0.120E+00 RMM: 3 -0.312090746752E+03 0.10738E-01 -0.16495E-02 5592 0.262E-01 0.305E-01 RMM: 4 -0.312090479452E+03 0.26730E-03 -0.20526E-03 4931 0.103E-01 0.282E-01 RMM: 5 -0.312090082092E+03 0.39736E-03 -0.46953E-04 4254 0.524E-02 0.178E-01 RMM: 6 -0.312089888697E+03 0.19339E-03 -0.15269E-04 3865 0.340E-02 0.683E-02 RMM: 7 -0.312089929705E+03 -0.41008E-04 -0.74675E-05 3541 0.228E-02 0.108E-01 RMM: 8 -0.312089874076E+03 0.55629E-04 -0.77663E-05 3796 0.231E-02 0.608E-02 RMM: 9 -0.312089853435E+03 0.20641E-04 -0.25621E-05 2807 0.151E-02 0.263E-02 RMM: 10 -0.312089852814E+03 0.62122E-06 -0.86833E-06 2476 0.974E-03 6448 T= 6222. E= 0.68997703E+03 F= 0.63850283E+03 E0= 0.66710066E+03 EK= 0.51474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310896098588E+03 0.11938E+01 -0.21105E-01 8532 0.236E+01 0.286E-01 RMM: 2 -0.310914628580E+03 -0.18530E-01 -0.15045E-01 5226 0.880E-01 0.900E-01 RMM: 3 -0.310908533115E+03 0.60955E-02 -0.14837E-02 5687 0.241E-01 0.262E-01 RMM: 4 -0.310908310656E+03 0.22246E-03 -0.14879E-03 4886 0.889E-02 0.249E-01 RMM: 5 -0.310907923444E+03 0.38721E-03 -0.34066E-04 3951 0.457E-02 0.120E-01 RMM: 6 -0.310907847476E+03 0.75968E-04 -0.87464E-05 3627 0.267E-02 0.645E-02 RMM: 7 -0.310907884670E+03 -0.37194E-04 -0.79971E-05 3633 0.238E-02 0.101E-01 RMM: 8 -0.310907819194E+03 0.65476E-04 -0.50967E-05 3224 0.208E-02 0.359E-02 RMM: 9 -0.310907814526E+03 0.46685E-05 -0.14518E-05 2517 0.112E-02 6449 T= 6271. E= 0.69138837E+03 F= 0.63951022E+03 E0= 0.66811781E+03 EK= 0.51878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310373510893E+03 0.53431E+00 -0.17514E-01 8052 0.237E+01 0.222E-01 RMM: 2 -0.310383890868E+03 -0.10380E-01 -0.86778E-02 5148 0.691E-01 0.716E-01 RMM: 3 -0.310380291650E+03 0.35992E-02 -0.89947E-03 5882 0.180E-01 0.140E-01 RMM: 4 -0.310380336965E+03 -0.45315E-04 -0.72468E-04 4636 0.652E-02 0.229E-01 RMM: 5 -0.310379997799E+03 0.33917E-03 -0.24567E-04 3912 0.422E-02 0.852E-02 RMM: 6 -0.310379995999E+03 0.18005E-05 -0.97415E-05 3664 0.274E-02 6450 T= 6439. E= 0.69313621E+03 F= 0.63987024E+03 E0= 0.66848537E+03 EK= 0.53266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310362817765E+03 0.17180E-01 -0.19487E-01 8736 0.241E+01 0.335E-01 RMM: 2 -0.310387853988E+03 -0.25036E-01 -0.10854E-01 5216 0.774E-01 0.156E+00 RMM: 3 -0.310371197583E+03 0.16656E-01 -0.14183E-02 5396 0.273E-01 0.361E-01 RMM: 4 -0.310370313366E+03 0.88422E-03 -0.17790E-03 4779 0.897E-02 0.139E-01 RMM: 5 -0.310370326770E+03 -0.13405E-04 -0.37305E-04 4190 0.491E-02 0.172E-01 RMM: 6 -0.310370140424E+03 0.18635E-03 -0.17219E-04 3878 0.365E-02 0.751E-02 RMM: 7 -0.310370246728E+03 -0.10630E-03 -0.13049E-04 3882 0.308E-02 0.147E-01 RMM: 8 -0.310370100083E+03 0.14664E-03 -0.63664E-05 3431 0.244E-02 0.382E-02 RMM: 9 -0.310370097886E+03 0.21970E-05 -0.16724E-05 2547 0.119E-02 6451 T= 6655. E= 0.69477718E+03 F= 0.63971919E+03 E0= 0.66833610E+03 EK= 0.55058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310634291224E+03 -0.26419E+00 -0.23737E-01 9072 0.245E+01 0.392E-01 RMM: 2 -0.310679958105E+03 -0.45667E-01 -0.16227E-01 5196 0.945E-01 0.217E+00 RMM: 3 -0.310646933207E+03 0.33025E-01 -0.21374E-02 5401 0.336E-01 0.385E-01 RMM: 4 -0.310645886622E+03 0.10466E-02 -0.25695E-03 5158 0.103E-01 0.139E-01 RMM: 5 -0.310645842638E+03 0.43985E-04 -0.34794E-04 3969 0.450E-02 0.151E-01 RMM: 6 -0.310645707092E+03 0.13555E-03 -0.12328E-04 3862 0.310E-02 0.714E-02 RMM: 7 -0.310645775679E+03 -0.68587E-04 -0.10844E-04 3848 0.266E-02 0.128E-01 RMM: 8 -0.310645671225E+03 0.10445E-03 -0.61325E-05 3402 0.237E-02 0.404E-02 RMM: 9 -0.310645670828E+03 0.39691E-06 -0.19092E-05 2534 0.126E-02 6452 T= 6814. E= 0.69566254E+03 F= 0.63928865E+03 E0= 0.66790092E+03 EK= 0.56374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310987196711E+03 -0.34153E+00 -0.26788E-01 9120 0.247E+01 0.303E-01 RMM: 2 -0.311014321224E+03 -0.27125E-01 -0.18215E-01 5190 0.969E-01 0.130E+00 RMM: 3 -0.311002412589E+03 0.11909E-01 -0.19303E-02 5663 0.286E-01 0.316E-01 RMM: 4 -0.311001672423E+03 0.74017E-03 -0.15798E-03 4896 0.819E-02 0.143E-01 RMM: 5 -0.311001548333E+03 0.12409E-03 -0.25954E-04 3933 0.426E-02 0.120E-01 RMM: 6 -0.311001513443E+03 0.34890E-04 -0.13145E-04 3867 0.312E-02 0.109E-01 RMM: 7 -0.311001570317E+03 -0.56874E-04 -0.13988E-04 3888 0.317E-02 0.149E-01 RMM: 8 -0.311001425477E+03 0.14484E-03 -0.73852E-05 3526 0.247E-02 0.458E-02 RMM: 9 -0.311001425770E+03 -0.29260E-06 -0.26267E-05 2621 0.147E-02 6453 T= 6828. E= 0.69527057E+03 F= 0.63878235E+03 E0= 0.66738258E+03 EK= 0.56488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311312828808E+03 -0.31140E+00 -0.26421E-01 9012 0.245E+01 0.246E-01 RMM: 2 -0.311336798100E+03 -0.23969E-01 -0.17935E-01 5222 0.918E-01 0.108E+00 RMM: 3 -0.311327955569E+03 0.88425E-02 -0.16770E-02 5812 0.247E-01 0.213E-01 RMM: 4 -0.311327528951E+03 0.42662E-03 -0.11079E-03 4786 0.733E-02 0.156E-01 RMM: 5 -0.311327371413E+03 0.15754E-03 -0.21480E-04 3896 0.386E-02 0.101E-01 RMM: 6 -0.311327371973E+03 -0.55951E-06 -0.10540E-04 3786 0.274E-02 6454 T= 6679. E= 0.69356581E+03 F= 0.63830856E+03 E0= 0.66689052E+03 EK= 0.55257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311592597720E+03 -0.26523E+00 -0.26803E-01 8964 0.241E+01 0.408E-01 RMM: 2 -0.311635954884E+03 -0.43357E-01 -0.18060E-01 5104 0.944E-01 0.205E+00 RMM: 3 -0.311606229170E+03 0.29726E-01 -0.22174E-02 5381 0.347E-01 0.369E-01 RMM: 4 -0.311605389527E+03 0.83964E-03 -0.25661E-03 5271 0.993E-02 0.170E-01 RMM: 5 -0.311605372663E+03 0.16864E-04 -0.44530E-04 4154 0.503E-02 0.199E-01 RMM: 6 -0.311605140309E+03 0.23235E-03 -0.22546E-04 3890 0.403E-02 0.979E-02 RMM: 7 -0.311605269478E+03 -0.12917E-03 -0.18964E-04 3884 0.359E-02 0.169E-01 RMM: 8 -0.311605091706E+03 0.17777E-03 -0.11379E-04 3819 0.297E-02 0.624E-02 RMM: 9 -0.311605069174E+03 0.22532E-04 -0.22679E-05 2656 0.141E-02 0.296E-02 RMM: 10 -0.311605075131E+03 -0.59571E-05 -0.13066E-05 2492 0.108E-02 6455 T= 6429. E= 0.69106621E+03 F= 0.63788433E+03 E0= 0.66644472E+03 EK= 0.53182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311866674111E+03 -0.26160E+00 -0.26087E-01 8940 0.236E+01 0.373E-01 RMM: 2 -0.311905888867E+03 -0.39215E-01 -0.16497E-01 5012 0.905E-01 0.192E+00 RMM: 3 -0.311879807203E+03 0.26082E-01 -0.20183E-02 5400 0.327E-01 0.347E-01 RMM: 4 -0.311879037296E+03 0.76991E-03 -0.23927E-03 5138 0.999E-02 0.169E-01 RMM: 5 -0.311879009978E+03 0.27318E-04 -0.37854E-04 3988 0.464E-02 0.170E-01 RMM: 6 -0.311878824193E+03 0.18578E-03 -0.14393E-04 3876 0.332E-02 0.592E-02 RMM: 7 -0.311878853858E+03 -0.29665E-04 -0.59284E-05 3354 0.205E-02 0.914E-02 RMM: 8 -0.311878813686E+03 0.40172E-04 -0.48259E-05 3089 0.206E-02 0.475E-02 RMM: 9 -0.311878801543E+03 0.12143E-04 -0.16410E-05 2521 0.122E-02 6456 T= 6175. E= 0.68855120E+03 F= 0.63746492E+03 E0= 0.66600137E+03 EK= 0.51086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312214285307E+03 -0.33547E+00 -0.24925E-01 9024 0.232E+01 0.298E-01 RMM: 2 -0.312235830894E+03 -0.21546E-01 -0.14711E-01 5199 0.862E-01 0.115E+00 RMM: 3 -0.312226011113E+03 0.98198E-02 -0.14396E-02 5640 0.250E-01 0.236E-01 RMM: 4 -0.312225799628E+03 0.21148E-03 -0.14763E-03 4810 0.858E-02 0.225E-01 RMM: 5 -0.312225544284E+03 0.25534E-03 -0.29582E-04 3912 0.414E-02 0.139E-01 RMM: 6 -0.312225430784E+03 0.11350E-03 -0.10488E-04 3749 0.285E-02 0.632E-02 RMM: 7 -0.312225505039E+03 -0.74255E-04 -0.98688E-05 3846 0.251E-02 0.126E-01 RMM: 8 -0.312225397323E+03 0.10772E-03 -0.60208E-05 3404 0.228E-02 0.328E-02 RMM: 9 -0.312225392149E+03 0.51734E-05 -0.12561E-05 2495 0.105E-02 6457 T= 6011. E= 0.68669879E+03 F= 0.63697400E+03 E0= 0.66548709E+03 EK= 0.49725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312719055896E+03 -0.49366E+00 -0.23933E-01 8976 0.230E+01 0.247E-01 RMM: 2 -0.312737833574E+03 -0.18778E-01 -0.14960E-01 5136 0.869E-01 0.922E-01 RMM: 3 -0.312731512474E+03 0.63211E-02 -0.14211E-02 5834 0.232E-01 0.196E-01 RMM: 4 -0.312731294444E+03 0.21803E-03 -0.11316E-03 4758 0.783E-02 0.201E-01 RMM: 5 -0.312731058365E+03 0.23608E-03 -0.24083E-04 3885 0.389E-02 0.106E-01 RMM: 6 -0.312730997239E+03 0.61126E-04 -0.77813E-05 3527 0.251E-02 0.592E-02 RMM: 7 -0.312731046256E+03 -0.49017E-04 -0.64685E-05 3437 0.215E-02 0.110E-01 RMM: 8 -0.312730965378E+03 0.80878E-04 -0.42055E-05 3034 0.200E-02 0.290E-02 RMM: 9 -0.312730961878E+03 0.34997E-05 -0.12209E-05 2477 0.100E-02 6458 T= 5991. E= 0.68588493E+03 F= 0.63632673E+03 E0= 0.66481851E+03 EK= 0.49558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313454495694E+03 -0.72353E+00 -0.21898E-01 8796 0.231E+01 0.240E-01 RMM: 2 -0.313474257726E+03 -0.19762E-01 -0.14705E-01 5098 0.867E-01 0.988E-01 RMM: 3 -0.313466884778E+03 0.73729E-02 -0.15065E-02 5734 0.241E-01 0.181E-01 RMM: 4 -0.313466706446E+03 0.17833E-03 -0.11486E-03 4774 0.767E-02 0.189E-01 RMM: 5 -0.313466507789E+03 0.19866E-03 -0.22600E-04 3896 0.365E-02 0.108E-01 RMM: 6 -0.313466451172E+03 0.56617E-04 -0.72434E-05 3472 0.239E-02 0.635E-02 RMM: 7 -0.313466495325E+03 -0.44153E-04 -0.74612E-05 3612 0.231E-02 0.106E-01 RMM: 8 -0.313466419779E+03 0.75546E-04 -0.43344E-05 3119 0.207E-02 0.266E-02 RMM: 9 -0.313466417989E+03 0.17895E-05 -0.11638E-05 2481 0.991E-03 6459 T= 6127. E= 0.68613742E+03 F= 0.63545372E+03 E0= 0.66392719E+03 EK= 0.50684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314448727327E+03 -0.98231E+00 -0.20384E-01 8172 0.235E+01 0.211E-01 RMM: 2 -0.314466906460E+03 -0.18179E-01 -0.14782E-01 5017 0.874E-01 0.858E-01 RMM: 3 -0.314461441313E+03 0.54651E-02 -0.15751E-02 5946 0.230E-01 0.172E-01 RMM: 4 -0.314461097787E+03 0.34353E-03 -0.91825E-04 4754 0.716E-02 0.156E-01 RMM: 5 -0.314460948119E+03 0.14967E-03 -0.19062E-04 3891 0.361E-02 0.889E-02 RMM: 6 -0.314460929235E+03 0.18883E-04 -0.78729E-05 3541 0.248E-02 6460 T= 6383. E= 0.68712788E+03 F= 0.63432697E+03 E0= 0.66278630E+03 EK= 0.52801E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315670411537E+03 -0.12095E+01 -0.19235E-01 7920 0.241E+01 0.347E-01 RMM: 2 -0.315705216521E+03 -0.34805E-01 -0.12119E-01 5061 0.822E-01 0.195E+00 RMM: 3 -0.315679723517E+03 0.25493E-01 -0.17418E-02 5404 0.309E-01 0.322E-01 RMM: 4 -0.315679051045E+03 0.67247E-03 -0.19250E-03 4988 0.840E-02 0.128E-01 RMM: 5 -0.315679001851E+03 0.49194E-04 -0.30980E-04 4031 0.471E-02 0.140E-01 RMM: 6 -0.315678896605E+03 0.10525E-03 -0.14337E-04 3881 0.325E-02 0.842E-02 RMM: 7 -0.315678984897E+03 -0.88293E-04 -0.12966E-04 3876 0.307E-02 0.143E-01 RMM: 8 -0.315678850243E+03 0.13465E-03 -0.68791E-05 3500 0.250E-02 0.498E-02 RMM: 9 -0.315678841269E+03 0.89736E-05 -0.21818E-05 2601 0.139E-02 6461 T= 6673. E= 0.68818380E+03 F= 0.63298244E+03 E0= 0.66143028E+03 EK= 0.55201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317012901969E+03 -0.13341E+01 -0.19940E-01 7692 0.246E+01 0.324E-01 RMM: 2 -0.317048052372E+03 -0.35150E-01 -0.13178E-01 4816 0.884E-01 0.190E+00 RMM: 3 -0.317023556619E+03 0.24496E-01 -0.18269E-02 5400 0.313E-01 0.313E-01 RMM: 4 -0.317022873431E+03 0.68319E-03 -0.19914E-03 5081 0.915E-02 0.121E-01 RMM: 5 -0.317022854386E+03 0.19045E-04 -0.30614E-04 3934 0.429E-02 0.137E-01 RMM: 6 -0.317022733165E+03 0.12122E-03 -0.11722E-04 3859 0.300E-02 0.515E-02 RMM: 7 -0.317022772355E+03 -0.39190E-04 -0.62745E-05 3403 0.209E-02 0.985E-02 RMM: 8 -0.317022708336E+03 0.64018E-04 -0.38158E-05 3020 0.202E-02 0.257E-02 RMM: 9 -0.317022705860E+03 0.24765E-05 -0.90895E-06 2464 0.848E-03 6462 T= 6881. E= 0.68843739E+03 F= 0.63151695E+03 E0= 0.65995618E+03 EK= 0.56920E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318354414882E+03 -0.13317E+01 -0.19744E-01 7596 0.248E+01 0.255E-01 RMM: 2 -0.318374445047E+03 -0.20030E-01 -0.12076E-01 4935 0.842E-01 0.123E+00 RMM: 3 -0.318364445187E+03 0.99999E-02 -0.14528E-02 5533 0.252E-01 0.251E-01 RMM: 4 -0.318363961313E+03 0.48387E-03 -0.11409E-03 4836 0.693E-02 0.102E-01 RMM: 5 -0.318363886594E+03 0.74719E-04 -0.22034E-04 3939 0.421E-02 0.919E-02 RMM: 6 -0.318363862189E+03 0.24405E-04 -0.87388E-05 3666 0.251E-02 0.834E-02 RMM: 7 -0.318363870899E+03 -0.87105E-05 -0.89833E-05 3836 0.259E-02 6463 T= 6909. E= 0.68721317E+03 F= 0.63005779E+03 E0= 0.65848904E+03 EK= 0.57155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319587778287E+03 -0.12239E+01 -0.18882E-01 7644 0.247E+01 0.220E-01 RMM: 2 -0.319603249349E+03 -0.15471E-01 -0.12045E-01 4905 0.821E-01 0.868E-01 RMM: 3 -0.319598042355E+03 0.52070E-02 -0.14505E-02 5886 0.221E-01 0.187E-01 RMM: 4 -0.319597670979E+03 0.37138E-03 -0.82923E-04 4769 0.660E-02 0.131E-01 RMM: 5 -0.319597547429E+03 0.12355E-03 -0.19983E-04 3925 0.388E-02 0.930E-02 RMM: 6 -0.319597553637E+03 -0.62083E-05 -0.11224E-04 3818 0.284E-02 6464 T= 6739. E= 0.68445437E+03 F= 0.62870814E+03 E0= 0.65713001E+03 EK= 0.55746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320667463731E+03 -0.10699E+01 -0.20301E-01 7548 0.243E+01 0.353E-01 RMM: 2 -0.320703232333E+03 -0.35769E-01 -0.14992E-01 4830 0.926E-01 0.185E+00 RMM: 3 -0.320679271768E+03 0.23961E-01 -0.20660E-02 5394 0.329E-01 0.332E-01 RMM: 4 -0.320678531700E+03 0.74007E-03 -0.21660E-03 5302 0.871E-02 0.114E-01 RMM: 5 -0.320678509709E+03 0.21991E-04 -0.27940E-04 3953 0.417E-02 0.135E-01 RMM: 6 -0.320678396241E+03 0.11347E-03 -0.11635E-04 3852 0.297E-02 0.671E-02 RMM: 7 -0.320678444314E+03 -0.48074E-04 -0.90834E-05 3709 0.255E-02 0.110E-01 RMM: 8 -0.320678365552E+03 0.78763E-04 -0.49387E-05 3214 0.214E-02 0.454E-02 RMM: 9 -0.320678354041E+03 0.11511E-04 -0.16396E-05 2527 0.120E-02 6465 T= 6441. E= 0.68079597E+03 F= 0.62751216E+03 E0= 0.65592155E+03 EK= 0.53284E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321611620489E+03 -0.93325E+00 -0.18163E-01 7668 0.237E+01 0.345E-01 RMM: 2 -0.321644453859E+03 -0.32833E-01 -0.10687E-01 4871 0.766E-01 0.188E+00 RMM: 3 -0.321619748953E+03 0.24705E-01 -0.16320E-02 5383 0.301E-01 0.346E-01 RMM: 4 -0.321618941178E+03 0.80778E-03 -0.19704E-03 4966 0.914E-02 0.128E-01 RMM: 5 -0.321618984005E+03 -0.42828E-04 -0.30333E-04 3920 0.424E-02 0.161E-01 RMM: 6 -0.321618803602E+03 0.18040E-03 -0.10758E-04 3778 0.294E-02 0.440E-02 RMM: 7 -0.321618820725E+03 -0.17122E-04 -0.44170E-05 3131 0.183E-02 6466 T= 6132. E= 0.67718803E+03 F= 0.62645681E+03 E0= 0.65485052E+03 EK= 0.50731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322451738373E+03 -0.83293E+00 -0.17256E-01 7788 0.232E+01 0.227E-01 RMM: 2 -0.322463797233E+03 -0.12059E-01 -0.76114E-02 5026 0.635E-01 0.935E-01 RMM: 3 -0.322457591082E+03 0.62062E-02 -0.83853E-03 5468 0.196E-01 0.194E-01 RMM: 4 -0.322457461522E+03 0.12956E-03 -0.83987E-04 4655 0.641E-02 0.164E-01 RMM: 5 -0.322457322282E+03 0.13924E-03 -0.18522E-04 3881 0.346E-02 0.114E-01 RMM: 6 -0.322457249247E+03 0.73035E-04 -0.84489E-05 3601 0.258E-02 0.610E-02 RMM: 7 -0.322457303556E+03 -0.54309E-04 -0.74112E-05 3597 0.228E-02 0.114E-01 RMM: 8 -0.322457217365E+03 0.86191E-04 -0.41445E-05 3111 0.203E-02 0.265E-02 RMM: 9 -0.322457214693E+03 0.26726E-05 -0.10256E-05 2472 0.933E-03 6467 T= 5916. E= 0.67444730E+03 F= 0.62550434E+03 E0= 0.65387913E+03 EK= 0.48943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323225546067E+03 -0.76833E+00 -0.17268E-01 7944 0.230E+01 0.186E-01 RMM: 2 -0.323235478689E+03 -0.99326E-02 -0.76211E-02 4935 0.637E-01 0.725E-01 RMM: 3 -0.323231561574E+03 0.39171E-02 -0.80479E-03 5749 0.176E-01 0.129E-01 RMM: 4 -0.323231524229E+03 0.37344E-04 -0.58828E-04 4636 0.571E-02 0.170E-01 RMM: 5 -0.323231343492E+03 0.18074E-03 -0.14703E-04 3879 0.325E-02 0.803E-02 RMM: 6 -0.323231309096E+03 0.34396E-04 -0.51803E-05 3252 0.210E-02 0.490E-02 RMM: 7 -0.323231330808E+03 -0.21712E-04 -0.39946E-05 2981 0.181E-02 0.826E-02 RMM: 8 -0.323231284341E+03 0.46467E-04 -0.28988E-05 2691 0.171E-02 0.194E-02 RMM: 9 -0.323231283372E+03 0.96865E-06 -0.77880E-06 2448 0.785E-03 6468 T= 5853. E= 0.67303804E+03 F= 0.62461828E+03 E0= 0.65297123E+03 EK= 0.48420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323945713215E+03 -0.71443E+00 -0.16504E-01 8016 0.231E+01 0.175E-01 RMM: 2 -0.323953666266E+03 -0.79531E-02 -0.65119E-02 5010 0.593E-01 0.620E-01 RMM: 3 -0.323950888143E+03 0.27781E-02 -0.68280E-03 5743 0.162E-01 0.132E-01 RMM: 4 -0.323950826587E+03 0.61556E-04 -0.48962E-04 4534 0.522E-02 0.146E-01 RMM: 5 -0.323950686889E+03 0.13970E-03 -0.12439E-04 3876 0.297E-02 0.790E-02 RMM: 6 -0.323950665908E+03 0.20981E-04 -0.54662E-05 3294 0.211E-02 0.628E-02 RMM: 7 -0.323950678557E+03 -0.12649E-04 -0.44947E-05 3102 0.193E-02 6469 T= 5956. E= 0.67306548E+03 F= 0.62379060E+03 E0= 0.65211967E+03 EK= 0.49275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324585521370E+03 -0.63486E+00 -0.16796E-01 8100 0.234E+01 0.173E-01 RMM: 2 -0.324594189743E+03 -0.86684E-02 -0.72315E-02 4992 0.630E-01 0.617E-01 RMM: 3 -0.324591522581E+03 0.26672E-02 -0.80286E-03 5881 0.168E-01 0.147E-01 RMM: 4 -0.324591344339E+03 0.17824E-03 -0.48326E-04 4511 0.521E-02 0.131E-01 RMM: 5 -0.324591235005E+03 0.10933E-03 -0.13711E-04 3878 0.332E-02 0.791E-02 RMM: 6 -0.324591226887E+03 0.81178E-05 -0.68529E-05 3454 0.230E-02 6470 T= 6195. E= 0.67429971E+03 F= 0.62304688E+03 E0= 0.65135025E+03 EK= 0.51253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325094526186E+03 -0.50329E+00 -0.18363E-01 7932 0.240E+01 0.290E-01 RMM: 2 -0.325115806999E+03 -0.21281E-01 -0.10184E-01 4883 0.757E-01 0.138E+00 RMM: 3 -0.325102646966E+03 0.13160E-01 -0.13945E-02 5412 0.266E-01 0.272E-01 RMM: 4 -0.325102112289E+03 0.53468E-03 -0.13307E-03 4786 0.730E-02 0.101E-01 RMM: 5 -0.325102086936E+03 0.25353E-04 -0.20754E-04 3903 0.387E-02 0.111E-01 RMM: 6 -0.325102012045E+03 0.74891E-04 -0.85036E-05 3672 0.258E-02 0.606E-02 RMM: 7 -0.325102052672E+03 -0.40627E-04 -0.72218E-05 3551 0.234E-02 0.102E-01 RMM: 8 -0.325101980774E+03 0.71898E-04 -0.39632E-05 3040 0.196E-02 0.345E-02 RMM: 9 -0.325101975790E+03 0.49834E-05 -0.13784E-05 2489 0.109E-02 6471 T= 6495. E= 0.67617395E+03 F= 0.62243884E+03 E0= 0.65071483E+03 EK= 0.53735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325411798031E+03 -0.30982E+00 -0.19063E-01 7968 0.245E+01 0.278E-01 RMM: 2 -0.325433307684E+03 -0.21510E-01 -0.97926E-02 4931 0.742E-01 0.139E+00 RMM: 3 -0.325419680391E+03 0.13627E-01 -0.13052E-02 5384 0.263E-01 0.277E-01 RMM: 4 -0.325419160234E+03 0.52016E-03 -0.13903E-03 4800 0.778E-02 0.107E-01 RMM: 5 -0.325419122612E+03 0.37622E-04 -0.20181E-04 3888 0.370E-02 0.111E-01 RMM: 6 -0.325419044175E+03 0.78438E-04 -0.66471E-05 3445 0.238E-02 0.438E-02 RMM: 7 -0.325419070045E+03 -0.25870E-04 -0.48473E-05 3186 0.198E-02 0.829E-02 RMM: 8 -0.325419022329E+03 0.47716E-04 -0.33307E-05 2843 0.185E-02 0.254E-02 RMM: 9 -0.325419019707E+03 0.26218E-05 -0.10345E-05 2463 0.926E-03 6472 T= 6749. E= 0.67786062E+03 F= 0.62203034E+03 E0= 0.65027846E+03 EK= 0.55830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325485942540E+03 -0.66920E-01 -0.19507E-01 7896 0.248E+01 0.217E-01 RMM: 2 -0.325502192499E+03 -0.16250E-01 -0.10189E-01 5053 0.732E-01 0.104E+00 RMM: 3 -0.325494273518E+03 0.79190E-02 -0.10701E-02 5575 0.213E-01 0.194E-01 RMM: 4 -0.325493990747E+03 0.28277E-03 -0.86280E-04 4695 0.638E-02 0.112E-01 RMM: 5 -0.325493911991E+03 0.78756E-04 -0.15532E-04 3886 0.336E-02 0.849E-02 RMM: 6 -0.325493882946E+03 0.29045E-04 -0.56166E-05 3289 0.212E-02 0.656E-02 RMM: 7 -0.325493897272E+03 -0.14326E-04 -0.69962E-05 3620 0.230E-02 6473 T= 6852. E= 0.67855644E+03 F= 0.62186917E+03 E0= 0.65009003E+03 EK= 0.56687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325321191220E+03 0.17269E+00 -0.18540E-01 7992 0.247E+01 0.182E-01 RMM: 2 -0.325331225693E+03 -0.10034E-01 -0.87350E-02 5272 0.656E-01 0.619E-01 RMM: 3 -0.325328154724E+03 0.30710E-02 -0.76040E-03 5969 0.167E-01 0.153E-01 RMM: 4 -0.325328014792E+03 0.13993E-03 -0.50889E-04 4548 0.529E-02 0.144E-01 RMM: 5 -0.325327865746E+03 0.14905E-03 -0.12714E-04 3882 0.290E-02 0.776E-02 RMM: 6 -0.325327861789E+03 0.39570E-05 -0.65490E-05 3425 0.227E-02 6474 T= 6764. E= 0.67790567E+03 F= 0.62195314E+03 E0= 0.65014858E+03 EK= 0.55953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324977734208E+03 0.35013E+00 -0.19003E-01 8088 0.242E+01 0.353E-01 RMM: 2 -0.325007510238E+03 -0.29776E-01 -0.10675E-01 5197 0.749E-01 0.176E+00 RMM: 3 -0.324985475749E+03 0.22034E-01 -0.15428E-02 5378 0.292E-01 0.292E-01 RMM: 4 -0.324984902058E+03 0.57369E-03 -0.16669E-03 4777 0.824E-02 0.120E-01 RMM: 5 -0.324984878592E+03 0.23465E-04 -0.23391E-04 3923 0.370E-02 0.132E-01 RMM: 6 -0.324984772962E+03 0.10563E-03 -0.84998E-05 3596 0.265E-02 0.608E-02 RMM: 7 -0.324984783491E+03 -0.10529E-04 -0.52118E-05 3229 0.204E-02 6475 T= 6527. E= 0.67621609E+03 F= 0.62221756E+03 E0= 0.65038986E+03 EK= 0.53999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324568109279E+03 0.41666E+00 -0.18374E-01 8052 0.237E+01 0.313E-01 RMM: 2 -0.324591620883E+03 -0.23512E-01 -0.94654E-02 5260 0.702E-01 0.153E+00 RMM: 3 -0.324575181682E+03 0.16439E-01 -0.12145E-02 5395 0.261E-01 0.334E-01 RMM: 4 -0.324574423576E+03 0.75811E-03 -0.15575E-03 4755 0.849E-02 0.124E-01 RMM: 5 -0.324574448797E+03 -0.25221E-04 -0.27076E-04 3909 0.426E-02 0.147E-01 RMM: 6 -0.324574300653E+03 0.14814E-03 -0.92182E-05 3642 0.278E-02 0.466E-02 RMM: 7 -0.324574307746E+03 -0.70927E-05 -0.31595E-05 2827 0.163E-02 6476 T= 6248. E= 0.67424382E+03 F= 0.62255248E+03 E0= 0.65070392E+03 EK= 0.51691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324210751997E+03 0.36355E+00 -0.18386E-01 8376 0.231E+01 0.275E-01 RMM: 2 -0.324229597466E+03 -0.18845E-01 -0.10389E-01 5216 0.721E-01 0.122E+00 RMM: 3 -0.324218659129E+03 0.10938E-01 -0.11348E-02 5486 0.235E-01 0.212E-01 RMM: 4 -0.324218422175E+03 0.23695E-03 -0.11151E-03 4704 0.700E-02 0.153E-01 RMM: 5 -0.324218339920E+03 0.82256E-04 -0.20055E-04 3901 0.353E-02 0.128E-01 RMM: 6 -0.324218231887E+03 0.10803E-03 -0.90746E-05 3635 0.274E-02 0.431E-02 RMM: 7 -0.324218266864E+03 -0.34977E-04 -0.48693E-05 3163 0.196E-02 0.888E-02 RMM: 8 -0.324218220514E+03 0.46349E-04 -0.38745E-05 2833 0.192E-02 0.385E-02 RMM: 9 -0.324218212272E+03 0.82420E-05 -0.13394E-05 2478 0.110E-02 6477 T= 6036. E= 0.67277064E+03 F= 0.62283633E+03 E0= 0.65097016E+03 EK= 0.49934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324013950719E+03 0.20427E+00 -0.17902E-01 8628 0.227E+01 0.184E-01 RMM: 2 -0.324024316323E+03 -0.10366E-01 -0.89440E-02 5205 0.651E-01 0.619E-01 RMM: 3 -0.324021052407E+03 0.32639E-02 -0.76002E-03 5727 0.175E-01 0.138E-01 RMM: 4 -0.324021048779E+03 0.36275E-05 -0.58664E-04 4582 0.550E-02 0.178E-01 RMM: 5 -0.324020834413E+03 0.21437E-03 -0.13941E-04 3872 0.309E-02 0.695E-02 RMM: 6 -0.324020808157E+03 0.26256E-04 -0.44420E-05 3127 0.198E-02 0.441E-02 RMM: 7 -0.324020819743E+03 -0.11586E-04 -0.39746E-05 2889 0.181E-02 6478 T= 5965. E= 0.67230933E+03 F= 0.62296547E+03 E0= 0.65108251E+03 EK= 0.49344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324040437527E+03 -0.19629E-01 -0.18719E-01 8796 0.227E+01 0.190E-01 RMM: 2 -0.324052332224E+03 -0.11895E-01 -0.91133E-02 5249 0.657E-01 0.761E-01 RMM: 3 -0.324047631603E+03 0.47006E-02 -0.78674E-03 5834 0.177E-01 0.150E-01 RMM: 4 -0.324047497293E+03 0.13431E-03 -0.59088E-04 4636 0.553E-02 0.133E-01 RMM: 5 -0.324047397185E+03 0.10011E-03 -0.11544E-04 3803 0.271E-02 0.830E-02 RMM: 6 -0.324047362357E+03 0.34828E-04 -0.46028E-05 3160 0.201E-02 0.495E-02 RMM: 7 -0.324047390657E+03 -0.28299E-04 -0.42649E-05 3022 0.185E-02 0.864E-02 RMM: 8 -0.324047341043E+03 0.49614E-04 -0.27873E-05 2671 0.171E-02 0.177E-02 RMM: 9 -0.324047341328E+03 -0.28503E-06 -0.79128E-06 2452 0.803E-03 6479 T= 6061. E= 0.67301788E+03 F= 0.62287547E+03 E0= 0.65097526E+03 EK= 0.50142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324310489941E+03 -0.26315E+00 -0.19948E-01 8784 0.231E+01 0.154E-01 RMM: 2 -0.324322285068E+03 -0.11795E-01 -0.10849E-01 5106 0.713E-01 0.542E-01 RMM: 3 -0.324319478322E+03 0.28067E-02 -0.93202E-03 6037 0.180E-01 0.129E-01 RMM: 4 -0.324319306156E+03 0.17217E-03 -0.50317E-04 4460 0.541E-02 0.122E-01 RMM: 5 -0.324319206950E+03 0.99205E-04 -0.10923E-04 3812 0.293E-02 0.681E-02 RMM: 6 -0.324319185314E+03 0.21636E-04 -0.40032E-05 3041 0.186E-02 0.473E-02 RMM: 7 -0.324319193927E+03 -0.86127E-05 -0.38108E-05 2764 0.182E-02 6480 T= 6302. E= 0.67468330E+03 F= 0.62254548E+03 E0= 0.65062563E+03 EK= 0.52138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324803377215E+03 -0.48419E+00 -0.21328E-01 8808 0.237E+01 0.163E-01 RMM: 2 -0.324816010172E+03 -0.12633E-01 -0.11774E-01 5105 0.757E-01 0.539E-01 RMM: 3 -0.324813383632E+03 0.26265E-02 -0.11256E-02 6235 0.192E-01 0.138E-01 RMM: 4 -0.324813129712E+03 0.25392E-03 -0.51130E-04 4456 0.545E-02 0.124E-01 RMM: 5 -0.324813016805E+03 0.11291E-03 -0.11284E-04 3840 0.304E-02 0.550E-02 RMM: 6 -0.324813046493E+03 -0.29688E-04 -0.65350E-05 3430 0.224E-02 0.894E-02 RMM: 7 -0.324813010643E+03 0.35849E-04 -0.39751E-05 2925 0.190E-02 0.629E-02 RMM: 8 -0.324812984961E+03 0.25683E-04 -0.22681E-05 2559 0.145E-02 0.185E-02 RMM: 9 -0.324812989566E+03 -0.46058E-05 -0.98344E-06 2460 0.937E-03 6481 T= 6614. E= 0.67671096E+03 F= 0.62199903E+03 E0= 0.65005699E+03 EK= 0.54712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325456796547E+03 -0.64381E+00 -0.23315E-01 8568 0.243E+01 0.160E-01 RMM: 2 -0.325473493233E+03 -0.16697E-01 -0.15831E-01 5000 0.878E-01 0.545E-01 RMM: 3 -0.325470359019E+03 0.31342E-02 -0.14390E-02 6192 0.215E-01 0.120E-01 RMM: 4 -0.325470118402E+03 0.24062E-03 -0.67409E-04 4619 0.647E-02 0.143E-01 RMM: 5 -0.325469978786E+03 0.13962E-03 -0.12890E-04 3859 0.331E-02 0.602E-02 RMM: 6 -0.325469968234E+03 0.10552E-04 -0.43796E-05 3077 0.191E-02 6482 T= 6879. E= 0.67820260E+03 F= 0.62129455E+03 E0= 0.64932563E+03 EK= 0.56908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326205107262E+03 -0.73513E+00 -0.23701E-01 8724 0.247E+01 0.210E-01 RMM: 2 -0.326224684023E+03 -0.19577E-01 -0.14983E-01 5112 0.845E-01 0.930E-01 RMM: 3 -0.326217808499E+03 0.68755E-02 -0.13886E-02 5771 0.230E-01 0.185E-01 RMM: 4 -0.326217466652E+03 0.34185E-03 -0.85608E-04 4762 0.644E-02 0.116E-01 RMM: 5 -0.326217376706E+03 0.89946E-04 -0.14807E-04 3892 0.321E-02 0.800E-02 RMM: 6 -0.326217368459E+03 0.82475E-05 -0.63281E-05 3398 0.220E-02 6483 T= 6984. E= 0.67828139E+03 F= 0.62050416E+03 E0= 0.64850700E+03 EK= 0.57777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326983754754E+03 -0.76638E+00 -0.23961E-01 8388 0.248E+01 0.357E-01 RMM: 2 -0.327024466335E+03 -0.40712E-01 -0.16523E-01 4978 0.924E-01 0.192E+00 RMM: 3 -0.326997138041E+03 0.27328E-01 -0.20454E-02 5401 0.327E-01 0.349E-01 RMM: 4 -0.326996253199E+03 0.88484E-03 -0.22740E-03 5094 0.984E-02 0.117E-01 RMM: 5 -0.326996227909E+03 0.25291E-04 -0.28795E-04 3918 0.391E-02 0.123E-01 RMM: 6 -0.326996131114E+03 0.96794E-04 -0.80729E-05 3586 0.254E-02 0.530E-02 RMM: 7 -0.326996151826E+03 -0.20711E-04 -0.41108E-05 2987 0.185E-02 0.801E-02 RMM: 8 -0.326996107894E+03 0.43932E-04 -0.37132E-05 2716 0.176E-02 0.369E-02 RMM: 9 -0.326996103109E+03 0.47841E-05 -0.18258E-05 2509 0.126E-02 6484 T= 6878. E= 0.67658717E+03 F= 0.61968625E+03 E0= 0.64765971E+03 EK= 0.56901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327767104353E+03 -0.77100E+00 -0.23200E-01 8616 0.245E+01 0.344E-01 RMM: 2 -0.327802117530E+03 -0.35013E-01 -0.15411E-01 5015 0.890E-01 0.176E+00 RMM: 3 -0.327779445729E+03 0.22672E-01 -0.18633E-02 5409 0.313E-01 0.361E-01 RMM: 4 -0.327778501329E+03 0.94440E-03 -0.21261E-03 5056 0.959E-02 0.995E-02 RMM: 5 -0.327778509049E+03 -0.77200E-05 -0.25549E-04 3975 0.357E-02 0.123E-01 RMM: 6 -0.327778405076E+03 0.10397E-03 -0.57696E-05 3332 0.219E-02 0.381E-02 RMM: 7 -0.327778417162E+03 -0.12087E-04 -0.30801E-05 2783 0.159E-02 6485 T= 6608. E= 0.67353101E+03 F= 0.61886807E+03 E0= 0.64681298E+03 EK= 0.54663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328556060647E+03 -0.77766E+00 -0.21431E-01 8652 0.240E+01 0.219E-01 RMM: 2 -0.328575697228E+03 -0.19637E-01 -0.13424E-01 5131 0.804E-01 0.104E+00 RMM: 3 -0.328567324781E+03 0.83724E-02 -0.12759E-02 5581 0.230E-01 0.190E-01 RMM: 4 -0.328567063804E+03 0.26098E-03 -0.96813E-04 4738 0.673E-02 0.131E-01 RMM: 5 -0.328566971194E+03 0.92610E-04 -0.15281E-04 3889 0.311E-02 0.943E-02 RMM: 6 -0.328566920842E+03 0.50352E-04 -0.56313E-05 3284 0.214E-02 0.538E-02 RMM: 7 -0.328566963572E+03 -0.42730E-04 -0.72210E-05 3616 0.228E-02 0.101E-01 RMM: 8 -0.328566893432E+03 0.70140E-04 -0.47461E-05 3142 0.203E-02 0.254E-02 RMM: 9 -0.328566891527E+03 0.19053E-05 -0.11831E-05 2474 0.102E-02 6486 T= 6284. E= 0.67003539E+03 F= 0.61804682E+03 E0= 0.64596644E+03 EK= 0.51989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329368674754E+03 -0.80178E+00 -0.20391E-01 8280 0.235E+01 0.190E-01 RMM: 2 -0.329384642563E+03 -0.15968E-01 -0.13985E-01 4904 0.844E-01 0.702E-01 RMM: 3 -0.329380688945E+03 0.39536E-02 -0.14599E-02 6060 0.220E-01 0.136E-01 RMM: 4 -0.329380435278E+03 0.25367E-03 -0.73759E-04 4721 0.651E-02 0.156E-01 RMM: 5 -0.329380272763E+03 0.16251E-03 -0.14381E-04 3867 0.322E-02 0.733E-02 RMM: 6 -0.329380241676E+03 0.31087E-04 -0.36962E-05 2963 0.182E-02 0.430E-02 RMM: 7 -0.329380253997E+03 -0.12321E-04 -0.41049E-05 2753 0.187E-02 6487 T= 6023. E= 0.66703270E+03 F= 0.61720391E+03 E0= 0.64510278E+03 EK= 0.49829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330221989629E+03 -0.84175E+00 -0.18808E-01 8016 0.232E+01 0.165E-01 RMM: 2 -0.330235387627E+03 -0.13398E-01 -0.12565E-01 4914 0.798E-01 0.531E-01 RMM: 3 -0.330233004020E+03 0.23836E-02 -0.13383E-02 6144 0.204E-01 0.127E-01 RMM: 4 -0.330232766041E+03 0.23798E-03 -0.58656E-04 4582 0.594E-02 0.142E-01 RMM: 5 -0.330232621949E+03 0.14409E-03 -0.10748E-04 3703 0.296E-02 0.586E-02 RMM: 6 -0.330232625525E+03 -0.35753E-05 -0.40923E-05 3013 0.185E-02 6488 T= 5901. E= 0.66514208E+03 F= 0.61632555E+03 E0= 0.64420769E+03 EK= 0.48817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331110648651E+03 -0.87803E+00 -0.18254E-01 8028 0.232E+01 0.252E-01 RMM: 2 -0.331131801747E+03 -0.21153E-01 -0.11545E-01 4949 0.764E-01 0.126E+00 RMM: 3 -0.331120123352E+03 0.11678E-01 -0.13053E-02 5462 0.243E-01 0.204E-01 RMM: 4 -0.331119828879E+03 0.29447E-03 -0.11514E-03 4783 0.700E-02 0.122E-01 RMM: 5 -0.331119755215E+03 0.73663E-04 -0.15369E-04 3936 0.305E-02 0.940E-02 RMM: 6 -0.331119701023E+03 0.54193E-04 -0.47549E-05 3148 0.201E-02 0.488E-02 RMM: 7 -0.331119732269E+03 -0.31246E-04 -0.58125E-05 3392 0.215E-02 0.884E-02 RMM: 8 -0.331119678259E+03 0.54011E-04 -0.38461E-05 2928 0.179E-02 0.286E-02 RMM: 9 -0.331119674597E+03 0.36619E-05 -0.12746E-05 2472 0.107E-02 6489 T= 5945. E= 0.66460163E+03 F= 0.61541644E+03 E0= 0.64328627E+03 EK= 0.49185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332002927406E+03 -0.88325E+00 -0.18045E-01 8196 0.234E+01 0.265E-01 RMM: 2 -0.332023503804E+03 -0.20576E-01 -0.10405E-01 4934 0.745E-01 0.130E+00 RMM: 3 -0.332011484206E+03 0.12020E-01 -0.12690E-02 5444 0.247E-01 0.265E-01 RMM: 4 -0.332010953236E+03 0.53097E-03 -0.12698E-03 4699 0.763E-02 0.103E-01 RMM: 5 -0.332010916450E+03 0.36786E-04 -0.17983E-04 3885 0.346E-02 0.981E-02 RMM: 6 -0.332010852047E+03 0.64403E-04 -0.45352E-05 3103 0.201E-02 0.382E-02 RMM: 7 -0.332010865761E+03 -0.13714E-04 -0.33990E-05 2813 0.169E-02 6490 T= 6139. E= 0.66529725E+03 F= 0.61450734E+03 E0= 0.64236869E+03 EK= 0.50790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332837339445E+03 -0.82649E+00 -0.18311E-01 8544 0.239E+01 0.185E-01 RMM: 2 -0.332849918818E+03 -0.12579E-01 -0.93039E-02 5118 0.680E-01 0.799E-01 RMM: 3 -0.332845020908E+03 0.48979E-02 -0.89615E-03 5694 0.186E-01 0.135E-01 RMM: 4 -0.332844896372E+03 0.12454E-03 -0.60656E-04 4637 0.559E-02 0.139E-01 RMM: 5 -0.332844765212E+03 0.13116E-03 -0.12453E-04 3875 0.302E-02 0.714E-02 RMM: 6 -0.332844754425E+03 0.10787E-04 -0.52007E-05 3242 0.204E-02 6491 T= 6421. E= 0.66677649E+03 F= 0.61365974E+03 E0= 0.64151532E+03 EK= 0.53117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333529047059E+03 -0.68428E+00 -0.19623E-01 8340 0.244E+01 0.266E-01 RMM: 2 -0.333551357429E+03 -0.22310E-01 -0.11394E-01 4988 0.776E-01 0.134E+00 RMM: 3 -0.333538159379E+03 0.13198E-01 -0.13533E-02 5457 0.258E-01 0.198E-01 RMM: 4 -0.333537937859E+03 0.22152E-03 -0.12531E-03 4835 0.714E-02 0.139E-01 RMM: 5 -0.333537811014E+03 0.12685E-03 -0.17614E-04 3889 0.354E-02 0.887E-02 RMM: 6 -0.333537766009E+03 0.45005E-04 -0.59121E-05 3341 0.220E-02 0.536E-02 RMM: 7 -0.333537789054E+03 -0.23045E-04 -0.50971E-05 3209 0.208E-02 0.874E-02 RMM: 8 -0.333537733908E+03 0.55145E-04 -0.35164E-05 2833 0.178E-02 0.242E-02 RMM: 9 -0.333537739214E+03 -0.53059E-05 -0.18258E-05 2504 0.124E-02 6492 T= 6689. E= 0.66829328E+03 F= 0.61295709E+03 E0= 0.64080817E+03 EK= 0.55336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333993557890E+03 -0.45582E+00 -0.20662E-01 8484 0.247E+01 0.281E-01 RMM: 2 -0.334017562069E+03 -0.24004E-01 -0.12180E-01 4972 0.808E-01 0.141E+00 RMM: 3 -0.334003188190E+03 0.14374E-01 -0.14008E-02 5443 0.264E-01 0.237E-01 RMM: 4 -0.334002796044E+03 0.39215E-03 -0.14056E-03 4758 0.789E-02 0.132E-01 RMM: 5 -0.334002716243E+03 0.79801E-04 -0.21043E-04 3880 0.384E-02 0.998E-02 RMM: 6 -0.334002649826E+03 0.66417E-04 -0.56060E-05 3289 0.217E-02 0.403E-02 RMM: 7 -0.334002661932E+03 -0.12106E-04 -0.32744E-05 2656 0.172E-02 6493 T= 6835. E= 0.66902896E+03 F= 0.61248638E+03 E0= 0.64033086E+03 EK= 0.56543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334162420831E+03 -0.15977E+00 -0.22042E-01 8544 0.248E+01 0.178E-01 RMM: 2 -0.334176664739E+03 -0.14244E-01 -0.11944E-01 5041 0.761E-01 0.693E-01 RMM: 3 -0.334172468570E+03 0.41962E-02 -0.11245E-02 5751 0.205E-01 0.126E-01 RMM: 4 -0.334172356637E+03 0.11193E-03 -0.63061E-04 4657 0.576E-02 0.157E-01 RMM: 5 -0.334172179393E+03 0.17724E-03 -0.13790E-04 3886 0.332E-02 0.633E-02 RMM: 6 -0.334172197806E+03 -0.18413E-04 -0.69977E-05 3466 0.226E-02 6494 T= 6791. E= 0.66849737E+03 F= 0.61231481E+03 E0= 0.64014974E+03 EK= 0.56183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334008534358E+03 0.16365E+00 -0.22577E-01 8424 0.245E+01 0.258E-01 RMM: 2 -0.334033295003E+03 -0.24761E-01 -0.13763E-01 4852 0.849E-01 0.135E+00 RMM: 3 -0.334019804092E+03 0.13491E-01 -0.15469E-02 5509 0.267E-01 0.190E-01 RMM: 4 -0.334019531862E+03 0.27223E-03 -0.12755E-03 4866 0.735E-02 0.120E-01 RMM: 5 -0.334019472395E+03 0.59466E-04 -0.17208E-04 3914 0.328E-02 0.102E-01 RMM: 6 -0.334019407790E+03 0.64606E-04 -0.57956E-05 3281 0.221E-02 0.442E-02 RMM: 7 -0.334019432189E+03 -0.24399E-04 -0.36161E-05 2865 0.182E-02 0.782E-02 RMM: 8 -0.334019390161E+03 0.42028E-04 -0.32940E-05 2704 0.173E-02 0.228E-02 RMM: 9 -0.334019391296E+03 -0.11348E-05 -0.12115E-05 2468 0.104E-02 6495 T= 6574. E= 0.66685564E+03 F= 0.61246935E+03 E0= 0.64028987E+03 EK= 0.54386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333550863339E+03 0.46853E+00 -0.21571E-01 8484 0.240E+01 0.237E-01 RMM: 2 -0.333571140514E+03 -0.20277E-01 -0.12505E-01 4855 0.797E-01 0.116E+00 RMM: 3 -0.333561156635E+03 0.99839E-02 -0.13564E-02 5544 0.247E-01 0.208E-01 RMM: 4 -0.333560815303E+03 0.34133E-03 -0.11049E-03 4771 0.706E-02 0.114E-01 RMM: 5 -0.333560762075E+03 0.53228E-04 -0.15674E-04 3889 0.326E-02 0.908E-02 RMM: 6 -0.333560704022E+03 0.58053E-04 -0.39924E-05 3000 0.185E-02 0.404E-02 RMM: 7 -0.333560728574E+03 -0.24552E-04 -0.52868E-05 3273 0.206E-02 0.791E-02 RMM: 8 -0.333560686964E+03 0.41610E-04 -0.36433E-05 2809 0.177E-02 0.233E-02 RMM: 9 -0.333560685654E+03 0.13104E-05 -0.11200E-05 2461 0.995E-03 6496 T= 6272. E= 0.66481688E+03 F= 0.61293373E+03 E0= 0.64073657E+03 EK= 0.51883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332831984467E+03 0.72870E+00 -0.20823E-01 8376 0.235E+01 0.181E-01 RMM: 2 -0.332848095617E+03 -0.16111E-01 -0.12813E-01 4947 0.794E-01 0.792E-01 RMM: 3 -0.332842913964E+03 0.51817E-02 -0.12932E-02 5860 0.216E-01 0.125E-01 RMM: 4 -0.332842737918E+03 0.17605E-03 -0.70462E-04 4714 0.610E-02 0.141E-01 RMM: 5 -0.332842609925E+03 0.12799E-03 -0.12310E-04 3794 0.299E-02 0.757E-02 RMM: 6 -0.332842583941E+03 0.25984E-04 -0.44468E-05 3080 0.195E-02 0.528E-02 RMM: 7 -0.332842599525E+03 -0.15584E-04 -0.66976E-05 3521 0.216E-02 6497 T= 5994. E= 0.66325150E+03 F= 0.61366164E+03 E0= 0.64144569E+03 EK= 0.49590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331912587001E+03 0.93000E+00 -0.19611E-01 8364 0.231E+01 0.157E-01 RMM: 2 -0.331925558204E+03 -0.12971E-01 -0.12277E-01 4969 0.787E-01 0.494E-01 RMM: 3 -0.331923232502E+03 0.23257E-02 -0.12403E-02 6204 0.198E-01 0.127E-01 RMM: 4 -0.331923030388E+03 0.20211E-03 -0.61019E-04 4611 0.617E-02 0.143E-01 RMM: 5 -0.331922884675E+03 0.14571E-03 -0.11480E-04 3758 0.308E-02 0.589E-02 RMM: 6 -0.331922888039E+03 -0.33640E-05 -0.48259E-05 3145 0.201E-02 6498 T= 5832. E= 0.66283783E+03 F= 0.61459549E+03 E0= 0.64236180E+03 EK= 0.48242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330845847381E+03 0.10770E+01 -0.19759E-01 7908 0.230E+01 0.272E-01 RMM: 2 -0.330870962088E+03 -0.25115E-01 -0.14523E-01 4889 0.851E-01 0.132E+00 RMM: 3 -0.330857938436E+03 0.13024E-01 -0.16525E-02 5526 0.267E-01 0.266E-01 RMM: 4 -0.330857356419E+03 0.58202E-03 -0.14272E-03 4874 0.793E-02 0.101E-01 RMM: 5 -0.330857329195E+03 0.27224E-04 -0.19711E-04 3938 0.328E-02 0.109E-01 RMM: 6 -0.330857255969E+03 0.73226E-04 -0.64139E-05 3383 0.226E-02 0.564E-02 RMM: 7 -0.330857298142E+03 -0.42173E-04 -0.67064E-05 3499 0.224E-02 0.100E-01 RMM: 8 -0.330857231304E+03 0.66838E-04 -0.54230E-05 3167 0.202E-02 0.351E-02 RMM: 9 -0.330857224559E+03 0.67452E-05 -0.14058E-05 2494 0.111E-02 6499 T= 5833. E= 0.66393251E+03 F= 0.61567958E+03 E0= 0.64343323E+03 EK= 0.48253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329689937613E+03 0.11673E+01 -0.18062E-01 8220 0.232E+01 0.251E-01 RMM: 2 -0.329711507946E+03 -0.21570E-01 -0.10328E-01 5035 0.701E-01 0.133E+00 RMM: 3 -0.329698116765E+03 0.13391E-01 -0.11685E-02 5426 0.237E-01 0.226E-01 RMM: 4 -0.329697780967E+03 0.33580E-03 -0.12637E-03 4730 0.752E-02 0.118E-01 RMM: 5 -0.329697706659E+03 0.74308E-04 -0.16303E-04 3963 0.300E-02 0.945E-02 RMM: 6 -0.329697648054E+03 0.58605E-04 -0.36179E-05 2960 0.184E-02 0.411E-02 RMM: 7 -0.329697663181E+03 -0.15127E-04 -0.38200E-05 2930 0.176E-02 6500 T= 6008. E= 0.66656150E+03 F= 0.61686157E+03 E0= 0.64461157E+03 EK= 0.49700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328486806800E+03 0.12108E+01 -0.17917E-01 8148 0.236E+01 0.206E-01 RMM: 2 -0.328498935833E+03 -0.12129E-01 -0.83213E-02 5248 0.638E-01 0.846E-01 RMM: 3 -0.328493414344E+03 0.55215E-02 -0.79158E-03 5541 0.184E-01 0.197E-01 RMM: 4 -0.328493166197E+03 0.24815E-03 -0.74855E-04 4662 0.598E-02 0.115E-01 RMM: 5 -0.328493093677E+03 0.72520E-04 -0.12223E-04 3857 0.271E-02 0.907E-02 RMM: 6 -0.328493049070E+03 0.44607E-04 -0.42099E-05 3114 0.193E-02 0.553E-02 RMM: 7 -0.328493087113E+03 -0.38043E-04 -0.77715E-05 3643 0.233E-02 0.983E-02 RMM: 8 -0.328493022136E+03 0.64978E-04 -0.48594E-05 3197 0.205E-02 0.286E-02 RMM: 9 -0.328493018047E+03 0.40884E-05 -0.10028E-05 2470 0.920E-03 6501 T= 6322. E= 0.67039375E+03 F= 0.61809225E+03 E0= 0.64585015E+03 EK= 0.52301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327287282240E+03 0.12057E+01 -0.18988E-01 7884 0.242E+01 0.191E-01 RMM: 2 -0.327298164127E+03 -0.10882E-01 -0.91055E-02 5174 0.676E-01 0.666E-01 RMM: 3 -0.327294692031E+03 0.34721E-02 -0.90042E-03 5841 0.180E-01 0.139E-01 RMM: 4 -0.327294584054E+03 0.10798E-03 -0.58556E-04 4609 0.553E-02 0.157E-01 RMM: 5 -0.327294398042E+03 0.18601E-03 -0.11532E-04 3784 0.276E-02 0.657E-02 RMM: 6 -0.327294375786E+03 0.22256E-04 -0.32665E-05 2876 0.173E-02 0.477E-02 RMM: 7 -0.327294383084E+03 -0.72984E-05 -0.47503E-05 3007 0.184E-02 6502 T= 6692. E= 0.67467791E+03 F= 0.61932016E+03 E0= 0.64710104E+03 EK= 0.55358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326146742681E+03 0.11476E+01 -0.19793E-01 7956 0.247E+01 0.193E-01 RMM: 2 -0.326157132442E+03 -0.10390E-01 -0.82804E-02 5222 0.664E-01 0.696E-01 RMM: 3 -0.326153454894E+03 0.36775E-02 -0.80280E-03 5749 0.176E-01 0.162E-01 RMM: 4 -0.326153313805E+03 0.14109E-03 -0.60363E-04 4644 0.565E-02 0.141E-01 RMM: 5 -0.326153174750E+03 0.13906E-03 -0.11298E-04 3787 0.269E-02 0.686E-02 RMM: 6 -0.326153157823E+03 0.16927E-04 -0.32797E-05 2910 0.173E-02 6503 T= 6989. E= 0.67831105E+03 F= 0.62049377E+03 E0= 0.64831322E+03 EK= 0.57817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325106972408E+03 0.10462E+01 -0.20836E-01 7632 0.250E+01 0.266E-01 RMM: 2 -0.325129650440E+03 -0.22678E-01 -0.12233E-01 4925 0.810E-01 0.132E+00 RMM: 3 -0.325117032424E+03 0.12618E-01 -0.14541E-02 5438 0.264E-01 0.223E-01 RMM: 4 -0.325116736448E+03 0.29598E-03 -0.13139E-03 4745 0.750E-02 0.129E-01 RMM: 5 -0.325116637164E+03 0.99284E-04 -0.18148E-04 3942 0.330E-02 0.942E-02 RMM: 6 -0.325116582792E+03 0.54372E-04 -0.50521E-05 3172 0.204E-02 0.505E-02 RMM: 7 -0.325116613921E+03 -0.31129E-04 -0.57195E-05 3377 0.215E-02 0.887E-02 RMM: 8 -0.325116560144E+03 0.53777E-04 -0.42854E-05 2913 0.183E-02 0.322E-02 RMM: 9 -0.325116555854E+03 0.42897E-05 -0.15718E-05 2483 0.121E-02 6504 T= 7091. E= 0.68022660E+03 F= 0.62156606E+03 E0= 0.64943927E+03 EK= 0.58661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324208643178E+03 0.90792E+00 -0.20474E-01 8040 0.249E+01 0.285E-01 RMM: 2 -0.324232114294E+03 -0.23471E-01 -0.11462E-01 5070 0.784E-01 0.143E+00 RMM: 3 -0.324217595324E+03 0.14519E-01 -0.13101E-02 5421 0.259E-01 0.263E-01 RMM: 4 -0.324217140971E+03 0.45435E-03 -0.14334E-03 4731 0.809E-02 0.127E-01 RMM: 5 -0.324217086603E+03 0.54368E-04 -0.19797E-04 3894 0.344E-02 0.116E-01 RMM: 6 -0.324216998667E+03 0.87936E-04 -0.57603E-05 3303 0.225E-02 0.404E-02 RMM: 7 -0.324217010160E+03 -0.11494E-04 -0.27867E-05 2636 0.157E-02 6505 T= 6950. E= 0.68000101E+03 F= 0.62250516E+03 E0= 0.65044290E+03 EK= 0.57496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323467435366E+03 0.74956E+00 -0.20818E-01 8328 0.244E+01 0.225E-01 RMM: 2 -0.323484704790E+03 -0.17269E-01 -0.11836E-01 5269 0.749E-01 0.980E-01 RMM: 3 -0.323476964466E+03 0.77403E-02 -0.10819E-02 5556 0.217E-01 0.197E-01 RMM: 4 -0.323476702765E+03 0.26170E-03 -0.92201E-04 4718 0.654E-02 0.127E-01 RMM: 5 -0.323476634390E+03 0.68374E-04 -0.14469E-04 3884 0.302E-02 0.104E-01 RMM: 6 -0.323476570729E+03 0.63662E-04 -0.52479E-05 3251 0.213E-02 0.556E-02 RMM: 7 -0.323476618791E+03 -0.48062E-04 -0.72830E-05 3563 0.226E-02 0.104E-01 RMM: 8 -0.323476548673E+03 0.70118E-04 -0.51275E-05 3213 0.212E-02 0.342E-02 RMM: 9 -0.323476543538E+03 0.51343E-05 -0.13499E-05 2487 0.109E-02 6506 T= 6630. E= 0.67813681E+03 F= 0.62328975E+03 E0= 0.65129845E+03 EK= 0.54847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322906097463E+03 0.57045E+00 -0.21336E-01 8568 0.238E+01 0.211E-01 RMM: 2 -0.322924109686E+03 -0.18012E-01 -0.13699E-01 5133 0.794E-01 0.914E-01 RMM: 3 -0.322917265743E+03 0.68439E-02 -0.12109E-02 5744 0.219E-01 0.164E-01 RMM: 4 -0.322917123461E+03 0.14228E-03 -0.84981E-04 4712 0.657E-02 0.166E-01 RMM: 5 -0.322916922773E+03 0.20069E-03 -0.15056E-04 3871 0.306E-02 0.752E-02 RMM: 6 -0.322916899803E+03 0.22970E-04 -0.48163E-05 3167 0.202E-02 0.590E-02 RMM: 7 -0.322916916833E+03 -0.17030E-04 -0.60680E-05 3411 0.208E-02 6507 T= 6263. E= 0.67571253E+03 F= 0.62389874E+03 E0= 0.65197914E+03 EK= 0.51814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322544929392E+03 0.37197E+00 -0.21562E-01 8508 0.231E+01 0.205E-01 RMM: 2 -0.322562273544E+03 -0.17344E-01 -0.14287E-01 5148 0.814E-01 0.801E-01 RMM: 3 -0.322556919598E+03 0.53539E-02 -0.13541E-02 5977 0.220E-01 0.175E-01 RMM: 4 -0.322556597603E+03 0.32200E-03 -0.75340E-04 4707 0.623E-02 0.133E-01 RMM: 5 -0.322556482464E+03 0.11514E-03 -0.12944E-04 3846 0.295E-02 0.854E-02 RMM: 6 -0.322556467499E+03 0.14965E-04 -0.51424E-05 3230 0.205E-02 6508 T= 5980. E= 0.67378301E+03 F= 0.62431410E+03 E0= 0.65246288E+03 EK= 0.49469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322388945665E+03 0.16754E+00 -0.21842E-01 8424 0.228E+01 0.329E-01 RMM: 2 -0.322419824945E+03 -0.30879E-01 -0.15233E-01 5174 0.834E-01 0.162E+00 RMM: 3 -0.322400592403E+03 0.19233E-01 -0.17312E-02 5410 0.297E-01 0.246E-01 RMM: 4 -0.322400209970E+03 0.38243E-03 -0.18668E-03 5149 0.784E-02 0.134E-01 RMM: 5 -0.322400103559E+03 0.10641E-03 -0.18281E-04 3909 0.348E-02 0.110E-01 RMM: 6 -0.322400036371E+03 0.67189E-04 -0.70353E-05 3435 0.236E-02 0.669E-02 RMM: 7 -0.322400097097E+03 -0.60726E-04 -0.95178E-05 3840 0.263E-02 0.117E-01 RMM: 8 -0.322400007485E+03 0.89612E-04 -0.74269E-05 3558 0.218E-02 0.409E-02 RMM: 9 -0.322399998762E+03 0.87229E-05 -0.16860E-05 2525 0.123E-02 6509 T= 5862. E= 0.67302331E+03 F= 0.62453080E+03 E0= 0.65274170E+03 EK= 0.48493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322417310383E+03 -0.17303E-01 -0.22900E-01 8832 0.228E+01 0.326E-01 RMM: 2 -0.322447751807E+03 -0.30441E-01 -0.16001E-01 4990 0.852E-01 0.155E+00 RMM: 3 -0.322430155392E+03 0.17596E-01 -0.17991E-02 5427 0.300E-01 0.325E-01 RMM: 4 -0.322429412914E+03 0.74248E-03 -0.19167E-03 4912 0.907E-02 0.132E-01 RMM: 5 -0.322429375871E+03 0.37043E-04 -0.26166E-04 3906 0.392E-02 0.132E-01 RMM: 6 -0.322429255341E+03 0.12053E-03 -0.72504E-05 3490 0.243E-02 0.432E-02 RMM: 7 -0.322429266673E+03 -0.11332E-04 -0.37523E-05 2974 0.171E-02 6510 T= 5937. E= 0.67367928E+03 F= 0.62456640E+03 E0= 0.65283205E+03 EK= 0.49113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322581198330E+03 -0.15194E+00 -0.24950E-01 8964 0.231E+01 0.240E-01 RMM: 2 -0.322605119167E+03 -0.23921E-01 -0.17229E-01 5199 0.856E-01 0.110E+00 RMM: 3 -0.322595293512E+03 0.98257E-02 -0.15048E-02 5605 0.245E-01 0.187E-01 RMM: 4 -0.322595079255E+03 0.21426E-03 -0.11771E-03 4777 0.726E-02 0.170E-01 RMM: 5 -0.322594900501E+03 0.17875E-03 -0.18903E-04 3917 0.326E-02 0.951E-02 RMM: 6 -0.322594859985E+03 0.40515E-04 -0.67029E-05 3415 0.227E-02 0.681E-02 RMM: 7 -0.322594910399E+03 -0.50413E-04 -0.92504E-05 3844 0.250E-02 0.114E-01 RMM: 8 -0.322594823411E+03 0.86988E-04 -0.60524E-05 3362 0.220E-02 0.302E-02 RMM: 9 -0.322594820712E+03 0.26986E-05 -0.13252E-05 2490 0.110E-02 6511 T= 6181. E= 0.67560159E+03 F= 0.62446939E+03 E0= 0.65278168E+03 EK= 0.51132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322795486778E+03 -0.20066E+00 -0.28344E-01 8940 0.236E+01 0.220E-01 RMM: 2 -0.322816886646E+03 -0.21400E-01 -0.19967E-01 5099 0.933E-01 0.669E-01 RMM: 3 -0.322812332238E+03 0.45544E-02 -0.17735E-02 6139 0.240E-01 0.160E-01 RMM: 4 -0.322812117188E+03 0.21505E-03 -0.98188E-04 4730 0.735E-02 0.219E-01 RMM: 5 -0.322811789983E+03 0.32721E-03 -0.22311E-04 3899 0.382E-02 0.855E-02 RMM: 6 -0.322811746272E+03 0.43712E-04 -0.52777E-05 3230 0.208E-02 0.444E-02 RMM: 7 -0.322811752967E+03 -0.66951E-05 -0.41508E-05 2785 0.181E-02 6512 T= 6517. E= 0.67823411E+03 F= 0.62432386E+03 E0= 0.65267400E+03 EK= 0.53910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322945586377E+03 -0.13384E+00 -0.31227E-01 8820 0.243E+01 0.233E-01 RMM: 2 -0.322970488625E+03 -0.24902E-01 -0.22829E-01 5230 0.992E-01 0.742E-01 RMM: 3 -0.322965039164E+03 0.54495E-02 -0.19643E-02 6128 0.247E-01 0.181E-01 RMM: 4 -0.322964695492E+03 0.34367E-03 -0.11534E-03 4774 0.795E-02 0.209E-01 RMM: 5 -0.322964391821E+03 0.30367E-03 -0.23669E-04 3908 0.386E-02 0.798E-02 RMM: 6 -0.322964370667E+03 0.21154E-04 -0.55488E-05 3253 0.209E-02 0.671E-02 RMM: 7 -0.322964383533E+03 -0.12865E-04 -0.79156E-05 3750 0.230E-02 6513 T= 6819. E= 0.68065556E+03 F= 0.62424516E+03 E0= 0.65262566E+03 EK= 0.56410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322906506551E+03 0.57864E-01 -0.32720E-01 8952 0.247E+01 0.226E-01 RMM: 2 -0.322932010328E+03 -0.25504E-01 -0.24704E-01 5329 0.101E+00 0.602E-01 RMM: 3 -0.322927595489E+03 0.44148E-02 -0.19900E-02 6141 0.241E-01 0.172E-01 RMM: 4 -0.322927388401E+03 0.20709E-03 -0.11515E-03 4785 0.796E-02 0.249E-01 RMM: 5 -0.322926959639E+03 0.42876E-03 -0.27487E-04 3930 0.421E-02 0.712E-02 RMM: 6 -0.322926936824E+03 0.22815E-04 -0.50774E-05 3200 0.202E-02 0.523E-02 RMM: 7 -0.322926926267E+03 0.10557E-04 -0.41968E-05 2700 0.179E-02 6514 T= 6953. E= 0.68188259E+03 F= 0.62435945E+03 E0= 0.65276283E+03 EK= 0.57523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322580822289E+03 0.34611E+00 -0.34070E-01 8976 0.248E+01 0.242E-01 RMM: 2 -0.322608616198E+03 -0.27794E-01 -0.23917E-01 5307 0.101E+00 0.896E-01 RMM: 3 -0.322601011333E+03 0.76049E-02 -0.18644E-02 5946 0.253E-01 0.172E-01 RMM: 4 -0.322600828714E+03 0.18262E-03 -0.12438E-03 4830 0.811E-02 0.229E-01 RMM: 5 -0.322600478118E+03 0.35060E-03 -0.26208E-04 3911 0.405E-02 0.861E-02 RMM: 6 -0.322600444037E+03 0.34082E-04 -0.68737E-05 3406 0.229E-02 0.617E-02 RMM: 7 -0.322600470858E+03 -0.26821E-04 -0.68403E-05 3635 0.214E-02 0.952E-02 RMM: 8 -0.322600409768E+03 0.61089E-04 -0.45889E-05 3138 0.197E-02 0.248E-02 RMM: 9 -0.322600415345E+03 -0.55766E-05 -0.15641E-05 2501 0.119E-02 6515 T= 6849. E= 0.68142619E+03 F= 0.62476661E+03 E0= 0.65318756E+03 EK= 0.56660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321926498036E+03 0.67391E+00 -0.31482E-01 8796 0.245E+01 0.217E-01 RMM: 2 -0.321948475478E+03 -0.21977E-01 -0.19930E-01 5780 0.884E-01 0.714E-01 RMM: 3 -0.321943011473E+03 0.54640E-02 -0.11724E-02 5797 0.209E-01 0.145E-01 RMM: 4 -0.321943065761E+03 -0.54289E-04 -0.93105E-04 4702 0.701E-02 0.232E-01 RMM: 5 -0.321942697925E+03 0.36784E-03 -0.23169E-04 3905 0.386E-02 0.719E-02 RMM: 6 -0.321942674178E+03 0.23747E-04 -0.54587E-05 3241 0.212E-02 0.521E-02 RMM: 7 -0.321942693185E+03 -0.19007E-04 -0.48777E-05 3141 0.197E-02 6516 T= 6545. E= 0.67965362E+03 F= 0.62550994E+03 E0= 0.65394408E+03 EK= 0.54144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320958680717E+03 0.98399E+00 -0.28465E-01 8832 0.239E+01 0.227E-01 RMM: 2 -0.320979411905E+03 -0.20731E-01 -0.17816E-01 5666 0.849E-01 0.815E-01 RMM: 3 -0.320973258941E+03 0.61530E-02 -0.11542E-02 6076 0.208E-01 0.177E-01 RMM: 4 -0.320973068830E+03 0.19011E-03 -0.84523E-04 4694 0.661E-02 0.176E-01 RMM: 5 -0.320972863339E+03 0.20549E-03 -0.17815E-04 3890 0.340E-02 0.828E-02 RMM: 6 -0.320972847379E+03 0.15961E-04 -0.64563E-05 3405 0.228E-02 6517 T= 6164. E= 0.67756278E+03 F= 0.62657123E+03 E0= 0.65501678E+03 EK= 0.50992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319738077745E+03 0.12348E+01 -0.27097E-01 8844 0.233E+01 0.346E-01 RMM: 2 -0.319777281319E+03 -0.39204E-01 -0.18575E-01 5207 0.912E-01 0.182E+00 RMM: 3 -0.319752638108E+03 0.24643E-01 -0.18389E-02 5400 0.305E-01 0.283E-01 RMM: 4 -0.319752127248E+03 0.51086E-03 -0.19750E-03 5013 0.869E-02 0.148E-01 RMM: 5 -0.319752046550E+03 0.80699E-04 -0.28437E-04 3927 0.423E-02 0.137E-01 RMM: 6 -0.319751938092E+03 0.10846E-03 -0.12378E-04 3857 0.305E-02 0.682E-02 RMM: 7 -0.319751996085E+03 -0.57993E-04 -0.97507E-05 3759 0.267E-02 0.115E-01 RMM: 8 -0.319751912688E+03 0.83397E-04 -0.51395E-05 3252 0.212E-02 0.363E-02 RMM: 9 -0.319751907678E+03 0.50103E-05 -0.14799E-05 2503 0.115E-02 6518 T= 5842. E= 0.67621452E+03 F= 0.62788959E+03 E0= 0.65634460E+03 EK= 0.48325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318344050463E+03 0.14079E+01 -0.23840E-01 8964 0.229E+01 0.328E-01 RMM: 2 -0.318377401383E+03 -0.33351E-01 -0.16073E-01 5274 0.852E-01 0.166E+00 RMM: 3 -0.318356730804E+03 0.20671E-01 -0.16214E-02 5385 0.289E-01 0.331E-01 RMM: 4 -0.318355968222E+03 0.76258E-03 -0.19102E-03 4923 0.904E-02 0.126E-01 RMM: 5 -0.318355939963E+03 0.28259E-04 -0.27529E-04 3904 0.417E-02 0.136E-01 RMM: 6 -0.318355817973E+03 0.12199E-03 -0.89767E-05 3695 0.266E-02 0.485E-02 RMM: 7 -0.318355851873E+03 -0.33900E-04 -0.61747E-05 3368 0.209E-02 0.926E-02 RMM: 8 -0.318355797091E+03 0.54783E-04 -0.51139E-05 3241 0.219E-02 0.280E-02 RMM: 9 -0.318355794651E+03 0.24399E-05 -0.10913E-05 2477 0.961E-03 6519 T= 5676. E= 0.67634631E+03 F= 0.62938829E+03 E0= 0.65785125E+03 EK= 0.46958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316842032288E+03 0.15138E+01 -0.22927E-01 8928 0.229E+01 0.242E-01 RMM: 2 -0.316865155129E+03 -0.23123E-01 -0.15778E-01 5182 0.851E-01 0.113E+00 RMM: 3 -0.316855016721E+03 0.10138E-01 -0.13935E-02 5637 0.239E-01 0.196E-01 RMM: 4 -0.316854738794E+03 0.27793E-03 -0.10931E-03 4735 0.723E-02 0.153E-01 RMM: 5 -0.316854612934E+03 0.12586E-03 -0.20575E-04 3892 0.368E-02 0.109E-01 RMM: 6 -0.316854552270E+03 0.60664E-04 -0.85672E-05 3599 0.257E-02 0.668E-02 RMM: 7 -0.316854600210E+03 -0.47940E-04 -0.94023E-05 3849 0.262E-02 0.110E-01 RMM: 8 -0.316854518960E+03 0.81250E-04 -0.45233E-05 3188 0.202E-02 0.255E-02 RMM: 9 -0.316854519486E+03 -0.52604E-06 -0.12084E-05 2489 0.100E-02 6520 T= 5719. E= 0.67830406E+03 F= 0.63099564E+03 E0= 0.65946541E+03 EK= 0.47308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315297124737E+03 0.15574E+01 -0.21536E-01 8940 0.233E+01 0.244E-01 RMM: 2 -0.315316446115E+03 -0.19321E-01 -0.14555E-01 5313 0.824E-01 0.984E-01 RMM: 3 -0.315308831997E+03 0.76141E-02 -0.12873E-02 5920 0.222E-01 0.164E-01 RMM: 4 -0.315308648280E+03 0.18372E-03 -0.88720E-04 4713 0.654E-02 0.170E-01 RMM: 5 -0.315308462796E+03 0.18548E-03 -0.16591E-04 3883 0.321E-02 0.960E-02 RMM: 6 -0.315308416504E+03 0.46292E-04 -0.74291E-05 3497 0.244E-02 0.581E-02 RMM: 7 -0.315308448596E+03 -0.32092E-04 -0.63761E-05 3441 0.212E-02 0.979E-02 RMM: 8 -0.315308385860E+03 0.62736E-04 -0.35225E-05 2924 0.182E-02 0.222E-02 RMM: 9 -0.315308387774E+03 -0.19136E-05 -0.12252E-05 2472 0.100E-02 6521 T= 5974. E= 0.68207103E+03 F= 0.63264925E+03 E0= 0.66112480E+03 EK= 0.49422E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313766117497E+03 0.15423E+01 -0.21540E-01 8592 0.240E+01 0.218E-01 RMM: 2 -0.313784537550E+03 -0.18420E-01 -0.15403E-01 5319 0.849E-01 0.823E-01 RMM: 3 -0.313778873995E+03 0.56636E-02 -0.12941E-02 6005 0.214E-01 0.176E-01 RMM: 4 -0.313778648947E+03 0.22505E-03 -0.85942E-04 4693 0.690E-02 0.179E-01 RMM: 5 -0.313778442211E+03 0.20674E-03 -0.18195E-04 3891 0.338E-02 0.928E-02 RMM: 6 -0.313778399288E+03 0.42923E-04 -0.56376E-05 3305 0.216E-02 0.589E-02 RMM: 7 -0.313778430149E+03 -0.30861E-04 -0.82848E-05 3780 0.241E-02 0.969E-02 RMM: 8 -0.313778366771E+03 0.63379E-04 -0.38641E-05 3055 0.183E-02 0.220E-02 RMM: 9 -0.313778368324E+03 -0.15528E-05 -0.11526E-05 2474 0.968E-03 6522 T= 6396. E= 0.68720226E+03 F= 0.63428642E+03 E0= 0.66276699E+03 EK= 0.52916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312328030060E+03 0.14503E+01 -0.22217E-01 8616 0.248E+01 0.247E-01 RMM: 2 -0.312347450654E+03 -0.19421E-01 -0.15572E-01 5252 0.880E-01 0.927E-01 RMM: 3 -0.312340822203E+03 0.66285E-02 -0.14419E-02 5956 0.228E-01 0.170E-01 RMM: 4 -0.312340660437E+03 0.16177E-03 -0.94533E-04 4727 0.713E-02 0.204E-01 RMM: 5 -0.312340379725E+03 0.28071E-03 -0.19183E-04 3883 0.337E-02 0.979E-02 RMM: 6 -0.312340330842E+03 0.48884E-04 -0.70455E-05 3451 0.239E-02 0.582E-02 RMM: 7 -0.312340365677E+03 -0.34835E-04 -0.72309E-05 3640 0.223E-02 0.102E-01 RMM: 8 -0.312340296451E+03 0.69226E-04 -0.46226E-05 3112 0.196E-02 0.266E-02 RMM: 9 -0.312340296846E+03 -0.39534E-06 -0.14578E-05 2486 0.112E-02 6523 T= 6872. E= 0.69268126E+03 F= 0.63583055E+03 E0= 0.66431584E+03 EK= 0.56851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311078559267E+03 0.12617E+01 -0.23199E-01 8052 0.254E+01 0.248E-01 RMM: 2 -0.311098829977E+03 -0.20271E-01 -0.16620E-01 5180 0.933E-01 0.918E-01 RMM: 3 -0.311092563227E+03 0.62668E-02 -0.16096E-02 5994 0.238E-01 0.188E-01 RMM: 4 -0.311092315074E+03 0.24815E-03 -0.10471E-03 4783 0.776E-02 0.207E-01 RMM: 5 -0.311092038857E+03 0.27622E-03 -0.22170E-04 3899 0.372E-02 0.103E-01 RMM: 6 -0.311091980671E+03 0.58186E-04 -0.63843E-05 3367 0.231E-02 0.572E-02 RMM: 7 -0.311092014226E+03 -0.33556E-04 -0.77671E-05 3704 0.237E-02 0.983E-02 RMM: 8 -0.311091948539E+03 0.65687E-04 -0.45378E-05 3103 0.191E-02 0.274E-02 RMM: 9 -0.311091948787E+03 -0.24812E-06 -0.14520E-05 2488 0.111E-02 6524 T= 7229. E= 0.69698826E+03 F= 0.63718436E+03 E0= 0.66567463E+03 EK= 0.59804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310132798610E+03 0.95915E+00 -0.23803E-01 7944 0.257E+01 0.267E-01 RMM: 2 -0.310154456673E+03 -0.21658E-01 -0.16250E-01 5137 0.933E-01 0.105E+00 RMM: 3 -0.310146412351E+03 0.80443E-02 -0.16920E-02 5892 0.247E-01 0.192E-01 RMM: 4 -0.310146180241E+03 0.23211E-03 -0.11465E-03 4805 0.796E-02 0.214E-01 RMM: 5 -0.310145893288E+03 0.28695E-03 -0.23000E-04 3893 0.369E-02 0.110E-01 RMM: 6 -0.310145826027E+03 0.67262E-04 -0.78076E-05 3512 0.252E-02 0.573E-02 RMM: 7 -0.310145863650E+03 -0.37623E-04 -0.70710E-05 3577 0.225E-02 0.102E-01 RMM: 8 -0.310145795530E+03 0.68120E-04 -0.50815E-05 3185 0.204E-02 0.302E-02 RMM: 9 -0.310145794138E+03 0.13916E-05 -0.14994E-05 2488 0.114E-02 6525 T= 7311. E= 0.69871808E+03 F= 0.63823713E+03 E0= 0.66673320E+03 EK= 0.60481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309587643197E+03 0.55815E+00 -0.23382E-01 7824 0.255E+01 0.246E-01 RMM: 2 -0.309607862915E+03 -0.20220E-01 -0.15513E-01 5121 0.910E-01 0.995E-01 RMM: 3 -0.309600700173E+03 0.71627E-02 -0.15864E-02 5878 0.234E-01 0.177E-01 RMM: 4 -0.309600484322E+03 0.21585E-03 -0.10648E-03 4795 0.785E-02 0.206E-01 RMM: 5 -0.309600221842E+03 0.26248E-03 -0.22760E-04 3883 0.383E-02 0.104E-01 RMM: 6 -0.309600165924E+03 0.55918E-04 -0.74558E-05 3481 0.245E-02 0.620E-02 RMM: 7 -0.309600206069E+03 -0.40145E-04 -0.81177E-05 3765 0.244E-02 0.104E-01 RMM: 8 -0.309600135190E+03 0.70879E-04 -0.43280E-05 3121 0.195E-02 0.273E-02 RMM: 9 -0.309600135375E+03 -0.18555E-06 -0.12430E-05 2481 0.102E-02 6526 T= 7082. E= 0.69748321E+03 F= 0.63889302E+03 E0= 0.66739644E+03 EK= 0.58590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309494418917E+03 0.10572E+00 -0.21977E-01 7716 0.248E+01 0.239E-01 RMM: 2 -0.309512895196E+03 -0.18476E-01 -0.13592E-01 5032 0.863E-01 0.975E-01 RMM: 3 -0.309505760585E+03 0.71346E-02 -0.14251E-02 5804 0.233E-01 0.183E-01 RMM: 4 -0.309505567336E+03 0.19325E-03 -0.98924E-04 4786 0.751E-02 0.191E-01 RMM: 5 -0.309505359719E+03 0.20762E-03 -0.21575E-04 3899 0.383E-02 0.113E-01 RMM: 6 -0.309505295849E+03 0.63870E-04 -0.87807E-05 3606 0.266E-02 0.640E-02 RMM: 7 -0.309505341645E+03 -0.45796E-04 -0.78724E-05 3655 0.240E-02 0.108E-01 RMM: 8 -0.309505265758E+03 0.75886E-04 -0.44228E-05 3140 0.204E-02 0.263E-02 RMM: 9 -0.309505266712E+03 -0.95317E-06 -0.12577E-05 2480 0.103E-02 6527 T= 6657. E= 0.69417861E+03 F= 0.63910425E+03 E0= 0.66761734E+03 EK= 0.55074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309842235301E+03 -0.33697E+00 -0.20487E-01 7884 0.240E+01 0.224E-01 RMM: 2 -0.309859698232E+03 -0.17463E-01 -0.13709E-01 4913 0.868E-01 0.891E-01 RMM: 3 -0.309853879761E+03 0.58185E-02 -0.15099E-02 5908 0.233E-01 0.177E-01 RMM: 4 -0.309853616158E+03 0.26360E-03 -0.97284E-04 4796 0.762E-02 0.177E-01 RMM: 5 -0.309853431873E+03 0.18429E-03 -0.22360E-04 3917 0.404E-02 0.100E-01 RMM: 6 -0.309853396860E+03 0.35013E-04 -0.85697E-05 3582 0.261E-02 0.759E-02 RMM: 7 -0.309853426302E+03 -0.29443E-04 -0.73437E-05 3631 0.238E-02 0.102E-01 RMM: 8 -0.309853358853E+03 0.67449E-04 -0.36772E-05 3032 0.190E-02 0.266E-02 RMM: 9 -0.309853360709E+03 -0.18560E-05 -0.11692E-05 2479 0.978E-03 6528 T= 6215. E= 0.69029646E+03 F= 0.63888049E+03 E0= 0.66740632E+03 EK= 0.51416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310579165352E+03 -0.72581E+00 -0.19792E-01 7980 0.233E+01 0.222E-01 RMM: 2 -0.310595835392E+03 -0.16670E-01 -0.13282E-01 4974 0.839E-01 0.843E-01 RMM: 3 -0.310590263626E+03 0.55718E-02 -0.13847E-02 5795 0.226E-01 0.184E-01 RMM: 4 -0.310590035361E+03 0.22826E-03 -0.94024E-04 4797 0.729E-02 0.182E-01 RMM: 5 -0.310589862709E+03 0.17265E-03 -0.22291E-04 3912 0.400E-02 0.116E-01 RMM: 6 -0.310589796830E+03 0.65879E-04 -0.90806E-05 3638 0.270E-02 0.672E-02 RMM: 7 -0.310589841132E+03 -0.44302E-04 -0.76127E-05 3606 0.236E-02 0.107E-01 RMM: 8 -0.310589767350E+03 0.73782E-04 -0.42999E-05 3140 0.208E-02 0.255E-02 RMM: 9 -0.310589769143E+03 -0.17932E-05 -0.12371E-05 2476 0.101E-02 6529 T= 5901. E= 0.68709203E+03 F= 0.63827699E+03 E0= 0.66681936E+03 EK= 0.48815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311623419915E+03 -0.10337E+01 -0.18527E-01 8376 0.230E+01 0.228E-01 RMM: 2 -0.311637028537E+03 -0.13609E-01 -0.10433E-01 5162 0.731E-01 0.842E-01 RMM: 3 -0.311631687047E+03 0.53415E-02 -0.98549E-03 5751 0.197E-01 0.183E-01 RMM: 4 -0.311631560953E+03 0.12609E-03 -0.89099E-04 4691 0.713E-02 0.190E-01 RMM: 5 -0.311631342292E+03 0.21866E-03 -0.22340E-04 3885 0.394E-02 0.101E-01 RMM: 6 -0.311631299190E+03 0.43102E-04 -0.78251E-05 3545 0.255E-02 0.691E-02 RMM: 7 -0.311631336099E+03 -0.36909E-04 -0.68456E-05 3527 0.225E-02 0.102E-01 RMM: 8 -0.311631269814E+03 0.66285E-04 -0.38324E-05 3046 0.198E-02 0.294E-02 RMM: 9 -0.311631267591E+03 0.22229E-05 -0.10504E-05 2474 0.934E-03 6530 T= 5788. E= 0.68525739E+03 F= 0.63737617E+03 E0= 0.66593888E+03 EK= 0.47881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312867936380E+03 -0.12367E+01 -0.19373E-01 8400 0.230E+01 0.235E-01 RMM: 2 -0.312882166462E+03 -0.14230E-01 -0.11540E-01 5274 0.745E-01 0.799E-01 RMM: 3 -0.312876862824E+03 0.53036E-02 -0.10059E-02 5671 0.196E-01 0.175E-01 RMM: 4 -0.312876912267E+03 -0.49443E-04 -0.94839E-04 4756 0.725E-02 0.239E-01 RMM: 5 -0.312876570107E+03 0.34216E-03 -0.23672E-04 3894 0.389E-02 0.116E-01 RMM: 6 -0.312876495080E+03 0.75027E-04 -0.81171E-05 3565 0.256E-02 0.582E-02 RMM: 7 -0.312876545163E+03 -0.50083E-04 -0.70974E-05 3566 0.224E-02 0.106E-01 RMM: 8 -0.312876472214E+03 0.72950E-04 -0.43145E-05 3115 0.204E-02 0.268E-02 RMM: 9 -0.312876470924E+03 0.12894E-05 -0.11986E-05 2475 0.100E-02 6531 T= 5887. E= 0.68498064E+03 F= 0.63627751E+03 E0= 0.66486448E+03 EK= 0.48703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314202499354E+03 -0.13260E+01 -0.19677E-01 8724 0.234E+01 0.238E-01 RMM: 2 -0.314214600076E+03 -0.12101E-01 -0.10510E-01 5380 0.696E-01 0.707E-01 RMM: 3 -0.314210293327E+03 0.43067E-02 -0.78488E-03 5716 0.179E-01 0.188E-01 RMM: 4 -0.314210411632E+03 -0.11831E-03 -0.94434E-04 4682 0.733E-02 0.253E-01 RMM: 5 -0.314209986372E+03 0.42526E-03 -0.25613E-04 3884 0.399E-02 0.970E-02 RMM: 6 -0.314209937273E+03 0.49099E-04 -0.58920E-05 3360 0.222E-02 0.561E-02 RMM: 7 -0.314209968453E+03 -0.31181E-04 -0.65032E-05 3509 0.214E-02 0.923E-02 RMM: 8 -0.314209913541E+03 0.54912E-04 -0.39718E-05 3050 0.190E-02 0.247E-02 RMM: 9 -0.314209913838E+03 -0.29658E-06 -0.11064E-05 2478 0.954E-03 6532 T= 6158. E= 0.68603851E+03 F= 0.63509429E+03 E0= 0.66370891E+03 EK= 0.50944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315500961290E+03 -0.12910E+01 -0.20969E-01 8856 0.239E+01 0.263E-01 RMM: 2 -0.315514003355E+03 -0.13042E-01 -0.11331E-01 5475 0.717E-01 0.756E-01 RMM: 3 -0.315509163459E+03 0.48399E-02 -0.85594E-03 5870 0.186E-01 0.168E-01 RMM: 4 -0.315509388297E+03 -0.22484E-03 -0.95607E-04 4655 0.725E-02 0.280E-01 RMM: 5 -0.315508864799E+03 0.52350E-03 -0.27984E-04 3905 0.424E-02 0.975E-02 RMM: 6 -0.315508812062E+03 0.52737E-04 -0.69849E-05 3472 0.234E-02 0.539E-02 RMM: 7 -0.315508845853E+03 -0.33791E-04 -0.64143E-05 3517 0.213E-02 0.956E-02 RMM: 8 -0.315508788927E+03 0.56925E-04 -0.34812E-05 2904 0.177E-02 0.278E-02 RMM: 9 -0.315508789182E+03 -0.25470E-06 -0.14102E-05 2483 0.108E-02 6533 T= 6510. E= 0.68780335E+03 F= 0.63394764E+03 E0= 0.66259249E+03 EK= 0.53856E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316650659344E+03 -0.11419E+01 -0.22416E-01 8964 0.245E+01 0.259E-01 RMM: 2 -0.316664797164E+03 -0.14138E-01 -0.12967E-01 5430 0.766E-01 0.701E-01 RMM: 3 -0.316660498492E+03 0.42987E-02 -0.99889E-03 6005 0.192E-01 0.198E-01 RMM: 4 -0.316660658904E+03 -0.16041E-03 -0.10149E-03 4669 0.770E-02 0.295E-01 RMM: 5 -0.316660071898E+03 0.58701E-03 -0.30799E-04 3918 0.438E-02 0.946E-02 RMM: 6 -0.316660025874E+03 0.46024E-04 -0.67315E-05 3436 0.233E-02 0.548E-02 RMM: 7 -0.316660054156E+03 -0.28282E-04 -0.61377E-05 3433 0.204E-02 0.923E-02 RMM: 8 -0.316660000508E+03 0.53648E-04 -0.40569E-05 3034 0.190E-02 0.259E-02 RMM: 9 -0.316660002301E+03 -0.17930E-05 -0.13388E-05 2487 0.105E-02 6534 T= 6812. E= 0.68930745E+03 F= 0.63295023E+03 E0= 0.66162645E+03 EK= 0.56357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317577187938E+03 -0.91719E+00 -0.23153E-01 8916 0.248E+01 0.271E-01 RMM: 2 -0.317592864740E+03 -0.15677E-01 -0.13179E-01 5515 0.769E-01 0.840E-01 RMM: 3 -0.317586997320E+03 0.58674E-02 -0.96839E-03 5973 0.193E-01 0.186E-01 RMM: 4 -0.317587174177E+03 -0.17686E-03 -0.10850E-03 4661 0.790E-02 0.285E-01 RMM: 5 -0.317586635734E+03 0.53844E-03 -0.29896E-04 3901 0.433E-02 0.107E-01 RMM: 6 -0.317586572294E+03 0.63439E-04 -0.82853E-05 3550 0.257E-02 0.553E-02 RMM: 7 -0.317586615209E+03 -0.42914E-04 -0.68187E-05 3580 0.221E-02 0.102E-01 RMM: 8 -0.317586548610E+03 0.66598E-04 -0.37818E-05 2987 0.185E-02 0.279E-02 RMM: 9 -0.317586548003E+03 0.60740E-06 -0.12766E-05 2483 0.101E-02 6535 T= 6938. E= 0.68957877E+03 F= 0.63218000E+03 E0= 0.66088722E+03 EK= 0.57399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318260704076E+03 -0.67416E+00 -0.24186E-01 8880 0.247E+01 0.255E-01 RMM: 2 -0.318277686319E+03 -0.16982E-01 -0.14252E-01 5425 0.806E-01 0.835E-01 RMM: 3 -0.318271818852E+03 0.58675E-02 -0.10890E-02 5953 0.201E-01 0.178E-01 RMM: 4 -0.318271924578E+03 -0.10573E-03 -0.10387E-03 4678 0.782E-02 0.270E-01 RMM: 5 -0.318271458771E+03 0.46581E-03 -0.28748E-04 3893 0.424E-02 0.109E-01 RMM: 6 -0.318271400765E+03 0.58006E-04 -0.89393E-05 3624 0.266E-02 0.652E-02 RMM: 7 -0.318271443047E+03 -0.42283E-04 -0.76625E-05 3632 0.234E-02 0.105E-01 RMM: 8 -0.318271370989E+03 0.72058E-04 -0.41916E-05 3125 0.199E-02 0.267E-02 RMM: 9 -0.318271370922E+03 0.67128E-07 -0.11161E-05 2481 0.949E-03 6536 T= 6833. E= 0.68818579E+03 F= 0.63165594E+03 E0= 0.66039231E+03 EK= 0.56530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318748948980E+03 -0.47758E+00 -0.23121E-01 8880 0.243E+01 0.247E-01 RMM: 2 -0.318765491119E+03 -0.16542E-01 -0.13356E-01 5547 0.769E-01 0.871E-01 RMM: 3 -0.318759097545E+03 0.63936E-02 -0.92676E-03 5990 0.190E-01 0.177E-01 RMM: 4 -0.318759119773E+03 -0.22228E-04 -0.92992E-04 4672 0.729E-02 0.235E-01 RMM: 5 -0.318758774503E+03 0.34527E-03 -0.26769E-04 3896 0.423E-02 0.113E-01 RMM: 6 -0.318758720878E+03 0.53625E-04 -0.11159E-04 3828 0.294E-02 0.762E-02 RMM: 7 -0.318758764060E+03 -0.43181E-04 -0.77766E-05 3639 0.242E-02 0.112E-01 RMM: 8 -0.318758682071E+03 0.81989E-04 -0.42148E-05 3132 0.202E-02 0.273E-02 RMM: 9 -0.318758682545E+03 -0.47436E-06 -0.11262E-05 2486 0.945E-03 6537 T= 6550. E= 0.68552495E+03 F= 0.63133604E+03 E0= 0.66009786E+03 EK= 0.54189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319116726180E+03 -0.35804E+00 -0.22184E-01 8856 0.237E+01 0.233E-01 RMM: 2 -0.319133024859E+03 -0.16299E-01 -0.13390E-01 5389 0.781E-01 0.824E-01 RMM: 3 -0.319127230077E+03 0.57948E-02 -0.10331E-02 5904 0.197E-01 0.171E-01 RMM: 4 -0.319127182392E+03 0.47685E-04 -0.88024E-04 4677 0.711E-02 0.220E-01 RMM: 5 -0.319126887709E+03 0.29468E-03 -0.27891E-04 3936 0.443E-02 0.112E-01 RMM: 6 -0.319126851730E+03 0.35979E-04 -0.12076E-04 3864 0.300E-02 0.901E-02 RMM: 7 -0.319126872427E+03 -0.20697E-04 -0.80937E-05 3610 0.249E-02 0.107E-01 RMM: 8 -0.319126798509E+03 0.73918E-04 -0.41469E-05 3135 0.203E-02 0.261E-02 RMM: 9 -0.319126801979E+03 -0.34696E-05 -0.11725E-05 2488 0.970E-03 6538 T= 6213. E= 0.68253971E+03 F= 0.63114352E+03 E0= 0.65992604E+03 EK= 0.51396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319442319378E+03 -0.31552E+00 -0.20865E-01 8904 0.232E+01 0.241E-01 RMM: 2 -0.319458490301E+03 -0.16171E-01 -0.12344E-01 5303 0.764E-01 0.910E-01 RMM: 3 -0.319451979619E+03 0.65107E-02 -0.10178E-02 5864 0.199E-01 0.187E-01 RMM: 4 -0.319451864185E+03 0.11543E-03 -0.90186E-04 4671 0.717E-02 0.207E-01 RMM: 5 -0.319451609338E+03 0.25485E-03 -0.29256E-04 3984 0.462E-02 0.117E-01 RMM: 6 -0.319451567835E+03 0.41504E-04 -0.13561E-04 3877 0.319E-02 0.913E-02 RMM: 7 -0.319451592570E+03 -0.24736E-04 -0.76842E-05 3593 0.246E-02 0.110E-01 RMM: 8 -0.319451513461E+03 0.79109E-04 -0.42393E-05 3155 0.203E-02 0.268E-02 RMM: 9 -0.319451516361E+03 -0.28993E-05 -0.11910E-05 2487 0.990E-03 6539 T= 5945. E= 0.68018032E+03 F= 0.63100282E+03 E0= 0.65980006E+03 EK= 0.49178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319770500534E+03 -0.31899E+00 -0.20105E-01 8556 0.229E+01 0.234E-01 RMM: 2 -0.319784619711E+03 -0.14119E-01 -0.11801E-01 5219 0.751E-01 0.767E-01 RMM: 3 -0.319779747261E+03 0.48725E-02 -0.10278E-02 5911 0.198E-01 0.174E-01 RMM: 4 -0.319779748348E+03 -0.10874E-05 -0.90895E-04 4691 0.734E-02 0.235E-01 RMM: 5 -0.319779405851E+03 0.34250E-03 -0.30232E-04 3987 0.462E-02 0.109E-01 RMM: 6 -0.319779375316E+03 0.30535E-04 -0.11899E-04 3856 0.298E-02 0.904E-02 RMM: 7 -0.319779393208E+03 -0.17892E-04 -0.73008E-05 3533 0.238E-02 6540 T= 5827. E= 0.67906842E+03 F= 0.63086603E+03 E0= 0.65967099E+03 EK= 0.48202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320106625567E+03 -0.32725E+00 -0.19573E-01 8256 0.229E+01 0.271E-01 RMM: 2 -0.320121448167E+03 -0.14823E-01 -0.12070E-01 5057 0.769E-01 0.842E-01 RMM: 3 -0.320116169138E+03 0.52790E-02 -0.12311E-02 5884 0.210E-01 0.214E-01 RMM: 4 -0.320116130631E+03 0.38507E-04 -0.11420E-03 4728 0.817E-02 0.270E-01 RMM: 5 -0.320115658342E+03 0.47229E-03 -0.35301E-04 4076 0.488E-02 0.106E-01 RMM: 6 -0.320115644252E+03 0.14090E-04 -0.11936E-04 3855 0.294E-02 6541 T= 5888. E= 0.67943884E+03 F= 0.63072543E+03 E0= 0.65953133E+03 EK= 0.48713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320414236559E+03 -0.29858E+00 -0.20655E-01 7956 0.233E+01 0.371E-01 RMM: 2 -0.320442114687E+03 -0.27878E-01 -0.13654E-01 5001 0.833E-01 0.159E+00 RMM: 3 -0.320424419498E+03 0.17695E-01 -0.17375E-02 5410 0.298E-01 0.315E-01 RMM: 4 -0.320423884375E+03 0.53512E-03 -0.19836E-03 4937 0.938E-02 0.201E-01 RMM: 5 -0.320423835908E+03 0.48467E-04 -0.42243E-04 4154 0.495E-02 0.198E-01 RMM: 6 -0.320423579852E+03 0.25606E-03 -0.18437E-04 3891 0.377E-02 0.625E-02 RMM: 7 -0.320423618918E+03 -0.39065E-04 -0.72060E-05 3500 0.227E-02 0.994E-02 RMM: 8 -0.320423569665E+03 0.49253E-04 -0.34491E-05 2957 0.187E-02 0.502E-02 RMM: 9 -0.320423555694E+03 0.13971E-04 -0.14427E-05 2513 0.116E-02 6542 T= 6111. E= 0.68116617E+03 F= 0.63061483E+03 E0= 0.65941591E+03 EK= 0.50551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320623251214E+03 -0.19968E+00 -0.20486E-01 8112 0.239E+01 0.373E-01 RMM: 2 -0.320649091651E+03 -0.25840E-01 -0.12317E-01 5067 0.797E-01 0.157E+00 RMM: 3 -0.320632178005E+03 0.16914E-01 -0.15982E-02 5380 0.293E-01 0.328E-01 RMM: 4 -0.320631729834E+03 0.44817E-03 -0.21565E-03 4966 0.101E-01 0.238E-01 RMM: 5 -0.320631485740E+03 0.24409E-03 -0.37264E-04 3952 0.470E-02 0.169E-01 RMM: 6 -0.320631295292E+03 0.19045E-03 -0.11255E-04 3806 0.299E-02 0.449E-02 RMM: 7 -0.320631313284E+03 -0.17992E-04 -0.43497E-05 3116 0.180E-02 6543 T= 6425. E= 0.68375988E+03 F= 0.63060388E+03 E0= 0.65939254E+03 EK= 0.53156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320644787621E+03 -0.13492E-01 -0.20874E-01 8808 0.244E+01 0.315E-01 RMM: 2 -0.320663469805E+03 -0.18682E-01 -0.11669E-01 5314 0.740E-01 0.117E+00 RMM: 3 -0.320653313436E+03 0.10156E-01 -0.10607E-02 5454 0.218E-01 0.244E-01 RMM: 4 -0.320653501367E+03 -0.18793E-03 -0.16764E-03 4755 0.955E-02 0.319E-01 RMM: 5 -0.320652931200E+03 0.57017E-03 -0.41661E-04 4112 0.515E-02 0.156E-01 RMM: 6 -0.320652773760E+03 0.15744E-03 -0.11948E-04 3818 0.301E-02 0.565E-02 RMM: 7 -0.320652822276E+03 -0.48516E-04 -0.83669E-05 3623 0.243E-02 0.107E-01 RMM: 8 -0.320652751314E+03 0.70962E-04 -0.45673E-05 3172 0.207E-02 0.348E-02 RMM: 9 -0.320652748523E+03 0.27909E-05 -0.13129E-05 2503 0.105E-02 6544 T= 6722. E= 0.68638791E+03 F= 0.63077795E+03 E0= 0.65954946E+03 EK= 0.55610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320406222682E+03 0.24653E+00 -0.23152E-01 8244 0.248E+01 0.301E-01 RMM: 2 -0.320425413448E+03 -0.19191E-01 -0.15014E-01 5057 0.866E-01 0.101E+00 RMM: 3 -0.320417880907E+03 0.75325E-02 -0.14986E-02 5654 0.245E-01 0.196E-01 RMM: 4 -0.320418231316E+03 -0.35041E-03 -0.14923E-03 4903 0.902E-02 0.341E-01 RMM: 5 -0.320417488825E+03 0.74249E-03 -0.38684E-04 4058 0.485E-02 0.127E-01 RMM: 6 -0.320417390081E+03 0.98744E-04 -0.11069E-04 3767 0.286E-02 0.503E-02 RMM: 7 -0.320417428985E+03 -0.38904E-04 -0.53648E-05 3280 0.200E-02 0.948E-02 RMM: 8 -0.320417370443E+03 0.58542E-04 -0.35303E-05 2901 0.184E-02 0.248E-02 RMM: 9 -0.320417373161E+03 -0.27189E-05 -0.12676E-05 2483 0.101E-02 6545 T= 6879. E= 0.68811680E+03 F= 0.63120841E+03 E0= 0.65996001E+03 EK= 0.56908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319892725619E+03 0.52464E+00 -0.22146E-01 8508 0.249E+01 0.273E-01 RMM: 2 -0.319907698139E+03 -0.14973E-01 -0.13139E-01 5233 0.783E-01 0.768E-01 RMM: 3 -0.319902751109E+03 0.49470E-02 -0.10990E-02 5827 0.207E-01 0.187E-01 RMM: 4 -0.319903114423E+03 -0.36331E-03 -0.11472E-03 4732 0.814E-02 0.335E-01 RMM: 5 -0.319902383191E+03 0.73123E-03 -0.37255E-04 4133 0.490E-02 0.105E-01 RMM: 6 -0.319902330897E+03 0.52294E-04 -0.92370E-05 3628 0.261E-02 0.655E-02 RMM: 7 -0.319902364300E+03 -0.33404E-04 -0.63456E-05 3460 0.214E-02 0.101E-01 RMM: 8 -0.319902298182E+03 0.66119E-04 -0.34057E-05 2962 0.185E-02 0.235E-02 RMM: 9 -0.319902301649E+03 -0.34673E-05 -0.11670E-05 2480 0.966E-03 6546 T= 6825. E= 0.68838491E+03 F= 0.63192021E+03 E0= 0.66065204E+03 EK= 0.56465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319137399055E+03 0.76490E+00 -0.21844E-01 8484 0.245E+01 0.262E-01 RMM: 2 -0.319152863496E+03 -0.15464E-01 -0.13321E-01 5187 0.785E-01 0.787E-01 RMM: 3 -0.319147755147E+03 0.51083E-02 -0.11424E-02 5839 0.211E-01 0.175E-01 RMM: 4 -0.319147982740E+03 -0.22759E-03 -0.10862E-03 4710 0.793E-02 0.302E-01 RMM: 5 -0.319147426535E+03 0.55620E-03 -0.34165E-04 4110 0.477E-02 0.123E-01 RMM: 6 -0.319147348128E+03 0.78407E-04 -0.11632E-04 3838 0.295E-02 0.669E-02 RMM: 7 -0.319147395615E+03 -0.47487E-04 -0.67203E-05 3489 0.225E-02 0.109E-01 RMM: 8 -0.319147317280E+03 0.78335E-04 -0.36648E-05 3045 0.193E-02 0.221E-02 RMM: 9 -0.319147321232E+03 -0.39523E-05 -0.10568E-05 2481 0.906E-03 6547 T= 6586. E= 0.68736126E+03 F= 0.63287602E+03 E0= 0.66158983E+03 EK= 0.54485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318232015637E+03 0.91530E+00 -0.20610E-01 8520 0.240E+01 0.244E-01 RMM: 2 -0.318247208542E+03 -0.15193E-01 -0.13228E-01 5213 0.785E-01 0.738E-01 RMM: 3 -0.318242456611E+03 0.47519E-02 -0.11258E-02 5962 0.207E-01 0.165E-01 RMM: 4 -0.318242579247E+03 -0.12264E-03 -0.98241E-04 4751 0.772E-02 0.269E-01 RMM: 5 -0.318242124062E+03 0.45518E-03 -0.33084E-04 4131 0.479E-02 0.111E-01 RMM: 6 -0.318242085148E+03 0.38915E-04 -0.13105E-04 3880 0.310E-02 0.856E-02 RMM: 7 -0.318242108475E+03 -0.23328E-04 -0.69948E-05 3495 0.237E-02 0.105E-01 RMM: 8 -0.318242037662E+03 0.70813E-04 -0.35928E-05 3049 0.192E-02 0.264E-02 RMM: 9 -0.318242039096E+03 -0.14333E-05 -0.10510E-05 2476 0.915E-03 6548 T= 6266. E= 0.68582410E+03 F= 0.63398802E+03 E0= 0.66268775E+03 EK= 0.51836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317282507541E+03 0.95953E+00 -0.20012E-01 8280 0.234E+01 0.254E-01 RMM: 2 -0.317300296117E+03 -0.17789E-01 -0.13551E-01 5044 0.813E-01 0.947E-01 RMM: 3 -0.317293428917E+03 0.68672E-02 -0.12806E-02 5849 0.223E-01 0.184E-01 RMM: 4 -0.317293406623E+03 0.22294E-04 -0.10646E-03 4770 0.790E-02 0.248E-01 RMM: 5 -0.317293054267E+03 0.35236E-03 -0.35549E-04 4259 0.504E-02 0.130E-01 RMM: 6 -0.317292985829E+03 0.68438E-04 -0.15165E-04 3877 0.331E-02 0.863E-02 RMM: 7 -0.317293015022E+03 -0.29193E-04 -0.78338E-05 3575 0.249E-02 0.109E-01 RMM: 8 -0.317292938725E+03 0.76298E-04 -0.40411E-05 3132 0.200E-02 0.278E-02 RMM: 9 -0.317292940146E+03 -0.14218E-05 -0.10977E-05 2480 0.948E-03 6549 T= 5989. E= 0.68469423E+03 F= 0.63515008E+03 E0= 0.66383905E+03 EK= 0.49544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316378820596E+03 0.91412E+00 -0.18638E-01 8268 0.230E+01 0.244E-01 RMM: 2 -0.316393397812E+03 -0.14577E-01 -0.11846E-01 5179 0.755E-01 0.802E-01 RMM: 3 -0.316388143000E+03 0.52548E-02 -0.10466E-02 5764 0.203E-01 0.180E-01 RMM: 4 -0.316388179714E+03 -0.36714E-04 -0.10029E-03 4732 0.773E-02 0.247E-01 RMM: 5 -0.316387820509E+03 0.35921E-03 -0.34210E-04 4113 0.488E-02 0.128E-01 RMM: 6 -0.316387758927E+03 0.61582E-04 -0.14192E-04 3883 0.325E-02 0.890E-02 RMM: 7 -0.316387792591E+03 -0.33664E-04 -0.81812E-05 3569 0.252E-02 0.114E-01 RMM: 8 -0.316387710746E+03 0.81845E-04 -0.43408E-05 3176 0.209E-02 0.300E-02 RMM: 9 -0.316387710165E+03 0.58117E-06 -0.10123E-05 2481 0.909E-03 6550 T= 5848. E= 0.68465464E+03 F= 0.63627315E+03 E0= 0.66495461E+03 EK= 0.48381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315574647421E+03 0.81306E+00 -0.18032E-01 8532 0.229E+01 0.257E-01 RMM: 2 -0.315588772494E+03 -0.14125E-01 -0.10975E-01 5145 0.732E-01 0.866E-01 RMM: 3 -0.315583136061E+03 0.56364E-02 -0.10060E-02 5798 0.199E-01 0.180E-01 RMM: 4 -0.315583264537E+03 -0.12848E-03 -0.10169E-03 4670 0.772E-02 0.274E-01 RMM: 5 -0.315582832882E+03 0.43165E-03 -0.35291E-04 4159 0.498E-02 0.133E-01 RMM: 6 -0.315582745351E+03 0.87532E-04 -0.13259E-04 3872 0.313E-02 0.745E-02 RMM: 7 -0.315582778375E+03 -0.33024E-04 -0.74582E-05 3538 0.241E-02 0.103E-01 RMM: 8 -0.315582711964E+03 0.66411E-04 -0.39499E-05 3127 0.201E-02 0.295E-02 RMM: 9 -0.315582711213E+03 0.75082E-06 -0.98440E-06 2478 0.904E-03 6551 T= 5890. E= 0.68602372E+03 F= 0.63729816E+03 E0= 0.66597319E+03 EK= 0.48726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314895316323E+03 0.68740E+00 -0.18090E-01 8400 0.232E+01 0.261E-01 RMM: 2 -0.314908773903E+03 -0.13458E-01 -0.11031E-01 5183 0.729E-01 0.798E-01 RMM: 3 -0.314903727799E+03 0.50461E-02 -0.98889E-03 5737 0.199E-01 0.182E-01 RMM: 4 -0.314903937795E+03 -0.21000E-03 -0.11092E-03 4693 0.805E-02 0.287E-01 RMM: 5 -0.314903413765E+03 0.52403E-03 -0.35221E-04 4007 0.475E-02 0.115E-01 RMM: 6 -0.314903357581E+03 0.56184E-04 -0.10935E-04 3755 0.290E-02 0.743E-02 RMM: 7 -0.314903389898E+03 -0.32317E-04 -0.68251E-05 3466 0.227E-02 0.102E-01 RMM: 8 -0.314903323232E+03 0.66666E-04 -0.39203E-05 3096 0.202E-02 0.273E-02 RMM: 9 -0.314903322841E+03 0.39057E-06 -0.98095E-06 2475 0.897E-03 6552 T= 6111. E= 0.68874843E+03 F= 0.63819663E+03 E0= 0.66686563E+03 EK= 0.50552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314340044032E+03 0.56328E+00 -0.19161E-01 8568 0.238E+01 0.278E-01 RMM: 2 -0.314354267780E+03 -0.14224E-01 -0.11273E-01 5191 0.752E-01 0.881E-01 RMM: 3 -0.314348605974E+03 0.56618E-02 -0.10305E-02 5770 0.203E-01 0.202E-01 RMM: 4 -0.314348850340E+03 -0.24437E-03 -0.11875E-03 4705 0.832E-02 0.312E-01 RMM: 5 -0.314348238783E+03 0.61156E-03 -0.35955E-04 4010 0.482E-02 0.121E-01 RMM: 6 -0.314348157659E+03 0.81123E-04 -0.10547E-04 3787 0.285E-02 0.623E-02 RMM: 7 -0.314348191718E+03 -0.34058E-04 -0.71772E-05 3532 0.231E-02 0.975E-02 RMM: 8 -0.314348131553E+03 0.60164E-04 -0.39983E-05 3110 0.200E-02 0.290E-02 RMM: 9 -0.314348130508E+03 0.10451E-05 -0.10840E-05 2481 0.948E-03 6553 T= 6455. E= 0.69236746E+03 F= 0.63896764E+03 E0= 0.66762926E+03 EK= 0.53400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313894134060E+03 0.45400E+00 -0.21017E-01 8232 0.245E+01 0.285E-01 RMM: 2 -0.313910653509E+03 -0.16519E-01 -0.13877E-01 5052 0.848E-01 0.861E-01 RMM: 3 -0.313905214720E+03 0.54388E-02 -0.14015E-02 5821 0.229E-01 0.206E-01 RMM: 4 -0.313905458577E+03 -0.24386E-03 -0.13294E-03 4858 0.881E-02 0.330E-01 RMM: 5 -0.313904751376E+03 0.70720E-03 -0.38308E-04 4042 0.484E-02 0.120E-01 RMM: 6 -0.313904672971E+03 0.78405E-04 -0.10686E-04 3705 0.282E-02 0.637E-02 RMM: 7 -0.313904708416E+03 -0.35445E-04 -0.73821E-05 3593 0.232E-02 0.100E-01 RMM: 8 -0.313904644279E+03 0.64137E-04 -0.39179E-05 3077 0.195E-02 0.298E-02 RMM: 9 -0.313904643998E+03 0.28069E-06 -0.12261E-05 2490 0.100E-02 6554 T= 6812. E= 0.69597986E+03 F= 0.63962305E+03 E0= 0.66827593E+03 EK= 0.56357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313560092121E+03 0.34455E+00 -0.21318E-01 8664 0.250E+01 0.297E-01 RMM: 2 -0.313575334555E+03 -0.15242E-01 -0.12362E-01 5304 0.787E-01 0.911E-01 RMM: 3 -0.313569434394E+03 0.59002E-02 -0.11251E-02 5847 0.205E-01 0.195E-01 RMM: 4 -0.313569734509E+03 -0.30011E-03 -0.12410E-03 4698 0.844E-02 0.337E-01 RMM: 5 -0.313569018217E+03 0.71629E-03 -0.39280E-04 4045 0.503E-02 0.126E-01 RMM: 6 -0.313568929164E+03 0.89053E-04 -0.11722E-04 3857 0.297E-02 0.631E-02 RMM: 7 -0.313568968817E+03 -0.39652E-04 -0.77130E-05 3606 0.234E-02 0.105E-01 RMM: 8 -0.313568898858E+03 0.69959E-04 -0.44081E-05 3170 0.203E-02 0.335E-02 RMM: 9 -0.313568896805E+03 0.20526E-05 -0.13563E-05 2495 0.105E-02 6555 T= 7043. E= 0.69843651E+03 F= 0.64016820E+03 E0= 0.66881067E+03 EK= 0.58268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313354928430E+03 0.21397E+00 -0.23639E-01 8112 0.252E+01 0.288E-01 RMM: 2 -0.313374163476E+03 -0.19235E-01 -0.15695E-01 5036 0.906E-01 0.949E-01 RMM: 3 -0.313367475364E+03 0.66881E-02 -0.15743E-02 5880 0.243E-01 0.193E-01 RMM: 4 -0.313367660782E+03 -0.18542E-03 -0.13474E-03 4923 0.885E-02 0.325E-01 RMM: 5 -0.313366976697E+03 0.68409E-03 -0.38724E-04 4120 0.497E-02 0.118E-01 RMM: 6 -0.313366913950E+03 0.62747E-04 -0.12306E-04 3825 0.296E-02 0.769E-02 RMM: 7 -0.313366949331E+03 -0.35380E-04 -0.89113E-05 3831 0.251E-02 0.109E-01 RMM: 8 -0.313366870493E+03 0.78838E-04 -0.41418E-05 3150 0.196E-02 0.272E-02 RMM: 9 -0.313366872410E+03 -0.19172E-05 -0.12099E-05 2489 0.992E-03 6556 T= 7047. E= 0.69887490E+03 F= 0.64058010E+03 E0= 0.66921174E+03 EK= 0.58295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313349129886E+03 0.17741E-01 -0.22053E-01 8424 0.250E+01 0.285E-01 RMM: 2 -0.313364602093E+03 -0.15472E-01 -0.11671E-01 5389 0.768E-01 0.970E-01 RMM: 3 -0.313357779030E+03 0.68231E-02 -0.96787E-03 5812 0.199E-01 0.193E-01 RMM: 4 -0.313357907799E+03 -0.12877E-03 -0.11314E-03 4684 0.808E-02 0.289E-01 RMM: 5 -0.313357418282E+03 0.48952E-03 -0.35534E-04 4018 0.489E-02 0.141E-01 RMM: 6 -0.313357315075E+03 0.10321E-03 -0.15126E-04 3892 0.342E-02 0.782E-02 RMM: 7 -0.313357373397E+03 -0.58322E-04 -0.10421E-04 3847 0.269E-02 0.125E-01 RMM: 8 -0.313357272190E+03 0.10121E-03 -0.52746E-05 3301 0.220E-02 0.338E-02 RMM: 9 -0.313357268891E+03 0.32997E-05 -0.12503E-05 2493 0.102E-02 6557 T= 6825. E= 0.69726680E+03 F= 0.64080375E+03 E0= 0.66942486E+03 EK= 0.56463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313611056515E+03 -0.25378E+00 -0.21230E-01 8400 0.245E+01 0.276E-01 RMM: 2 -0.313627345832E+03 -0.16289E-01 -0.11425E-01 5314 0.763E-01 0.102E+00 RMM: 3 -0.313619702651E+03 0.76432E-02 -0.98220E-03 5630 0.205E-01 0.203E-01 RMM: 4 -0.313619727919E+03 -0.25269E-04 -0.11406E-03 4723 0.812E-02 0.259E-01 RMM: 5 -0.313619322483E+03 0.40544E-03 -0.37989E-04 4246 0.517E-02 0.135E-01 RMM: 6 -0.313619258317E+03 0.64166E-04 -0.18083E-04 3894 0.362E-02 0.102E-01 RMM: 7 -0.313619303112E+03 -0.44795E-04 -0.11578E-04 3892 0.292E-02 0.128E-01 RMM: 8 -0.313619194159E+03 0.10895E-03 -0.55708E-05 3339 0.225E-02 0.391E-02 RMM: 9 -0.313619188481E+03 0.56782E-05 -0.12552E-05 2504 0.102E-02 6558 T= 6485. E= 0.69441445E+03 F= 0.64076335E+03 E0= 0.66937546E+03 EK= 0.53651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314217409187E+03 -0.59822E+00 -0.19990E-01 8244 0.239E+01 0.277E-01 RMM: 2 -0.314232226046E+03 -0.14817E-01 -0.10300E-01 5318 0.731E-01 0.993E-01 RMM: 3 -0.314225031214E+03 0.71948E-02 -0.89956E-03 5636 0.197E-01 0.199E-01 RMM: 4 -0.314225064090E+03 -0.32876E-04 -0.10625E-03 4695 0.783E-02 0.257E-01 RMM: 5 -0.314224687555E+03 0.37653E-03 -0.38388E-04 4355 0.525E-02 0.145E-01 RMM: 6 -0.314224605633E+03 0.81922E-04 -0.18645E-04 3893 0.365E-02 0.101E-01 RMM: 7 -0.314224647593E+03 -0.41959E-04 -0.11777E-04 3880 0.295E-02 0.130E-01 RMM: 8 -0.314224537464E+03 0.11013E-03 -0.59750E-05 3382 0.231E-02 0.320E-02 RMM: 9 -0.314224537386E+03 0.77371E-07 -0.13420E-05 2505 0.106E-02 6559 T= 6167. E= 0.69140881E+03 F= 0.64038886E+03 E0= 0.66899370E+03 EK= 0.51020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315207859573E+03 -0.98332E+00 -0.18659E-01 8220 0.234E+01 0.283E-01 RMM: 2 -0.315222587207E+03 -0.14728E-01 -0.94367E-02 5211 0.714E-01 0.104E+00 RMM: 3 -0.315214855730E+03 0.77315E-02 -0.91590E-03 5509 0.203E-01 0.230E-01 RMM: 4 -0.315214787558E+03 0.68171E-04 -0.12173E-03 4720 0.834E-02 0.246E-01 RMM: 5 -0.315214447756E+03 0.33980E-03 -0.44113E-04 4532 0.569E-02 0.146E-01 RMM: 6 -0.315214358658E+03 0.89098E-04 -0.17547E-04 3889 0.347E-02 0.972E-02 RMM: 7 -0.315214402637E+03 -0.43979E-04 -0.11364E-04 3879 0.292E-02 0.124E-01 RMM: 8 -0.315214301102E+03 0.10153E-03 -0.54951E-05 3343 0.223E-02 0.367E-02 RMM: 9 -0.315214296599E+03 0.45030E-05 -0.10711E-05 2500 0.942E-03 6560 T= 5979. E= 0.68909951E+03 F= 0.63963921E+03 E0= 0.66823957E+03 EK= 0.49460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316579971707E+03 -0.13657E+01 -0.17567E-01 8004 0.232E+01 0.295E-01 RMM: 2 -0.316592057862E+03 -0.12086E-01 -0.85218E-02 5140 0.689E-01 0.930E-01 RMM: 3 -0.316586002504E+03 0.60554E-02 -0.87329E-03 5502 0.199E-01 0.210E-01 RMM: 4 -0.316586270430E+03 -0.26793E-03 -0.12384E-03 4761 0.847E-02 0.314E-01 RMM: 5 -0.316585682944E+03 0.58749E-03 -0.42721E-04 4368 0.538E-02 0.149E-01 RMM: 6 -0.316585573527E+03 0.10942E-03 -0.17825E-04 3894 0.358E-02 0.868E-02 RMM: 7 -0.316585629252E+03 -0.55726E-04 -0.10583E-04 3828 0.278E-02 0.127E-01 RMM: 8 -0.316585524097E+03 0.10515E-03 -0.56274E-05 3340 0.227E-02 0.299E-02 RMM: 9 -0.316585523338E+03 0.75930E-06 -0.12384E-05 2498 0.103E-02 6561 T= 5970. E= 0.68789983E+03 F= 0.63851553E+03 E0= 0.66711439E+03 EK= 0.49384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318283636645E+03 -0.16981E+01 -0.17268E-01 8220 0.234E+01 0.291E-01 RMM: 2 -0.318293758676E+03 -0.10122E-01 -0.77535E-02 5104 0.663E-01 0.836E-01 RMM: 3 -0.318289084541E+03 0.46741E-02 -0.81476E-03 5524 0.187E-01 0.218E-01 RMM: 4 -0.318289423623E+03 -0.33908E-03 -0.13218E-03 4753 0.887E-02 0.336E-01 RMM: 5 -0.318288680022E+03 0.74360E-03 -0.48446E-04 4450 0.581E-02 0.108E-01 RMM: 6 -0.318288643513E+03 0.36509E-04 -0.11384E-04 3838 0.281E-02 0.841E-02 RMM: 7 -0.318288661587E+03 -0.18074E-04 -0.70265E-05 3529 0.229E-02 6562 T= 6133. E= 0.68780008E+03 F= 0.63706466E+03 E0= 0.66566566E+03 EK= 0.50735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320222165562E+03 -0.19335E+01 -0.17695E-01 8148 0.238E+01 0.322E-01 RMM: 2 -0.320230965870E+03 -0.88003E-02 -0.79406E-02 5078 0.680E-01 0.729E-01 RMM: 3 -0.320227565203E+03 0.34007E-02 -0.85363E-03 5515 0.191E-01 0.239E-01 RMM: 4 -0.320228209061E+03 -0.64386E-03 -0.13731E-03 4818 0.906E-02 0.411E-01 RMM: 5 -0.320227102634E+03 0.11064E-02 -0.54259E-04 4490 0.600E-02 0.123E-01 RMM: 6 -0.320227040492E+03 0.62142E-04 -0.14400E-04 3875 0.309E-02 0.851E-02 RMM: 7 -0.320227064694E+03 -0.24202E-04 -0.81761E-05 3681 0.248E-02 0.107E-01 RMM: 8 -0.320226990162E+03 0.74532E-04 -0.37961E-05 3094 0.189E-02 0.265E-02 RMM: 9 -0.320226994149E+03 -0.39866E-05 -0.12913E-05 2489 0.102E-02 6563 T= 6409. E= 0.68840280E+03 F= 0.63538093E+03 E0= 0.66398907E+03 EK= 0.53022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322263735902E+03 -0.20367E+01 -0.17851E-01 7908 0.243E+01 0.310E-01 RMM: 2 -0.322274233870E+03 -0.10498E-01 -0.84738E-02 5063 0.710E-01 0.845E-01 RMM: 3 -0.322269529161E+03 0.47047E-02 -0.92296E-03 5492 0.201E-01 0.220E-01 RMM: 4 -0.322270159856E+03 -0.63069E-03 -0.14107E-03 4827 0.908E-02 0.394E-01 RMM: 5 -0.322269144871E+03 0.10150E-02 -0.50494E-04 4461 0.581E-02 0.113E-01 RMM: 6 -0.322269072184E+03 0.72686E-04 -0.11357E-04 3848 0.279E-02 0.580E-02 RMM: 7 -0.322269106774E+03 -0.34590E-04 -0.53724E-05 3287 0.200E-02 0.968E-02 RMM: 8 -0.322269044404E+03 0.62370E-04 -0.35770E-05 2985 0.191E-02 0.235E-02 RMM: 9 -0.322269044965E+03 -0.56081E-06 -0.91301E-06 2466 0.847E-03 6564 T= 6694. E= 0.68897087E+03 F= 0.63359485E+03 E0= 0.66221516E+03 EK= 0.55376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324263963833E+03 -0.19949E+01 -0.17494E-01 8028 0.247E+01 0.324E-01 RMM: 2 -0.324272523760E+03 -0.85599E-02 -0.77574E-02 5053 0.684E-01 0.733E-01 RMM: 3 -0.324269126146E+03 0.33976E-02 -0.83486E-03 5499 0.190E-01 0.239E-01 RMM: 4 -0.324269743571E+03 -0.61743E-03 -0.14027E-03 4844 0.920E-02 0.404E-01 RMM: 5 -0.324268671544E+03 0.10720E-02 -0.55885E-04 4478 0.615E-02 0.114E-01 RMM: 6 -0.324268608198E+03 0.63346E-04 -0.11622E-04 3813 0.274E-02 0.718E-02 RMM: 7 -0.324268627152E+03 -0.18954E-04 -0.71383E-05 3586 0.233E-02 6565 T= 6865. E= 0.68864586E+03 F= 0.63185358E+03 E0= 0.66049147E+03 EK= 0.56792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326091904548E+03 -0.18233E+01 -0.17941E-01 8244 0.248E+01 0.327E-01 RMM: 2 -0.326100321783E+03 -0.84172E-02 -0.77765E-02 5066 0.675E-01 0.717E-01 RMM: 3 -0.326097082966E+03 0.32388E-02 -0.85377E-03 5455 0.194E-01 0.267E-01 RMM: 4 -0.326097736584E+03 -0.65362E-03 -0.14883E-03 4837 0.938E-02 0.426E-01 RMM: 5 -0.326096536752E+03 0.11998E-02 -0.62647E-04 4544 0.650E-02 0.106E-01 RMM: 6 -0.326096502302E+03 0.34450E-04 -0.12196E-04 3828 0.287E-02 0.841E-02 RMM: 7 -0.326096529205E+03 -0.26903E-04 -0.68841E-05 3509 0.224E-02 0.107E-01 RMM: 8 -0.326096454718E+03 0.74488E-04 -0.42661E-05 3147 0.203E-02 0.241E-02 RMM: 9 -0.326096460991E+03 -0.62735E-05 -0.12056E-05 2485 0.985E-03 6566 T= 6841. E= 0.68688029E+03 F= 0.63028896E+03 E0= 0.65894998E+03 EK= 0.56591E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327666318165E+03 -0.15699E+01 -0.17538E-01 8088 0.246E+01 0.298E-01 RMM: 2 -0.327674215520E+03 -0.78974E-02 -0.70235E-02 4964 0.635E-01 0.708E-01 RMM: 3 -0.327670883019E+03 0.33325E-02 -0.76518E-03 5417 0.188E-01 0.223E-01 RMM: 4 -0.327671582322E+03 -0.69930E-03 -0.12701E-03 4820 0.870E-02 0.408E-01 RMM: 5 -0.327670528967E+03 0.10534E-02 -0.52043E-04 4502 0.600E-02 0.119E-01 RMM: 6 -0.327670456731E+03 0.72236E-04 -0.14266E-04 3871 0.313E-02 0.690E-02 RMM: 7 -0.327670480932E+03 -0.24200E-04 -0.54126E-05 3339 0.215E-02 0.927E-02 RMM: 8 -0.327670423758E+03 0.57173E-04 -0.26477E-05 2814 0.166E-02 0.218E-02 RMM: 9 -0.327670426595E+03 -0.28367E-05 -0.91453E-06 2461 0.841E-03 6567 T= 6627. E= 0.68380877E+03 F= 0.62898639E+03 E0= 0.65767610E+03 EK= 0.54822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328964996044E+03 -0.12946E+01 -0.16591E-01 8040 0.240E+01 0.297E-01 RMM: 2 -0.328971420556E+03 -0.64245E-02 -0.60596E-02 5035 0.589E-01 0.639E-01 RMM: 3 -0.328968756717E+03 0.26638E-02 -0.64413E-03 5448 0.171E-01 0.234E-01 RMM: 4 -0.328969354230E+03 -0.59751E-03 -0.13486E-03 4821 0.928E-02 0.392E-01 RMM: 5 -0.328968339750E+03 0.10145E-02 -0.61675E-04 4580 0.665E-02 0.108E-01 RMM: 6 -0.328968312067E+03 0.27682E-04 -0.12237E-04 3857 0.288E-02 0.918E-02 RMM: 7 -0.328968304038E+03 0.80296E-05 -0.59662E-05 3432 0.232E-02 6568 T= 6312. E= 0.68018835E+03 F= 0.62797074E+03 E0= 0.65669425E+03 EK= 0.52218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330009844971E+03 -0.10415E+01 -0.15600E-01 8016 0.235E+01 0.313E-01 RMM: 2 -0.330015145224E+03 -0.53003E-02 -0.56727E-02 5067 0.572E-01 0.561E-01 RMM: 3 -0.330013243811E+03 0.19014E-02 -0.59315E-03 5465 0.164E-01 0.262E-01 RMM: 4 -0.330013895815E+03 -0.65200E-03 -0.13878E-03 4754 0.951E-02 0.424E-01 RMM: 5 -0.330012705387E+03 0.11904E-02 -0.76055E-04 4598 0.743E-02 0.108E-01 RMM: 6 -0.330012724948E+03 -0.19560E-04 -0.18003E-04 3876 0.346E-02 6569 T= 6013. E= 0.67696367E+03 F= 0.62722022E+03 E0= 0.65598142E+03 EK= 0.49743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330836764922E+03 -0.82406E+00 -0.15542E-01 8040 0.230E+01 0.403E-01 RMM: 2 -0.330861628098E+03 -0.24863E-01 -0.79975E-02 4851 0.705E-01 0.174E+00 RMM: 3 -0.330841601247E+03 0.20027E-01 -0.13652E-02 5337 0.286E-01 0.354E-01 RMM: 4 -0.330841064022E+03 0.53723E-03 -0.20486E-03 5136 0.101E-01 0.249E-01 RMM: 5 -0.330841137452E+03 -0.73430E-04 -0.96527E-04 4608 0.836E-02 0.286E-01 RMM: 6 -0.330840632101E+03 0.50535E-03 -0.38853E-04 4091 0.531E-02 0.956E-02 RMM: 7 -0.330840678395E+03 -0.46294E-04 -0.14528E-04 3873 0.333E-02 0.130E-01 RMM: 8 -0.330840581178E+03 0.97217E-04 -0.85205E-05 3792 0.288E-02 0.533E-02 RMM: 9 -0.330840570692E+03 0.10486E-04 -0.17670E-05 2559 0.129E-02 6570 T= 5823. E= 0.67487146E+03 F= 0.62669634E+03 E0= 0.65550143E+03 EK= 0.48175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331481257018E+03 -0.64068E+00 -0.14896E-01 8172 0.229E+01 0.383E-01 RMM: 2 -0.331504053102E+03 -0.22796E-01 -0.58480E-02 5029 0.588E-01 0.172E+00 RMM: 3 -0.331484168352E+03 0.19885E-01 -0.10889E-02 5336 0.259E-01 0.326E-01 RMM: 4 -0.331484006842E+03 0.16151E-03 -0.22243E-03 5128 0.110E-01 0.307E-01 RMM: 5 -0.331483714979E+03 0.29186E-03 -0.56691E-04 4594 0.637E-02 0.239E-01 RMM: 6 -0.331483330729E+03 0.38425E-03 -0.19969E-04 3885 0.384E-02 0.585E-02 RMM: 7 -0.331483354722E+03 -0.23993E-04 -0.68833E-05 3467 0.227E-02 0.865E-02 RMM: 8 -0.331483312845E+03 0.41877E-04 -0.28812E-05 2889 0.177E-02 0.410E-02 RMM: 9 -0.331483303099E+03 0.97464E-05 -0.91400E-06 2477 0.912E-03 6571 T= 5794. E= 0.67429693E+03 F= 0.62636389E+03 E0= 0.65521383E+03 EK= 0.47933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331948089919E+03 -0.46478E+00 -0.16015E-01 8064 0.230E+01 0.367E-01 RMM: 2 -0.331964711178E+03 -0.16621E-01 -0.75193E-02 4890 0.661E-01 0.133E+00 RMM: 3 -0.331952523770E+03 0.12187E-01 -0.10482E-02 5359 0.238E-01 0.258E-01 RMM: 4 -0.331953073313E+03 -0.54954E-03 -0.20668E-03 5086 0.107E-01 0.399E-01 RMM: 5 -0.331952183235E+03 0.89008E-03 -0.74218E-04 4594 0.730E-02 0.191E-01 RMM: 6 -0.331951960319E+03 0.22292E-03 -0.17174E-04 3874 0.337E-02 0.675E-02 RMM: 7 -0.331951981129E+03 -0.20809E-04 -0.82660E-05 3681 0.270E-02 0.923E-02 RMM: 8 -0.331951928961E+03 0.52168E-04 -0.31418E-05 3008 0.177E-02 0.271E-02 RMM: 9 -0.331951939602E+03 -0.10641E-04 -0.13557E-05 2502 0.105E-02 6572 T= 5933. E= 0.67528820E+03 F= 0.62620695E+03 E0= 0.65510286E+03 EK= 0.49081E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332234166434E+03 -0.28224E+00 -0.16011E-01 8184 0.235E+01 0.316E-01 RMM: 2 -0.332242028428E+03 -0.78620E-02 -0.61550E-02 5090 0.584E-01 0.808E-01 RMM: 3 -0.332237772902E+03 0.42555E-02 -0.69016E-03 5408 0.183E-01 0.230E-01 RMM: 4 -0.332238528171E+03 -0.75527E-03 -0.15169E-03 4752 0.950E-02 0.415E-01 RMM: 5 -0.332237470596E+03 0.10576E-02 -0.58728E-04 4568 0.637E-02 0.144E-01 RMM: 6 -0.332237345877E+03 0.12472E-03 -0.13838E-04 3872 0.306E-02 0.612E-02 RMM: 7 -0.332237394490E+03 -0.48613E-04 -0.58970E-05 3397 0.217E-02 0.106E-01 RMM: 8 -0.332237323026E+03 0.71464E-04 -0.33636E-05 3010 0.186E-02 0.244E-02 RMM: 9 -0.332237329012E+03 -0.59866E-05 -0.11739E-05 2485 0.961E-03 6573 T= 6205. E= 0.67756309E+03 F= 0.62623017E+03 E0= 0.65516992E+03 EK= 0.51333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332313458881E+03 -0.76136E-01 -0.17578E-01 7932 0.240E+01 0.321E-01 RMM: 2 -0.332321181399E+03 -0.77225E-02 -0.74999E-02 5025 0.641E-01 0.663E-01 RMM: 3 -0.332318383143E+03 0.27983E-02 -0.81056E-03 5557 0.183E-01 0.253E-01 RMM: 4 -0.332319023441E+03 -0.64030E-03 -0.14405E-03 4786 0.937E-02 0.423E-01 RMM: 5 -0.332317852503E+03 0.11709E-02 -0.65708E-04 4568 0.670E-02 0.973E-02 RMM: 6 -0.332317828218E+03 0.24285E-04 -0.10677E-04 3758 0.261E-02 0.839E-02 RMM: 7 -0.332317823409E+03 0.48089E-05 -0.55191E-05 3335 0.212E-02 6574 T= 6532. E= 0.68048670E+03 F= 0.62645253E+03 E0= 0.65543000E+03 EK= 0.54034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332173173732E+03 0.14465E+00 -0.18585E-01 7944 0.246E+01 0.332E-01 RMM: 2 -0.332181525124E+03 -0.83514E-02 -0.80506E-02 5188 0.655E-01 0.689E-01 RMM: 3 -0.332178512623E+03 0.30125E-02 -0.80386E-03 5533 0.182E-01 0.280E-01 RMM: 4 -0.332179254669E+03 -0.74205E-03 -0.15389E-03 4774 0.963E-02 0.454E-01 RMM: 5 -0.332177877601E+03 0.13771E-02 -0.70720E-04 4571 0.691E-02 0.913E-02 RMM: 6 -0.332177891638E+03 -0.14037E-04 -0.13088E-04 3844 0.288E-02 6575 T= 6800. E= 0.68314050E+03 F= 0.62688941E+03 E0= 0.65589497E+03 EK= 0.56251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331823475005E+03 0.35440E+00 -0.20125E-01 7848 0.249E+01 0.392E-01 RMM: 2 -0.331846258321E+03 -0.22783E-01 -0.10195E-01 5041 0.741E-01 0.154E+00 RMM: 3 -0.331830254895E+03 0.16003E-01 -0.14289E-02 5374 0.274E-01 0.296E-01 RMM: 4 -0.331830475506E+03 -0.22061E-03 -0.22255E-03 5036 0.106E-01 0.361E-01 RMM: 5 -0.331829747644E+03 0.72786E-03 -0.59277E-04 4554 0.610E-02 0.180E-01 RMM: 6 -0.331829562072E+03 0.18557E-03 -0.19927E-04 3884 0.373E-02 0.791E-02 RMM: 7 -0.331829621613E+03 -0.59541E-04 -0.99519E-05 3750 0.270E-02 0.123E-01 RMM: 8 -0.331829529844E+03 0.91769E-04 -0.49503E-05 3260 0.216E-02 0.404E-02 RMM: 9 -0.331829525258E+03 0.45862E-05 -0.13828E-05 2513 0.107E-02 6576 T= 6903. E= 0.68463554E+03 F= 0.62753106E+03 E0= 0.65655286E+03 EK= 0.57104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331320093774E+03 0.50944E+00 -0.20423E-01 7848 0.248E+01 0.389E-01 RMM: 2 -0.331344024289E+03 -0.23931E-01 -0.99805E-02 5038 0.748E-01 0.160E+00 RMM: 3 -0.331326686478E+03 0.17338E-01 -0.14172E-02 5379 0.278E-01 0.337E-01 RMM: 4 -0.331326390306E+03 0.29617E-03 -0.22977E-03 5103 0.108E-01 0.295E-01 RMM: 5 -0.331326094148E+03 0.29616E-03 -0.58901E-04 4582 0.632E-02 0.231E-01 RMM: 6 -0.331325751859E+03 0.34229E-03 -0.20435E-04 3881 0.380E-02 0.601E-02 RMM: 7 -0.331325812675E+03 -0.60815E-04 -0.95940E-05 3699 0.258E-02 0.115E-01 RMM: 8 -0.331325731100E+03 0.81575E-04 -0.45695E-05 3198 0.210E-02 0.396E-02 RMM: 9 -0.331325723199E+03 0.79009E-05 -0.11595E-05 2493 0.991E-03 6577 T= 6800. E= 0.68458307E+03 F= 0.62832815E+03 E0= 0.65735124E+03 EK= 0.56255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330752704509E+03 0.57303E+00 -0.20830E-01 7728 0.244E+01 0.353E-01 RMM: 2 -0.330771602606E+03 -0.18898E-01 -0.10167E-01 5031 0.754E-01 0.132E+00 RMM: 3 -0.330759855303E+03 0.11747E-01 -0.12343E-02 5453 0.244E-01 0.288E-01 RMM: 4 -0.330759827432E+03 0.27872E-04 -0.18961E-03 4975 0.102E-01 0.313E-01 RMM: 5 -0.330759417881E+03 0.40955E-03 -0.70326E-04 4604 0.712E-02 0.218E-01 RMM: 6 -0.330759134190E+03 0.28369E-03 -0.24708E-04 3888 0.412E-02 0.871E-02 RMM: 7 -0.330759203488E+03 -0.69298E-04 -0.14871E-04 3880 0.336E-02 0.134E-01 RMM: 8 -0.330759090432E+03 0.11306E-03 -0.69335E-05 3475 0.252E-02 0.406E-02 RMM: 9 -0.330759086738E+03 0.36938E-05 -0.13586E-05 2518 0.108E-02 6578 T= 6543. E= 0.68332383E+03 F= 0.62919172E+03 E0= 0.65820346E+03 EK= 0.54132E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330232870169E+03 0.52622E+00 -0.19568E-01 8016 0.239E+01 0.307E-01 RMM: 2 -0.330245127948E+03 -0.12258E-01 -0.86057E-02 5155 0.682E-01 0.965E-01 RMM: 3 -0.330238839551E+03 0.62884E-02 -0.90297E-03 5533 0.201E-01 0.224E-01 RMM: 4 -0.330239133848E+03 -0.29430E-03 -0.14177E-03 4758 0.916E-02 0.334E-01 RMM: 5 -0.330238502108E+03 0.63174E-03 -0.64764E-04 4602 0.692E-02 0.168E-01 RMM: 6 -0.330238384395E+03 0.11771E-03 -0.22128E-04 3894 0.388E-02 0.106E-01 RMM: 7 -0.330238411895E+03 -0.27500E-04 -0.11249E-04 3790 0.308E-02 0.124E-01 RMM: 8 -0.330238314863E+03 0.97031E-04 -0.55166E-05 3341 0.223E-02 0.325E-02 RMM: 9 -0.330238317911E+03 -0.30474E-05 -0.13659E-05 2499 0.109E-02 6579 T= 6245. E= 0.68168093E+03 F= 0.63001540E+03 E0= 0.65900626E+03 EK= 0.51666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329853539442E+03 0.38478E+00 -0.18863E-01 7932 0.233E+01 0.302E-01 RMM: 2 -0.329865439701E+03 -0.11900E-01 -0.88303E-02 5077 0.697E-01 0.897E-01 RMM: 3 -0.329859897274E+03 0.55424E-02 -0.94313E-03 5593 0.198E-01 0.242E-01 RMM: 4 -0.329859997955E+03 -0.10068E-03 -0.14362E-03 4797 0.934E-02 0.314E-01 RMM: 5 -0.329859466106E+03 0.53185E-03 -0.74674E-04 4604 0.763E-02 0.169E-01 RMM: 6 -0.329859336970E+03 0.12914E-03 -0.20963E-04 3887 0.375E-02 0.105E-01 RMM: 7 -0.329859354228E+03 -0.17258E-04 -0.12441E-04 3865 0.327E-02 6580 T= 6019. E= 0.68049555E+03 F= 0.63070343E+03 E0= 0.65966846E+03 EK= 0.49792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329682746575E+03 0.17659E+00 -0.18441E-01 7692 0.230E+01 0.329E-01 RMM: 2 -0.329692988084E+03 -0.10242E-01 -0.91281E-02 5026 0.704E-01 0.759E-01 RMM: 3 -0.329689164300E+03 0.38238E-02 -0.99001E-03 5639 0.196E-01 0.249E-01 RMM: 4 -0.329689747961E+03 -0.58366E-03 -0.16999E-03 4941 0.105E-01 0.426E-01 RMM: 5 -0.329688653109E+03 0.10949E-02 -0.84948E-04 4602 0.784E-02 0.160E-01 RMM: 6 -0.329688592503E+03 0.60606E-04 -0.25860E-04 3905 0.414E-02 0.133E-01 RMM: 7 -0.329688564457E+03 0.28046E-04 -0.13054E-04 3859 0.344E-02 0.117E-01 RMM: 8 -0.329688479423E+03 0.85034E-04 -0.56337E-05 3359 0.225E-02 0.372E-02 RMM: 9 -0.329688490076E+03 -0.10653E-04 -0.19169E-05 2552 0.128E-02 6581 T= 5939. E= 0.68032041E+03 F= 0.63118746E+03 E0= 0.66012540E+03 EK= 0.49133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329750263190E+03 -0.61784E-01 -0.18055E-01 7860 0.230E+01 0.278E-01 RMM: 2 -0.329761263016E+03 -0.11000E-01 -0.90032E-02 4946 0.705E-01 0.794E-01 RMM: 3 -0.329756898299E+03 0.43647E-02 -0.99881E-03 5654 0.197E-01 0.218E-01 RMM: 4 -0.329757142551E+03 -0.24425E-03 -0.13643E-03 4822 0.915E-02 0.323E-01 RMM: 5 -0.329756543498E+03 0.59905E-03 -0.51609E-04 4502 0.604E-02 0.153E-01 RMM: 6 -0.329756403351E+03 0.14015E-03 -0.15133E-04 3886 0.322E-02 0.637E-02 RMM: 7 -0.329756450982E+03 -0.47631E-04 -0.70638E-05 3510 0.233E-02 0.107E-01 RMM: 8 -0.329756377875E+03 0.73107E-04 -0.35140E-05 3073 0.190E-02 0.246E-02 RMM: 9 -0.329756376973E+03 0.90189E-06 -0.68347E-06 2464 0.732E-03 6582 T= 6032. E= 0.68133767E+03 F= 0.63143345E+03 E0= 0.66034607E+03 EK= 0.49904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330052990653E+03 -0.29661E+00 -0.18261E-01 7812 0.233E+01 0.354E-01 RMM: 2 -0.330066179125E+03 -0.13188E-01 -0.98306E-02 4989 0.742E-01 0.100E+00 RMM: 3 -0.330059684251E+03 0.64949E-02 -0.11383E-02 5563 0.218E-01 0.261E-01 RMM: 4 -0.330060214605E+03 -0.53035E-03 -0.19224E-03 4964 0.107E-01 0.411E-01 RMM: 5 -0.330059249678E+03 0.96493E-03 -0.72166E-04 4598 0.699E-02 0.199E-01 RMM: 6 -0.330059009169E+03 0.24051E-03 -0.23465E-04 3918 0.399E-02 0.780E-02 RMM: 7 -0.330059078814E+03 -0.69644E-04 -0.11362E-04 3827 0.289E-02 0.129E-01 RMM: 8 -0.330058971822E+03 0.10699E-03 -0.56435E-05 3351 0.225E-02 0.399E-02 RMM: 9 -0.330058966679E+03 0.51424E-05 -0.13964E-05 2513 0.109E-02 6583 T= 6275. E= 0.68335384E+03 F= 0.63144208E+03 E0= 0.66033329E+03 EK= 0.51912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330561212007E+03 -0.50224E+00 -0.18144E-01 7764 0.238E+01 0.340E-01 RMM: 2 -0.330573424504E+03 -0.12212E-01 -0.82938E-02 5141 0.679E-01 0.100E+00 RMM: 3 -0.330566590818E+03 0.68337E-02 -0.91265E-03 5451 0.202E-01 0.251E-01 RMM: 4 -0.330567291340E+03 -0.70052E-03 -0.18403E-03 4877 0.104E-01 0.424E-01 RMM: 5 -0.330566185665E+03 0.11057E-02 -0.66528E-04 4564 0.675E-02 0.153E-01 RMM: 6 -0.330566046494E+03 0.13917E-03 -0.14916E-04 3874 0.312E-02 0.705E-02 RMM: 7 -0.330566100385E+03 -0.53891E-04 -0.91911E-05 3698 0.256E-02 0.115E-01 RMM: 8 -0.330566018479E+03 0.81906E-04 -0.46882E-05 3229 0.211E-02 0.341E-02 RMM: 9 -0.330566016612E+03 0.18676E-05 -0.11290E-05 2491 0.960E-03 6584 T= 6593. E= 0.68578054E+03 F= 0.63124168E+03 E0= 0.66011694E+03 EK= 0.54539E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331222391674E+03 -0.65637E+00 -0.18814E-01 7956 0.243E+01 0.361E-01 RMM: 2 -0.331236693807E+03 -0.14302E-01 -0.93220E-02 5095 0.737E-01 0.113E+00 RMM: 3 -0.331228398145E+03 0.82957E-02 -0.10450E-02 5458 0.222E-01 0.263E-01 RMM: 4 -0.331229002751E+03 -0.60461E-03 -0.20184E-03 4989 0.108E-01 0.415E-01 RMM: 5 -0.331228022609E+03 0.98014E-03 -0.64392E-04 4571 0.658E-02 0.192E-01 RMM: 6 -0.331227785337E+03 0.23727E-03 -0.18019E-04 3892 0.348E-02 0.621E-02 RMM: 7 -0.331227841721E+03 -0.56383E-04 -0.92723E-05 3721 0.259E-02 0.112E-01 RMM: 8 -0.331227760716E+03 0.81005E-04 -0.44277E-05 3181 0.202E-02 0.355E-02 RMM: 9 -0.331227756692E+03 0.40237E-05 -0.12895E-05 2493 0.105E-02 6585 T= 6869. E= 0.68770552E+03 F= 0.63088244E+03 E0= 0.65974828E+03 EK= 0.56823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331989559709E+03 -0.76180E+00 -0.18585E-01 7956 0.246E+01 0.348E-01 RMM: 2 -0.332000163300E+03 -0.10604E-01 -0.77272E-02 5283 0.666E-01 0.951E-01 RMM: 3 -0.331994226032E+03 0.59373E-02 -0.77590E-03 5407 0.195E-01 0.271E-01 RMM: 4 -0.331994954315E+03 -0.72828E-03 -0.18240E-03 4795 0.105E-01 0.431E-01 RMM: 5 -0.331993751771E+03 0.12025E-02 -0.68008E-04 4601 0.683E-02 0.141E-01 RMM: 6 -0.331993638054E+03 0.11372E-03 -0.13461E-04 3876 0.297E-02 0.729E-02 RMM: 7 -0.331993685791E+03 -0.47737E-04 -0.92212E-05 3750 0.258E-02 0.113E-01 RMM: 8 -0.331993604105E+03 0.81686E-04 -0.44579E-05 3166 0.205E-02 0.355E-02 RMM: 9 -0.331993600985E+03 0.31201E-05 -0.12205E-05 2492 0.997E-03 6586 T= 6986. E= 0.68821049E+03 F= 0.63041775E+03 E0= 0.65928190E+03 EK= 0.57793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332823818772E+03 -0.83021E+00 -0.18721E-01 7812 0.246E+01 0.355E-01 RMM: 2 -0.332836992351E+03 -0.13174E-01 -0.84828E-02 5183 0.702E-01 0.110E+00 RMM: 3 -0.332829074301E+03 0.79180E-02 -0.91550E-03 5473 0.209E-01 0.248E-01 RMM: 4 -0.332829772220E+03 -0.69792E-03 -0.18566E-03 4896 0.105E-01 0.425E-01 RMM: 5 -0.332828729356E+03 0.10429E-02 -0.65449E-04 4591 0.670E-02 0.185E-01 RMM: 6 -0.332828519542E+03 0.20981E-03 -0.19655E-04 3897 0.365E-02 0.709E-02 RMM: 7 -0.332828587843E+03 -0.68301E-04 -0.10248E-04 3791 0.275E-02 0.124E-01 RMM: 8 -0.332828489467E+03 0.98375E-04 -0.51089E-05 3300 0.215E-02 0.369E-02 RMM: 9 -0.332828485557E+03 0.39101E-05 -0.12914E-05 2499 0.104E-02 6587 T= 6889. E= 0.68688045E+03 F= 0.62988702E+03 E0= 0.65875753E+03 EK= 0.56993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333716413658E+03 -0.88792E+00 -0.17830E-01 7896 0.243E+01 0.334E-01 RMM: 2 -0.333727313869E+03 -0.10900E-01 -0.77242E-02 5257 0.658E-01 0.941E-01 RMM: 3 -0.333721248140E+03 0.60657E-02 -0.75918E-03 5405 0.191E-01 0.259E-01 RMM: 4 -0.333721883499E+03 -0.63536E-03 -0.17697E-03 4817 0.104E-01 0.412E-01 RMM: 5 -0.333720846250E+03 0.10372E-02 -0.68766E-04 4602 0.694E-02 0.163E-01 RMM: 6 -0.333720705363E+03 0.14089E-03 -0.18488E-04 3889 0.353E-02 0.870E-02 RMM: 7 -0.333720749950E+03 -0.44587E-04 -0.10163E-04 3803 0.284E-02 0.120E-01 RMM: 8 -0.333720658799E+03 0.91151E-04 -0.46008E-05 3217 0.207E-02 0.347E-02 RMM: 9 -0.333720657923E+03 0.87592E-06 -0.12647E-05 2491 0.102E-02 6588 T= 6622. E= 0.68408685E+03 F= 0.62930654E+03 E0= 0.65819125E+03 EK= 0.54780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334675512770E+03 -0.95485E+00 -0.17304E-01 7848 0.238E+01 0.356E-01 RMM: 2 -0.334690423070E+03 -0.14910E-01 -0.84830E-02 5158 0.703E-01 0.121E+00 RMM: 3 -0.334680820390E+03 0.96027E-02 -0.94986E-03 5426 0.215E-01 0.247E-01 RMM: 4 -0.334681363874E+03 -0.54348E-03 -0.18675E-03 4930 0.105E-01 0.399E-01 RMM: 5 -0.334680524530E+03 0.83934E-03 -0.74274E-04 4604 0.733E-02 0.208E-01 RMM: 6 -0.334680265652E+03 0.25888E-03 -0.25893E-04 3905 0.423E-02 0.821E-02 RMM: 7 -0.334680339004E+03 -0.73352E-04 -0.12059E-04 3834 0.312E-02 0.134E-01 RMM: 8 -0.334680223956E+03 0.11505E-03 -0.56808E-05 3372 0.227E-02 0.345E-02 RMM: 9 -0.334680224218E+03 -0.26219E-06 -0.13799E-05 2504 0.109E-02 6589 T= 6295. E= 0.68074844E+03 F= 0.62866945E+03 E0= 0.65757458E+03 EK= 0.52079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335721756850E+03 -0.10415E+01 -0.16640E-01 7680 0.233E+01 0.346E-01 RMM: 2 -0.335734924725E+03 -0.13168E-01 -0.76269E-02 5174 0.659E-01 0.112E+00 RMM: 3 -0.335726353306E+03 0.85714E-02 -0.81824E-03 5418 0.200E-01 0.244E-01 RMM: 4 -0.335726966931E+03 -0.61363E-03 -0.19512E-03 4958 0.110E-01 0.407E-01 RMM: 5 -0.335726034116E+03 0.93282E-03 -0.82840E-04 4601 0.787E-02 0.191E-01 RMM: 6 -0.335725828340E+03 0.20578E-03 -0.22501E-04 3890 0.390E-02 0.886E-02 RMM: 7 -0.335725876543E+03 -0.48203E-04 -0.11867E-04 3828 0.319E-02 0.124E-01 RMM: 8 -0.335725779693E+03 0.96850E-04 -0.46589E-05 3243 0.210E-02 0.347E-02 RMM: 9 -0.335725781779E+03 -0.20857E-05 -0.13234E-05 2502 0.105E-02 6590 T= 6027. E= 0.67782057E+03 F= 0.62795802E+03 E0= 0.65688809E+03 EK= 0.49863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336861147794E+03 -0.11354E+01 -0.16647E-01 7752 0.230E+01 0.356E-01 RMM: 2 -0.336873389384E+03 -0.12242E-01 -0.82405E-02 5081 0.685E-01 0.103E+00 RMM: 3 -0.336866267154E+03 0.71222E-02 -0.93279E-03 5434 0.210E-01 0.253E-01 RMM: 4 -0.336867024793E+03 -0.75764E-03 -0.19071E-03 4948 0.107E-01 0.440E-01 RMM: 5 -0.336865928620E+03 0.10962E-02 -0.80287E-04 4608 0.764E-02 0.198E-01 RMM: 6 -0.336865699131E+03 0.22949E-03 -0.24258E-04 3904 0.407E-02 0.827E-02 RMM: 7 -0.336865762643E+03 -0.63513E-04 -0.11325E-04 3816 0.305E-02 0.130E-01 RMM: 8 -0.336865654386E+03 0.10826E-03 -0.55000E-05 3366 0.223E-02 0.312E-02 RMM: 9 -0.336865659004E+03 -0.46183E-05 -0.15546E-05 2508 0.116E-02 6591 T= 5897. E= 0.67594998E+03 F= 0.62716210E+03 E0= 0.65611882E+03 EK= 0.48788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338084531690E+03 -0.12189E+01 -0.16113E-01 7740 0.230E+01 0.347E-01 RMM: 2 -0.338093628200E+03 -0.90965E-02 -0.73952E-02 5035 0.647E-01 0.833E-01 RMM: 3 -0.338089017492E+03 0.46107E-02 -0.80324E-03 5459 0.193E-01 0.272E-01 RMM: 4 -0.338089860211E+03 -0.84272E-03 -0.19663E-03 5027 0.111E-01 0.457E-01 RMM: 5 -0.338088516705E+03 0.13435E-02 -0.83388E-04 4604 0.776E-02 0.143E-01 RMM: 6 -0.338088426743E+03 0.89962E-04 -0.17499E-04 3881 0.339E-02 0.940E-02 RMM: 7 -0.338088447694E+03 -0.20952E-04 -0.88101E-05 3687 0.271E-02 0.112E-01 RMM: 8 -0.338088367883E+03 0.79811E-04 -0.40174E-05 3147 0.195E-02 0.285E-02 RMM: 9 -0.338088374268E+03 -0.63851E-05 -0.12520E-05 2495 0.998E-03 6592 T= 5936. E= 0.67539594E+03 F= 0.62628925E+03 E0= 0.65527267E+03 EK= 0.49107E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339351165880E+03 -0.12628E+01 -0.16882E-01 7668 0.233E+01 0.382E-01 RMM: 2 -0.339364792424E+03 -0.13627E-01 -0.92749E-02 4924 0.732E-01 0.108E+00 RMM: 3 -0.339356930314E+03 0.78621E-02 -0.10828E-02 5442 0.224E-01 0.263E-01 RMM: 4 -0.339357916004E+03 -0.98569E-03 -0.22567E-03 5134 0.115E-01 0.482E-01 RMM: 5 -0.339356484719E+03 0.14313E-02 -0.88292E-04 4606 0.795E-02 0.172E-01 RMM: 6 -0.339356312085E+03 0.17263E-03 -0.20494E-04 3894 0.370E-02 0.753E-02 RMM: 7 -0.339356380599E+03 -0.68513E-04 -0.89773E-05 3661 0.261E-02 0.128E-01 RMM: 8 -0.339356274285E+03 0.10631E-03 -0.48316E-05 3264 0.212E-02 0.306E-02 RMM: 9 -0.339356276730E+03 -0.24457E-05 -0.13413E-05 2495 0.105E-02 6593 T= 6127. E= 0.67605835E+03 F= 0.62537257E+03 E0= 0.65438055E+03 EK= 0.50686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340601536019E+03 -0.12453E+01 -0.16738E-01 7824 0.238E+01 0.382E-01 RMM: 2 -0.340612263525E+03 -0.10728E-01 -0.74036E-02 5113 0.658E-01 0.100E+00 RMM: 3 -0.340605588409E+03 0.66751E-02 -0.84421E-03 5407 0.202E-01 0.272E-01 RMM: 4 -0.340606702779E+03 -0.11144E-02 -0.21826E-03 5056 0.115E-01 0.503E-01 RMM: 5 -0.340605111783E+03 0.15910E-02 -0.88252E-04 4603 0.798E-02 0.156E-01 RMM: 6 -0.340604971971E+03 0.13981E-03 -0.16823E-04 3878 0.330E-02 0.746E-02 RMM: 7 -0.340605020431E+03 -0.48459E-04 -0.86083E-05 3642 0.257E-02 0.116E-01 RMM: 8 -0.340604932797E+03 0.87634E-04 -0.43528E-05 3199 0.203E-02 0.269E-02 RMM: 9 -0.340604939452E+03 -0.66555E-05 -0.13164E-05 2502 0.102E-02 6594 T= 6409. E= 0.67749209E+03 F= 0.62447298E+03 E0= 0.65350337E+03 EK= 0.53019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341746939873E+03 -0.11420E+01 -0.17519E-01 7836 0.243E+01 0.394E-01 RMM: 2 -0.341758922973E+03 -0.11983E-01 -0.84347E-02 5049 0.708E-01 0.105E+00 RMM: 3 -0.341751852623E+03 0.70703E-02 -0.10166E-02 5416 0.222E-01 0.283E-01 RMM: 4 -0.341752975161E+03 -0.11225E-02 -0.22691E-03 5113 0.114E-01 0.512E-01 RMM: 5 -0.341751336414E+03 0.16387E-02 -0.87963E-04 4605 0.792E-02 0.164E-01 RMM: 6 -0.341751176649E+03 0.15976E-03 -0.17356E-04 3879 0.337E-02 0.721E-02 RMM: 7 -0.341751234797E+03 -0.58148E-04 -0.90507E-05 3693 0.257E-02 0.121E-01 RMM: 8 -0.341751138948E+03 0.95849E-04 -0.49164E-05 3275 0.212E-02 0.299E-02 RMM: 9 -0.341751141957E+03 -0.30090E-05 -0.14265E-05 2501 0.108E-02 6595 T= 6682. E= 0.67895085E+03 F= 0.62367242E+03 E0= 0.65272208E+03 EK= 0.55278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342707275297E+03 -0.95614E+00 -0.18054E-01 7920 0.248E+01 0.387E-01 RMM: 2 -0.342718347638E+03 -0.11072E-01 -0.78544E-02 5038 0.689E-01 0.100E+00 RMM: 3 -0.342711699981E+03 0.66477E-02 -0.91841E-03 5414 0.212E-01 0.272E-01 RMM: 4 -0.342712861438E+03 -0.11615E-02 -0.22018E-03 5102 0.115E-01 0.510E-01 RMM: 5 -0.342711191205E+03 0.16702E-02 -0.89348E-04 4601 0.803E-02 0.143E-01 RMM: 6 -0.342711083230E+03 0.10797E-03 -0.16181E-04 3875 0.323E-02 0.795E-02 RMM: 7 -0.342711129246E+03 -0.46016E-04 -0.86369E-05 3641 0.255E-02 0.118E-01 RMM: 8 -0.342711038100E+03 0.91147E-04 -0.46940E-05 3236 0.209E-02 0.278E-02 RMM: 9 -0.342711044143E+03 -0.60439E-05 -0.13438E-05 2502 0.104E-02 6596 T= 6835. E= 0.67960216E+03 F= 0.62305602E+03 E0= 0.65212206E+03 EK= 0.56546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343417353819E+03 -0.70632E+00 -0.18998E-01 7764 0.249E+01 0.372E-01 RMM: 2 -0.343427024582E+03 -0.96708E-02 -0.82442E-02 4884 0.703E-01 0.850E-01 RMM: 3 -0.343422447928E+03 0.45767E-02 -0.97698E-03 5437 0.215E-01 0.279E-01 RMM: 4 -0.343423503899E+03 -0.10560E-02 -0.20014E-03 5119 0.109E-01 0.502E-01 RMM: 5 -0.343421896011E+03 0.16079E-02 -0.86645E-04 4604 0.790E-02 0.145E-01 RMM: 6 -0.343421790588E+03 0.10542E-03 -0.16889E-04 3876 0.331E-02 0.844E-02 RMM: 7 -0.343421825103E+03 -0.34515E-04 -0.86125E-05 3674 0.258E-02 0.114E-01 RMM: 8 -0.343421740773E+03 0.84329E-04 -0.46247E-05 3218 0.206E-02 0.279E-02 RMM: 9 -0.343421747124E+03 -0.63508E-05 -0.15440E-05 2508 0.113E-02 6597 T= 6799. E= 0.67893692E+03 F= 0.62268993E+03 E0= 0.65176813E+03 EK= 0.56247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343855148855E+03 -0.43341E+00 -0.18585E-01 7704 0.247E+01 0.355E-01 RMM: 2 -0.343864420233E+03 -0.92714E-02 -0.76312E-02 4883 0.671E-01 0.839E-01 RMM: 3 -0.343859777859E+03 0.46424E-02 -0.88025E-03 5433 0.202E-01 0.261E-01 RMM: 4 -0.343860740392E+03 -0.96253E-03 -0.20284E-03 5157 0.113E-01 0.480E-01 RMM: 5 -0.343859248908E+03 0.14915E-02 -0.89454E-04 4604 0.812E-02 0.119E-01 RMM: 6 -0.343859225613E+03 0.23295E-04 -0.17112E-04 3876 0.333E-02 0.111E-01 RMM: 7 -0.343859201137E+03 0.24476E-04 -0.75372E-05 3581 0.257E-02 0.962E-02 RMM: 8 -0.343859143062E+03 0.58074E-04 -0.33341E-05 3036 0.177E-02 0.276E-02 RMM: 9 -0.343859154063E+03 -0.11001E-04 -0.13716E-05 2499 0.106E-02 6598 T= 6587. E= 0.67709434E+03 F= 0.62260206E+03 E0= 0.65168750E+03 EK= 0.54492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344038586020E+03 -0.17944E+00 -0.17938E-01 7536 0.243E+01 0.344E-01 RMM: 2 -0.344046977287E+03 -0.83913E-02 -0.75394E-02 4903 0.662E-01 0.756E-01 RMM: 3 -0.344043278772E+03 0.36985E-02 -0.86623E-03 5470 0.198E-01 0.259E-01 RMM: 4 -0.344044209845E+03 -0.93107E-03 -0.17915E-03 5079 0.107E-01 0.474E-01 RMM: 5 -0.344042787260E+03 0.14226E-02 -0.83374E-04 4606 0.779E-02 0.150E-01 RMM: 6 -0.344042706795E+03 0.80465E-04 -0.22407E-04 3890 0.387E-02 0.109E-01 RMM: 7 -0.344042709547E+03 -0.27525E-05 -0.99282E-05 3820 0.301E-02 6599 T= 6287. E= 0.67478336E+03 F= 0.62277574E+03 E0= 0.65186207E+03 EK= 0.52008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344018152005E+03 0.24555E-01 -0.16695E-01 7548 0.238E+01 0.371E-01 RMM: 2 -0.344023760273E+03 -0.56083E-02 -0.65489E-02 5030 0.618E-01 0.584E-01 RMM: 3 -0.344021948098E+03 0.18122E-02 -0.71041E-03 5413 0.183E-01 0.341E-01 RMM: 4 -0.344022858954E+03 -0.91086E-03 -0.19114E-03 4999 0.112E-01 0.529E-01 RMM: 5 -0.344021046233E+03 0.18127E-02 -0.11540E-03 4618 0.922E-02 0.110E-01 RMM: 6 -0.344021157752E+03 -0.11152E-03 -0.29097E-04 3919 0.446E-02 0.175E-01 RMM: 7 -0.344021009400E+03 0.14835E-03 -0.13009E-04 3826 0.355E-02 0.966E-02 RMM: 8 -0.344020955369E+03 0.54031E-04 -0.40170E-05 3113 0.187E-02 0.393E-02 RMM: 9 -0.344020976807E+03 -0.21439E-04 -0.25239E-05 2635 0.146E-02 0.620E-02 RMM: 10 -0.344020959658E+03 0.17149E-04 -0.18767E-05 2534 0.138E-02 6600 T= 6010. E= 0.67287993E+03 F= 0.62316283E+03 E0= 0.65224220E+03 EK= 0.49717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343843877888E+03 0.17710E+00 -0.16533E-01 7620 0.234E+01 0.303E-01 RMM: 2 -0.343852660734E+03 -0.87828E-02 -0.72819E-02 4901 0.659E-01 0.781E-01 RMM: 3 -0.343848672083E+03 0.39887E-02 -0.85333E-03 5505 0.192E-01 0.211E-01 RMM: 4 -0.343849282743E+03 -0.61066E-03 -0.15084E-03 4909 0.997E-02 0.394E-01 RMM: 5 -0.343848303427E+03 0.97932E-03 -0.70172E-04 4596 0.722E-02 0.138E-01 RMM: 6 -0.343848241167E+03 0.62260E-04 -0.23109E-04 3896 0.397E-02 0.105E-01 RMM: 7 -0.343848228238E+03 0.12930E-04 -0.77872E-05 3648 0.279E-02 6601 T= 5846. E= 0.67206762E+03 F= 0.62370659E+03 E0= 0.65277351E+03 EK= 0.48361E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343562476714E+03 0.28576E+00 -0.16158E-01 7572 0.232E+01 0.399E-01 RMM: 2 -0.343568250977E+03 -0.57743E-02 -0.60237E-02 5096 0.601E-01 0.722E-01 RMM: 3 -0.343565305741E+03 0.29452E-02 -0.68595E-03 5388 0.184E-01 0.325E-01 RMM: 4 -0.343566534279E+03 -0.12285E-02 -0.21432E-03 5098 0.117E-01 0.561E-01 RMM: 5 -0.343564486496E+03 0.20478E-02 -0.11764E-03 4609 0.928E-02 0.135E-01 RMM: 6 -0.343564493445E+03 -0.69488E-05 -0.27768E-04 3912 0.431E-02 0.146E-01 RMM: 7 -0.343564426653E+03 0.66791E-04 -0.11450E-04 3840 0.329E-02 0.111E-01 RMM: 8 -0.343564350659E+03 0.75994E-04 -0.45475E-05 3220 0.200E-02 0.365E-02 RMM: 9 -0.343564369771E+03 -0.19112E-04 -0.24194E-05 2653 0.142E-02 6602 T= 5843. E= 0.67270187E+03 F= 0.62436247E+03 E0= 0.65341131E+03 EK= 0.48339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343182618670E+03 0.38173E+00 -0.17087E-01 7704 0.234E+01 0.307E-01 RMM: 2 -0.343191573677E+03 -0.89550E-02 -0.77212E-02 4836 0.671E-01 0.757E-01 RMM: 3 -0.343187745349E+03 0.38283E-02 -0.88780E-03 5554 0.192E-01 0.201E-01 RMM: 4 -0.343188534800E+03 -0.78945E-03 -0.14542E-03 4876 0.969E-02 0.422E-01 RMM: 5 -0.343187357954E+03 0.11768E-02 -0.60278E-04 4577 0.651E-02 0.914E-02 RMM: 6 -0.343187375204E+03 -0.17250E-04 -0.16221E-04 3883 0.328E-02 6603 T= 6007. E= 0.67480461E+03 F= 0.62510699E+03 E0= 0.65413357E+03 EK= 0.49698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342712236414E+03 0.47512E+00 -0.17638E-01 7536 0.238E+01 0.456E-01 RMM: 2 -0.342736220769E+03 -0.23984E-01 -0.77362E-02 5060 0.683E-01 0.174E+00 RMM: 3 -0.342715839255E+03 0.20382E-01 -0.12745E-02 5339 0.274E-01 0.314E-01 RMM: 4 -0.342716635638E+03 -0.79638E-03 -0.28435E-03 5308 0.126E-01 0.480E-01 RMM: 5 -0.342715557561E+03 0.10781E-02 -0.99219E-04 4608 0.826E-02 0.291E-01 RMM: 6 -0.342715017662E+03 0.53990E-03 -0.39356E-04 4065 0.524E-02 0.915E-02 RMM: 7 -0.342715107016E+03 -0.89354E-04 -0.16613E-04 3872 0.348E-02 0.150E-01 RMM: 8 -0.342714962428E+03 0.14459E-03 -0.84462E-05 3633 0.278E-02 0.387E-02 RMM: 9 -0.342714968364E+03 -0.59359E-05 -0.20685E-05 2621 0.132E-02 6604 T= 6299. E= 0.67805028E+03 F= 0.62593792E+03 E0= 0.65494132E+03 EK= 0.52112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342132156873E+03 0.58281E+00 -0.18400E-01 7728 0.244E+01 0.405E-01 RMM: 2 -0.342155251035E+03 -0.23094E-01 -0.76222E-02 5045 0.683E-01 0.167E+00 RMM: 3 -0.342136119011E+03 0.19132E-01 -0.11918E-02 5360 0.264E-01 0.311E-01 RMM: 4 -0.342136350533E+03 -0.23152E-03 -0.25708E-03 5225 0.119E-01 0.375E-01 RMM: 5 -0.342135796876E+03 0.55366E-03 -0.66873E-04 4596 0.688E-02 0.260E-01 RMM: 6 -0.342135336148E+03 0.46073E-03 -0.21536E-04 3885 0.390E-02 0.409E-02 RMM: 7 -0.342135378632E+03 -0.42484E-04 -0.61266E-05 3399 0.215E-02 0.932E-02 RMM: 8 -0.342135323920E+03 0.54712E-04 -0.29017E-05 2890 0.175E-02 0.249E-02 RMM: 9 -0.342135325365E+03 -0.14455E-05 -0.88597E-06 2465 0.829E-03 6605 T= 6633. E= 0.68173382E+03 F= 0.62686508E+03 E0= 0.65584591E+03 EK= 0.54869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341441119112E+03 0.69420E+00 -0.19478E-01 7560 0.250E+01 0.370E-01 RMM: 2 -0.341453393396E+03 -0.12274E-01 -0.77275E-02 5142 0.669E-01 0.109E+00 RMM: 3 -0.341445571411E+03 0.78220E-02 -0.88029E-03 5384 0.209E-01 0.273E-01 RMM: 4 -0.341446498189E+03 -0.92678E-03 -0.20952E-03 4978 0.110E-01 0.475E-01 RMM: 5 -0.341445102384E+03 0.13958E-02 -0.80214E-04 4607 0.754E-02 0.165E-01 RMM: 6 -0.341444952335E+03 0.15005E-03 -0.18403E-04 3876 0.347E-02 0.824E-02 RMM: 7 -0.341444988073E+03 -0.35738E-04 -0.90665E-05 3710 0.267E-02 0.113E-01 RMM: 8 -0.341444903785E+03 0.84287E-04 -0.45016E-05 3237 0.204E-02 0.294E-02 RMM: 9 -0.341444908605E+03 -0.48198E-05 -0.14778E-05 2508 0.110E-02 6606 T= 6887. E= 0.68486944E+03 F= 0.62789304E+03 E0= 0.65685521E+03 EK= 0.56976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340664394246E+03 0.78051E+00 -0.19980E-01 7584 0.253E+01 0.343E-01 RMM: 2 -0.340674247600E+03 -0.98534E-02 -0.80736E-02 5066 0.681E-01 0.865E-01 RMM: 3 -0.340669464822E+03 0.47828E-02 -0.89769E-03 5493 0.203E-01 0.252E-01 RMM: 4 -0.340670401271E+03 -0.93645E-03 -0.17388E-03 4898 0.103E-01 0.460E-01 RMM: 5 -0.340669038187E+03 0.13631E-02 -0.65119E-04 4569 0.658E-02 0.141E-01 RMM: 6 -0.340668949114E+03 0.89073E-04 -0.18508E-04 3873 0.350E-02 0.904E-02 RMM: 7 -0.340668992297E+03 -0.43182E-04 -0.82213E-05 3593 0.250E-02 0.123E-01 RMM: 8 -0.340668895745E+03 0.96552E-04 -0.46605E-05 3227 0.210E-02 0.266E-02 RMM: 9 -0.340668902500E+03 -0.67554E-05 -0.13259E-05 2501 0.103E-02 6607 T= 6959. E= 0.68656616E+03 F= 0.62900019E+03 E0= 0.65795017E+03 EK= 0.57566E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339868893567E+03 0.80000E+00 -0.19760E-01 7512 0.252E+01 0.329E-01 RMM: 2 -0.339879934983E+03 -0.11041E-01 -0.85980E-02 5099 0.695E-01 0.905E-01 RMM: 3 -0.339874543108E+03 0.53919E-02 -0.88061E-03 5550 0.194E-01 0.224E-01 RMM: 4 -0.339875239114E+03 -0.69601E-03 -0.17661E-03 4900 0.105E-01 0.417E-01 RMM: 5 -0.339874157106E+03 0.10820E-02 -0.74829E-04 4605 0.737E-02 0.149E-01 RMM: 6 -0.339874073864E+03 0.83242E-04 -0.20333E-04 3880 0.364E-02 0.108E-01 RMM: 7 -0.339874087594E+03 -0.13730E-04 -0.97409E-05 3789 0.290E-02 6608 T= 6818. E= 0.68652829E+03 F= 0.63012455E+03 E0= 0.65907111E+03 EK= 0.56404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339157045429E+03 0.71703E+00 -0.19141E-01 7440 0.247E+01 0.361E-01 RMM: 2 -0.339170376101E+03 -0.13331E-01 -0.88986E-02 5159 0.717E-01 0.107E+00 RMM: 3 -0.339162755908E+03 0.76202E-02 -0.97214E-03 5476 0.213E-01 0.264E-01 RMM: 4 -0.339163236126E+03 -0.48022E-03 -0.18616E-03 4911 0.106E-01 0.400E-01 RMM: 5 -0.339162266307E+03 0.96982E-03 -0.94009E-04 4608 0.838E-02 0.181E-01 RMM: 6 -0.339162156843E+03 0.10946E-03 -0.27514E-04 3887 0.428E-02 0.133E-01 RMM: 7 -0.339162148495E+03 0.83475E-05 -0.15249E-04 3874 0.372E-02 6609 T= 6535. E= 0.68523034E+03 F= 0.63116885E+03 E0= 0.66012040E+03 EK= 0.54061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338640237398E+03 0.52192E+00 -0.19112E-01 7668 0.241E+01 0.338E-01 RMM: 2 -0.338654255266E+03 -0.14018E-01 -0.10096E-01 5054 0.767E-01 0.102E+00 RMM: 3 -0.338647364913E+03 0.68904E-02 -0.10840E-02 5531 0.218E-01 0.269E-01 RMM: 4 -0.338647497307E+03 -0.13239E-03 -0.17866E-03 4937 0.105E-01 0.341E-01 RMM: 5 -0.338646956479E+03 0.54083E-03 -0.89273E-04 4607 0.820E-02 0.218E-01 RMM: 6 -0.338646721194E+03 0.23529E-03 -0.34843E-04 3992 0.489E-02 0.120E-01 RMM: 7 -0.338646773803E+03 -0.52609E-04 -0.16723E-04 3872 0.384E-02 0.150E-01 RMM: 8 -0.338646629970E+03 0.14383E-03 -0.71380E-05 3528 0.253E-02 0.380E-02 RMM: 9 -0.338646638742E+03 -0.87721E-05 -0.18376E-05 2556 0.123E-02 6610 T= 6232. E= 0.68357934E+03 F= 0.63202212E+03 E0= 0.66098674E+03 EK= 0.51557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338418894583E+03 0.22774E+00 -0.18045E-01 7656 0.236E+01 0.307E-01 RMM: 2 -0.338434177353E+03 -0.15283E-01 -0.91627E-02 5102 0.718E-01 0.113E+00 RMM: 3 -0.338425398306E+03 0.87790E-02 -0.99681E-03 5466 0.212E-01 0.205E-01 RMM: 4 -0.338425817683E+03 -0.41938E-03 -0.14164E-03 4746 0.903E-02 0.356E-01 RMM: 5 -0.338425039494E+03 0.77819E-03 -0.73071E-04 4608 0.758E-02 0.135E-01 RMM: 6 -0.338425017203E+03 0.22291E-04 -0.23404E-04 3896 0.393E-02 0.126E-01 RMM: 7 -0.338424991789E+03 0.25413E-04 -0.10701E-04 3830 0.310E-02 0.112E-01 RMM: 8 -0.338424907718E+03 0.84072E-04 -0.44909E-05 3232 0.203E-02 0.254E-02 RMM: 9 -0.338424910735E+03 -0.30178E-05 -0.86829E-06 2477 0.853E-03 6611 T= 6024. E= 0.68242086E+03 F= 0.63258700E+03 E0= 0.66157236E+03 EK= 0.49834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338553454367E+03 -0.12855E+00 -0.17386E-01 7788 0.232E+01 0.350E-01 RMM: 2 -0.338564339466E+03 -0.10885E-01 -0.83338E-02 5168 0.690E-01 0.931E-01 RMM: 3 -0.338558736122E+03 0.56033E-02 -0.87106E-03 5473 0.199E-01 0.249E-01 RMM: 4 -0.338559407018E+03 -0.67090E-03 -0.18205E-03 4862 0.105E-01 0.434E-01 RMM: 5 -0.338558331236E+03 0.10758E-02 -0.92693E-04 4604 0.839E-02 0.185E-01 RMM: 6 -0.338558174411E+03 0.15682E-03 -0.25235E-04 3890 0.409E-02 0.115E-01 RMM: 7 -0.338558178135E+03 -0.37239E-05 -0.13594E-04 3856 0.354E-02 6612 T= 5979. E= 0.68225872E+03 F= 0.63279986E+03 E0= 0.66181171E+03 EK= 0.49459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339057911691E+03 -0.49974E+00 -0.17605E-01 7740 0.233E+01 0.367E-01 RMM: 2 -0.339068775126E+03 -0.10863E-01 -0.96270E-02 5058 0.722E-01 0.815E-01 RMM: 3 -0.339064429800E+03 0.43453E-02 -0.10101E-02 5597 0.201E-01 0.271E-01 RMM: 4 -0.339065352338E+03 -0.92254E-03 -0.20697E-03 5022 0.115E-01 0.492E-01 RMM: 5 -0.339063800996E+03 0.15513E-02 -0.10114E-03 4608 0.852E-02 0.137E-01 RMM: 6 -0.339063809218E+03 -0.82225E-05 -0.23604E-04 3897 0.394E-02 0.145E-01 RMM: 7 -0.339063766733E+03 0.42485E-04 -0.11890E-04 3858 0.323E-02 0.122E-01 RMM: 8 -0.339063674230E+03 0.92503E-04 -0.56562E-05 3376 0.221E-02 0.348E-02 RMM: 9 -0.339063693327E+03 -0.19097E-04 -0.23430E-05 2688 0.140E-02 6613 T= 6111. E= 0.68319683E+03 F= 0.63263981E+03 E0= 0.66168199E+03 EK= 0.50557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339910542163E+03 -0.84687E+00 -0.17769E-01 8088 0.236E+01 0.330E-01 RMM: 2 -0.339924945998E+03 -0.14404E-01 -0.97078E-02 5062 0.733E-01 0.109E+00 RMM: 3 -0.339917061504E+03 0.78845E-02 -0.10411E-02 5514 0.217E-01 0.212E-01 RMM: 4 -0.339917852703E+03 -0.79120E-03 -0.17140E-03 4822 0.985E-02 0.428E-01 RMM: 5 -0.339916764450E+03 0.10883E-02 -0.61691E-04 4580 0.655E-02 0.148E-01 RMM: 6 -0.339916627829E+03 0.13662E-03 -0.16643E-04 3878 0.333E-02 0.593E-02 RMM: 7 -0.339916676225E+03 -0.48395E-04 -0.60009E-05 3413 0.216E-02 0.105E-01 RMM: 8 -0.339916602211E+03 0.74014E-04 -0.31848E-05 2983 0.182E-02 0.223E-02 RMM: 9 -0.339916602252E+03 -0.41242E-07 -0.66806E-06 2461 0.708E-03 6614 T= 6383. E= 0.68493618E+03 F= 0.63212848E+03 E0= 0.66120358E+03 EK= 0.52808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341046919233E+03 -0.11303E+01 -0.18393E-01 8244 0.241E+01 0.382E-01 RMM: 2 -0.341058370520E+03 -0.11451E-01 -0.10392E-01 5114 0.741E-01 0.837E-01 RMM: 3 -0.341053812641E+03 0.45579E-02 -0.10468E-02 5518 0.215E-01 0.317E-01 RMM: 4 -0.341054729427E+03 -0.91679E-03 -0.21653E-03 5008 0.114E-01 0.506E-01 RMM: 5 -0.341053097826E+03 0.16316E-02 -0.94398E-04 4604 0.813E-02 0.159E-01 RMM: 6 -0.341052964023E+03 0.13380E-03 -0.19028E-04 3888 0.353E-02 0.860E-02 RMM: 7 -0.341053018485E+03 -0.54462E-04 -0.10359E-04 3850 0.271E-02 0.128E-01 RMM: 8 -0.341052912547E+03 0.10594E-03 -0.56441E-05 3361 0.224E-02 0.370E-02 RMM: 9 -0.341052914300E+03 -0.17524E-05 -0.17205E-05 2529 0.120E-02 6615 T= 6702. E= 0.68677555E+03 F= 0.63132854E+03 E0= 0.66043832E+03 EK= 0.55447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342373967041E+03 -0.13211E+01 -0.19598E-01 8208 0.245E+01 0.395E-01 RMM: 2 -0.342391856299E+03 -0.17889E-01 -0.11694E-01 5173 0.785E-01 0.124E+00 RMM: 3 -0.342381413500E+03 0.10443E-01 -0.12132E-02 5541 0.235E-01 0.227E-01 RMM: 4 -0.342382695472E+03 -0.12820E-02 -0.22895E-03 5044 0.114E-01 0.524E-01 RMM: 5 -0.342381031870E+03 0.16636E-02 -0.84371E-04 4586 0.764E-02 0.154E-01 RMM: 6 -0.342380898713E+03 0.13316E-03 -0.17792E-04 3872 0.335E-02 0.785E-02 RMM: 7 -0.342380960026E+03 -0.61313E-04 -0.99261E-05 3722 0.267E-02 0.126E-01 RMM: 8 -0.342380860740E+03 0.99287E-04 -0.53712E-05 3305 0.220E-02 0.311E-02 RMM: 9 -0.342380865574E+03 -0.48341E-05 -0.13689E-05 2510 0.104E-02 6616 T= 6941. E= 0.68775147E+03 F= 0.63033312E+03 E0= 0.65947685E+03 EK= 0.57418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343792754097E+03 -0.14119E+01 -0.20140E-01 8220 0.247E+01 0.371E-01 RMM: 2 -0.343806982402E+03 -0.14228E-01 -0.12506E-01 5148 0.792E-01 0.881E-01 RMM: 3 -0.343801485859E+03 0.54965E-02 -0.12018E-02 5556 0.226E-01 0.310E-01 RMM: 4 -0.343802279172E+03 -0.79331E-03 -0.21837E-03 5041 0.113E-01 0.484E-01 RMM: 5 -0.343800798022E+03 0.14811E-02 -0.88315E-04 4601 0.788E-02 0.159E-01 RMM: 6 -0.343800653522E+03 0.14450E-03 -0.17402E-04 3879 0.336E-02 0.750E-02 RMM: 7 -0.343800709010E+03 -0.55488E-04 -0.93710E-05 3754 0.259E-02 0.122E-01 RMM: 8 -0.343800614466E+03 0.94544E-04 -0.49733E-05 3275 0.212E-02 0.317E-02 RMM: 9 -0.343800619595E+03 -0.51291E-05 -0.15818E-05 2514 0.113E-02 6617 T= 6988. E= 0.68705751E+03 F= 0.62924583E+03 E0= 0.65842237E+03 EK= 0.57812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345221122976E+03 -0.14205E+01 -0.19821E-01 8292 0.245E+01 0.388E-01 RMM: 2 -0.345238408222E+03 -0.17285E-01 -0.12027E-01 5142 0.791E-01 0.117E+00 RMM: 3 -0.345229101506E+03 0.93067E-02 -0.12951E-02 5628 0.237E-01 0.237E-01 RMM: 4 -0.345230231200E+03 -0.11297E-02 -0.23453E-03 5098 0.117E-01 0.507E-01 RMM: 5 -0.345228655211E+03 0.15760E-02 -0.87155E-04 4596 0.781E-02 0.164E-01 RMM: 6 -0.345228518983E+03 0.13623E-03 -0.20219E-04 3878 0.363E-02 0.907E-02 RMM: 7 -0.345228563792E+03 -0.44809E-04 -0.10388E-04 3798 0.280E-02 0.124E-01 RMM: 8 -0.345228465673E+03 0.98119E-04 -0.51032E-05 3303 0.213E-02 0.322E-02 RMM: 9 -0.345228469616E+03 -0.39434E-05 -0.14250E-05 2504 0.106E-02 6618 T= 6817. E= 0.68455379E+03 F= 0.62815539E+03 E0= 0.65736234E+03 EK= 0.56398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346606572420E+03 -0.13781E+01 -0.19331E-01 8352 0.241E+01 0.360E-01 RMM: 2 -0.346620668129E+03 -0.14096E-01 -0.11591E-01 5135 0.763E-01 0.929E-01 RMM: 3 -0.346614659648E+03 0.60085E-02 -0.11839E-02 5584 0.223E-01 0.281E-01 RMM: 4 -0.346615450500E+03 -0.79085E-03 -0.21366E-03 5069 0.114E-01 0.471E-01 RMM: 5 -0.346614090965E+03 0.13595E-02 -0.91702E-04 4606 0.810E-02 0.170E-01 RMM: 6 -0.346613948873E+03 0.14209E-03 -0.24038E-04 3892 0.401E-02 0.936E-02 RMM: 7 -0.346614001775E+03 -0.52901E-04 -0.99198E-05 3762 0.285E-02 0.130E-01 RMM: 8 -0.346613894193E+03 0.10758E-03 -0.46694E-05 3255 0.206E-02 0.332E-02 RMM: 9 -0.346613898925E+03 -0.47322E-05 -0.15316E-05 2507 0.112E-02 6619 T= 6500. E= 0.68089212E+03 F= 0.62711693E+03 E0= 0.65635235E+03 EK= 0.53775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347927823084E+03 -0.13139E+01 -0.18637E-01 8148 0.235E+01 0.373E-01 RMM: 2 -0.347944274259E+03 -0.16451E-01 -0.11575E-01 5107 0.767E-01 0.111E+00 RMM: 3 -0.347935585346E+03 0.86889E-02 -0.12225E-02 5608 0.230E-01 0.226E-01 RMM: 4 -0.347936501360E+03 -0.91601E-03 -0.22862E-03 5151 0.118E-01 0.470E-01 RMM: 5 -0.347935116836E+03 0.13845E-02 -0.93817E-04 4599 0.820E-02 0.148E-01 RMM: 6 -0.347935066492E+03 0.50344E-04 -0.22223E-04 3885 0.379E-02 0.126E-01 RMM: 7 -0.347935030522E+03 0.35969E-04 -0.10598E-04 3841 0.311E-02 0.104E-01 RMM: 8 -0.347934962640E+03 0.67882E-04 -0.39607E-05 3155 0.189E-02 0.301E-02 RMM: 9 -0.347934975836E+03 -0.13196E-04 -0.18162E-05 2520 0.123E-02 6620 T= 6160. E= 0.67711708E+03 F= 0.62615492E+03 E0= 0.65541640E+03 EK= 0.50962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349177419358E+03 -0.12425E+01 -0.17146E-01 8580 0.230E+01 0.358E-01 RMM: 2 -0.349190675810E+03 -0.13256E-01 -0.10194E-01 5204 0.702E-01 0.967E-01 RMM: 3 -0.349184015036E+03 0.66608E-02 -0.95118E-03 5556 0.202E-01 0.268E-01 RMM: 4 -0.349184853070E+03 -0.83803E-03 -0.21380E-03 5048 0.115E-01 0.472E-01 RMM: 5 -0.349183465175E+03 0.13879E-02 -0.99791E-04 4608 0.854E-02 0.160E-01 RMM: 6 -0.349183376113E+03 0.89061E-04 -0.26409E-04 3885 0.418E-02 0.117E-01 RMM: 7 -0.349183378286E+03 -0.21729E-05 -0.10899E-04 3825 0.312E-02 6621 T= 5908. E= 0.67415226E+03 F= 0.62527720E+03 E0= 0.65456237E+03 EK= 0.48875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350340051341E+03 -0.11567E+01 -0.16655E-01 8592 0.227E+01 0.397E-01 RMM: 2 -0.350349716633E+03 -0.96653E-02 -0.93591E-02 5245 0.671E-01 0.761E-01 RMM: 3 -0.350345639240E+03 0.40774E-02 -0.84562E-03 5567 0.190E-01 0.312E-01 RMM: 4 -0.350346770603E+03 -0.11314E-02 -0.23395E-03 5014 0.123E-01 0.548E-01 RMM: 5 -0.350344825596E+03 0.19450E-02 -0.11313E-03 4600 0.896E-02 0.133E-01 RMM: 6 -0.350344887957E+03 -0.62361E-04 -0.26634E-04 3900 0.415E-02 0.170E-01 RMM: 7 -0.350344732220E+03 0.15574E-03 -0.12512E-04 3867 0.348E-02 0.818E-02 RMM: 8 -0.350344699812E+03 0.32408E-04 -0.38267E-05 3122 0.181E-02 0.427E-02 RMM: 9 -0.350344727222E+03 -0.27409E-04 -0.22121E-05 2566 0.135E-02 0.707E-02 RMM: 10 -0.350344702863E+03 0.24359E-04 -0.17606E-05 2532 0.135E-02 0.197E-02 RMM: 11 -0.350344702038E+03 0.82409E-06 -0.38554E-06 2430 0.599E-03 6622 T= 5809. E= 0.67255119E+03 F= 0.62449456E+03 E0= 0.65380224E+03 EK= 0.48057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351382510527E+03 -0.10378E+01 -0.16823E-01 8436 0.228E+01 0.339E-01 RMM: 2 -0.351393720973E+03 -0.11210E-01 -0.93443E-02 5130 0.672E-01 0.864E-01 RMM: 3 -0.351388424534E+03 0.52964E-02 -0.90060E-03 5614 0.197E-01 0.247E-01 RMM: 4 -0.351389282804E+03 -0.85827E-03 -0.17578E-03 4833 0.104E-01 0.459E-01 RMM: 5 -0.351387962123E+03 0.13207E-02 -0.75366E-04 4598 0.725E-02 0.155E-01 RMM: 6 -0.351387831686E+03 0.13044E-03 -0.22671E-04 3894 0.391E-02 0.769E-02 RMM: 7 -0.351387833617E+03 -0.19312E-05 -0.56682E-05 3380 0.235E-02 6623 T= 5882. E= 0.67248876E+03 F= 0.62383256E+03 E0= 0.65316018E+03 EK= 0.48656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352255176983E+03 -0.86735E+00 -0.17020E-01 8568 0.231E+01 0.408E-01 RMM: 2 -0.352263583557E+03 -0.84066E-02 -0.83301E-02 5327 0.630E-01 0.761E-01 RMM: 3 -0.352259736227E+03 0.38473E-02 -0.76332E-03 5501 0.184E-01 0.339E-01 RMM: 4 -0.352260875803E+03 -0.11396E-02 -0.21694E-03 4911 0.115E-01 0.559E-01 RMM: 5 -0.352258794713E+03 0.20811E-02 -0.11023E-03 4599 0.875E-02 0.114E-01 RMM: 6 -0.352258859045E+03 -0.64332E-04 -0.23989E-04 3889 0.394E-02 0.155E-01 RMM: 7 -0.352258760956E+03 0.98089E-04 -0.90164E-05 3729 0.278E-02 0.103E-01 RMM: 8 -0.352258695665E+03 0.65291E-04 -0.44229E-05 3213 0.191E-02 0.338E-02 RMM: 9 -0.352258718802E+03 -0.23136E-04 -0.21736E-05 2588 0.134E-02 0.629E-02 RMM: 10 -0.352258700019E+03 0.18783E-04 -0.14284E-05 2510 0.126E-02 6624 T= 6100. E= 0.67380557E+03 F= 0.62333952E+03 E0= 0.65268311E+03 EK= 0.50466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352882398787E+03 -0.62368E+00 -0.17756E-01 8424 0.237E+01 0.337E-01 RMM: 2 -0.352890907580E+03 -0.85088E-02 -0.94438E-02 5161 0.668E-01 0.574E-01 RMM: 3 -0.352888760935E+03 0.21466E-02 -0.86316E-03 5652 0.186E-01 0.323E-01 RMM: 4 -0.352889140855E+03 -0.37992E-03 -0.13251E-03 4679 0.888E-02 0.430E-01 RMM: 5 -0.352887918428E+03 0.12224E-02 -0.59508E-04 4554 0.629E-02 0.101E-01 RMM: 6 -0.352887914552E+03 0.38764E-05 -0.16955E-04 3886 0.334E-02 6625 T= 6398. E= 0.67600999E+03 F= 0.62308072E+03 E0= 0.65243662E+03 EK= 0.52929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353205371791E+03 -0.31745E+00 -0.17642E-01 8676 0.243E+01 0.443E-01 RMM: 2 -0.353225539816E+03 -0.20168E-01 -0.83998E-02 5395 0.642E-01 0.154E+00 RMM: 3 -0.353209380226E+03 0.16160E-01 -0.10320E-02 5378 0.239E-01 0.335E-01 RMM: 4 -0.353210273160E+03 -0.89293E-03 -0.28015E-03 5225 0.126E-01 0.507E-01 RMM: 5 -0.353208716826E+03 0.15563E-02 -0.97563E-04 4603 0.817E-02 0.209E-01 RMM: 6 -0.353208480741E+03 0.23608E-03 -0.30145E-04 3911 0.456E-02 0.106E-01 RMM: 7 -0.353208580513E+03 -0.99772E-04 -0.14647E-04 3880 0.325E-02 0.163E-01 RMM: 8 -0.353208408307E+03 0.17221E-03 -0.80840E-05 3597 0.262E-02 0.410E-02 RMM: 9 -0.353208412343E+03 -0.40357E-05 -0.22986E-05 2690 0.138E-02 6626 T= 6672. E= 0.67832017E+03 F= 0.62312189E+03 E0= 0.65248826E+03 EK= 0.55198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353181329192E+03 0.27079E-01 -0.18235E-01 8340 0.246E+01 0.407E-01 RMM: 2 -0.353207891294E+03 -0.26562E-01 -0.86936E-02 5294 0.658E-01 0.179E+00 RMM: 3 -0.353185687452E+03 0.22204E-01 -0.11202E-02 5375 0.250E-01 0.239E-01 RMM: 4 -0.353186486845E+03 -0.79939E-03 -0.25472E-03 5126 0.119E-01 0.440E-01 RMM: 5 -0.353185419689E+03 0.10672E-02 -0.75619E-04 4608 0.731E-02 0.210E-01 RMM: 6 -0.353185142804E+03 0.27689E-03 -0.22875E-04 3892 0.397E-02 0.672E-02 RMM: 7 -0.353185212210E+03 -0.69406E-04 -0.91158E-05 3684 0.258E-02 0.125E-01 RMM: 8 -0.353185112884E+03 0.99326E-04 -0.44781E-05 3205 0.207E-02 0.310E-02 RMM: 9 -0.353185112490E+03 0.39426E-06 -0.11595E-05 2483 0.954E-03 6627 T= 6816. E= 0.67989020E+03 F= 0.62349961E+03 E0= 0.65287325E+03 EK= 0.56391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352840548407E+03 0.34456E+00 -0.18325E-01 8328 0.247E+01 0.376E-01 RMM: 2 -0.352856360251E+03 -0.15812E-01 -0.85168E-02 5271 0.645E-01 0.125E+00 RMM: 3 -0.352845470782E+03 0.10889E-01 -0.95543E-03 5391 0.221E-01 0.278E-01 RMM: 4 -0.352846100914E+03 -0.63013E-03 -0.20869E-03 4929 0.110E-01 0.427E-01 RMM: 5 -0.352845007632E+03 0.10933E-02 -0.76292E-04 4588 0.728E-02 0.193E-01 RMM: 6 -0.352844824190E+03 0.18344E-03 -0.25201E-04 3890 0.411E-02 0.109E-01 RMM: 7 -0.352844858995E+03 -0.34805E-04 -0.12740E-04 3872 0.317E-02 0.135E-01 RMM: 8 -0.352844743915E+03 0.11508E-03 -0.60007E-05 3409 0.229E-02 0.336E-02 RMM: 9 -0.352844751502E+03 -0.75862E-05 -0.19287E-05 2546 0.125E-02 6628 T= 6773. E= 0.68021817E+03 F= 0.62419056E+03 E0= 0.65357000E+03 EK= 0.56028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352277774044E+03 0.56697E+00 -0.17842E-01 7884 0.244E+01 0.324E-01 RMM: 2 -0.352289702715E+03 -0.11929E-01 -0.86809E-02 5196 0.652E-01 0.927E-01 RMM: 3 -0.352283414715E+03 0.62880E-02 -0.80234E-03 5486 0.191E-01 0.237E-01 RMM: 4 -0.352283840655E+03 -0.42594E-03 -0.16983E-03 4818 0.102E-01 0.380E-01 RMM: 5 -0.352282983326E+03 0.85733E-03 -0.82783E-04 4608 0.790E-02 0.164E-01 RMM: 6 -0.352282918178E+03 0.65148E-04 -0.27377E-04 3898 0.426E-02 0.133E-01 RMM: 7 -0.352282909454E+03 0.87236E-05 -0.11432E-04 3861 0.319E-02 6629 T= 6568. E= 0.67943712E+03 F= 0.62510286E+03 E0= 0.65448837E+03 EK= 0.54334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351635235578E+03 0.64768E+00 -0.17183E-01 7704 0.239E+01 0.346E-01 RMM: 2 -0.351644987639E+03 -0.97521E-02 -0.84915E-02 5175 0.660E-01 0.783E-01 RMM: 3 -0.351640833431E+03 0.41542E-02 -0.84418E-03 5575 0.188E-01 0.274E-01 RMM: 4 -0.351641306692E+03 -0.47326E-03 -0.18818E-03 4895 0.111E-01 0.423E-01 RMM: 5 -0.351640182091E+03 0.11246E-02 -0.10727E-03 4608 0.884E-02 0.150E-01 RMM: 6 -0.351640299869E+03 -0.11778E-03 -0.33961E-04 3946 0.475E-02 0.203E-01 RMM: 7 -0.351640083601E+03 0.21627E-03 -0.18045E-04 3884 0.416E-02 0.102E-01 RMM: 8 -0.351640026860E+03 0.56741E-04 -0.52102E-05 3304 0.210E-02 0.445E-02 RMM: 9 -0.351640055297E+03 -0.28437E-04 -0.28201E-05 2729 0.151E-02 0.723E-02 RMM: 10 -0.351640031118E+03 0.24179E-04 -0.21229E-05 2545 0.147E-02 0.242E-02 RMM: 11 -0.351640029417E+03 0.17003E-05 -0.50450E-06 2434 0.671E-03 6630 T= 6298. E= 0.67819938E+03 F= 0.62609860E+03 E0= 0.65548915E+03 EK= 0.52101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351052249744E+03 0.58778E+00 -0.15973E-01 7716 0.234E+01 0.273E-01 RMM: 2 -0.351061123498E+03 -0.88738E-02 -0.71965E-02 5132 0.622E-01 0.762E-01 RMM: 3 -0.351057179673E+03 0.39438E-02 -0.70728E-03 5663 0.169E-01 0.214E-01 RMM: 4 -0.351057315478E+03 -0.13580E-03 -0.11697E-03 4630 0.869E-02 0.308E-01 RMM: 5 -0.351056773535E+03 0.54194E-03 -0.74800E-04 4606 0.772E-02 0.154E-01 RMM: 6 -0.351056720371E+03 0.53164E-04 -0.29428E-04 3904 0.448E-02 0.127E-01 RMM: 7 -0.351056633279E+03 0.87092E-04 -0.10135E-04 3792 0.326E-02 0.632E-02 RMM: 8 -0.351056610563E+03 0.22716E-04 -0.14949E-05 2553 0.119E-02 0.265E-02 RMM: 9 -0.351056613164E+03 -0.26006E-05 -0.89685E-06 2458 0.873E-03 6631 T= 6073. E= 0.67727944E+03 F= 0.62703756E+03 E0= 0.65643485E+03 EK= 0.50242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350629149375E+03 0.42746E+00 -0.15544E-01 7764 0.230E+01 0.322E-01 RMM: 2 -0.350635440232E+03 -0.62909E-02 -0.65830E-02 5043 0.597E-01 0.587E-01 RMM: 3 -0.350633275198E+03 0.21650E-02 -0.67802E-03 5485 0.171E-01 0.274E-01 RMM: 4 -0.350633864938E+03 -0.58974E-03 -0.15149E-03 4746 0.986E-02 0.429E-01 RMM: 5 -0.350632703375E+03 0.11616E-02 -0.84703E-04 4608 0.782E-02 0.142E-01 RMM: 6 -0.350632670308E+03 0.33067E-04 -0.26868E-04 3900 0.426E-02 0.128E-01 RMM: 7 -0.350632621980E+03 0.48328E-04 -0.10742E-04 3835 0.322E-02 0.995E-02 RMM: 8 -0.350632562899E+03 0.59081E-04 -0.32430E-05 3008 0.174E-02 0.347E-02 RMM: 9 -0.350632576827E+03 -0.13928E-04 -0.18510E-05 2535 0.122E-02 6632 T= 5975. E= 0.67724570E+03 F= 0.62781777E+03 E0= 0.65722145E+03 EK= 0.49428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350409144048E+03 0.22342E+00 -0.15948E-01 7812 0.229E+01 0.301E-01 RMM: 2 -0.350414769743E+03 -0.56257E-02 -0.64989E-02 5099 0.584E-01 0.490E-01 RMM: 3 -0.350413289011E+03 0.14807E-02 -0.64056E-03 5530 0.161E-01 0.269E-01 RMM: 4 -0.350413737154E+03 -0.44814E-03 -0.12937E-03 4689 0.923E-02 0.404E-01 RMM: 5 -0.350412717248E+03 0.10199E-02 -0.63698E-04 4584 0.669E-02 0.119E-01 RMM: 6 -0.350412709470E+03 0.77779E-05 -0.19794E-04 3890 0.361E-02 6633 T= 6037. E= 0.67833276E+03 F= 0.62839089E+03 E0= 0.65779900E+03 EK= 0.49942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350386269096E+03 0.26448E-01 -0.16541E-01 7956 0.231E+01 0.417E-01 RMM: 2 -0.350406485537E+03 -0.20216E-01 -0.72677E-02 5210 0.630E-01 0.157E+00 RMM: 3 -0.350389867104E+03 0.16618E-01 -0.10086E-02 5341 0.239E-01 0.316E-01 RMM: 4 -0.350390279427E+03 -0.41232E-03 -0.24430E-03 5073 0.116E-01 0.421E-01 RMM: 5 -0.350389411978E+03 0.86745E-03 -0.97711E-04 4608 0.833E-02 0.242E-01 RMM: 6 -0.350389074696E+03 0.33728E-03 -0.31368E-04 3894 0.461E-02 0.101E-01 RMM: 7 -0.350389151956E+03 -0.77259E-04 -0.16243E-04 3882 0.350E-02 0.146E-01 RMM: 8 -0.350389018903E+03 0.13305E-03 -0.81487E-05 3602 0.270E-02 0.485E-02 RMM: 9 -0.350389018374E+03 0.52883E-06 -0.21614E-05 2622 0.136E-02 6634 T= 6244. E= 0.68041754E+03 F= 0.62876125E+03 E0= 0.65817448E+03 EK= 0.51656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350506134360E+03 -0.11712E+00 -0.17624E-01 8148 0.235E+01 0.364E-01 RMM: 2 -0.350524190016E+03 -0.18056E-01 -0.79918E-02 5190 0.630E-01 0.140E+00 RMM: 3 -0.350510686408E+03 0.13504E-01 -0.97849E-03 5382 0.229E-01 0.279E-01 RMM: 4 -0.350511391835E+03 -0.70543E-03 -0.22956E-03 5046 0.113E-01 0.435E-01 RMM: 5 -0.350510328248E+03 0.10636E-02 -0.67726E-04 4584 0.681E-02 0.193E-01 RMM: 6 -0.350510087178E+03 0.24107E-03 -0.17501E-04 3880 0.348E-02 0.544E-02 RMM: 7 -0.350510123772E+03 -0.36594E-04 -0.64141E-05 3409 0.217E-02 0.970E-02 RMM: 8 -0.350510065206E+03 0.58566E-04 -0.35790E-05 3033 0.190E-02 0.290E-02 RMM: 9 -0.350510067560E+03 -0.23536E-05 -0.12646E-05 2492 0.102E-02 6635 T= 6531. E= 0.68300858E+03 F= 0.62897816E+03 E0= 0.65839284E+03 EK= 0.54030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350695385402E+03 -0.18532E+00 -0.19202E-01 8520 0.239E+01 0.393E-01 RMM: 2 -0.350712296807E+03 -0.16911E-01 -0.99084E-02 5264 0.701E-01 0.127E+00 RMM: 3 -0.350701270061E+03 0.11027E-01 -0.10702E-02 5402 0.231E-01 0.294E-01 RMM: 4 -0.350701940742E+03 -0.67068E-03 -0.23522E-03 5013 0.115E-01 0.447E-01 RMM: 5 -0.350700755810E+03 0.11849E-02 -0.76058E-04 4602 0.715E-02 0.185E-01 RMM: 6 -0.350700553503E+03 0.20231E-03 -0.18081E-04 3884 0.343E-02 0.799E-02 RMM: 7 -0.350700613663E+03 -0.60160E-04 -0.11516E-04 3876 0.286E-02 0.127E-01 RMM: 8 -0.350700512525E+03 0.10114E-03 -0.58588E-05 3385 0.227E-02 0.382E-02 RMM: 9 -0.350700514475E+03 -0.19496E-05 -0.17135E-05 2536 0.118E-02 6636 T= 6792. E= 0.68530402E+03 F= 0.62911716E+03 E0= 0.65853144E+03 EK= 0.56187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350880715212E+03 -0.18020E+00 -0.20012E-01 8772 0.242E+01 0.359E-01 RMM: 2 -0.350893322293E+03 -0.12607E-01 -0.98868E-02 5392 0.668E-01 0.949E-01 RMM: 3 -0.350886809474E+03 0.65128E-02 -0.84168E-03 5449 0.198E-01 0.272E-01 RMM: 4 -0.350887724590E+03 -0.91512E-03 -0.18652E-03 4772 0.104E-01 0.471E-01 RMM: 5 -0.350886325900E+03 0.13987E-02 -0.71593E-04 4571 0.692E-02 0.149E-01 RMM: 6 -0.350886214735E+03 0.11117E-03 -0.16971E-04 3880 0.331E-02 0.840E-02 RMM: 7 -0.350886254947E+03 -0.40212E-04 -0.80944E-05 3639 0.247E-02 0.116E-01 RMM: 8 -0.350886171190E+03 0.83757E-04 -0.48364E-05 3217 0.208E-02 0.322E-02 RMM: 9 -0.350886182784E+03 -0.11594E-04 -0.19621E-05 2548 0.125E-02 6637 T= 6915. E= 0.68645849E+03 F= 0.62925496E+03 E0= 0.65866674E+03 EK= 0.57204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351014705646E+03 -0.12853E+00 -0.20731E-01 8760 0.241E+01 0.352E-01 RMM: 2 -0.351028360334E+03 -0.13655E-01 -0.11024E-01 5270 0.714E-01 0.927E-01 RMM: 3 -0.351022193086E+03 0.61672E-02 -0.10573E-02 5461 0.211E-01 0.272E-01 RMM: 4 -0.351022827477E+03 -0.63439E-03 -0.20889E-03 4901 0.110E-01 0.426E-01 RMM: 5 -0.351021685655E+03 0.11418E-02 -0.76081E-04 4609 0.717E-02 0.153E-01 RMM: 6 -0.351021567923E+03 0.11773E-03 -0.17435E-04 3886 0.338E-02 0.878E-02 RMM: 7 -0.351021602883E+03 -0.34960E-04 -0.94296E-05 3741 0.264E-02 0.116E-01 RMM: 8 -0.351021518530E+03 0.84353E-04 -0.49163E-05 3253 0.211E-02 0.332E-02 RMM: 9 -0.351021525039E+03 -0.65086E-05 -0.16196E-05 2520 0.113E-02 6638 T= 6841. E= 0.68603280E+03 F= 0.62944115E+03 E0= 0.65884929E+03 EK= 0.56592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351096008243E+03 -0.74490E-01 -0.20731E-01 8916 0.238E+01 0.340E-01 RMM: 2 -0.351110875081E+03 -0.14867E-01 -0.11680E-01 5297 0.722E-01 0.967E-01 RMM: 3 -0.351103883540E+03 0.69915E-02 -0.93811E-03 5498 0.204E-01 0.252E-01 RMM: 4 -0.351104645170E+03 -0.76163E-03 -0.18610E-03 4849 0.104E-01 0.442E-01 RMM: 5 -0.351103423445E+03 0.12217E-02 -0.73767E-04 4590 0.707E-02 0.150E-01 RMM: 6 -0.351103338106E+03 0.85339E-04 -0.21246E-04 3888 0.369E-02 0.104E-01 RMM: 7 -0.351103340125E+03 -0.20187E-05 -0.80115E-05 3633 0.261E-02 6639 T= 6601. E= 0.68428804E+03 F= 0.62968308E+03 E0= 0.65908671E+03 EK= 0.54605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351158836171E+03 -0.55498E-01 -0.20868E-01 8748 0.232E+01 0.339E-01 RMM: 2 -0.351171969745E+03 -0.13134E-01 -0.12613E-01 5221 0.760E-01 0.713E-01 RMM: 3 -0.351167873291E+03 0.40965E-02 -0.10490E-02 5624 0.208E-01 0.283E-01 RMM: 4 -0.351168484902E+03 -0.61161E-03 -0.17186E-03 4883 0.102E-01 0.444E-01 RMM: 5 -0.351167199665E+03 0.12852E-02 -0.86791E-04 4610 0.778E-02 0.123E-01 RMM: 6 -0.351167258188E+03 -0.58523E-04 -0.26669E-04 3892 0.414E-02 0.158E-01 RMM: 7 -0.351167165852E+03 0.92336E-04 -0.11657E-04 3867 0.322E-02 0.106E-01 RMM: 8 -0.351167099345E+03 0.66507E-04 -0.42878E-05 3185 0.192E-02 0.377E-02 RMM: 9 -0.351167116067E+03 -0.16722E-04 -0.21652E-05 2578 0.133E-02 6640 T= 6295. E= 0.68202339E+03 F= 0.62994802E+03 E0= 0.65934573E+03 EK= 0.52075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351259265738E+03 -0.92166E-01 -0.20197E-01 8916 0.227E+01 0.303E-01 RMM: 2 -0.351273574915E+03 -0.14309E-01 -0.11739E-01 5238 0.728E-01 0.873E-01 RMM: 3 -0.351267641914E+03 0.59330E-02 -0.93559E-03 5630 0.197E-01 0.212E-01 RMM: 4 -0.351268248993E+03 -0.60708E-03 -0.15411E-03 4778 0.971E-02 0.402E-01 RMM: 5 -0.351267226027E+03 0.10230E-02 -0.70479E-04 4604 0.710E-02 0.123E-01 RMM: 6 -0.351267215154E+03 0.10873E-04 -0.23979E-04 3885 0.397E-02 0.119E-01 RMM: 7 -0.351267166921E+03 0.48233E-04 -0.78935E-05 3618 0.276E-02 0.852E-02 RMM: 8 -0.351267122014E+03 0.44907E-04 -0.21919E-05 2680 0.145E-02 0.270E-02 RMM: 9 -0.351267126850E+03 -0.48356E-05 -0.10881E-05 2466 0.937E-03 6641 T= 6038. E= 0.68012883E+03 F= 0.63018215E+03 E0= 0.65957399E+03 EK= 0.49947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351451666518E+03 -0.18454E+00 -0.18857E-01 8904 0.224E+01 0.324E-01 RMM: 2 -0.351463112306E+03 -0.11446E-01 -0.11216E-01 5299 0.714E-01 0.675E-01 RMM: 3 -0.351459453326E+03 0.36590E-02 -0.90557E-03 5791 0.189E-01 0.250E-01 RMM: 4 -0.351459910553E+03 -0.45723E-03 -0.16399E-03 4796 0.101E-01 0.400E-01 RMM: 5 -0.351458900262E+03 0.10103E-02 -0.78411E-04 4602 0.735E-02 0.142E-01 RMM: 6 -0.351458870578E+03 0.29685E-04 -0.22330E-04 3901 0.385E-02 0.129E-01 RMM: 7 -0.351458850145E+03 0.20432E-04 -0.10796E-04 3856 0.300E-02 0.120E-01 RMM: 8 -0.351458759680E+03 0.90465E-04 -0.49605E-05 3298 0.209E-02 0.344E-02 RMM: 9 -0.351458766635E+03 -0.69555E-05 -0.17764E-05 2534 0.121E-02 6642 T= 5912. E= 0.67923807E+03 F= 0.63032797E+03 E0= 0.65971339E+03 EK= 0.48910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351775233716E+03 -0.31647E+00 -0.18411E-01 8988 0.224E+01 0.329E-01 RMM: 2 -0.351788700610E+03 -0.13467E-01 -0.10782E-01 5238 0.706E-01 0.909E-01 RMM: 3 -0.351782585023E+03 0.61156E-02 -0.90141E-03 5672 0.192E-01 0.227E-01 RMM: 4 -0.351783292369E+03 -0.70735E-03 -0.17778E-03 4803 0.105E-01 0.431E-01 RMM: 5 -0.351782117324E+03 0.11750E-02 -0.77388E-04 4595 0.733E-02 0.124E-01 RMM: 6 -0.351782121496E+03 -0.41712E-05 -0.20742E-04 3880 0.365E-02 0.129E-01 RMM: 7 -0.351782096619E+03 0.24877E-04 -0.85808E-05 3711 0.270E-02 0.113E-01 RMM: 8 -0.351782015522E+03 0.81097E-04 -0.41654E-05 3172 0.192E-02 0.316E-02 RMM: 9 -0.351782022665E+03 -0.71432E-05 -0.17059E-05 2514 0.119E-02 6643 T= 5957. E= 0.67962314E+03 F= 0.63034164E+03 E0= 0.65972087E+03 EK= 0.49282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352251883281E+03 -0.46987E+00 -0.18582E-01 8832 0.227E+01 0.323E-01 RMM: 2 -0.352263571316E+03 -0.11688E-01 -0.11188E-01 5150 0.729E-01 0.694E-01 RMM: 3 -0.352259787766E+03 0.37836E-02 -0.95795E-03 5572 0.202E-01 0.272E-01 RMM: 4 -0.352260317455E+03 -0.52969E-03 -0.17301E-03 4904 0.103E-01 0.410E-01 RMM: 5 -0.352259219633E+03 0.10978E-02 -0.70467E-04 4593 0.686E-02 0.129E-01 RMM: 6 -0.352259171112E+03 0.48521E-04 -0.17368E-04 3895 0.338E-02 0.103E-01 RMM: 7 -0.352259187875E+03 -0.16763E-04 -0.86565E-05 3682 0.258E-02 6644 T= 6164. E= 0.68119005E+03 F= 0.63019670E+03 E0= 0.65956992E+03 EK= 0.50993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352887864800E+03 -0.62869E+00 -0.18479E-01 8664 0.233E+01 0.365E-01 RMM: 2 -0.352900159924E+03 -0.12295E-01 -0.10803E-01 5259 0.730E-01 0.859E-01 RMM: 3 -0.352895109468E+03 0.50505E-02 -0.95254E-03 5637 0.206E-01 0.297E-01 RMM: 4 -0.352895743798E+03 -0.63433E-03 -0.18578E-03 4804 0.104E-01 0.455E-01 RMM: 5 -0.352894388449E+03 0.13553E-02 -0.79814E-04 4594 0.736E-02 0.116E-01 RMM: 6 -0.352894401256E+03 -0.12807E-04 -0.20075E-04 3884 0.358E-02 0.130E-01 RMM: 7 -0.352894357310E+03 0.43946E-04 -0.86650E-05 3707 0.262E-02 0.103E-01 RMM: 8 -0.352894293783E+03 0.63527E-04 -0.36950E-05 3082 0.181E-02 0.332E-02 RMM: 9 -0.352894306646E+03 -0.12862E-04 -0.18770E-05 2536 0.123E-02 6645 T= 6476. E= 0.68346431E+03 F= 0.62988625E+03 E0= 0.65925522E+03 EK= 0.53578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353663564785E+03 -0.76927E+00 -0.18608E-01 8676 0.239E+01 0.329E-01 RMM: 2 -0.353675880776E+03 -0.12316E-01 -0.11040E-01 5200 0.739E-01 0.796E-01 RMM: 3 -0.353671333887E+03 0.45469E-02 -0.97261E-03 5551 0.206E-01 0.261E-01 RMM: 4 -0.353671977068E+03 -0.64318E-03 -0.16665E-03 4799 0.979E-02 0.422E-01 RMM: 5 -0.353670842181E+03 0.11349E-02 -0.65313E-04 4587 0.663E-02 0.131E-01 RMM: 6 -0.353670741933E+03 0.10025E-03 -0.14078E-04 3888 0.305E-02 0.622E-02 RMM: 7 -0.353670777755E+03 -0.35822E-04 -0.55344E-05 3348 0.202E-02 0.100E-01 RMM: 8 -0.353670714692E+03 0.63063E-04 -0.33896E-05 2975 0.187E-02 0.285E-02 RMM: 9 -0.353670716443E+03 -0.17509E-05 -0.11479E-05 2482 0.949E-03 6646 T= 6791. E= 0.68560350E+03 F= 0.62942651E+03 E0= 0.65879213E+03 EK= 0.56177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354544904034E+03 -0.87419E+00 -0.19217E-01 8448 0.244E+01 0.359E-01 RMM: 2 -0.354557815983E+03 -0.12912E-01 -0.11786E-01 5149 0.783E-01 0.825E-01 RMM: 3 -0.354553290538E+03 0.45254E-02 -0.11133E-02 5660 0.216E-01 0.295E-01 RMM: 4 -0.354553896103E+03 -0.60557E-03 -0.19054E-03 4911 0.106E-01 0.450E-01 RMM: 5 -0.354552612381E+03 0.12837E-02 -0.76434E-04 4599 0.716E-02 0.147E-01 RMM: 6 -0.354552508781E+03 0.10360E-03 -0.18413E-04 3889 0.351E-02 0.878E-02 RMM: 7 -0.354552563444E+03 -0.54664E-04 -0.88741E-05 3695 0.253E-02 0.130E-01 RMM: 8 -0.354552457823E+03 0.10562E-03 -0.50793E-05 3295 0.213E-02 0.380E-02 RMM: 9 -0.354552457162E+03 0.66083E-06 -0.18944E-05 2543 0.124E-02 6647 T= 6981. E= 0.68661110E+03 F= 0.62885562E+03 E0= 0.65821941E+03 EK= 0.57755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355484442902E+03 -0.93199E+00 -0.19315E-01 8112 0.245E+01 0.348E-01 RMM: 2 -0.355498559573E+03 -0.14117E-01 -0.11916E-01 5129 0.777E-01 0.896E-01 RMM: 3 -0.355492854004E+03 0.57056E-02 -0.11204E-02 5519 0.223E-01 0.279E-01 RMM: 4 -0.355493609991E+03 -0.75599E-03 -0.19188E-03 4953 0.106E-01 0.447E-01 RMM: 5 -0.355492328271E+03 0.12817E-02 -0.67816E-04 4582 0.668E-02 0.142E-01 RMM: 6 -0.355492226127E+03 0.10214E-03 -0.14778E-04 3874 0.308E-02 0.807E-02 RMM: 7 -0.355492265585E+03 -0.39458E-04 -0.79540E-05 3609 0.238E-02 0.113E-01 RMM: 8 -0.355492185032E+03 0.80553E-04 -0.44770E-05 3207 0.205E-02 0.294E-02 RMM: 9 -0.355492192210E+03 -0.71781E-05 -0.14602E-05 2506 0.108E-02 6648 T= 6962. E= 0.68581911E+03 F= 0.62822503E+03 E0= 0.65758833E+03 EK= 0.57594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356437142797E+03 -0.94496E+00 -0.18627E-01 8160 0.243E+01 0.340E-01 RMM: 2 -0.356449222449E+03 -0.12080E-01 -0.10449E-01 5156 0.730E-01 0.834E-01 RMM: 3 -0.356444184641E+03 0.50378E-02 -0.93182E-03 5615 0.202E-01 0.238E-01 RMM: 4 -0.356444949905E+03 -0.76526E-03 -0.17554E-03 4889 0.103E-01 0.436E-01 RMM: 5 -0.356443743142E+03 0.12068E-02 -0.71343E-04 4606 0.703E-02 0.140E-01 RMM: 6 -0.356443654886E+03 0.88256E-04 -0.16273E-04 3884 0.327E-02 0.879E-02 RMM: 7 -0.356443699427E+03 -0.44541E-04 -0.74598E-05 3555 0.239E-02 0.123E-01 RMM: 8 -0.356443603588E+03 0.95838E-04 -0.44006E-05 3199 0.203E-02 0.288E-02 RMM: 9 -0.356443610513E+03 -0.69248E-05 -0.15710E-05 2507 0.111E-02 6649 T= 6737. E= 0.68332199E+03 F= 0.62758572E+03 E0= 0.65694863E+03 EK= 0.55736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357364134935E+03 -0.92053E+00 -0.18113E-01 8196 0.238E+01 0.327E-01 RMM: 2 -0.357376100517E+03 -0.11966E-01 -0.97757E-02 5149 0.690E-01 0.854E-01 RMM: 3 -0.357370611178E+03 0.54893E-02 -0.83040E-03 5441 0.197E-01 0.241E-01 RMM: 4 -0.357371486737E+03 -0.87556E-03 -0.17843E-03 4940 0.104E-01 0.450E-01 RMM: 5 -0.357370211892E+03 0.12748E-02 -0.72143E-04 4582 0.708E-02 0.133E-01 RMM: 6 -0.357370147663E+03 0.64228E-04 -0.16994E-04 3883 0.332E-02 0.969E-02 RMM: 7 -0.357370148672E+03 -0.10089E-05 -0.71894E-05 3568 0.247E-02 6650 T= 6401. E= 0.67993289E+03 F= 0.62697794E+03 E0= 0.65634007E+03 EK= 0.52955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358247638002E+03 -0.87749E+00 -0.17453E-01 8172 0.232E+01 0.349E-01 RMM: 2 -0.358257224292E+03 -0.95863E-02 -0.90341E-02 5195 0.672E-01 0.714E-01 RMM: 3 -0.358253396254E+03 0.38280E-02 -0.79172E-03 5532 0.190E-01 0.264E-01 RMM: 4 -0.358254246262E+03 -0.85001E-03 -0.17364E-03 4846 0.103E-01 0.466E-01 RMM: 5 -0.358252828489E+03 0.14178E-02 -0.85918E-04 4601 0.780E-02 0.122E-01 RMM: 6 -0.358252865318E+03 -0.36829E-04 -0.21655E-04 3885 0.376E-02 0.146E-01 RMM: 7 -0.358252794223E+03 0.71095E-04 -0.10181E-04 3812 0.304E-02 0.105E-01 RMM: 8 -0.358252728194E+03 0.66029E-04 -0.42081E-05 3182 0.192E-02 0.357E-02 RMM: 9 -0.358252745914E+03 -0.17719E-04 -0.21118E-05 2568 0.131E-02 6651 T= 6078. E= 0.67670096E+03 F= 0.62642212E+03 E0= 0.65578241E+03 EK= 0.50279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359078146398E+03 -0.82542E+00 -0.16497E-01 8316 0.227E+01 0.308E-01 RMM: 2 -0.359090195973E+03 -0.12050E-01 -0.84585E-02 5212 0.639E-01 0.952E-01 RMM: 3 -0.359083413139E+03 0.67828E-02 -0.73406E-03 5456 0.188E-01 0.208E-01 RMM: 4 -0.359084231836E+03 -0.81870E-03 -0.14988E-03 4735 0.949E-02 0.425E-01 RMM: 5 -0.359083098210E+03 0.11336E-02 -0.63339E-04 4583 0.675E-02 0.124E-01 RMM: 6 -0.359083048191E+03 0.50019E-04 -0.18420E-04 3885 0.349E-02 0.938E-02 RMM: 7 -0.359083051865E+03 -0.36736E-05 -0.64183E-05 3485 0.240E-02 6652 T= 5866. E= 0.67445570E+03 F= 0.62592511E+03 E0= 0.65528166E+03 EK= 0.48531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359847871319E+03 -0.76482E+00 -0.15711E-01 8208 0.224E+01 0.358E-01 RMM: 2 -0.359856153762E+03 -0.82824E-02 -0.81474E-02 5251 0.631E-01 0.695E-01 RMM: 3 -0.359852707705E+03 0.34461E-02 -0.71829E-03 5558 0.181E-01 0.283E-01 RMM: 4 -0.359853650314E+03 -0.94261E-03 -0.17124E-03 4785 0.103E-01 0.495E-01 RMM: 5 -0.359852024369E+03 0.16259E-02 -0.89417E-04 4602 0.791E-02 0.102E-01 RMM: 6 -0.359852133189E+03 -0.10882E-03 -0.21922E-04 3891 0.373E-02 0.167E-01 RMM: 7 -0.359851993257E+03 0.13993E-03 -0.10071E-04 3825 0.304E-02 0.888E-02 RMM: 8 -0.359851948503E+03 0.44753E-04 -0.38509E-05 3118 0.181E-02 0.355E-02 RMM: 9 -0.359851970506E+03 -0.22002E-04 -0.20040E-05 2548 0.129E-02 0.614E-02 RMM: 10 -0.359851951694E+03 0.18811E-04 -0.13369E-05 2494 0.120E-02 6653 T= 5820. E= 0.67364077E+03 F= 0.62549202E+03 E0= 0.65484397E+03 EK= 0.48149E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360539118779E+03 -0.68715E+00 -0.15590E-01 8148 0.224E+01 0.289E-01 RMM: 2 -0.360547644416E+03 -0.85256E-02 -0.81619E-02 5096 0.631E-01 0.643E-01 RMM: 3 -0.360544546156E+03 0.30983E-02 -0.74636E-03 5701 0.177E-01 0.214E-01 RMM: 4 -0.360545202733E+03 -0.65658E-03 -0.11878E-03 4636 0.853E-02 0.405E-01 RMM: 5 -0.360544164632E+03 0.10381E-02 -0.53466E-04 4538 0.612E-02 0.115E-01 RMM: 6 -0.360544117146E+03 0.47485E-04 -0.15391E-04 3875 0.318E-02 0.841E-02 RMM: 7 -0.360544092982E+03 0.24164E-04 -0.47309E-05 3246 0.217E-02 0.606E-02 RMM: 8 -0.360544071776E+03 0.21205E-04 -0.15272E-05 2537 0.123E-02 0.219E-02 RMM: 9 -0.360544077901E+03 -0.61250E-05 -0.83693E-06 2453 0.813E-03 6654 T= 5947. E= 0.67433370E+03 F= 0.62513310E+03 E0= 0.65447932E+03 EK= 0.49201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361132482480E+03 -0.58841E+00 -0.15911E-01 8232 0.227E+01 0.328E-01 RMM: 2 -0.361140518556E+03 -0.80361E-02 -0.77659E-02 5269 0.610E-01 0.667E-01 RMM: 3 -0.361137273739E+03 0.32448E-02 -0.66145E-03 5576 0.170E-01 0.264E-01 RMM: 4 -0.361138090181E+03 -0.81644E-03 -0.13965E-03 4652 0.918E-02 0.458E-01 RMM: 5 -0.361136694394E+03 0.13958E-02 -0.68842E-04 4574 0.685E-02 0.929E-02 RMM: 6 -0.361136723775E+03 -0.29381E-04 -0.16316E-04 3884 0.322E-02 0.119E-01 RMM: 7 -0.361136685790E+03 0.37985E-04 -0.63553E-05 3469 0.233E-02 0.955E-02 RMM: 8 -0.361136628207E+03 0.57583E-04 -0.32344E-05 2955 0.173E-02 0.257E-02 RMM: 9 -0.361136640654E+03 -0.12447E-04 -0.14953E-05 2499 0.109E-02 6655 T= 6213. E= 0.67626744E+03 F= 0.62486656E+03 E0= 0.65420640E+03 EK= 0.51401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361594112828E+03 -0.45748E+00 -0.16921E-01 8028 0.231E+01 0.311E-01 RMM: 2 -0.361602999472E+03 -0.88866E-02 -0.85058E-02 5163 0.644E-01 0.666E-01 RMM: 3 -0.361599745860E+03 0.32536E-02 -0.77553E-03 5653 0.180E-01 0.231E-01 RMM: 4 -0.361600358610E+03 -0.61275E-03 -0.12977E-03 4674 0.882E-02 0.408E-01 RMM: 5 -0.361599273027E+03 0.10856E-02 -0.59284E-04 4547 0.633E-02 0.101E-01 RMM: 6 -0.361599269576E+03 0.34511E-05 -0.13375E-04 3875 0.292E-02 6656 T= 6539. E= 0.67881512E+03 F= 0.62472022E+03 E0= 0.65405307E+03 EK= 0.54095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361896360390E+03 -0.29709E+00 -0.18069E-01 8244 0.235E+01 0.444E-01 RMM: 2 -0.361927673295E+03 -0.31313E-01 -0.10032E-01 5092 0.728E-01 0.193E+00 RMM: 3 -0.361902321762E+03 0.25352E-01 -0.15626E-02 5348 0.299E-01 0.347E-01 RMM: 4 -0.361902269001E+03 0.52761E-04 -0.24743E-03 5053 0.109E-01 0.355E-01 RMM: 5 -0.361901813293E+03 0.45571E-03 -0.72876E-04 4593 0.685E-02 0.261E-01 RMM: 6 -0.361901380782E+03 0.43251E-03 -0.29842E-04 3918 0.448E-02 0.825E-02 RMM: 7 -0.361901471365E+03 -0.90583E-04 -0.15339E-04 3890 0.327E-02 0.143E-01 RMM: 8 -0.361901349374E+03 0.12199E-03 -0.72775E-05 3539 0.252E-02 0.470E-02 RMM: 9 -0.361901342741E+03 0.66327E-05 -0.17181E-05 2547 0.121E-02 6657 T= 6810. E= 0.68106132E+03 F= 0.62472484E+03 E0= 0.65405391E+03 EK= 0.56336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362019931630E+03 -0.11858E+00 -0.18090E-01 8136 0.237E+01 0.383E-01 RMM: 2 -0.362047053604E+03 -0.27122E-01 -0.95051E-02 4990 0.692E-01 0.175E+00 RMM: 3 -0.362026060390E+03 0.20993E-01 -0.13536E-02 5346 0.280E-01 0.344E-01 RMM: 4 -0.362025814967E+03 0.24542E-03 -0.23118E-03 5112 0.109E-01 0.300E-01 RMM: 5 -0.362025550948E+03 0.26402E-03 -0.52215E-04 4571 0.582E-02 0.243E-01 RMM: 6 -0.362025160594E+03 0.39035E-03 -0.22137E-04 3896 0.397E-02 0.549E-02 RMM: 7 -0.362025215002E+03 -0.54408E-04 -0.86159E-05 3622 0.242E-02 0.108E-01 RMM: 8 -0.362025142501E+03 0.72501E-04 -0.43801E-05 3171 0.206E-02 0.331E-02 RMM: 9 -0.362025137789E+03 0.47116E-05 -0.91113E-06 2466 0.865E-03 6658 T= 6916. E= 0.68211619E+03 F= 0.62490070E+03 E0= 0.65422678E+03 EK= 0.57215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361968275579E+03 0.56867E-01 -0.18702E-01 8184 0.236E+01 0.346E-01 RMM: 2 -0.361985753890E+03 -0.17478E-01 -0.98343E-02 5000 0.706E-01 0.125E+00 RMM: 3 -0.361974870052E+03 0.10884E-01 -0.10521E-02 5406 0.230E-01 0.267E-01 RMM: 4 -0.361975206873E+03 -0.33682E-03 -0.18894E-03 4947 0.101E-01 0.368E-01 RMM: 5 -0.361974456156E+03 0.75072E-03 -0.64700E-04 4597 0.674E-02 0.178E-01 RMM: 6 -0.361974273912E+03 0.18224E-03 -0.18999E-04 3882 0.356E-02 0.798E-02 RMM: 7 -0.361974334274E+03 -0.60362E-04 -0.11370E-04 3862 0.289E-02 0.126E-01 RMM: 8 -0.361974234351E+03 0.99923E-04 -0.56155E-05 3368 0.225E-02 0.325E-02 RMM: 9 -0.361974236294E+03 -0.19435E-05 -0.12322E-05 2498 0.100E-02 6659 T= 6811. E= 0.68159492E+03 F= 0.62524807E+03 E0= 0.65457355E+03 EK= 0.56347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361772161517E+03 0.20207E+00 -0.18138E-01 8232 0.232E+01 0.318E-01 RMM: 2 -0.361786690046E+03 -0.14529E-01 -0.95439E-02 5061 0.689E-01 0.108E+00 RMM: 3 -0.361778541237E+03 0.81488E-02 -0.93799E-03 5455 0.214E-01 0.226E-01 RMM: 4 -0.361779045210E+03 -0.50397E-03 -0.15476E-03 4831 0.933E-02 0.373E-01 RMM: 5 -0.361778212984E+03 0.83223E-03 -0.57230E-04 4584 0.627E-02 0.153E-01 RMM: 6 -0.361778113475E+03 0.99509E-04 -0.20128E-04 3890 0.370E-02 0.944E-02 RMM: 7 -0.361778153797E+03 -0.40323E-04 -0.82781E-05 3654 0.261E-02 0.121E-01 RMM: 8 -0.361778059099E+03 0.94698E-04 -0.41453E-05 3151 0.197E-02 0.264E-02 RMM: 9 -0.361778066926E+03 -0.78266E-05 -0.13081E-05 2492 0.101E-02 6660 T= 6542. E= 0.67986351E+03 F= 0.62574119E+03 E0= 0.65506761E+03 EK= 0.54122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361478756704E+03 0.29930E+00 -0.17941E-01 8256 0.227E+01 0.300E-01 RMM: 2 -0.361492573025E+03 -0.13816E-01 -0.10787E-01 5121 0.725E-01 0.902E-01 RMM: 3 -0.361486506576E+03 0.60664E-02 -0.98619E-03 5553 0.202E-01 0.220E-01 RMM: 4 -0.361486866715E+03 -0.36014E-03 -0.15250E-03 4842 0.952E-02 0.358E-01 RMM: 5 -0.361486120884E+03 0.74583E-03 -0.64014E-04 4593 0.688E-02 0.151E-01 RMM: 6 -0.361486021282E+03 0.99603E-04 -0.17578E-04 3880 0.339E-02 0.952E-02 RMM: 7 -0.361486041665E+03 -0.20383E-04 -0.92675E-05 3770 0.276E-02 0.111E-01 RMM: 8 -0.361485964297E+03 0.77368E-04 -0.40056E-05 3161 0.194E-02 0.298E-02 RMM: 9 -0.361485970533E+03 -0.62362E-05 -0.12194E-05 2494 0.981E-03 6661 T= 6221. E= 0.67779660E+03 F= 0.62633284E+03 E0= 0.65566210E+03 EK= 0.51464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361147091917E+03 0.33887E+00 -0.16665E-01 8520 0.222E+01 0.308E-01 RMM: 2 -0.361159287162E+03 -0.12195E-01 -0.94139E-02 5255 0.675E-01 0.915E-01 RMM: 3 -0.361153457008E+03 0.58302E-02 -0.83703E-03 5566 0.192E-01 0.211E-01 RMM: 4 -0.361153942586E+03 -0.48558E-03 -0.13659E-03 4700 0.896E-02 0.373E-01 RMM: 5 -0.361153082702E+03 0.85988E-03 -0.61085E-04 4576 0.661E-02 0.131E-01 RMM: 6 -0.361153056960E+03 0.25742E-04 -0.19337E-04 3883 0.358E-02 0.118E-01 RMM: 7 -0.361153041177E+03 0.15783E-04 -0.83887E-05 3700 0.271E-02 6662 T= 5963. E= 0.67629744E+03 F= 0.62696770E+03 E0= 0.65630057E+03 EK= 0.49330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360822344262E+03 0.33071E+00 -0.16353E-01 8760 0.219E+01 0.329E-01 RMM: 2 -0.360833720664E+03 -0.11376E-01 -0.88367E-02 5442 0.637E-01 0.897E-01 RMM: 3 -0.360827904490E+03 0.58162E-02 -0.67701E-03 5561 0.174E-01 0.239E-01 RMM: 4 -0.360828546526E+03 -0.64204E-03 -0.16147E-03 4681 0.986E-02 0.418E-01 RMM: 5 -0.360827444201E+03 0.11023E-02 -0.75659E-04 4596 0.734E-02 0.128E-01 RMM: 6 -0.360827473818E+03 -0.29616E-04 -0.20034E-04 3886 0.356E-02 0.147E-01 RMM: 7 -0.360827408854E+03 0.64964E-04 -0.10147E-04 3861 0.297E-02 0.109E-01 RMM: 8 -0.360827336091E+03 0.72762E-04 -0.43277E-05 3197 0.194E-02 0.319E-02 RMM: 9 -0.360827357987E+03 -0.21896E-04 -0.20226E-05 2562 0.126E-02 0.594E-02 RMM: 10 -0.360827342355E+03 0.15632E-04 -0.14391E-05 2491 0.125E-02 6663 T= 5849. E= 0.67597970E+03 F= 0.62759512E+03 E0= 0.65693232E+03 EK= 0.48385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360537160738E+03 0.29020E+00 -0.16531E-01 8832 0.220E+01 0.272E-01 RMM: 2 -0.360547572169E+03 -0.10411E-01 -0.90368E-02 5340 0.650E-01 0.760E-01 RMM: 3 -0.360543345725E+03 0.42264E-02 -0.73016E-03 5751 0.175E-01 0.193E-01 RMM: 4 -0.360543686432E+03 -0.34071E-03 -0.10774E-03 4636 0.787E-02 0.331E-01 RMM: 5 -0.360543031053E+03 0.65538E-03 -0.44830E-04 4447 0.563E-02 0.129E-01 RMM: 6 -0.360542953895E+03 0.77158E-04 -0.14995E-04 3880 0.321E-02 0.758E-02 RMM: 7 -0.360542953940E+03 -0.45271E-07 -0.46245E-05 3215 0.204E-02 6664 T= 5913. E= 0.67709073E+03 F= 0.62817706E+03 E0= 0.65752064E+03 EK= 0.48914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360310847735E+03 0.23211E+00 -0.17190E-01 9000 0.223E+01 0.337E-01 RMM: 2 -0.360321510826E+03 -0.10663E-01 -0.89516E-02 5543 0.626E-01 0.848E-01 RMM: 3 -0.360316205786E+03 0.53050E-02 -0.63972E-03 5647 0.170E-01 0.249E-01 RMM: 4 -0.360316913875E+03 -0.70809E-03 -0.16047E-03 4635 0.971E-02 0.432E-01 RMM: 5 -0.360315684654E+03 0.12292E-02 -0.69227E-04 4574 0.676E-02 0.105E-01 RMM: 6 -0.360315722220E+03 -0.37566E-04 -0.17886E-04 3888 0.337E-02 0.134E-01 RMM: 7 -0.360315680956E+03 0.41265E-04 -0.83643E-05 3697 0.255E-02 0.111E-01 RMM: 8 -0.360315605054E+03 0.75901E-04 -0.40301E-05 3124 0.187E-02 0.296E-02 RMM: 9 -0.360315618563E+03 -0.13509E-04 -0.17774E-05 2529 0.120E-02 6665 T= 6143. E= 0.67951587E+03 F= 0.62869387E+03 E0= 0.65804490E+03 EK= 0.50822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360134614410E+03 0.18099E+00 -0.19175E-01 9096 0.229E+01 0.282E-01 RMM: 2 -0.360145835116E+03 -0.11221E-01 -0.10599E-01 5345 0.686E-01 0.679E-01 RMM: 3 -0.360141989785E+03 0.38453E-02 -0.78343E-03 5645 0.181E-01 0.219E-01 RMM: 4 -0.360142414573E+03 -0.42479E-03 -0.12086E-03 4662 0.818E-02 0.358E-01 RMM: 5 -0.360141609956E+03 0.80462E-03 -0.47586E-04 4322 0.562E-02 0.114E-01 RMM: 6 -0.360141546172E+03 0.63784E-04 -0.11457E-04 3829 0.281E-02 0.655E-02 RMM: 7 -0.360141560711E+03 -0.14539E-04 -0.45123E-05 3150 0.193E-02 6666 T= 6479. E= 0.68274910E+03 F= 0.62914687E+03 E0= 0.65850762E+03 EK= 0.53602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359991684319E+03 0.14986E+00 -0.20591E-01 9084 0.235E+01 0.324E-01 RMM: 2 -0.360003788041E+03 -0.12104E-01 -0.11455E-01 5430 0.711E-01 0.741E-01 RMM: 3 -0.359999389015E+03 0.43990E-02 -0.83644E-03 5846 0.187E-01 0.240E-01 RMM: 4 -0.360000035926E+03 -0.64691E-03 -0.13293E-03 4649 0.856E-02 0.423E-01 RMM: 5 -0.359998849255E+03 0.11867E-02 -0.58097E-04 4539 0.616E-02 0.901E-02 RMM: 6 -0.359998885206E+03 -0.35951E-04 -0.13427E-04 3878 0.292E-02 0.122E-01 RMM: 7 -0.359998848761E+03 0.36446E-04 -0.78924E-05 3666 0.234E-02 0.102E-01 RMM: 8 -0.359998785044E+03 0.63716E-04 -0.41144E-05 3124 0.189E-02 0.288E-02 RMM: 9 -0.359998796058E+03 -0.11014E-04 -0.15285E-05 2513 0.111E-02 6667 T= 6809. E= 0.68589031E+03 F= 0.62955795E+03 E0= 0.65893298E+03 EK= 0.56332E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359845297061E+03 0.15349E+00 -0.22005E-01 9000 0.241E+01 0.297E-01 RMM: 2 -0.359859101708E+03 -0.13805E-01 -0.13111E-01 5437 0.746E-01 0.718E-01 RMM: 3 -0.359854389759E+03 0.47119E-02 -0.88060E-03 5764 0.191E-01 0.217E-01 RMM: 4 -0.359854912283E+03 -0.52252E-03 -0.12877E-03 4681 0.833E-02 0.384E-01 RMM: 5 -0.359853998526E+03 0.91376E-03 -0.50187E-04 4459 0.576E-02 0.117E-01 RMM: 6 -0.359853922600E+03 0.75926E-04 -0.10877E-04 3803 0.270E-02 0.573E-02 RMM: 7 -0.359853939617E+03 -0.17017E-04 -0.45483E-05 3153 0.186E-02 6668 T= 7000. E= 0.68787191E+03 F= 0.62996276E+03 E0= 0.65935544E+03 EK= 0.57909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359664481607E+03 0.18944E+00 -0.22674E-01 8964 0.243E+01 0.311E-01 RMM: 2 -0.359678902382E+03 -0.14421E-01 -0.13435E-01 5567 0.743E-01 0.748E-01 RMM: 3 -0.359673675966E+03 0.52264E-02 -0.80559E-03 5753 0.187E-01 0.238E-01 RMM: 4 -0.359674233910E+03 -0.55794E-03 -0.13852E-03 4661 0.878E-02 0.395E-01 RMM: 5 -0.359673197659E+03 0.10363E-02 -0.51880E-04 4401 0.569E-02 0.934E-02 RMM: 6 -0.359673219182E+03 -0.21523E-04 -0.12742E-04 3872 0.290E-02 0.114E-01 RMM: 7 -0.359673210239E+03 0.89431E-05 -0.77267E-05 3656 0.231E-02 6669 T= 6962. E= 0.68799145E+03 F= 0.63039889E+03 E0= 0.65981445E+03 EK= 0.57593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359429962777E+03 0.24326E+00 -0.22712E-01 8904 0.241E+01 0.288E-01 RMM: 2 -0.359445530922E+03 -0.15568E-01 -0.13891E-01 5698 0.733E-01 0.771E-01 RMM: 3 -0.359439521870E+03 0.60091E-02 -0.70666E-03 5397 0.183E-01 0.226E-01 RMM: 4 -0.359440041021E+03 -0.51915E-03 -0.14682E-03 4695 0.902E-02 0.369E-01 RMM: 5 -0.359439185572E+03 0.85545E-03 -0.52097E-04 4409 0.582E-02 0.120E-01 RMM: 6 -0.359439134122E+03 0.51450E-04 -0.13863E-04 3870 0.303E-02 0.863E-02 RMM: 7 -0.359439156418E+03 -0.22296E-04 -0.67404E-05 3536 0.226E-02 0.103E-01 RMM: 8 -0.359439090642E+03 0.65776E-04 -0.32672E-05 2962 0.177E-02 0.270E-02 RMM: 9 -0.359439098489E+03 -0.78471E-05 -0.13837E-05 2488 0.102E-02 6670 T= 6708. E= 0.68638011E+03 F= 0.63088790E+03 E0= 0.66033014E+03 EK= 0.55492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359153209206E+03 0.28588E+00 -0.22145E-01 8868 0.237E+01 0.294E-01 RMM: 2 -0.359170783744E+03 -0.17575E-01 -0.13692E-01 5602 0.746E-01 0.981E-01 RMM: 3 -0.359162699756E+03 0.80840E-02 -0.83648E-03 5517 0.198E-01 0.211E-01 RMM: 4 -0.359163017220E+03 -0.31746E-03 -0.13495E-03 4674 0.855E-02 0.322E-01 RMM: 5 -0.359162433136E+03 0.58408E-03 -0.42660E-04 4381 0.531E-02 0.157E-01 RMM: 6 -0.359162300764E+03 0.13237E-03 -0.16947E-04 3876 0.343E-02 0.771E-02 RMM: 7 -0.359162366343E+03 -0.65579E-04 -0.87597E-05 3691 0.253E-02 0.127E-01 RMM: 8 -0.359162262224E+03 0.10412E-03 -0.48239E-05 3247 0.212E-02 0.266E-02 RMM: 9 -0.359162264441E+03 -0.22168E-05 -0.11705E-05 2485 0.948E-03 6671 T= 6346. E= 0.68392170E+03 F= 0.63142212E+03 E0= 0.66089465E+03 EK= 0.52500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358866629608E+03 0.29563E+00 -0.21053E-01 8904 0.231E+01 0.276E-01 RMM: 2 -0.358881611030E+03 -0.14981E-01 -0.12886E-01 5726 0.715E-01 0.796E-01 RMM: 3 -0.358875727472E+03 0.58836E-02 -0.68551E-03 5514 0.177E-01 0.197E-01 RMM: 4 -0.358876092713E+03 -0.36524E-03 -0.12140E-03 4642 0.840E-02 0.326E-01 RMM: 5 -0.358875424576E+03 0.66814E-03 -0.47892E-04 4473 0.572E-02 0.121E-01 RMM: 6 -0.358875416964E+03 0.76122E-05 -0.16595E-04 3878 0.328E-02 6672 T= 6013. E= 0.68171325E+03 F= 0.63196967E+03 E0= 0.66147612E+03 EK= 0.49744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358611983304E+03 0.26344E+00 -0.19782E-01 8868 0.227E+01 0.435E-01 RMM: 2 -0.358650783548E+03 -0.38800E-01 -0.13077E-01 5502 0.764E-01 0.212E+00 RMM: 3 -0.358620482017E+03 0.30302E-01 -0.16649E-02 5348 0.307E-01 0.367E-01 RMM: 4 -0.358619893854E+03 0.58816E-03 -0.22148E-03 4833 0.994E-02 0.252E-01 RMM: 5 -0.358619866303E+03 0.27551E-04 -0.71146E-04 4608 0.681E-02 0.270E-01 RMM: 6 -0.358619440942E+03 0.42536E-03 -0.39852E-04 4103 0.528E-02 0.104E-01 RMM: 7 -0.358619564239E+03 -0.12330E-03 -0.19619E-04 3884 0.377E-02 0.170E-01 RMM: 8 -0.358619398550E+03 0.16569E-03 -0.10295E-04 3799 0.301E-02 0.633E-02 RMM: 9 -0.358619382193E+03 0.16357E-04 -0.23747E-05 2720 0.142E-02 6673 T= 5814. E= 0.68058870E+03 F= 0.63248811E+03 E0= 0.66203205E+03 EK= 0.48101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358422696354E+03 0.19670E+00 -0.19001E-01 8916 0.225E+01 0.395E-01 RMM: 2 -0.358460988755E+03 -0.38292E-01 -0.12352E-01 5496 0.727E-01 0.208E+00 RMM: 3 -0.358430884173E+03 0.30105E-01 -0.14961E-02 5359 0.290E-01 0.384E-01 RMM: 4 -0.358430135143E+03 0.74903E-03 -0.23520E-03 4903 0.106E-01 0.231E-01 RMM: 5 -0.358430157336E+03 -0.22193E-04 -0.51641E-04 4590 0.594E-02 0.248E-01 RMM: 6 -0.358429742097E+03 0.41524E-03 -0.21072E-04 3877 0.382E-02 0.560E-02 RMM: 7 -0.358429795321E+03 -0.53224E-04 -0.95070E-05 3704 0.251E-02 0.109E-01 RMM: 8 -0.358429728630E+03 0.66691E-04 -0.46287E-05 3191 0.212E-02 0.429E-02 RMM: 9 -0.358429718785E+03 0.98451E-05 -0.10758E-05 2480 0.965E-03 6674 T= 5806. E= 0.68096742E+03 F= 0.63293851E+03 E0= 0.66252335E+03 EK= 0.48029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358316573482E+03 0.11316E+00 -0.19031E-01 8784 0.227E+01 0.345E-01 RMM: 2 -0.358340669311E+03 -0.24096E-01 -0.12103E-01 5486 0.715E-01 0.150E+00 RMM: 3 -0.358324747555E+03 0.15922E-01 -0.10538E-02 5360 0.232E-01 0.263E-01 RMM: 4 -0.358324778106E+03 -0.30551E-04 -0.17657E-03 4733 0.942E-02 0.295E-01 RMM: 5 -0.358324347715E+03 0.43039E-03 -0.45816E-04 4470 0.552E-02 0.179E-01 RMM: 6 -0.358324164843E+03 0.18287E-03 -0.16425E-04 3881 0.334E-02 0.808E-02 RMM: 7 -0.358324237845E+03 -0.73002E-04 -0.12381E-04 3890 0.293E-02 0.134E-01 RMM: 8 -0.358324128359E+03 0.10949E-03 -0.59843E-05 3401 0.232E-02 0.409E-02 RMM: 9 -0.358324122455E+03 0.59047E-05 -0.12947E-05 2493 0.101E-02 6675 T= 5993. E= 0.68287831E+03 F= 0.63329917E+03 E0= 0.66292853E+03 EK= 0.49579E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358291186158E+03 0.32942E-01 -0.18781E-01 8976 0.231E+01 0.310E-01 RMM: 2 -0.358308191263E+03 -0.17005E-01 -0.11706E-01 5484 0.703E-01 0.109E+00 RMM: 3 -0.358299084686E+03 0.91066E-02 -0.90953E-03 5491 0.206E-01 0.202E-01 RMM: 4 -0.358299556629E+03 -0.47194E-03 -0.14214E-03 4661 0.866E-02 0.353E-01 RMM: 5 -0.358298823569E+03 0.73306E-03 -0.39287E-04 4092 0.500E-02 0.144E-01 RMM: 6 -0.358298706214E+03 0.11735E-03 -0.13208E-04 3872 0.311E-02 0.636E-02 RMM: 7 -0.358298772176E+03 -0.65962E-04 -0.75594E-05 3611 0.230E-02 0.119E-01 RMM: 8 -0.358298682621E+03 0.89555E-04 -0.43947E-05 3159 0.205E-02 0.294E-02 RMM: 9 -0.358298683528E+03 -0.90725E-06 -0.13342E-05 2489 0.104E-02 6676 T= 6331. E= 0.68594861E+03 F= 0.63357095E+03 E0= 0.66324808E+03 EK= 0.52378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358316312875E+03 -0.17630E-01 -0.19959E-01 8868 0.237E+01 0.302E-01 RMM: 2 -0.358333785781E+03 -0.17473E-01 -0.13376E-01 5266 0.772E-01 0.100E+00 RMM: 3 -0.358326137844E+03 0.76479E-02 -0.10899E-02 5762 0.209E-01 0.208E-01 RMM: 4 -0.358326455040E+03 -0.31720E-03 -0.15082E-03 4747 0.922E-02 0.344E-01 RMM: 5 -0.358325700509E+03 0.75453E-03 -0.47000E-04 4391 0.556E-02 0.105E-01 RMM: 6 -0.358325658740E+03 0.41769E-04 -0.99143E-05 3780 0.258E-02 0.780E-02 RMM: 7 -0.358325693523E+03 -0.34783E-04 -0.79377E-05 3737 0.229E-02 0.110E-01 RMM: 8 -0.358325618049E+03 0.75474E-04 -0.42891E-05 3139 0.199E-02 0.302E-02 RMM: 9 -0.358325619416E+03 -0.13672E-05 -0.12642E-05 2482 0.100E-02 6677 T= 6718. E= 0.68935261E+03 F= 0.63378060E+03 E0= 0.66350775E+03 EK= 0.55572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358353202922E+03 -0.27585E-01 -0.21461E-01 8832 0.243E+01 0.288E-01 RMM: 2 -0.358368855512E+03 -0.15653E-01 -0.13350E-01 5359 0.760E-01 0.834E-01 RMM: 3 -0.358363063399E+03 0.57921E-02 -0.98447E-03 5573 0.206E-01 0.240E-01 RMM: 4 -0.358363460855E+03 -0.39746E-03 -0.13623E-03 4723 0.862E-02 0.359E-01 RMM: 5 -0.358362668320E+03 0.79254E-03 -0.41290E-04 4121 0.506E-02 0.132E-01 RMM: 6 -0.358362571643E+03 0.96677E-04 -0.11514E-04 3829 0.288E-02 0.634E-02 RMM: 7 -0.358362625764E+03 -0.54122E-04 -0.80139E-05 3694 0.231E-02 0.114E-01 RMM: 8 -0.358362542063E+03 0.83702E-04 -0.47460E-05 3200 0.207E-02 0.262E-02 RMM: 9 -0.358362547199E+03 -0.51360E-05 -0.15379E-05 2496 0.112E-02 6678 T= 7005. E= 0.69191915E+03 F= 0.63397182E+03 E0= 0.66375012E+03 EK= 0.57947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358362238041E+03 0.30402E-03 -0.22183E-01 8652 0.245E+01 0.284E-01 RMM: 2 -0.358377937139E+03 -0.15699E-01 -0.13207E-01 5432 0.752E-01 0.862E-01 RMM: 3 -0.358371841469E+03 0.60957E-02 -0.88442E-03 5791 0.193E-01 0.203E-01 RMM: 4 -0.358372197548E+03 -0.35608E-03 -0.12800E-03 4676 0.841E-02 0.339E-01 RMM: 5 -0.358371497544E+03 0.70000E-03 -0.42782E-04 4289 0.527E-02 0.117E-01 RMM: 6 -0.358371437635E+03 0.59909E-04 -0.10302E-04 3789 0.268E-02 0.762E-02 RMM: 7 -0.358371491951E+03 -0.54315E-04 -0.79248E-05 3662 0.229E-02 0.121E-01 RMM: 8 -0.358371400074E+03 0.91877E-04 -0.48152E-05 3236 0.210E-02 0.281E-02 RMM: 9 -0.358371402178E+03 -0.21040E-05 -0.12486E-05 2484 0.991E-03 6679 T= 7064. E= 0.69262127E+03 F= 0.63418588E+03 E0= 0.66401405E+03 EK= 0.58435E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358334569191E+03 0.36831E-01 -0.21801E-01 8580 0.243E+01 0.265E-01 RMM: 2 -0.358349524719E+03 -0.14956E-01 -0.12987E-01 5379 0.741E-01 0.772E-01 RMM: 3 -0.358344161455E+03 0.53633E-02 -0.88851E-03 5586 0.200E-01 0.220E-01 RMM: 4 -0.358344322608E+03 -0.16115E-03 -0.11236E-03 4701 0.781E-02 0.288E-01 RMM: 5 -0.358343840545E+03 0.48206E-03 -0.35407E-04 4089 0.480E-02 0.140E-01 RMM: 6 -0.358343747204E+03 0.93341E-04 -0.13769E-04 3877 0.319E-02 0.785E-02 RMM: 7 -0.358343822207E+03 -0.75003E-04 -0.85059E-05 3687 0.242E-02 0.133E-01 RMM: 8 -0.358343710191E+03 0.11202E-03 -0.48241E-05 3232 0.213E-02 0.301E-02 RMM: 9 -0.358343711309E+03 -0.11185E-05 -0.12972E-05 2486 0.102E-02 6680 T= 6865. E= 0.69122553E+03 F= 0.63443522E+03 E0= 0.66431056E+03 EK= 0.56790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358297059457E+03 0.46651E-01 -0.20985E-01 8604 0.238E+01 0.269E-01 RMM: 2 -0.358314950050E+03 -0.17891E-01 -0.12744E-01 5291 0.755E-01 0.105E+00 RMM: 3 -0.358306613516E+03 0.83365E-02 -0.95166E-03 5697 0.206E-01 0.210E-01 RMM: 4 -0.358306581575E+03 0.31940E-04 -0.11114E-03 4701 0.785E-02 0.242E-01 RMM: 5 -0.358306293437E+03 0.28814E-03 -0.37563E-04 4360 0.516E-02 0.150E-01 RMM: 6 -0.358306195352E+03 0.98085E-04 -0.16097E-04 3880 0.335E-02 0.944E-02 RMM: 7 -0.358306264271E+03 -0.68919E-04 -0.11382E-04 3842 0.286E-02 0.139E-01 RMM: 8 -0.358306146623E+03 0.11765E-03 -0.58837E-05 3386 0.229E-02 0.397E-02 RMM: 9 -0.358306142056E+03 0.45666E-05 -0.12321E-05 2490 0.987E-03 6681 T= 6500. E= 0.68846574E+03 F= 0.63469653E+03 E0= 0.66461422E+03 EK= 0.53769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358291283167E+03 0.14863E-01 -0.19324E-01 8484 0.230E+01 0.276E-01 RMM: 2 -0.358309816362E+03 -0.18533E-01 -0.12265E-01 5324 0.747E-01 0.113E+00 RMM: 3 -0.358300445132E+03 0.93712E-02 -0.96362E-03 5502 0.215E-01 0.233E-01 RMM: 4 -0.358300331541E+03 0.11359E-03 -0.11403E-03 4704 0.759E-02 0.224E-01 RMM: 5 -0.358300102110E+03 0.22943E-03 -0.41546E-04 4511 0.552E-02 0.163E-01 RMM: 6 -0.358299984616E+03 0.11749E-03 -0.19675E-04 3884 0.364E-02 0.997E-02 RMM: 7 -0.358300078737E+03 -0.94122E-04 -0.12745E-04 3878 0.302E-02 0.154E-01 RMM: 8 -0.358299929814E+03 0.14892E-03 -0.67129E-05 3476 0.242E-02 0.388E-02 RMM: 9 -0.358299927394E+03 0.24200E-05 -0.14720E-05 2514 0.109E-02 6682 T= 6117. E= 0.68553766E+03 F= 0.63493028E+03 E0= 0.66488544E+03 EK= 0.50607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358342225059E+03 -0.42295E-01 -0.17987E-01 8256 0.224E+01 0.291E-01 RMM: 2 -0.358362657125E+03 -0.20432E-01 -0.11716E-01 5239 0.750E-01 0.130E+00 RMM: 3 -0.358351024492E+03 0.11633E-01 -0.10349E-02 5587 0.219E-01 0.239E-01 RMM: 4 -0.358350822479E+03 0.20201E-03 -0.12471E-03 4719 0.808E-02 0.216E-01 RMM: 5 -0.358350662670E+03 0.15981E-03 -0.41239E-04 4506 0.544E-02 0.177E-01 RMM: 6 -0.358350506030E+03 0.15664E-03 -0.19158E-04 3880 0.364E-02 0.920E-02 RMM: 7 -0.358350585063E+03 -0.79033E-04 -0.12592E-04 3875 0.305E-02 0.142E-01 RMM: 8 -0.358350463450E+03 0.12161E-03 -0.59355E-05 3405 0.230E-02 0.437E-02 RMM: 9 -0.358350457113E+03 0.63369E-05 -0.13673E-05 2496 0.105E-02 6683 T= 5846. E= 0.68347043E+03 F= 0.63511047E+03 E0= 0.66509743E+03 EK= 0.48360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358440248270E+03 -0.89785E-01 -0.17448E-01 8196 0.221E+01 0.290E-01 RMM: 2 -0.358457731778E+03 -0.17484E-01 -0.11018E-01 5348 0.711E-01 0.117E+00 RMM: 3 -0.358448246729E+03 0.94850E-02 -0.93106E-03 5469 0.211E-01 0.235E-01 RMM: 4 -0.358448245394E+03 0.13347E-05 -0.12297E-03 4675 0.789E-02 0.255E-01 RMM: 5 -0.358447942779E+03 0.30261E-03 -0.40155E-04 4414 0.525E-02 0.169E-01 RMM: 6 -0.358447791287E+03 0.15149E-03 -0.17849E-04 3881 0.350E-02 0.826E-02 RMM: 7 -0.358447880033E+03 -0.88746E-04 -0.11304E-04 3848 0.283E-02 0.142E-01 RMM: 8 -0.358447755992E+03 0.12404E-03 -0.57251E-05 3381 0.228E-02 0.374E-02 RMM: 9 -0.358447752711E+03 0.32814E-05 -0.13229E-05 2493 0.104E-02 6684 T= 5755. E= 0.68285625E+03 F= 0.63524445E+03 E0= 0.66525776E+03 EK= 0.47612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358532901622E+03 -0.85146E-01 -0.18173E-01 8700 0.221E+01 0.308E-01 RMM: 2 -0.358553577282E+03 -0.20676E-01 -0.11320E-01 5379 0.719E-01 0.135E+00 RMM: 3 -0.358541016646E+03 0.12561E-01 -0.95990E-03 5512 0.211E-01 0.229E-01 RMM: 4 -0.358541046009E+03 -0.29362E-04 -0.14757E-03 4679 0.886E-02 0.269E-01 RMM: 5 -0.358540727489E+03 0.31852E-03 -0.36975E-04 4058 0.488E-02 0.176E-01 RMM: 6 -0.358540544171E+03 0.18332E-03 -0.14575E-04 3875 0.332E-02 0.651E-02 RMM: 7 -0.358540616509E+03 -0.72338E-04 -0.97063E-05 3771 0.260E-02 0.123E-01 RMM: 8 -0.358540526729E+03 0.89781E-04 -0.44869E-05 3205 0.210E-02 0.419E-02 RMM: 9 -0.358540519260E+03 0.74687E-05 -0.11851E-05 2479 0.973E-03 6685 T= 5861. E= 0.68386877E+03 F= 0.63537982E+03 E0= 0.66541275E+03 EK= 0.48489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358532320741E+03 0.82060E-02 -0.19793E-01 9072 0.225E+01 0.306E-01 RMM: 2 -0.358550135825E+03 -0.17815E-01 -0.12995E-01 5407 0.749E-01 0.107E+00 RMM: 3 -0.358541825667E+03 0.83102E-02 -0.10004E-02 5457 0.214E-01 0.233E-01 RMM: 4 -0.358542161984E+03 -0.33632E-03 -0.14101E-03 4670 0.850E-02 0.336E-01 RMM: 5 -0.358541503107E+03 0.65888E-03 -0.36808E-04 4007 0.467E-02 0.146E-01 RMM: 6 -0.358541382391E+03 0.12072E-03 -0.13623E-04 3873 0.319E-02 0.654E-02 RMM: 7 -0.358541451343E+03 -0.68952E-04 -0.82915E-05 3664 0.238E-02 0.123E-01 RMM: 8 -0.358541359332E+03 0.92011E-04 -0.46873E-05 3183 0.210E-02 0.369E-02 RMM: 9 -0.358541355709E+03 0.36231E-05 -0.15203E-05 2494 0.112E-02 6686 T= 6130. E= 0.68630843E+03 F= 0.63560056E+03 E0= 0.66564574E+03 EK= 0.50708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358331415621E+03 0.20994E+00 -0.22497E-01 9072 0.231E+01 0.329E-01 RMM: 2 -0.358355826385E+03 -0.24411E-01 -0.16245E-01 5450 0.831E-01 0.130E+00 RMM: 3 -0.358343618714E+03 0.12208E-01 -0.12075E-02 5528 0.227E-01 0.224E-01 RMM: 4 -0.358343896546E+03 -0.27783E-03 -0.17906E-03 4703 0.980E-02 0.336E-01 RMM: 5 -0.358343222892E+03 0.67365E-03 -0.45333E-04 4223 0.528E-02 0.135E-01 RMM: 6 -0.358343121188E+03 0.10170E-03 -0.10151E-04 3764 0.265E-02 0.634E-02 RMM: 7 -0.358343176229E+03 -0.55041E-04 -0.91406E-05 3776 0.248E-02 0.115E-01 RMM: 8 -0.358343098668E+03 0.77561E-04 -0.50679E-05 3261 0.208E-02 0.383E-02 RMM: 9 -0.358343096079E+03 0.25892E-05 -0.15357E-05 2500 0.111E-02 6687 T= 6476. E= 0.68958491E+03 F= 0.63601183E+03 E0= 0.66606032E+03 EK= 0.53573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357836492739E+03 0.50661E+00 -0.27324E-01 9072 0.236E+01 0.326E-01 RMM: 2 -0.357861298013E+03 -0.24805E-01 -0.20136E-01 5455 0.904E-01 0.109E+00 RMM: 3 -0.357851930510E+03 0.93675E-02 -0.14379E-02 5647 0.239E-01 0.230E-01 RMM: 4 -0.357852274387E+03 -0.34388E-03 -0.16528E-03 4698 0.919E-02 0.363E-01 RMM: 5 -0.357851461642E+03 0.81274E-03 -0.44136E-04 4226 0.513E-02 0.138E-01 RMM: 6 -0.357851356012E+03 0.10563E-03 -0.12676E-04 3861 0.297E-02 0.636E-02 RMM: 7 -0.357851409981E+03 -0.53968E-04 -0.84420E-05 3753 0.234E-02 0.115E-01 RMM: 8 -0.357851332935E+03 0.77046E-04 -0.59245E-05 3374 0.215E-02 0.455E-02 RMM: 9 -0.357851330144E+03 0.27905E-05 -0.22820E-05 2580 0.137E-02 6688 T= 6775. E= 0.69275574E+03 F= 0.63670802E+03 E0= 0.66675093E+03 EK= 0.56048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357000143733E+03 0.85119E+00 -0.33235E-01 8952 0.240E+01 0.322E-01 RMM: 2 -0.357029852459E+03 -0.29709E-01 -0.23546E-01 5496 0.952E-01 0.118E+00 RMM: 3 -0.357018323216E+03 0.11529E-01 -0.15411E-02 5664 0.244E-01 0.219E-01 RMM: 4 -0.357018607768E+03 -0.28455E-03 -0.17984E-03 4740 0.969E-02 0.349E-01 RMM: 5 -0.357017864879E+03 0.74289E-03 -0.46485E-04 4277 0.526E-02 0.130E-01 RMM: 6 -0.357017775540E+03 0.89339E-04 -0.10261E-04 3779 0.260E-02 0.674E-02 RMM: 7 -0.357017823599E+03 -0.48058E-04 -0.10155E-04 3864 0.256E-02 0.114E-01 RMM: 8 -0.357017745524E+03 0.78075E-04 -0.68597E-05 3494 0.229E-02 0.345E-02 RMM: 9 -0.357017750353E+03 -0.48288E-05 -0.18980E-05 2534 0.125E-02 6689 T= 6902. E= 0.69483816E+03 F= 0.63773917E+03 E0= 0.66776783E+03 EK= 0.57099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355851426052E+03 0.11663E+01 -0.40345E-01 8844 0.240E+01 0.301E-01 RMM: 2 -0.355882440741E+03 -0.31015E-01 -0.25718E-01 5641 0.969E-01 0.108E+00 RMM: 3 -0.355871538000E+03 0.10903E-01 -0.14155E-02 5678 0.238E-01 0.223E-01 RMM: 4 -0.355871673637E+03 -0.13564E-03 -0.16525E-03 4781 0.921E-02 0.306E-01 RMM: 5 -0.355871103835E+03 0.56980E-03 -0.39667E-04 4040 0.476E-02 0.132E-01 RMM: 6 -0.355871019209E+03 0.84626E-04 -0.11724E-04 3852 0.292E-02 0.732E-02 RMM: 7 -0.355871090042E+03 -0.70834E-04 -0.98252E-05 3825 0.254E-02 0.128E-01 RMM: 8 -0.355870989309E+03 0.10073E-03 -0.68760E-05 3521 0.229E-02 0.387E-02 RMM: 9 -0.355870988105E+03 0.12040E-05 -0.19556E-05 2536 0.127E-02 6690 T= 6801. E= 0.69534304E+03 F= 0.63907927E+03 E0= 0.66908745E+03 EK= 0.56264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354492434512E+03 0.13786E+01 -0.46166E-01 8700 0.236E+01 0.273E-01 RMM: 2 -0.354522291216E+03 -0.29857E-01 -0.25794E-01 5966 0.961E-01 0.956E-01 RMM: 3 -0.354513507893E+03 0.87833E-02 -0.11776E-02 5528 0.232E-01 0.197E-01 RMM: 4 -0.354513665286E+03 -0.15739E-03 -0.14166E-03 4775 0.833E-02 0.279E-01 RMM: 5 -0.354513191247E+03 0.47404E-03 -0.36052E-04 4119 0.472E-02 0.116E-01 RMM: 6 -0.354513151250E+03 0.39997E-04 -0.10868E-04 3833 0.276E-02 0.878E-02 RMM: 7 -0.354513197186E+03 -0.45936E-04 -0.10383E-04 3877 0.265E-02 0.121E-01 RMM: 8 -0.354513105444E+03 0.91742E-04 -0.56182E-05 3343 0.218E-02 0.295E-02 RMM: 9 -0.354513110731E+03 -0.52871E-05 -0.15807E-05 2502 0.113E-02 6691 T= 6523. E= 0.69459017E+03 F= 0.64062880E+03 E0= 0.67061295E+03 EK= 0.53961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353065979247E+03 0.14471E+01 -0.49380E-01 8700 0.231E+01 0.270E-01 RMM: 2 -0.353096487758E+03 -0.30509E-01 -0.25433E-01 6061 0.947E-01 0.103E+00 RMM: 3 -0.353086844261E+03 0.96435E-02 -0.10818E-02 5479 0.227E-01 0.235E-01 RMM: 4 -0.353086748968E+03 0.95292E-04 -0.14083E-03 4773 0.806E-02 0.229E-01 RMM: 5 -0.353086488835E+03 0.26013E-03 -0.33854E-04 4086 0.465E-02 0.145E-01 RMM: 6 -0.353086387986E+03 0.10085E-03 -0.14317E-04 3881 0.325E-02 0.813E-02 RMM: 7 -0.353086468211E+03 -0.80225E-04 -0.11769E-04 3884 0.286E-02 0.134E-01 RMM: 8 -0.353086355827E+03 0.11238E-03 -0.59126E-05 3375 0.226E-02 0.376E-02 RMM: 9 -0.353086353972E+03 0.18548E-05 -0.15738E-05 2511 0.114E-02 6692 T= 6191. E= 0.69346307E+03 F= 0.64224696E+03 E0= 0.67220743E+03 EK= 0.51216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351706952986E+03 0.13794E+01 -0.50837E-01 8820 0.227E+01 0.266E-01 RMM: 2 -0.351738102611E+03 -0.31150E-01 -0.25293E-01 6000 0.955E-01 0.107E+00 RMM: 3 -0.351727877445E+03 0.10225E-01 -0.11922E-02 5482 0.232E-01 0.234E-01 RMM: 4 -0.351727755782E+03 0.12166E-03 -0.14369E-03 4793 0.822E-02 0.223E-01 RMM: 5 -0.351727486236E+03 0.26955E-03 -0.32408E-04 3977 0.453E-02 0.133E-01 RMM: 6 -0.351727416676E+03 0.69560E-04 -0.14380E-04 3885 0.327E-02 0.884E-02 RMM: 7 -0.351727483509E+03 -0.66833E-04 -0.11596E-04 3870 0.282E-02 0.132E-01 RMM: 8 -0.351727377375E+03 0.10613E-03 -0.63912E-05 3430 0.235E-02 0.417E-02 RMM: 9 -0.351727373612E+03 0.37626E-05 -0.15144E-05 2511 0.113E-02 6693 T= 5934. E= 0.69288675E+03 F= 0.64379696E+03 E0= 0.67373764E+03 EK= 0.49090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350518559241E+03 0.12088E+01 -0.49000E-01 8988 0.225E+01 0.308E-01 RMM: 2 -0.350554843826E+03 -0.36285E-01 -0.24614E-01 5774 0.965E-01 0.146E+00 RMM: 3 -0.350538385267E+03 0.16459E-01 -0.13869E-02 5431 0.256E-01 0.259E-01 RMM: 4 -0.350538163455E+03 0.22181E-03 -0.16826E-03 4804 0.865E-02 0.220E-01 RMM: 5 -0.350537984209E+03 0.17925E-03 -0.36822E-04 4082 0.477E-02 0.170E-01 RMM: 6 -0.350537819632E+03 0.16458E-03 -0.16029E-04 3884 0.343E-02 0.730E-02 RMM: 7 -0.350537906915E+03 -0.87282E-04 -0.12114E-04 3876 0.289E-02 0.134E-01 RMM: 8 -0.350537801301E+03 0.10561E-03 -0.63725E-05 3442 0.234E-02 0.479E-02 RMM: 9 -0.350537791312E+03 0.99887E-05 -0.16859E-05 2527 0.122E-02 6694 T= 5839. E= 0.69347923E+03 F= 0.64517559E+03 E0= 0.67510385E+03 EK= 0.48304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349553622813E+03 0.98418E+00 -0.45469E-01 8916 0.228E+01 0.287E-01 RMM: 2 -0.349584173800E+03 -0.30551E-01 -0.22918E-01 5870 0.932E-01 0.120E+00 RMM: 3 -0.349572189695E+03 0.11984E-01 -0.12362E-02 5442 0.239E-01 0.251E-01 RMM: 4 -0.349572050005E+03 0.13969E-03 -0.16071E-03 4815 0.880E-02 0.234E-01 RMM: 5 -0.349571794765E+03 0.25524E-03 -0.32165E-04 3913 0.431E-02 0.157E-01 RMM: 6 -0.349571656503E+03 0.13826E-03 -0.13090E-04 3881 0.315E-02 0.717E-02 RMM: 7 -0.349571726797E+03 -0.70294E-04 -0.11231E-04 3859 0.278E-02 0.125E-01 RMM: 8 -0.349571638165E+03 0.88631E-04 -0.59334E-05 3384 0.226E-02 0.517E-02 RMM: 9 -0.349571625901E+03 0.12264E-04 -0.17018E-05 2528 0.121E-02 6695 T= 5940. E= 0.69546956E+03 F= 0.64632647E+03 E0= 0.67625189E+03 EK= 0.49143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348826356493E+03 0.74528E+00 -0.40713E-01 8880 0.233E+01 0.321E-01 RMM: 2 -0.348858669441E+03 -0.32313E-01 -0.21861E-01 5662 0.918E-01 0.141E+00 RMM: 3 -0.348843299971E+03 0.15369E-01 -0.14003E-02 5444 0.252E-01 0.249E-01 RMM: 4 -0.348843215984E+03 0.83987E-04 -0.17372E-03 4752 0.890E-02 0.264E-01 RMM: 5 -0.348842912434E+03 0.30355E-03 -0.37171E-04 4019 0.473E-02 0.171E-01 RMM: 6 -0.348842731352E+03 0.18108E-03 -0.13478E-04 3881 0.317E-02 0.618E-02 RMM: 7 -0.348842790811E+03 -0.59460E-04 -0.96929E-05 3796 0.260E-02 0.113E-01 RMM: 8 -0.348842714059E+03 0.76752E-04 -0.52669E-05 3273 0.212E-02 0.439E-02 RMM: 9 -0.348842707415E+03 0.66447E-05 -0.19538E-05 2551 0.131E-02 6696 T= 6220. E= 0.69868589E+03 F= 0.64723362E+03 E0= 0.67716722E+03 EK= 0.51452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348326528796E+03 0.51619E+00 -0.38616E-01 8904 0.241E+01 0.292E-01 RMM: 2 -0.348354002413E+03 -0.27474E-01 -0.20824E-01 5625 0.916E-01 0.117E+00 RMM: 3 -0.348343099796E+03 0.10903E-01 -0.12765E-02 5492 0.234E-01 0.241E-01 RMM: 4 -0.348343053016E+03 0.46780E-04 -0.16674E-03 4795 0.924E-02 0.266E-01 RMM: 5 -0.348342646206E+03 0.40681E-03 -0.36445E-04 3932 0.462E-02 0.131E-01 RMM: 6 -0.348342551087E+03 0.95119E-04 -0.98614E-05 3768 0.271E-02 0.632E-02 RMM: 7 -0.348342598529E+03 -0.47443E-04 -0.91689E-05 3787 0.253E-02 0.109E-01 RMM: 8 -0.348342525336E+03 0.73193E-04 -0.49487E-05 3237 0.204E-02 0.381E-02 RMM: 9 -0.348342524795E+03 0.54106E-06 -0.16497E-05 2519 0.116E-02 6697 T= 6600. E= 0.70250023E+03 F= 0.64790456E+03 E0= 0.67785633E+03 EK= 0.54596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348057460843E+03 0.28506E+00 -0.36475E-01 8904 0.249E+01 0.337E-01 RMM: 2 -0.348089813458E+03 -0.32353E-01 -0.20582E-01 5417 0.953E-01 0.150E+00 RMM: 3 -0.348073635133E+03 0.16178E-01 -0.15397E-02 5426 0.268E-01 0.307E-01 RMM: 4 -0.348073329980E+03 0.30515E-03 -0.19364E-03 4865 0.962E-02 0.247E-01 RMM: 5 -0.348073053125E+03 0.27685E-03 -0.38033E-04 3941 0.458E-02 0.170E-01 RMM: 6 -0.348072874348E+03 0.17878E-03 -0.13468E-04 3858 0.318E-02 0.631E-02 RMM: 7 -0.348072929060E+03 -0.54712E-04 -0.87650E-05 3657 0.246E-02 0.116E-01 RMM: 8 -0.348072853362E+03 0.75698E-04 -0.57791E-05 3323 0.212E-02 0.500E-02 RMM: 9 -0.348072842830E+03 0.10532E-04 -0.20680E-05 2555 0.133E-02 6698 T= 6950. E= 0.70583385E+03 F= 0.64833813E+03 E0= 0.67831619E+03 EK= 0.57496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348061608461E+03 0.11245E-01 -0.33636E-01 8904 0.254E+01 0.309E-01 RMM: 2 -0.348086619907E+03 -0.25011E-01 -0.18554E-01 5627 0.906E-01 0.116E+00 RMM: 3 -0.348076323413E+03 0.10296E-01 -0.12845E-02 5434 0.242E-01 0.304E-01 RMM: 4 -0.348075986968E+03 0.33645E-03 -0.16175E-03 4726 0.881E-02 0.223E-01 RMM: 5 -0.348075755455E+03 0.23151E-03 -0.31340E-04 3927 0.398E-02 0.168E-01 RMM: 6 -0.348075593351E+03 0.16210E-03 -0.13031E-04 3868 0.317E-02 0.703E-02 RMM: 7 -0.348075646579E+03 -0.53228E-04 -0.89856E-05 3697 0.248E-02 0.118E-01 RMM: 8 -0.348075570466E+03 0.76114E-04 -0.73322E-05 3635 0.226E-02 0.593E-02 RMM: 9 -0.348075552005E+03 0.18461E-04 -0.23848E-05 2642 0.144E-02 6699 T= 7130. E= 0.70747907E+03 F= 0.64849453E+03 E0= 0.67850318E+03 EK= 0.58985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348420983163E+03 -0.34541E+00 -0.29199E-01 8904 0.254E+01 0.364E-01 RMM: 2 -0.348456897683E+03 -0.35915E-01 -0.17585E-01 5413 0.922E-01 0.181E+00 RMM: 3 -0.348434660698E+03 0.22237E-01 -0.16430E-02 5395 0.283E-01 0.347E-01 RMM: 4 -0.348434046524E+03 0.61417E-03 -0.20626E-03 4868 0.972E-02 0.211E-01 RMM: 5 -0.348433941904E+03 0.10462E-03 -0.36996E-04 3973 0.458E-02 0.191E-01 RMM: 6 -0.348433705920E+03 0.23598E-03 -0.13685E-04 3880 0.321E-02 0.707E-02 RMM: 7 -0.348433755507E+03 -0.49586E-04 -0.11366E-04 3852 0.277E-02 0.115E-01 RMM: 8 -0.348433689366E+03 0.66140E-04 -0.80390E-05 3629 0.237E-02 0.650E-02 RMM: 9 -0.348433665036E+03 0.24330E-04 -0.22413E-05 2586 0.141E-02 0.240E-02 RMM: 10 -0.348433672771E+03 -0.77349E-05 -0.10867E-05 2465 0.977E-03 6700 T= 7065. E= 0.70673809E+03 F= 0.64829371E+03 E0= 0.67833384E+03 EK= 0.58444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349208605919E+03 -0.77494E+00 -0.23356E-01 8700 0.249E+01 0.263E-01 RMM: 2 -0.349228040136E+03 -0.19434E-01 -0.14487E-01 5316 0.841E-01 0.103E+00 RMM: 3 -0.349220118743E+03 0.79214E-02 -0.11916E-02 5538 0.229E-01 0.254E-01 RMM: 4 -0.349219828142E+03 0.29060E-03 -0.12103E-03 4745 0.779E-02 0.189E-01 RMM: 5 -0.349219608097E+03 0.22004E-03 -0.23423E-04 3897 0.370E-02 0.117E-01 RMM: 6 -0.349219551825E+03 0.56272E-04 -0.90165E-05 3692 0.264E-02 0.778E-02 RMM: 7 -0.349219612728E+03 -0.60903E-04 -0.10761E-04 3882 0.265E-02 0.128E-01 RMM: 8 -0.349219507681E+03 0.10505E-03 -0.66626E-05 3434 0.230E-02 0.360E-02 RMM: 9 -0.349219503847E+03 0.38338E-05 -0.13338E-05 2491 0.103E-02 6701 T= 6794. E= 0.70386970E+03 F= 0.64766644E+03 E0= 0.67773603E+03 EK= 0.56203E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350431452285E+03 -0.12119E+01 -0.18941E-01 8136 0.242E+01 0.268E-01 RMM: 2 -0.350448228284E+03 -0.16776E-01 -0.10653E-01 5260 0.746E-01 0.112E+00 RMM: 3 -0.350439540403E+03 0.86879E-02 -0.99386E-03 5635 0.208E-01 0.236E-01 RMM: 4 -0.350439301844E+03 0.23856E-03 -0.10157E-03 4669 0.723E-02 0.195E-01 RMM: 5 -0.350439142721E+03 0.15912E-03 -0.26108E-04 3918 0.415E-02 0.146E-01 RMM: 6 -0.350439023238E+03 0.11948E-03 -0.13085E-04 3877 0.321E-02 0.688E-02 RMM: 7 -0.350439112701E+03 -0.89463E-04 -0.91192E-05 3691 0.247E-02 0.138E-01 RMM: 8 -0.350438998677E+03 0.11402E-03 -0.57393E-05 3352 0.226E-02 0.425E-02 RMM: 9 -0.350438991456E+03 0.72208E-05 -0.14930E-05 2499 0.111E-02 6702 T= 6439. E= 0.69987700E+03 F= 0.64660907E+03 E0= 0.67670556E+03 EK= 0.53268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352025916904E+03 -0.15869E+01 -0.17814E-01 7956 0.234E+01 0.283E-01 RMM: 2 -0.352045801651E+03 -0.19885E-01 -0.10642E-01 5090 0.753E-01 0.130E+00 RMM: 3 -0.352034060992E+03 0.11741E-01 -0.11161E-02 5469 0.230E-01 0.285E-01 RMM: 4 -0.352033620915E+03 0.44008E-03 -0.13415E-03 4696 0.819E-02 0.165E-01 RMM: 5 -0.352033599743E+03 0.21172E-04 -0.30097E-04 3997 0.447E-02 0.174E-01 RMM: 6 -0.352033418263E+03 0.18148E-03 -0.14338E-04 3878 0.333E-02 0.692E-02 RMM: 7 -0.352033489027E+03 -0.70764E-04 -0.10055E-04 3749 0.265E-02 0.124E-01 RMM: 8 -0.352033405174E+03 0.83853E-04 -0.51973E-05 3303 0.220E-02 0.512E-02 RMM: 9 -0.352033392860E+03 0.12314E-04 -0.14934E-05 2502 0.114E-02 6703 T= 6129. E= 0.69588688E+03 F= 0.64518129E+03 E0= 0.67530257E+03 EK= 0.50706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353904765705E+03 -0.18714E+01 -0.17945E-01 8772 0.228E+01 0.319E-01 RMM: 2 -0.353926360712E+03 -0.21595E-01 -0.11072E-01 5268 0.747E-01 0.141E+00 RMM: 3 -0.353912908624E+03 0.13452E-01 -0.11780E-02 5435 0.239E-01 0.297E-01 RMM: 4 -0.353912456243E+03 0.45238E-03 -0.13985E-03 4689 0.803E-02 0.181E-01 RMM: 5 -0.353912438157E+03 0.18086E-04 -0.33976E-04 4029 0.465E-02 0.192E-01 RMM: 6 -0.353912222077E+03 0.21608E-03 -0.17280E-04 3885 0.368E-02 0.752E-02 RMM: 7 -0.353912282642E+03 -0.60566E-04 -0.93262E-05 3708 0.254E-02 0.120E-01 RMM: 8 -0.353912215370E+03 0.67272E-04 -0.56525E-05 3361 0.225E-02 0.663E-02 RMM: 9 -0.353912191565E+03 0.23806E-04 -0.20574E-05 2576 0.138E-02 0.245E-02 RMM: 10 -0.353912199564E+03 -0.79995E-05 -0.10085E-05 2458 0.899E-03 6704 T= 5951. E= 0.69270199E+03 F= 0.64347308E+03 E0= 0.67361763E+03 EK= 0.49229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355972078294E+03 -0.20599E+01 -0.19664E-01 8928 0.224E+01 0.263E-01 RMM: 2 -0.355989634057E+03 -0.17556E-01 -0.12849E-01 5253 0.760E-01 0.102E+00 RMM: 3 -0.355981978440E+03 0.76556E-02 -0.10632E-02 5602 0.211E-01 0.234E-01 RMM: 4 -0.355981798180E+03 0.18026E-03 -0.11087E-03 4665 0.748E-02 0.208E-01 RMM: 5 -0.355981595265E+03 0.20292E-03 -0.25020E-04 3907 0.403E-02 0.136E-01 RMM: 6 -0.355981495705E+03 0.99560E-04 -0.95161E-05 3699 0.274E-02 0.671E-02 RMM: 7 -0.355981559104E+03 -0.63399E-04 -0.92732E-05 3753 0.250E-02 0.120E-01 RMM: 8 -0.355981472947E+03 0.86157E-04 -0.54567E-05 3322 0.222E-02 0.374E-02 RMM: 9 -0.355981468037E+03 0.49100E-05 -0.12637E-05 2484 0.103E-02 6705 T= 5937. E= 0.69068794E+03 F= 0.64157662E+03 E0= 0.67174323E+03 EK= 0.49111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358128655888E+03 -0.21472E+01 -0.22048E-01 9024 0.223E+01 0.299E-01 RMM: 2 -0.358149716392E+03 -0.21061E-01 -0.13424E-01 5502 0.747E-01 0.123E+00 RMM: 3 -0.358138531623E+03 0.11185E-01 -0.96636E-03 5419 0.210E-01 0.238E-01 RMM: 4 -0.358138487870E+03 0.43753E-04 -0.13434E-03 4666 0.814E-02 0.246E-01 RMM: 5 -0.358138181018E+03 0.30685E-03 -0.31364E-04 3926 0.426E-02 0.151E-01 RMM: 6 -0.358138053476E+03 0.12754E-03 -0.15220E-04 3883 0.346E-02 0.698E-02 RMM: 7 -0.358138159447E+03 -0.10597E-03 -0.10607E-04 3799 0.263E-02 0.145E-01 RMM: 8 -0.358138032836E+03 0.12661E-03 -0.60715E-05 3392 0.225E-02 0.462E-02 RMM: 9 -0.358138022511E+03 0.10325E-04 -0.16542E-05 2513 0.118E-02 6706 T= 6073. E= 0.68983029E+03 F= 0.63959284E+03 E0= 0.66977924E+03 EK= 0.50237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360249777573E+03 -0.21117E+01 -0.26243E-01 8976 0.225E+01 0.276E-01 RMM: 2 -0.360271085296E+03 -0.21308E-01 -0.16052E-01 5571 0.780E-01 0.107E+00 RMM: 3 -0.360261878436E+03 0.92069E-02 -0.96059E-03 5452 0.205E-01 0.210E-01 RMM: 4 -0.360262056862E+03 -0.17843E-03 -0.13173E-03 4671 0.812E-02 0.283E-01 RMM: 5 -0.360261600822E+03 0.45604E-03 -0.31163E-04 3940 0.430E-02 0.136E-01 RMM: 6 -0.360261498699E+03 0.10212E-03 -0.93826E-05 3690 0.266E-02 0.673E-02 RMM: 7 -0.360261571004E+03 -0.72305E-04 -0.11502E-04 3878 0.267E-02 0.128E-01 RMM: 8 -0.360261470691E+03 0.10031E-03 -0.73991E-05 3553 0.237E-02 0.325E-02 RMM: 9 -0.360261469682E+03 0.10088E-05 -0.13678E-05 2503 0.108E-02 6707 T= 6304. E= 0.68979092E+03 F= 0.63764017E+03 E0= 0.66784338E+03 EK= 0.52151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362207506554E+03 -0.19460E+01 -0.32419E-01 8808 0.228E+01 0.301E-01 RMM: 2 -0.362232124157E+03 -0.24618E-01 -0.18837E-01 5691 0.828E-01 0.112E+00 RMM: 3 -0.362221776664E+03 0.10347E-01 -0.10782E-02 5412 0.216E-01 0.247E-01 RMM: 4 -0.362221854857E+03 -0.78193E-04 -0.15442E-03 4690 0.868E-02 0.287E-01 RMM: 5 -0.362221369996E+03 0.48486E-03 -0.33982E-04 3931 0.435E-02 0.141E-01 RMM: 6 -0.362221264597E+03 0.10540E-03 -0.11453E-04 3850 0.297E-02 0.707E-02 RMM: 7 -0.362221353516E+03 -0.88919E-04 -0.96992E-05 3754 0.244E-02 0.141E-01 RMM: 8 -0.362221235589E+03 0.11793E-03 -0.92621E-05 3843 0.251E-02 0.427E-02 RMM: 9 -0.362221230435E+03 0.51540E-05 -0.20100E-05 2591 0.131E-02 6708 T= 6542. E= 0.68997173E+03 F= 0.63584815E+03 E0= 0.66606516E+03 EK= 0.54124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363879549899E+03 -0.16583E+01 -0.40046E-01 8916 0.230E+01 0.291E-01 RMM: 2 -0.363907164643E+03 -0.27615E-01 -0.22086E-01 5890 0.869E-01 0.110E+00 RMM: 3 -0.363896602235E+03 0.10562E-01 -0.10775E-02 5448 0.214E-01 0.192E-01 RMM: 4 -0.363896916337E+03 -0.31410E-03 -0.14897E-03 4694 0.852E-02 0.313E-01 RMM: 5 -0.363896322719E+03 0.59362E-03 -0.36916E-04 3968 0.469E-02 0.125E-01 RMM: 6 -0.363896246966E+03 0.75753E-04 -0.97936E-05 3787 0.262E-02 0.740E-02 RMM: 7 -0.363896313764E+03 -0.66798E-04 -0.12213E-04 3882 0.275E-02 0.127E-01 RMM: 8 -0.363896217675E+03 0.96089E-04 -0.81302E-05 3647 0.242E-02 0.397E-02 RMM: 9 -0.363896215823E+03 0.18519E-05 -0.16942E-05 2531 0.119E-02 6709 T= 6691. E= 0.68969108E+03 F= 0.63433792E+03 E0= 0.66456582E+03 EK= 0.55353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365177691124E+03 -0.12815E+01 -0.48833E-01 8880 0.230E+01 0.272E-01 RMM: 2 -0.365204592106E+03 -0.26901E-01 -0.24348E-01 6061 0.906E-01 0.832E-01 RMM: 3 -0.365197356253E+03 0.72359E-02 -0.10331E-02 5433 0.214E-01 0.200E-01 RMM: 4 -0.365197678722E+03 -0.32247E-03 -0.13371E-03 4732 0.797E-02 0.314E-01 RMM: 5 -0.365197063603E+03 0.61512E-03 -0.34732E-04 3984 0.452E-02 0.106E-01 RMM: 6 -0.365197030530E+03 0.33073E-04 -0.11104E-04 3869 0.277E-02 0.854E-02 RMM: 7 -0.365197097845E+03 -0.67315E-04 -0.10651E-04 3862 0.258E-02 0.132E-01 RMM: 8 -0.365196991123E+03 0.10672E-03 -0.62305E-05 3438 0.218E-02 0.338E-02 RMM: 9 -0.365196994510E+03 -0.33875E-05 -0.18104E-05 2527 0.124E-02 6710 T= 6685. E= 0.68849991E+03 F= 0.63319979E+03 E0= 0.66343638E+03 EK= 0.55300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366061961824E+03 -0.86497E+00 -0.56140E-01 8820 0.228E+01 0.283E-01 RMM: 2 -0.366092162355E+03 -0.30201E-01 -0.24965E-01 6443 0.894E-01 0.105E+00 RMM: 3 -0.366082131027E+03 0.10031E-01 -0.88316E-03 5391 0.203E-01 0.180E-01 RMM: 4 -0.366082467035E+03 -0.33601E-03 -0.13909E-03 4697 0.813E-02 0.308E-01 RMM: 5 -0.366081931795E+03 0.53524E-03 -0.34717E-04 3981 0.464E-02 0.131E-01 RMM: 6 -0.366081852081E+03 0.79714E-04 -0.11495E-04 3875 0.287E-02 0.767E-02 RMM: 7 -0.366081925586E+03 -0.73505E-04 -0.11434E-04 3882 0.268E-02 0.127E-01 RMM: 8 -0.366081827834E+03 0.97752E-04 -0.62103E-05 3426 0.225E-02 0.356E-02 RMM: 9 -0.366081827653E+03 0.18101E-06 -0.14766E-05 2496 0.110E-02 6711 T= 6524. E= 0.68644936E+03 F= 0.63247663E+03 E0= 0.66271958E+03 EK= 0.53973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366537231422E+03 -0.45540E+00 -0.62061E-01 8760 0.225E+01 0.273E-01 RMM: 2 -0.366565794874E+03 -0.28563E-01 -0.24620E-01 6900 0.874E-01 0.929E-01 RMM: 3 -0.366557559603E+03 0.82353E-02 -0.76296E-03 5345 0.196E-01 0.204E-01 RMM: 4 -0.366557861110E+03 -0.30151E-03 -0.13284E-03 4725 0.760E-02 0.298E-01 RMM: 5 -0.366557317256E+03 0.54385E-03 -0.31054E-04 3925 0.440E-02 0.115E-01 RMM: 6 -0.366557282707E+03 0.34549E-04 -0.12755E-04 3879 0.303E-02 0.919E-02 RMM: 7 -0.366557351161E+03 -0.68454E-04 -0.96122E-05 3823 0.256E-02 0.132E-01 RMM: 8 -0.366557244068E+03 0.10709E-03 -0.54768E-05 3333 0.215E-02 0.334E-02 RMM: 9 -0.366557248419E+03 -0.43511E-05 -0.16411E-05 2516 0.116E-02 6712 T= 6275. E= 0.68407275E+03 F= 0.63216260E+03 E0= 0.66241001E+03 EK= 0.51910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366648252855E+03 -0.91009E-01 -0.65141E-01 8748 0.222E+01 0.274E-01 RMM: 2 -0.366677863666E+03 -0.29611E-01 -0.24418E-01 6673 0.875E-01 0.104E+00 RMM: 3 -0.366668290052E+03 0.95736E-02 -0.82472E-03 5393 0.194E-01 0.196E-01 RMM: 4 -0.366668453223E+03 -0.16317E-03 -0.14368E-03 4709 0.787E-02 0.267E-01 RMM: 5 -0.366668083457E+03 0.36977E-03 -0.32209E-04 3946 0.447E-02 0.138E-01 RMM: 6 -0.366668000772E+03 0.82686E-04 -0.12297E-04 3882 0.301E-02 0.818E-02 RMM: 7 -0.366668069078E+03 -0.68306E-04 -0.10303E-04 3850 0.261E-02 0.124E-01 RMM: 8 -0.366667976641E+03 0.92437E-04 -0.54273E-05 3328 0.218E-02 0.353E-02 RMM: 9 -0.366667978101E+03 -0.14598E-05 -0.14012E-05 2491 0.106E-02 6713 T= 6030. E= 0.68209587E+03 F= 0.63221275E+03 E0= 0.66246309E+03 EK= 0.49883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366464233774E+03 0.20374E+00 -0.65595E-01 8808 0.219E+01 0.268E-01 RMM: 2 -0.366492269029E+03 -0.28035E-01 -0.23174E-01 6615 0.864E-01 0.100E+00 RMM: 3 -0.366483371162E+03 0.88979E-02 -0.88765E-03 5366 0.204E-01 0.212E-01 RMM: 4 -0.366483429077E+03 -0.57915E-04 -0.12442E-03 4751 0.719E-02 0.240E-01 RMM: 5 -0.366483108908E+03 0.32017E-03 -0.26923E-04 3902 0.408E-02 0.125E-01 RMM: 6 -0.366483056959E+03 0.51949E-04 -0.12580E-04 3883 0.304E-02 0.889E-02 RMM: 7 -0.366483135835E+03 -0.78875E-04 -0.98079E-05 3803 0.261E-02 0.136E-01 RMM: 8 -0.366483024994E+03 0.11084E-03 -0.58446E-05 3388 0.225E-02 0.347E-02 RMM: 9 -0.366483027442E+03 -0.24472E-05 -0.15733E-05 2509 0.114E-02 6714 T= 5872. E= 0.68113037E+03 F= 0.63255684E+03 E0= 0.66281002E+03 EK= 0.48574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366067840753E+03 0.41518E+00 -0.63984E-01 8724 0.219E+01 0.253E-01 RMM: 2 -0.366095364647E+03 -0.27524E-01 -0.21950E-01 6516 0.855E-01 0.105E+00 RMM: 3 -0.366086084428E+03 0.92802E-02 -0.82648E-03 5394 0.192E-01 0.208E-01 RMM: 4 -0.366085990941E+03 0.93487E-04 -0.11689E-03 4687 0.716E-02 0.195E-01 RMM: 5 -0.366085824157E+03 0.16678E-03 -0.25340E-04 3901 0.399E-02 0.132E-01 RMM: 6 -0.366085758737E+03 0.65420E-04 -0.11435E-04 3861 0.291E-02 0.860E-02 RMM: 7 -0.366085828345E+03 -0.69608E-04 -0.99506E-05 3805 0.260E-02 0.128E-01 RMM: 8 -0.366085732421E+03 0.95924E-04 -0.54267E-05 3328 0.220E-02 0.384E-02 RMM: 9 -0.366085730633E+03 0.17886E-05 -0.13294E-05 2488 0.104E-02 6715 T= 5852. E= 0.68152513E+03 F= 0.63310957E+03 E0= 0.66336678E+03 EK= 0.48416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365560628157E+03 0.52510E+00 -0.61148E-01 8760 0.221E+01 0.248E-01 RMM: 2 -0.365586723425E+03 -0.26095E-01 -0.20974E-01 6570 0.855E-01 0.100E+00 RMM: 3 -0.365578231315E+03 0.84921E-02 -0.83999E-03 5358 0.199E-01 0.215E-01 RMM: 4 -0.365578098194E+03 0.13312E-03 -0.10650E-03 4745 0.648E-02 0.172E-01 RMM: 5 -0.365577974312E+03 0.12388E-03 -0.21793E-04 3891 0.372E-02 0.128E-01 RMM: 6 -0.365577914512E+03 0.59799E-04 -0.10974E-04 3842 0.285E-02 0.858E-02 RMM: 7 -0.365578007373E+03 -0.92861E-04 -0.10266E-04 3812 0.264E-02 0.142E-01 RMM: 8 -0.365577887742E+03 0.11963E-03 -0.61150E-05 3407 0.231E-02 0.359E-02 RMM: 9 -0.365577887853E+03 -0.11040E-06 -0.15675E-05 2502 0.115E-02 6716 T= 5991. E= 0.68333000E+03 F= 0.63376703E+03 E0= 0.66403127E+03 EK= 0.49563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365070373388E+03 0.50751E+00 -0.56964E-01 8820 0.225E+01 0.260E-01 RMM: 2 -0.365099011390E+03 -0.28638E-01 -0.21348E-01 6297 0.886E-01 0.116E+00 RMM: 3 -0.365088302055E+03 0.10709E-01 -0.98010E-03 5362 0.213E-01 0.261E-01 RMM: 4 -0.365087958066E+03 0.34399E-03 -0.12742E-03 4724 0.727E-02 0.145E-01 RMM: 5 -0.365087912721E+03 0.45345E-04 -0.22417E-04 3905 0.364E-02 0.136E-01 RMM: 6 -0.365087830879E+03 0.81842E-04 -0.10102E-04 3789 0.275E-02 0.798E-02 RMM: 7 -0.365087921189E+03 -0.90310E-04 -0.11289E-04 3864 0.271E-02 0.138E-01 RMM: 8 -0.365087814885E+03 0.10630E-03 -0.63369E-05 3412 0.235E-02 0.444E-02 RMM: 9 -0.365087808721E+03 0.61638E-05 -0.14827E-05 2495 0.111E-02 6717 T= 6270. E= 0.68626812E+03 F= 0.63439940E+03 E0= 0.66467447E+03 EK= 0.51869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364749520940E+03 0.33829E+00 -0.51043E-01 8736 0.231E+01 0.292E-01 RMM: 2 -0.364780220000E+03 -0.30699E-01 -0.21419E-01 6153 0.898E-01 0.129E+00 RMM: 3 -0.364767200310E+03 0.13020E-01 -0.11533E-02 5355 0.237E-01 0.280E-01 RMM: 4 -0.364766805869E+03 0.39444E-03 -0.13988E-03 4743 0.740E-02 0.156E-01 RMM: 5 -0.364766781926E+03 0.23943E-04 -0.25193E-04 3920 0.395E-02 0.156E-01 RMM: 6 -0.364766651773E+03 0.13015E-03 -0.11380E-04 3795 0.291E-02 0.718E-02 RMM: 7 -0.364766738874E+03 -0.87102E-04 -0.97481E-05 3763 0.256E-02 0.133E-01 RMM: 8 -0.364766647775E+03 0.91099E-04 -0.63831E-05 3443 0.229E-02 0.543E-02 RMM: 9 -0.364766633303E+03 0.14472E-04 -0.18274E-05 2535 0.127E-02 6718 T= 6627. E= 0.68967464E+03 F= 0.63485508E+03 E0= 0.66514580E+03 EK= 0.54820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364726043961E+03 0.40604E-01 -0.45235E-01 8688 0.237E+01 0.290E-01 RMM: 2 -0.364757091241E+03 -0.31047E-01 -0.21343E-01 6046 0.890E-01 0.130E+00 RMM: 3 -0.364743637969E+03 0.13453E-01 -0.10790E-02 5353 0.230E-01 0.301E-01 RMM: 4 -0.364743198591E+03 0.43938E-03 -0.16139E-03 4713 0.819E-02 0.161E-01 RMM: 5 -0.364743137726E+03 0.60865E-04 -0.24663E-04 4006 0.350E-02 0.149E-01 RMM: 6 -0.364743017658E+03 0.12007E-03 -0.89950E-05 3670 0.265E-02 0.669E-02 RMM: 7 -0.364743097595E+03 -0.79937E-04 -0.98344E-05 3818 0.253E-02 0.128E-01 RMM: 8 -0.364743017209E+03 0.80386E-04 -0.68606E-05 3519 0.227E-02 0.579E-02 RMM: 9 -0.364742999338E+03 0.17871E-04 -0.18738E-05 2528 0.128E-02 6719 T= 6951. E= 0.69251300E+03 F= 0.63500618E+03 E0= 0.66531568E+03 EK= 0.57507E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365029892597E+03 -0.28688E+00 -0.42709E-01 8700 0.242E+01 0.288E-01 RMM: 2 -0.365060691881E+03 -0.30799E-01 -0.21900E-01 5946 0.883E-01 0.127E+00 RMM: 3 -0.365047545715E+03 0.13146E-01 -0.10754E-02 5359 0.227E-01 0.270E-01 RMM: 4 -0.365047291377E+03 0.25434E-03 -0.14738E-03 4719 0.795E-02 0.204E-01 RMM: 5 -0.365047132816E+03 0.15856E-03 -0.26136E-04 3922 0.384E-02 0.151E-01 RMM: 6 -0.365047004348E+03 0.12847E-03 -0.92634E-05 3657 0.269E-02 0.645E-02 RMM: 7 -0.365047057477E+03 -0.53129E-04 -0.83715E-05 3696 0.237E-02 0.111E-01 RMM: 8 -0.365046997067E+03 0.60410E-04 -0.81131E-05 3788 0.220E-02 0.511E-02 RMM: 9 -0.365046983610E+03 0.13457E-04 -0.18780E-05 2541 0.126E-02 6720 T= 7113. E= 0.69366815E+03 F= 0.63482439E+03 E0= 0.66515306E+03 EK= 0.58844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365560113738E+03 -0.51312E+00 -0.45968E-01 8736 0.244E+01 0.274E-01 RMM: 2 -0.365588270113E+03 -0.28156E-01 -0.22910E-01 6181 0.896E-01 0.104E+00 RMM: 3 -0.365578866437E+03 0.94037E-02 -0.92011E-03 5365 0.208E-01 0.224E-01 RMM: 4 -0.365578893631E+03 -0.27194E-04 -0.12971E-03 4683 0.775E-02 0.246E-01 RMM: 5 -0.365578526519E+03 0.36711E-03 -0.26824E-04 3908 0.391E-02 0.113E-01 RMM: 6 -0.365578468978E+03 0.57541E-04 -0.75163E-05 3516 0.242E-02 0.689E-02 RMM: 7 -0.365578532341E+03 -0.63362E-04 -0.10286E-04 3875 0.255E-02 0.121E-01 RMM: 8 -0.365578451730E+03 0.80611E-04 -0.84291E-05 3771 0.226E-02 0.441E-02 RMM: 9 -0.365578446397E+03 0.53323E-05 -0.19566E-05 2553 0.130E-02 6721 T= 7026. E= 0.69253604E+03 F= 0.63441211E+03 E0= 0.66475598E+03 EK= 0.58124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366152037118E+03 -0.57359E+00 -0.53330E-01 8904 0.242E+01 0.330E-01 RMM: 2 -0.366189467958E+03 -0.37431E-01 -0.24996E-01 6194 0.951E-01 0.150E+00 RMM: 3 -0.366172566219E+03 0.16902E-01 -0.11981E-02 5354 0.243E-01 0.319E-01 RMM: 4 -0.366172268444E+03 0.29777E-03 -0.18610E-03 4738 0.916E-02 0.248E-01 RMM: 5 -0.366171992208E+03 0.27624E-03 -0.33624E-04 3966 0.439E-02 0.165E-01 RMM: 6 -0.366171841090E+03 0.15112E-03 -0.11313E-04 3783 0.298E-02 0.712E-02 RMM: 7 -0.366171899710E+03 -0.58620E-04 -0.93702E-05 3808 0.251E-02 0.118E-01 RMM: 8 -0.366171834913E+03 0.64797E-04 -0.99329E-05 3883 0.232E-02 0.571E-02 RMM: 9 -0.366171821534E+03 0.13379E-04 -0.26161E-05 2722 0.150E-02 6722 T= 6714. E= 0.68947717E+03 F= 0.63393704E+03 E0= 0.66428951E+03 EK= 0.55540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366680969765E+03 -0.50913E+00 -0.59593E-01 8904 0.236E+01 0.302E-01 RMM: 2 -0.366713092468E+03 -0.32123E-01 -0.24811E-01 6612 0.948E-01 0.121E+00 RMM: 3 -0.366702057919E+03 0.11035E-01 -0.10092E-02 5357 0.225E-01 0.254E-01 RMM: 4 -0.366702022080E+03 0.35839E-04 -0.14449E-03 4707 0.807E-02 0.250E-01 RMM: 5 -0.366701681556E+03 0.34052E-03 -0.27520E-04 3952 0.398E-02 0.133E-01 RMM: 6 -0.366701600629E+03 0.80927E-04 -0.94108E-05 3659 0.272E-02 0.777E-02 RMM: 7 -0.366701687668E+03 -0.87039E-04 -0.11243E-04 3888 0.268E-02 0.136E-01 RMM: 8 -0.366701593224E+03 0.94444E-04 -0.95436E-05 3860 0.248E-02 0.535E-02 RMM: 9 -0.366701580451E+03 0.12773E-04 -0.22800E-05 2642 0.141E-02 6723 T= 6298. E= 0.68562641E+03 F= 0.63352599E+03 E0= 0.66387847E+03 EK= 0.52100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367102640407E+03 -0.40105E+00 -0.63691E-01 8964 0.229E+01 0.302E-01 RMM: 2 -0.367139062695E+03 -0.36422E-01 -0.24212E-01 6649 0.929E-01 0.148E+00 RMM: 3 -0.367123160628E+03 0.15902E-01 -0.99853E-03 5352 0.227E-01 0.256E-01 RMM: 4 -0.367123063059E+03 0.97569E-04 -0.14770E-03 4717 0.804E-02 0.232E-01 RMM: 5 -0.367122815533E+03 0.24753E-03 -0.26185E-04 3940 0.389E-02 0.143E-01 RMM: 6 -0.367122711150E+03 0.10438E-03 -0.95463E-05 3669 0.273E-02 0.763E-02 RMM: 7 -0.367122808494E+03 -0.97344E-04 -0.12704E-04 3888 0.286E-02 0.139E-01 RMM: 8 -0.367122704793E+03 0.10370E-03 -0.89507E-05 3779 0.256E-02 0.503E-02 RMM: 9 -0.367122693182E+03 0.11610E-04 -0.18261E-05 2551 0.126E-02 6724 T= 5925. E= 0.68224159E+03 F= 0.63322409E+03 E0= 0.66356811E+03 EK= 0.49018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367425129234E+03 -0.30242E+00 -0.65849E-01 8952 0.223E+01 0.247E-01 RMM: 2 -0.367451792136E+03 -0.26663E-01 -0.22357E-01 6887 0.878E-01 0.959E-01 RMM: 3 -0.367444564288E+03 0.72278E-02 -0.70753E-03 5371 0.188E-01 0.201E-01 RMM: 4 -0.367444578993E+03 -0.14705E-04 -0.99044E-04 4681 0.667E-02 0.212E-01 RMM: 5 -0.367444341375E+03 0.23762E-03 -0.20914E-04 3895 0.350E-02 0.115E-01 RMM: 6 -0.367444296603E+03 0.44772E-04 -0.91015E-05 3707 0.264E-02 0.831E-02 RMM: 7 -0.367444387957E+03 -0.91354E-04 -0.11370E-04 3888 0.272E-02 0.138E-01 RMM: 8 -0.367444276928E+03 0.11103E-03 -0.69011E-05 3520 0.232E-02 0.422E-02 RMM: 9 -0.367444270296E+03 0.66327E-05 -0.15829E-05 2507 0.117E-02 6725 T= 5704. E= 0.68020786E+03 F= 0.63302101E+03 E0= 0.66334769E+03 EK= 0.47187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367666115074E+03 -0.22184E+00 -0.66758E-01 8904 0.220E+01 0.245E-01 RMM: 2 -0.367694099814E+03 -0.27985E-01 -0.21431E-01 6814 0.848E-01 0.110E+00 RMM: 3 -0.367684575556E+03 0.95243E-02 -0.72596E-03 5380 0.189E-01 0.188E-01 RMM: 4 -0.367684625255E+03 -0.49700E-04 -0.98137E-04 4717 0.655E-02 0.217E-01 RMM: 5 -0.367684387754E+03 0.23750E-03 -0.21044E-04 3896 0.358E-02 0.119E-01 RMM: 6 -0.367684328933E+03 0.58821E-04 -0.87319E-05 3641 0.257E-02 0.772E-02 RMM: 7 -0.367684395534E+03 -0.66602E-04 -0.11670E-04 3882 0.275E-02 0.119E-01 RMM: 8 -0.367684307886E+03 0.87649E-04 -0.58201E-05 3352 0.221E-02 0.277E-02 RMM: 9 -0.367684309682E+03 -0.17964E-05 -0.13115E-05 2487 0.106E-02 6726 T= 5687. E= 0.67994274E+03 F= 0.63289675E+03 E0= 0.66319883E+03 EK= 0.47046E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367826890182E+03 -0.14258E+00 -0.66271E-01 8868 0.221E+01 0.240E-01 RMM: 2 -0.367852516811E+03 -0.25627E-01 -0.21043E-01 6814 0.835E-01 0.957E-01 RMM: 3 -0.367845094418E+03 0.74224E-02 -0.68231E-03 5386 0.180E-01 0.203E-01 RMM: 4 -0.367845070857E+03 0.23561E-04 -0.96250E-04 4675 0.662E-02 0.201E-01 RMM: 5 -0.367844851557E+03 0.21930E-03 -0.20366E-04 3893 0.338E-02 0.109E-01 RMM: 6 -0.367844812213E+03 0.39344E-04 -0.82640E-05 3628 0.250E-02 0.799E-02 RMM: 7 -0.367844894578E+03 -0.82364E-04 -0.10056E-04 3869 0.251E-02 0.133E-01 RMM: 8 -0.367844786884E+03 0.10769E-03 -0.59730E-05 3385 0.219E-02 0.338E-02 RMM: 9 -0.367844783946E+03 0.29374E-05 -0.12480E-05 2482 0.103E-02 6727 T= 5877. E= 0.68146985E+03 F= 0.63284717E+03 E0= 0.66311835E+03 EK= 0.48623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367877664386E+03 -0.32878E-01 -0.65014E-01 8880 0.226E+01 0.251E-01 RMM: 2 -0.367904356473E+03 -0.26692E-01 -0.21913E-01 6620 0.858E-01 0.967E-01 RMM: 3 -0.367896550754E+03 0.78057E-02 -0.80208E-03 5393 0.192E-01 0.201E-01 RMM: 4 -0.367896559574E+03 -0.88199E-05 -0.10217E-03 4687 0.670E-02 0.217E-01 RMM: 5 -0.367896315406E+03 0.24417E-03 -0.22247E-04 3913 0.359E-02 0.125E-01 RMM: 6 -0.367896242384E+03 0.73022E-04 -0.83948E-05 3605 0.253E-02 0.728E-02 RMM: 7 -0.367896326543E+03 -0.84159E-04 -0.11707E-04 3879 0.276E-02 0.132E-01 RMM: 8 -0.367896223384E+03 0.10316E-03 -0.72293E-05 3551 0.234E-02 0.362E-02 RMM: 9 -0.367896219757E+03 0.36263E-05 -0.15668E-05 2513 0.115E-02 6728 T= 6229. E= 0.68443068E+03 F= 0.63290026E+03 E0= 0.66313627E+03 EK= 0.51530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367752449635E+03 0.14377E+00 -0.63370E-01 8952 0.232E+01 0.271E-01 RMM: 2 -0.367782336433E+03 -0.29887E-01 -0.23720E-01 6267 0.910E-01 0.107E+00 RMM: 3 -0.367772540174E+03 0.97963E-02 -0.10276E-02 5431 0.213E-01 0.221E-01 RMM: 4 -0.367772513761E+03 0.26413E-04 -0.12737E-03 4718 0.761E-02 0.229E-01 RMM: 5 -0.367772203632E+03 0.31013E-03 -0.25917E-04 3929 0.375E-02 0.111E-01 RMM: 6 -0.367772160127E+03 0.43505E-04 -0.85087E-05 3623 0.252E-02 0.803E-02 RMM: 7 -0.367772229490E+03 -0.69362E-04 -0.11109E-04 3883 0.264E-02 0.129E-01 RMM: 8 -0.367772134727E+03 0.94763E-04 -0.76766E-05 3602 0.237E-02 0.425E-02 RMM: 9 -0.367772128240E+03 0.64864E-05 -0.15978E-05 2530 0.117E-02 6729 T= 6635. E= 0.68801468E+03 F= 0.63312206E+03 E0= 0.66331959E+03 EK= 0.54893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367350961134E+03 0.42117E+00 -0.61035E-01 8928 0.239E+01 0.276E-01 RMM: 2 -0.367380385603E+03 -0.29424E-01 -0.24607E-01 6167 0.936E-01 0.996E-01 RMM: 3 -0.367371578565E+03 0.88070E-02 -0.10858E-02 5430 0.217E-01 0.195E-01 RMM: 4 -0.367371704725E+03 -0.12616E-03 -0.12660E-03 4725 0.753E-02 0.255E-01 RMM: 5 -0.367371287864E+03 0.41686E-03 -0.27654E-04 3917 0.396E-02 0.104E-01 RMM: 6 -0.367371257446E+03 0.30418E-04 -0.89918E-05 3653 0.255E-02 0.827E-02 RMM: 7 -0.367371320223E+03 -0.62777E-04 -0.10776E-04 3878 0.262E-02 0.127E-01 RMM: 8 -0.367371224788E+03 0.95435E-04 -0.67568E-05 3489 0.224E-02 0.344E-02 RMM: 9 -0.367371229391E+03 -0.46035E-05 -0.19388E-05 2562 0.129E-02 6730 T= 6941. E= 0.69103379E+03 F= 0.63361452E+03 E0= 0.66377243E+03 EK= 0.57419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366560087678E+03 0.81114E+00 -0.57845E-01 8892 0.243E+01 0.297E-01 RMM: 2 -0.366594099126E+03 -0.34011E-01 -0.25180E-01 6005 0.954E-01 0.127E+00 RMM: 3 -0.366580721103E+03 0.13378E-01 -0.11937E-02 5431 0.230E-01 0.222E-01 RMM: 4 -0.366580742013E+03 -0.20910E-04 -0.15415E-03 4755 0.839E-02 0.251E-01 RMM: 5 -0.366580399393E+03 0.34262E-03 -0.29476E-04 3914 0.401E-02 0.135E-01 RMM: 6 -0.366580308356E+03 0.91038E-04 -0.10632E-04 3792 0.279E-02 0.726E-02 RMM: 7 -0.366580387989E+03 -0.79633E-04 -0.11554E-04 3884 0.271E-02 0.129E-01 RMM: 8 -0.366580290082E+03 0.97907E-04 -0.73625E-05 3577 0.235E-02 0.376E-02 RMM: 9 -0.366580292247E+03 -0.21650E-05 -0.19114E-05 2554 0.128E-02 6731 T= 7001. E= 0.69240889E+03 F= 0.63449229E+03 E0= 0.66461055E+03 EK= 0.57917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365311863630E+03 0.12684E+01 -0.55097E-01 8904 0.242E+01 0.270E-01 RMM: 2 -0.365340198940E+03 -0.28335E-01 -0.24376E-01 5923 0.956E-01 0.943E-01 RMM: 3 -0.365332060392E+03 0.81385E-02 -0.11674E-02 5499 0.224E-01 0.191E-01 RMM: 4 -0.365332127050E+03 -0.66658E-04 -0.12697E-03 4772 0.743E-02 0.243E-01 RMM: 5 -0.365331801115E+03 0.32593E-03 -0.26157E-04 3912 0.390E-02 0.126E-01 RMM: 6 -0.365331729083E+03 0.72032E-04 -0.11652E-04 3852 0.294E-02 0.741E-02 RMM: 7 -0.365331820662E+03 -0.91580E-04 -0.11550E-04 3884 0.274E-02 0.134E-01 RMM: 8 -0.365331716348E+03 0.10431E-03 -0.62613E-05 3433 0.222E-02 0.411E-02 RMM: 9 -0.365331711806E+03 0.45419E-05 -0.18470E-05 2530 0.125E-02 6732 T= 6776. E= 0.69188078E+03 F= 0.63582454E+03 E0= 0.66590591E+03 EK= 0.56056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363659362917E+03 0.16724E+01 -0.53728E-01 8976 0.238E+01 0.285E-01 RMM: 2 -0.363692338892E+03 -0.32976E-01 -0.23376E-01 5805 0.956E-01 0.131E+00 RMM: 3 -0.363678675815E+03 0.13663E-01 -0.12780E-02 5470 0.235E-01 0.224E-01 RMM: 4 -0.363678491784E+03 0.18403E-03 -0.13742E-03 4751 0.779E-02 0.196E-01 RMM: 5 -0.363678340774E+03 0.15101E-03 -0.27061E-04 3920 0.405E-02 0.140E-01 RMM: 6 -0.363678248947E+03 0.91827E-04 -0.12119E-04 3873 0.295E-02 0.847E-02 RMM: 7 -0.363678345053E+03 -0.96106E-04 -0.14575E-04 3891 0.310E-02 0.142E-01 RMM: 8 -0.363678226582E+03 0.11847E-03 -0.85891E-05 3675 0.262E-02 0.391E-02 RMM: 9 -0.363678226302E+03 0.28031E-06 -0.18313E-05 2545 0.124E-02 6733 T= 6367. E= 0.69023082E+03 F= 0.63755968E+03 E0= 0.66760747E+03 EK= 0.52671E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361813221096E+03 0.18650E+01 -0.53411E-01 9012 0.230E+01 0.311E-01 RMM: 2 -0.361847214527E+03 -0.33993E-01 -0.23870E-01 5689 0.100E+00 0.138E+00 RMM: 3 -0.361833021341E+03 0.14193E-01 -0.15292E-02 5477 0.255E-01 0.295E-01 RMM: 4 -0.361832485461E+03 0.53588E-03 -0.15592E-03 4730 0.821E-02 0.174E-01 RMM: 5 -0.361832365060E+03 0.12040E-03 -0.30476E-04 3963 0.446E-02 0.139E-01 RMM: 6 -0.361832283284E+03 0.81776E-04 -0.14070E-04 3880 0.318E-02 0.968E-02 RMM: 7 -0.361832395264E+03 -0.11198E-03 -0.15368E-04 3888 0.326E-02 0.159E-01 RMM: 8 -0.361832244479E+03 0.15079E-03 -0.85227E-05 3686 0.253E-02 0.460E-02 RMM: 9 -0.361832254802E+03 -0.10322E-04 -0.35116E-05 2924 0.166E-02 6734 T= 5952. E= 0.68872417E+03 F= 0.63948567E+03 E0= 0.66950356E+03 EK= 0.49239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360103211023E+03 0.17290E+01 -0.47714E-01 9024 0.222E+01 0.345E-01 RMM: 2 -0.360141180611E+03 -0.37970E-01 -0.24832E-01 5495 0.106E+00 0.152E+00 RMM: 3 -0.360123891366E+03 0.17289E-01 -0.18535E-02 5454 0.287E-01 0.369E-01 RMM: 4 -0.360123003931E+03 0.88744E-03 -0.20415E-03 4844 0.942E-02 0.171E-01 RMM: 5 -0.360122869459E+03 0.13447E-03 -0.34170E-04 4036 0.455E-02 0.138E-01 RMM: 6 -0.360122788308E+03 0.81151E-04 -0.11021E-04 3859 0.280E-02 0.960E-02 RMM: 7 -0.360122875952E+03 -0.87644E-04 -0.15766E-04 3887 0.320E-02 0.153E-01 RMM: 8 -0.360122736893E+03 0.13906E-03 -0.11329E-04 3880 0.284E-02 0.467E-02 RMM: 9 -0.360122757650E+03 -0.20757E-04 -0.39618E-05 3022 0.174E-02 0.705E-02 RMM: 10 -0.360122743461E+03 0.14189E-04 -0.23028E-05 2567 0.152E-02 6735 T= 5697. E= 0.68840198E+03 F= 0.64127300E+03 E0= 0.67126415E+03 EK= 0.47129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358864281833E+03 0.12585E+01 -0.34762E-01 8952 0.217E+01 0.324E-01 RMM: 2 -0.358897490330E+03 -0.33208E-01 -0.20919E-01 5389 0.978E-01 0.144E+00 RMM: 3 -0.358881764244E+03 0.15726E-01 -0.16204E-02 5379 0.276E-01 0.365E-01 RMM: 4 -0.358880935403E+03 0.82884E-03 -0.19183E-03 4835 0.899E-02 0.153E-01 RMM: 5 -0.358880826922E+03 0.10848E-03 -0.28717E-04 3962 0.414E-02 0.122E-01 RMM: 6 -0.358880750067E+03 0.76855E-04 -0.81407E-05 3667 0.244E-02 0.797E-02 RMM: 7 -0.358880802409E+03 -0.52342E-04 -0.11883E-04 3883 0.281E-02 0.125E-01 RMM: 8 -0.358880708977E+03 0.93432E-04 -0.85935E-05 3736 0.243E-02 0.426E-02 RMM: 9 -0.358880718781E+03 -0.98034E-05 -0.29215E-05 2647 0.152E-02 6736 T= 5706. E= 0.68979751E+03 F= 0.64258953E+03 E0= 0.67255814E+03 EK= 0.47208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358295632805E+03 0.58508E+00 -0.24720E-01 8928 0.220E+01 0.244E-01 RMM: 2 -0.358318869771E+03 -0.23237E-01 -0.16476E-01 5436 0.837E-01 0.110E+00 RMM: 3 -0.358309203746E+03 0.96660E-02 -0.11335E-02 5427 0.224E-01 0.206E-01 RMM: 4 -0.358308981227E+03 0.22252E-03 -0.11286E-03 4802 0.684E-02 0.145E-01 RMM: 5 -0.358308871829E+03 0.10940E-03 -0.17091E-04 3923 0.308E-02 0.103E-01 RMM: 6 -0.358308819250E+03 0.52579E-04 -0.60937E-05 3348 0.220E-02 0.614E-02 RMM: 7 -0.358308879116E+03 -0.59865E-04 -0.71754E-05 3609 0.211E-02 0.119E-01 RMM: 8 -0.358308797679E+03 0.81437E-04 -0.70969E-05 3695 0.214E-02 0.417E-02 RMM: 9 -0.358308790544E+03 0.71350E-05 -0.16918E-05 2506 0.119E-02 6737 T= 6010. E= 0.69295117E+03 F= 0.64323154E+03 E0= 0.67318078E+03 EK= 0.49720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358399346172E+03 -0.90548E-01 -0.24931E-01 9048 0.229E+01 0.276E-01 RMM: 2 -0.358427277506E+03 -0.27931E-01 -0.18036E-01 5320 0.898E-01 0.133E+00 RMM: 3 -0.358414293709E+03 0.12984E-01 -0.13811E-02 5423 0.249E-01 0.269E-01 RMM: 4 -0.358413875524E+03 0.41818E-03 -0.15271E-03 4718 0.844E-02 0.166E-01 RMM: 5 -0.358413749428E+03 0.12610E-03 -0.26586E-04 3959 0.395E-02 0.120E-01 RMM: 6 -0.358413662001E+03 0.87427E-04 -0.64632E-05 3404 0.226E-02 0.603E-02 RMM: 7 -0.358413675326E+03 -0.13325E-04 -0.47981E-05 3123 0.192E-02 6738 T= 6543. E= 0.69732253E+03 F= 0.64319171E+03 E0= 0.67312649E+03 EK= 0.54131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359024745824E+03 -0.61108E+00 -0.31220E-01 9180 0.241E+01 0.383E-01 RMM: 2 -0.359064385805E+03 -0.39640E-01 -0.22424E-01 5415 0.104E+00 0.177E+00 RMM: 3 -0.359042980349E+03 0.21405E-01 -0.20163E-02 5395 0.313E-01 0.389E-01 RMM: 4 -0.359042087787E+03 0.89256E-03 -0.24305E-03 4843 0.103E-01 0.194E-01 RMM: 5 -0.359041904929E+03 0.18286E-03 -0.36751E-04 4007 0.450E-02 0.151E-01 RMM: 6 -0.359041792720E+03 0.11221E-03 -0.10061E-04 3760 0.276E-02 0.787E-02 RMM: 7 -0.359041831737E+03 -0.39017E-04 -0.91634E-05 3731 0.243E-02 0.119E-01 RMM: 8 -0.359041756092E+03 0.75645E-04 -0.11801E-04 3889 0.272E-02 0.549E-02 RMM: 9 -0.359041764198E+03 -0.81057E-05 -0.41437E-05 3090 0.180E-02 6739 T= 7123. E= 0.70155344E+03 F= 0.64262392E+03 E0= 0.67255152E+03 EK= 0.58930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359971648022E+03 -0.92989E+00 -0.39807E-01 9096 0.251E+01 0.420E-01 RMM: 2 -0.360018165384E+03 -0.46517E-01 -0.27170E-01 5392 0.114E+00 0.188E+00 RMM: 3 -0.359993775549E+03 0.24390E-01 -0.24844E-02 5412 0.340E-01 0.416E-01 RMM: 4 -0.359992975043E+03 0.80051E-03 -0.30476E-03 5166 0.117E-01 0.284E-01 RMM: 5 -0.359992565489E+03 0.40955E-03 -0.57991E-04 4540 0.589E-02 0.178E-01 RMM: 6 -0.359992363895E+03 0.20159E-03 -0.15514E-04 3880 0.315E-02 0.815E-02 RMM: 7 -0.359992375726E+03 -0.11831E-04 -0.70118E-05 3541 0.213E-02 6740 T= 7485. E= 0.70364753E+03 F= 0.64172996E+03 E0= 0.67165740E+03 EK= 0.61918E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361097689868E+03 -0.11053E+01 -0.42636E-01 8928 0.253E+01 0.320E-01 RMM: 2 -0.361131477658E+03 -0.33788E-01 -0.23884E-01 5794 0.100E+00 0.137E+00 RMM: 3 -0.361117684765E+03 0.13793E-01 -0.15228E-02 5386 0.266E-01 0.316E-01 RMM: 4 -0.361117145675E+03 0.53909E-03 -0.16221E-03 4766 0.809E-02 0.176E-01 RMM: 5 -0.361116990170E+03 0.15550E-03 -0.22477E-04 3944 0.357E-02 0.130E-01 RMM: 6 -0.361116976404E+03 0.13766E-04 -0.10317E-04 3739 0.271E-02 6741 T= 7430. E= 0.70212443E+03 F= 0.64065987E+03 E0= 0.67059806E+03 EK= 0.61465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362328097593E+03 -0.12111E+01 -0.43352E-01 8700 0.248E+01 0.583E-01 RMM: 2 -0.362434798324E+03 -0.10670E+00 -0.25112E-01 5264 0.106E+00 0.358E+00 RMM: 3 -0.362347392082E+03 0.87406E-01 -0.37764E-02 5319 0.475E-01 0.685E-01 RMM: 4 -0.362344240620E+03 0.31515E-02 -0.51635E-03 5345 0.150E-01 0.173E-01 RMM: 5 -0.362344308342E+03 -0.67722E-04 -0.66771E-04 4381 0.547E-02 0.209E-01 RMM: 6 -0.362344079748E+03 0.22859E-03 -0.17287E-04 3894 0.329E-02 0.104E-01 RMM: 7 -0.362344082725E+03 -0.29764E-05 -0.97307E-05 3734 0.257E-02 6742 T= 6987. E= 0.69728847E+03 F= 0.63948661E+03 E0= 0.66944603E+03 EK= 0.57802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363633356448E+03 -0.12893E+01 -0.40956E-01 8712 0.237E+01 0.638E-01 RMM: 2 -0.363758346544E+03 -0.12499E+00 -0.24201E-01 5298 0.105E+00 0.403E+00 RMM: 3 -0.363650999564E+03 0.10735E+00 -0.42621E-02 5206 0.511E-01 0.686E-01 RMM: 4 -0.363647662675E+03 0.33369E-02 -0.52824E-03 5327 0.152E-01 0.199E-01 RMM: 5 -0.363647716958E+03 -0.54283E-04 -0.79277E-04 4588 0.625E-02 0.214E-01 RMM: 6 -0.363647485300E+03 0.23166E-03 -0.20004E-04 3894 0.344E-02 0.107E-01 RMM: 7 -0.363647459033E+03 0.26267E-04 -0.84455E-05 3644 0.247E-02 0.825E-02 RMM: 8 -0.363647542778E+03 -0.83745E-04 -0.11022E-04 3883 0.263E-02 0.124E-01 RMM: 9 -0.363647451226E+03 0.91552E-04 -0.49000E-05 3250 0.205E-02 0.302E-02 RMM: 10 -0.363647450907E+03 0.31944E-06 -0.11886E-05 2481 0.978E-03 6743 T= 6377. E= 0.69099281E+03 F= 0.63823733E+03 E0= 0.66822476E+03 EK= 0.52755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364998382596E+03 -0.13509E+01 -0.36932E-01 8748 0.226E+01 0.438E-01 RMM: 2 -0.365058712049E+03 -0.60329E-01 -0.21749E-01 5221 0.970E-01 0.253E+00 RMM: 3 -0.365014910070E+03 0.43802E-01 -0.24150E-02 5352 0.365E-01 0.383E-01 RMM: 4 -0.365013978834E+03 0.93124E-03 -0.26818E-03 5119 0.999E-02 0.152E-01 RMM: 5 -0.365013947187E+03 0.31646E-04 -0.37665E-04 4005 0.457E-02 0.162E-01 RMM: 6 -0.365013789477E+03 0.15771E-03 -0.14266E-04 3876 0.329E-02 0.649E-02 RMM: 7 -0.365013805971E+03 -0.16494E-04 -0.55858E-05 3301 0.203E-02 6744 T= 5839. E= 0.68523272E+03 F= 0.63692527E+03 E0= 0.66694554E+03 EK= 0.48307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366416719983E+03 -0.14029E+01 -0.32121E-01 8808 0.218E+01 0.343E-01 RMM: 2 -0.366450618435E+03 -0.33898E-01 -0.17554E-01 5606 0.837E-01 0.170E+00 RMM: 3 -0.366430243410E+03 0.20375E-01 -0.14308E-02 5370 0.268E-01 0.346E-01 RMM: 4 -0.366429432434E+03 0.81098E-03 -0.16333E-03 4716 0.810E-02 0.124E-01 RMM: 5 -0.366429467411E+03 -0.34976E-04 -0.27931E-04 3915 0.418E-02 0.150E-01 RMM: 6 -0.366429345244E+03 0.12217E-03 -0.10177E-04 3728 0.274E-02 0.685E-02 RMM: 7 -0.366429398718E+03 -0.53474E-04 -0.75111E-05 3552 0.232E-02 0.111E-01 RMM: 8 -0.366429374111E+03 0.24608E-04 -0.72036E-05 3707 0.230E-02 0.859E-02 RMM: 9 -0.366429327998E+03 0.46113E-04 -0.27042E-05 2814 0.159E-02 0.156E-02 RMM: 10 -0.366429335039E+03 -0.70416E-05 -0.92144E-06 2453 0.893E-03 6745 T= 5521. E= 0.68123816E+03 F= 0.63556329E+03 E0= 0.66561959E+03 EK= 0.45675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367860719939E+03 -0.14314E+01 -0.32104E-01 8988 0.215E+01 0.247E-01 RMM: 2 -0.367886583651E+03 -0.25864E-01 -0.17958E-01 5449 0.826E-01 0.120E+00 RMM: 3 -0.367875104814E+03 0.11479E-01 -0.11054E-02 5370 0.234E-01 0.172E-01 RMM: 4 -0.367875147626E+03 -0.42812E-04 -0.11986E-03 4810 0.691E-02 0.195E-01 RMM: 5 -0.367874912496E+03 0.23513E-03 -0.17989E-04 3939 0.308E-02 0.976E-02 RMM: 6 -0.367874860567E+03 0.51930E-04 -0.60239E-05 3339 0.218E-02 0.439E-02 RMM: 7 -0.367874893661E+03 -0.33095E-04 -0.43405E-05 2970 0.183E-02 0.897E-02 RMM: 8 -0.367874845618E+03 0.48043E-04 -0.34681E-05 2627 0.174E-02 0.219E-02 RMM: 9 -0.367874846371E+03 -0.75275E-06 -0.11193E-05 2448 0.957E-03 6746 T= 5477. E= 0.67948115E+03 F= 0.63416900E+03 E0= 0.66426160E+03 EK= 0.45312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369304579257E+03 -0.14297E+01 -0.32295E-01 8892 0.217E+01 0.231E-01 RMM: 2 -0.369325671965E+03 -0.21093E-01 -0.16908E-01 5815 0.764E-01 0.943E-01 RMM: 3 -0.369317816298E+03 0.78557E-02 -0.81620E-03 5515 0.187E-01 0.208E-01 RMM: 4 -0.369317619168E+03 0.19713E-03 -0.92119E-04 4734 0.626E-02 0.152E-01 RMM: 5 -0.369317505093E+03 0.11407E-03 -0.15745E-04 3891 0.300E-02 0.101E-01 RMM: 6 -0.369317451465E+03 0.53628E-04 -0.48078E-05 3209 0.202E-02 0.538E-02 RMM: 7 -0.369317487505E+03 -0.36040E-04 -0.58783E-05 3396 0.197E-02 0.960E-02 RMM: 8 -0.369317433660E+03 0.53845E-04 -0.48341E-05 3114 0.194E-02 0.349E-02 RMM: 9 -0.369317431097E+03 0.25638E-05 -0.16652E-05 2485 0.117E-02 6747 T= 5703. E= 0.67995537E+03 F= 0.63277374E+03 E0= 0.66290119E+03 EK= 0.47182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370682879849E+03 -0.13654E+01 -0.38955E-01 8868 0.224E+01 0.241E-01 RMM: 2 -0.370709142445E+03 -0.26263E-01 -0.19788E-01 5773 0.831E-01 0.112E+00 RMM: 3 -0.370698675715E+03 0.10467E-01 -0.97509E-03 5397 0.208E-01 0.193E-01 RMM: 4 -0.370698615561E+03 0.60154E-04 -0.11858E-03 4718 0.717E-02 0.187E-01 RMM: 5 -0.370698398360E+03 0.21720E-03 -0.20427E-04 3905 0.341E-02 0.960E-02 RMM: 6 -0.370698349135E+03 0.49225E-04 -0.54260E-05 3279 0.208E-02 0.548E-02 RMM: 7 -0.370698364605E+03 -0.15469E-04 -0.42996E-05 3005 0.181E-02 6748 T= 6143. E= 0.68225621E+03 F= 0.63143519E+03 E0= 0.66159350E+03 EK= 0.50821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371914888281E+03 -0.12165E+01 -0.48787E-01 8856 0.232E+01 0.233E-01 RMM: 2 -0.371941970439E+03 -0.27082E-01 -0.22744E-01 6001 0.877E-01 0.952E-01 RMM: 3 -0.371933351478E+03 0.86190E-02 -0.94805E-03 5406 0.202E-01 0.230E-01 RMM: 4 -0.371933140273E+03 0.21121E-03 -0.12023E-03 4767 0.705E-02 0.172E-01 RMM: 5 -0.371932946857E+03 0.19342E-03 -0.20735E-04 3895 0.348E-02 0.904E-02 RMM: 6 -0.371932925655E+03 0.21202E-04 -0.50019E-05 3213 0.197E-02 0.761E-02 RMM: 7 -0.371932931212E+03 -0.55567E-05 -0.96003E-05 3850 0.240E-02 6749 T= 6672. E= 0.68543474E+03 F= 0.63023777E+03 E0= 0.66041988E+03 EK= 0.55197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372901808717E+03 -0.96888E+00 -0.63833E-01 8940 0.240E+01 0.244E-01 RMM: 2 -0.372932638798E+03 -0.30830E-01 -0.26899E-01 6106 0.956E-01 0.925E-01 RMM: 3 -0.372924063691E+03 0.85751E-02 -0.10723E-02 5416 0.213E-01 0.216E-01 RMM: 4 -0.372924054818E+03 0.88732E-05 -0.13536E-03 4753 0.763E-02 0.229E-01 RMM: 5 -0.372923710034E+03 0.34478E-03 -0.27213E-04 3891 0.400E-02 0.976E-02 RMM: 6 -0.372923671633E+03 0.38402E-04 -0.72693E-05 3502 0.232E-02 0.667E-02 RMM: 7 -0.372923677942E+03 -0.63093E-05 -0.51138E-05 3080 0.183E-02 6750 T= 7095. E= 0.68797800E+03 F= 0.62927928E+03 E0= 0.65947572E+03 EK= 0.58699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373567071688E+03 -0.64340E+00 -0.79717E-01 8808 0.245E+01 0.230E-01 RMM: 2 -0.373599754821E+03 -0.32683E-01 -0.29311E-01 6375 0.999E-01 0.854E-01 RMM: 3 -0.373592258435E+03 0.74964E-02 -0.10887E-02 5477 0.207E-01 0.202E-01 RMM: 4 -0.373592156455E+03 0.10198E-03 -0.12179E-03 4796 0.693E-02 0.202E-01 RMM: 5 -0.373591894717E+03 0.26174E-03 -0.23135E-04 3893 0.369E-02 0.920E-02 RMM: 6 -0.373591886945E+03 0.77717E-05 -0.80502E-05 3563 0.239E-02 6751 T= 7222. E= 0.68838195E+03 F= 0.62863911E+03 E0= 0.65883697E+03 EK= 0.59743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373887263360E+03 -0.29537E+00 -0.90827E-01 8712 0.244E+01 0.306E-01 RMM: 2 -0.373936507354E+03 -0.49244E-01 -0.30341E-01 6533 0.101E+00 0.175E+00 RMM: 3 -0.373913306227E+03 0.23201E-01 -0.15136E-02 5364 0.278E-01 0.261E-01 RMM: 4 -0.373913024066E+03 0.28216E-03 -0.18227E-03 4867 0.812E-02 0.175E-01 RMM: 5 -0.373912863895E+03 0.16017E-03 -0.24840E-04 3938 0.373E-02 0.109E-01 RMM: 6 -0.373912818389E+03 0.45506E-04 -0.90534E-05 3637 0.261E-02 0.750E-02 RMM: 7 -0.373912899863E+03 -0.81474E-04 -0.87916E-05 3814 0.245E-02 0.131E-01 RMM: 8 -0.373912796626E+03 0.10324E-03 -0.56552E-05 3322 0.206E-02 0.391E-02 RMM: 9 -0.373912796569E+03 0.57169E-07 -0.20954E-05 2548 0.132E-02 6752 T= 6990. E= 0.68616594E+03 F= 0.62834255E+03 E0= 0.65852998E+03 EK= 0.57823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373898177541E+03 0.14619E-01 -0.91979E-01 8796 0.237E+01 0.384E-01 RMM: 2 -0.373956683137E+03 -0.58506E-01 -0.30638E-01 6109 0.102E+00 0.215E+00 RMM: 3 -0.373923272057E+03 0.33411E-01 -0.17969E-02 5351 0.302E-01 0.312E-01 RMM: 4 -0.373922815412E+03 0.45665E-03 -0.26446E-03 5055 0.103E-01 0.203E-01 RMM: 5 -0.373922719218E+03 0.96193E-04 -0.36476E-04 3977 0.433E-02 0.169E-01 RMM: 6 -0.373922545413E+03 0.17381E-03 -0.11012E-04 3778 0.288E-02 0.495E-02 RMM: 7 -0.373922588721E+03 -0.43308E-04 -0.58053E-05 3320 0.200E-02 0.930E-02 RMM: 8 -0.373922549476E+03 0.39244E-04 -0.39836E-05 2978 0.196E-02 0.399E-02 RMM: 9 -0.373922542914E+03 0.65625E-05 -0.12611E-05 2472 0.103E-02 6753 T= 6517. E= 0.68226300E+03 F= 0.62835367E+03 E0= 0.65852050E+03 EK= 0.53909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373670419902E+03 0.25213E+00 -0.83661E-01 8784 0.229E+01 0.222E-01 RMM: 2 -0.373701500155E+03 -0.31080E-01 -0.26137E-01 6681 0.925E-01 0.952E-01 RMM: 3 -0.373693209050E+03 0.82911E-02 -0.91277E-03 5428 0.206E-01 0.184E-01 RMM: 4 -0.373693193202E+03 0.15848E-04 -0.12637E-03 4745 0.663E-02 0.179E-01 RMM: 5 -0.373693005947E+03 0.18726E-03 -0.18606E-04 3899 0.335E-02 0.915E-02 RMM: 6 -0.373692970114E+03 0.35833E-04 -0.48536E-05 3170 0.200E-02 0.580E-02 RMM: 7 -0.373693011454E+03 -0.41340E-04 -0.60899E-05 3469 0.211E-02 0.972E-02 RMM: 8 -0.373692952600E+03 0.58854E-04 -0.34941E-05 2945 0.179E-02 0.245E-02 RMM: 9 -0.373692956378E+03 -0.37778E-05 -0.13677E-05 2472 0.103E-02 6754 T= 6006. E= 0.67828770E+03 F= 0.62860030E+03 E0= 0.65874061E+03 EK= 0.49687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373279753605E+03 0.41320E+00 -0.69446E-01 8808 0.222E+01 0.221E-01 RMM: 2 -0.373307629721E+03 -0.27876E-01 -0.23910E-01 6457 0.887E-01 0.882E-01 RMM: 3 -0.373300088519E+03 0.75412E-02 -0.91374E-03 5452 0.196E-01 0.163E-01 RMM: 4 -0.373300117849E+03 -0.29330E-04 -0.11876E-03 4734 0.644E-02 0.190E-01 RMM: 5 -0.373299899988E+03 0.21786E-03 -0.18815E-04 3894 0.341E-02 0.840E-02 RMM: 6 -0.373299871763E+03 0.28225E-04 -0.50612E-05 3215 0.202E-02 0.561E-02 RMM: 7 -0.373299903949E+03 -0.32186E-04 -0.45892E-05 3141 0.187E-02 0.889E-02 RMM: 8 -0.373299857483E+03 0.46465E-04 -0.31184E-05 2815 0.174E-02 0.208E-02 RMM: 9 -0.373299862906E+03 -0.54224E-05 -0.11600E-05 2461 0.955E-03 6755 T= 5630. E= 0.67558227E+03 F= 0.62900596E+03 E0= 0.65911767E+03 EK= 0.46576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372778288633E+03 0.52157E+00 -0.55826E-01 8904 0.219E+01 0.197E-01 RMM: 2 -0.372801051383E+03 -0.22763E-01 -0.20281E-01 6471 0.812E-01 0.731E-01 RMM: 3 -0.372795499377E+03 0.55520E-02 -0.70828E-03 5454 0.172E-01 0.144E-01 RMM: 4 -0.372795536246E+03 -0.36869E-04 -0.94925E-04 4702 0.585E-02 0.175E-01 RMM: 5 -0.372795354269E+03 0.18198E-03 -0.16305E-04 3896 0.311E-02 0.790E-02 RMM: 6 -0.372795331250E+03 0.23019E-04 -0.43362E-05 3126 0.189E-02 0.549E-02 RMM: 7 -0.372795361782E+03 -0.30532E-04 -0.42831E-05 3025 0.186E-02 0.847E-02 RMM: 8 -0.372795318633E+03 0.43149E-04 -0.26992E-05 2652 0.161E-02 0.213E-02 RMM: 9 -0.372795323614E+03 -0.49810E-05 -0.11693E-05 2457 0.941E-03 6756 T= 5483. E= 0.67487662E+03 F= 0.62951792E+03 E0= 0.65960113E+03 EK= 0.45359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372185196406E+03 0.61012E+00 -0.45357E-01 8844 0.219E+01 0.194E-01 RMM: 2 -0.372205905343E+03 -0.20709E-01 -0.17587E-01 6420 0.753E-01 0.794E-01 RMM: 3 -0.372199836088E+03 0.60693E-02 -0.61088E-03 5420 0.164E-01 0.147E-01 RMM: 4 -0.372199861790E+03 -0.25702E-04 -0.84448E-04 4627 0.547E-02 0.159E-01 RMM: 5 -0.372199706692E+03 0.15510E-03 -0.12618E-04 3882 0.262E-02 0.773E-02 RMM: 6 -0.372199684984E+03 0.21708E-04 -0.37807E-05 3038 0.178E-02 0.547E-02 RMM: 7 -0.372199718369E+03 -0.33385E-04 -0.46456E-05 3186 0.184E-02 0.884E-02 RMM: 8 -0.372199671641E+03 0.46728E-04 -0.29664E-05 2736 0.166E-02 0.197E-02 RMM: 9 -0.372199674541E+03 -0.29004E-05 -0.10237E-05 2452 0.895E-03 6757 T= 5596. E= 0.67641085E+03 F= 0.63011559E+03 E0= 0.66017181E+03 EK= 0.46295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371494050674E+03 0.70562E+00 -0.38117E-01 8868 0.225E+01 0.198E-01 RMM: 2 -0.371514223296E+03 -0.20173E-01 -0.16319E-01 6105 0.745E-01 0.870E-01 RMM: 3 -0.371507479311E+03 0.67440E-02 -0.69288E-03 5486 0.169E-01 0.173E-01 RMM: 4 -0.371507353901E+03 0.12541E-03 -0.81128E-04 4670 0.565E-02 0.130E-01 RMM: 5 -0.371507272629E+03 0.81271E-04 -0.12180E-04 3867 0.254E-02 0.877E-02 RMM: 6 -0.371507235134E+03 0.37495E-04 -0.35751E-05 3001 0.176E-02 0.509E-02 RMM: 7 -0.371507273241E+03 -0.38107E-04 -0.48903E-05 3229 0.189E-02 0.909E-02 RMM: 8 -0.371507224786E+03 0.48455E-04 -0.34376E-05 2771 0.171E-02 0.270E-02 RMM: 9 -0.371507223272E+03 0.15136E-05 -0.11544E-05 2453 0.959E-03 6758 T= 5952. E= 0.68004632E+03 F= 0.63080492E+03 E0= 0.66083695E+03 EK= 0.49241E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370684594816E+03 0.82263E+00 -0.33611E-01 8916 0.233E+01 0.199E-01 RMM: 2 -0.370704612238E+03 -0.20017E-01 -0.15803E-01 5899 0.762E-01 0.896E-01 RMM: 3 -0.370697616789E+03 0.69954E-02 -0.75213E-03 5427 0.179E-01 0.173E-01 RMM: 4 -0.370697504913E+03 0.11188E-03 -0.82099E-04 4661 0.571E-02 0.132E-01 RMM: 5 -0.370697408900E+03 0.96014E-04 -0.11990E-04 3886 0.253E-02 0.843E-02 RMM: 6 -0.370697378452E+03 0.30448E-04 -0.34338E-05 2951 0.173E-02 0.552E-02 RMM: 7 -0.370697408002E+03 -0.29551E-04 -0.44116E-05 3126 0.181E-02 0.877E-02 RMM: 8 -0.370697364042E+03 0.43961E-04 -0.39519E-05 2845 0.181E-02 0.309E-02 RMM: 9 -0.370697363094E+03 0.94741E-06 -0.15332E-05 2468 0.112E-02 6759 T= 6473. E= 0.68515461E+03 F= 0.63160726E+03 E0= 0.66161900E+03 EK= 0.53547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369738080497E+03 0.95928E+00 -0.29543E-01 8904 0.243E+01 0.218E-01 RMM: 2 -0.369759713356E+03 -0.21633E-01 -0.15413E-01 5761 0.781E-01 0.108E+00 RMM: 3 -0.369750723820E+03 0.89895E-02 -0.85419E-03 5453 0.191E-01 0.200E-01 RMM: 4 -0.369750512589E+03 0.21123E-03 -0.90967E-04 4682 0.623E-02 0.129E-01 RMM: 5 -0.369750434748E+03 0.77841E-04 -0.13848E-04 3894 0.280E-02 0.898E-02 RMM: 6 -0.369750395510E+03 0.39238E-04 -0.35452E-05 2957 0.176E-02 0.558E-02 RMM: 7 -0.369750418075E+03 -0.22566E-04 -0.42001E-05 3070 0.182E-02 0.827E-02 RMM: 8 -0.369750378977E+03 0.39098E-04 -0.37135E-05 2762 0.173E-02 0.328E-02 RMM: 9 -0.369750379478E+03 -0.50147E-06 -0.18077E-05 2481 0.121E-02 6760 T= 6997. E= 0.69042587E+03 F= 0.63254313E+03 E0= 0.66254005E+03 EK= 0.57883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368648628312E+03 0.11018E+01 -0.25763E-01 8952 0.250E+01 0.196E-01 RMM: 2 -0.368667238102E+03 -0.18610E-01 -0.14588E-01 5672 0.780E-01 0.886E-01 RMM: 3 -0.368660775850E+03 0.64623E-02 -0.81503E-03 5417 0.189E-01 0.184E-01 RMM: 4 -0.368660628113E+03 0.14774E-03 -0.81833E-04 4737 0.589E-02 0.128E-01 RMM: 5 -0.368660529894E+03 0.98219E-04 -0.12353E-04 3872 0.265E-02 0.848E-02 RMM: 6 -0.368660499289E+03 0.30605E-04 -0.33332E-05 2905 0.172E-02 0.557E-02 RMM: 7 -0.368660516869E+03 -0.17580E-04 -0.35487E-05 2842 0.168E-02 6761 T= 7309. E= 0.69407989E+03 F= 0.63361884E+03 E0= 0.66360676E+03 EK= 0.60461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367432776834E+03 0.12277E+01 -0.22356E-01 8916 0.252E+01 0.197E-01 RMM: 2 -0.367450428535E+03 -0.17652E-01 -0.13400E-01 5480 0.775E-01 0.933E-01 RMM: 3 -0.367443836832E+03 0.65917E-02 -0.85295E-03 5516 0.192E-01 0.205E-01 RMM: 4 -0.367443553004E+03 0.28383E-03 -0.74879E-04 4693 0.593E-02 0.108E-01 RMM: 5 -0.367443497199E+03 0.55805E-04 -0.11013E-04 3890 0.265E-02 0.825E-02 RMM: 6 -0.367443488057E+03 0.91421E-05 -0.35743E-05 2917 0.175E-02 6762 T= 7253. E= 0.69481870E+03 F= 0.63481880E+03 E0= 0.66480387E+03 EK= 0.60000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366135668618E+03 0.13078E+01 -0.19774E-01 8484 0.248E+01 0.303E-01 RMM: 2 -0.366162002795E+03 -0.26334E-01 -0.12890E-01 5153 0.783E-01 0.152E+00 RMM: 3 -0.366145699899E+03 0.16303E-01 -0.13985E-02 5354 0.271E-01 0.323E-01 RMM: 4 -0.366145033035E+03 0.66686E-03 -0.15106E-03 4743 0.777E-02 0.110E-01 RMM: 5 -0.366144998248E+03 0.34788E-04 -0.19251E-04 3917 0.348E-02 0.107E-01 RMM: 6 -0.366144939435E+03 0.58813E-04 -0.57511E-05 3275 0.216E-02 0.647E-02 RMM: 7 -0.366144973906E+03 -0.34471E-04 -0.54899E-05 3331 0.208E-02 0.987E-02 RMM: 8 -0.366144933485E+03 0.40421E-04 -0.52927E-05 3208 0.183E-02 0.650E-02 RMM: 9 -0.366144910148E+03 0.23337E-04 -0.26841E-05 2599 0.154E-02 0.248E-02 RMM: 10 -0.366144916393E+03 -0.62450E-05 -0.13025E-05 2463 0.108E-02 6763 T= 6856. E= 0.69281677E+03 F= 0.63609710E+03 E0= 0.66608337E+03 EK= 0.56720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364836134267E+03 0.13088E+01 -0.17710E-01 8088 0.240E+01 0.340E-01 RMM: 2 -0.364864445371E+03 -0.28311E-01 -0.10829E-01 5101 0.746E-01 0.171E+00 RMM: 3 -0.364844400573E+03 0.20045E-01 -0.13331E-02 5353 0.271E-01 0.375E-01 RMM: 4 -0.364843485025E+03 0.91555E-03 -0.18539E-03 4859 0.942E-02 0.130E-01 RMM: 5 -0.364843479276E+03 0.57489E-05 -0.25916E-04 3902 0.387E-02 0.140E-01 RMM: 6 -0.364843361120E+03 0.11816E-03 -0.83079E-05 3597 0.264E-02 0.457E-02 RMM: 7 -0.364843374465E+03 -0.13345E-04 -0.31937E-05 2806 0.163E-02 6764 T= 6308. E= 0.68956045E+03 F= 0.63737470E+03 E0= 0.66736210E+03 EK= 0.52186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363629679478E+03 0.12137E+01 -0.15883E-01 8232 0.230E+01 0.212E-01 RMM: 2 -0.363644049637E+03 -0.14370E-01 -0.87582E-02 5205 0.661E-01 0.103E+00 RMM: 3 -0.363636521749E+03 0.75279E-02 -0.77414E-03 5402 0.191E-01 0.207E-01 RMM: 4 -0.363636280209E+03 0.24154E-03 -0.76257E-04 4666 0.595E-02 0.118E-01 RMM: 5 -0.363636227382E+03 0.52828E-04 -0.13070E-04 3871 0.292E-02 0.101E-01 RMM: 6 -0.363636170527E+03 0.56855E-04 -0.53638E-05 3271 0.211E-02 0.526E-02 RMM: 7 -0.363636222404E+03 -0.51876E-04 -0.62570E-05 3494 0.202E-02 0.109E-01 RMM: 8 -0.363636152060E+03 0.70344E-04 -0.50089E-05 3183 0.200E-02 0.360E-02 RMM: 9 -0.363636146718E+03 0.53423E-05 -0.15856E-05 2481 0.116E-02 6765 T= 5826. E= 0.68674916E+03 F= 0.63855390E+03 E0= 0.66853982E+03 EK= 0.48195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362612476588E+03 0.10237E+01 -0.14697E-01 8352 0.223E+01 0.203E-01 RMM: 2 -0.362625755699E+03 -0.13279E-01 -0.84045E-02 5104 0.649E-01 0.970E-01 RMM: 3 -0.362618989223E+03 0.67665E-02 -0.76582E-03 5483 0.183E-01 0.152E-01 RMM: 4 -0.362618984126E+03 0.50976E-05 -0.73423E-04 4661 0.608E-02 0.175E-01 RMM: 5 -0.362618793543E+03 0.19058E-03 -0.13421E-04 3858 0.290E-02 0.821E-02 RMM: 6 -0.362618752860E+03 0.40683E-04 -0.34580E-05 2926 0.178E-02 0.364E-02 RMM: 7 -0.362618759250E+03 -0.63905E-05 -0.26075E-05 2599 0.143E-02 6766 T= 5557. E= 0.68551088E+03 F= 0.63953914E+03 E0= 0.66952068E+03 EK= 0.45972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361859902633E+03 0.75885E+00 -0.14738E-01 8004 0.220E+01 0.181E-01 RMM: 2 -0.361872495109E+03 -0.12592E-01 -0.91700E-02 5080 0.676E-01 0.830E-01 RMM: 3 -0.361867529654E+03 0.49655E-02 -0.87381E-03 5630 0.181E-01 0.169E-01 RMM: 4 -0.361867307267E+03 0.22239E-03 -0.60910E-04 4601 0.555E-02 0.107E-01 RMM: 5 -0.361867247055E+03 0.60213E-04 -0.98616E-05 3695 0.254E-02 0.828E-02 RMM: 6 -0.361867216054E+03 0.31001E-04 -0.35613E-05 2957 0.175E-02 0.523E-02 RMM: 7 -0.361867257754E+03 -0.41700E-04 -0.57793E-05 3364 0.197E-02 0.103E-01 RMM: 8 -0.361867190877E+03 0.66878E-04 -0.42698E-05 2977 0.185E-02 0.258E-02 RMM: 9 -0.361867190142E+03 0.73504E-06 -0.12622E-05 2462 0.101E-02 6767 T= 5570. E= 0.68633460E+03 F= 0.64025495E+03 E0= 0.67022903E+03 EK= 0.46080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361420638025E+03 0.44655E+00 -0.14514E-01 8220 0.223E+01 0.182E-01 RMM: 2 -0.361431935366E+03 -0.11297E-01 -0.82373E-02 5127 0.640E-01 0.818E-01 RMM: 3 -0.361427164311E+03 0.47711E-02 -0.76340E-03 5718 0.169E-01 0.133E-01 RMM: 4 -0.361427070424E+03 0.93887E-04 -0.58853E-04 4612 0.556E-02 0.144E-01 RMM: 5 -0.361426947084E+03 0.12334E-03 -0.11184E-04 3765 0.270E-02 0.809E-02 RMM: 6 -0.361426908949E+03 0.38135E-04 -0.30526E-05 2828 0.167E-02 0.374E-02 RMM: 7 -0.361426917554E+03 -0.86050E-05 -0.25244E-05 2572 0.140E-02 6768 T= 5872. E= 0.68923597E+03 F= 0.64065678E+03 E0= 0.67062136E+03 EK= 0.48579E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361301430986E+03 0.12548E+00 -0.15254E-01 8208 0.230E+01 0.153E-01 RMM: 2 -0.361311098115E+03 -0.96671E-02 -0.79709E-02 5233 0.631E-01 0.650E-01 RMM: 3 -0.361308050739E+03 0.30474E-02 -0.70693E-03 5813 0.158E-01 0.141E-01 RMM: 4 -0.361307870146E+03 0.18059E-03 -0.40742E-04 4202 0.448E-02 0.972E-02 RMM: 5 -0.361307800824E+03 0.69322E-04 -0.75401E-05 3561 0.243E-02 0.645E-02 RMM: 6 -0.361307797684E+03 0.31399E-05 -0.33223E-05 2852 0.166E-02 6769 T= 6405. E= 0.69371883E+03 F= 0.64073582E+03 E0= 0.67069003E+03 EK= 0.52983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361471310800E+03 -0.16351E+00 -0.17004E-01 8172 0.240E+01 0.277E-01 RMM: 2 -0.361495180902E+03 -0.23870E-01 -0.94872E-02 5247 0.707E-01 0.160E+00 RMM: 3 -0.361478704118E+03 0.16477E-01 -0.11234E-02 5374 0.244E-01 0.277E-01 RMM: 4 -0.361478227017E+03 0.47710E-03 -0.12018E-03 4678 0.696E-02 0.106E-01 RMM: 5 -0.361478163897E+03 0.63120E-04 -0.15304E-04 3899 0.315E-02 0.933E-02 RMM: 6 -0.361478115031E+03 0.48866E-04 -0.40082E-05 2953 0.188E-02 0.583E-02 RMM: 7 -0.361478134542E+03 -0.19511E-04 -0.63801E-05 3481 0.217E-02 6770 T= 7011. E= 0.69852417E+03 F= 0.64052444E+03 E0= 0.67046972E+03 EK= 0.58000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361859246881E+03 -0.38113E+00 -0.18599E-01 8412 0.248E+01 0.308E-01 RMM: 2 -0.361885986823E+03 -0.26740E-01 -0.10037E-01 5322 0.757E-01 0.171E+00 RMM: 3 -0.361867039044E+03 0.18948E-01 -0.12048E-02 5403 0.259E-01 0.378E-01 RMM: 4 -0.361866080352E+03 0.95869E-03 -0.15399E-03 4681 0.852E-02 0.107E-01 RMM: 5 -0.361866069920E+03 0.10432E-04 -0.23081E-04 3886 0.394E-02 0.123E-01 RMM: 6 -0.361865968759E+03 0.10116E-03 -0.64536E-05 3437 0.233E-02 0.478E-02 RMM: 7 -0.361865982609E+03 -0.13849E-04 -0.38055E-05 2969 0.176E-02 6771 T= 7443. E= 0.70166445E+03 F= 0.64009459E+03 E0= 0.67003411E+03 EK= 0.61570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362371148038E+03 -0.50518E+00 -0.19695E-01 8016 0.251E+01 0.218E-01 RMM: 2 -0.362389151294E+03 -0.18003E-01 -0.11109E-01 5079 0.779E-01 0.113E+00 RMM: 3 -0.362380400108E+03 0.87512E-02 -0.11120E-02 5487 0.223E-01 0.196E-01 RMM: 4 -0.362380156667E+03 0.24344E-03 -0.87552E-04 4731 0.632E-02 0.115E-01 RMM: 5 -0.362380078219E+03 0.78448E-04 -0.13799E-04 3879 0.312E-02 0.845E-02 RMM: 6 -0.362380046548E+03 0.31671E-04 -0.41659E-05 2992 0.188E-02 0.602E-02 RMM: 7 -0.362380065039E+03 -0.18491E-04 -0.50550E-05 3242 0.193E-02 6772 T= 7477. E= 0.70138896E+03 F= 0.63953677E+03 E0= 0.66947730E+03 EK= 0.61852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362943023578E+03 -0.56298E+00 -0.18636E-01 7932 0.248E+01 0.227E-01 RMM: 2 -0.362958909753E+03 -0.15886E-01 -0.96756E-02 5083 0.744E-01 0.111E+00 RMM: 3 -0.362950709159E+03 0.82006E-02 -0.97289E-03 5511 0.216E-01 0.211E-01 RMM: 4 -0.362950441631E+03 0.26753E-03 -0.82579E-04 4662 0.633E-02 0.120E-01 RMM: 5 -0.362950392466E+03 0.49165E-04 -0.14229E-04 3867 0.320E-02 0.101E-01 RMM: 6 -0.362950334167E+03 0.58299E-04 -0.47091E-05 3152 0.203E-02 0.486E-02 RMM: 7 -0.362950355976E+03 -0.21809E-04 -0.36392E-05 2871 0.179E-02 0.799E-02 RMM: 8 -0.362950315278E+03 0.40698E-04 -0.34506E-05 2635 0.172E-02 0.356E-02 RMM: 9 -0.362950309744E+03 0.55341E-05 -0.13766E-05 2466 0.108E-02 6773 T= 7091. E= 0.69757808E+03 F= 0.63891976E+03 E0= 0.66886949E+03 EK= 0.58658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363544089624E+03 -0.59377E+00 -0.17541E-01 7872 0.239E+01 0.203E-01 RMM: 2 -0.363558021789E+03 -0.13932E-01 -0.98808E-02 5000 0.735E-01 0.918E-01 RMM: 3 -0.363552091012E+03 0.59308E-02 -0.96663E-03 5586 0.205E-01 0.145E-01 RMM: 4 -0.363552101875E+03 -0.10862E-04 -0.76343E-04 4670 0.647E-02 0.184E-01 RMM: 5 -0.363551899767E+03 0.20211E-03 -0.15340E-04 3872 0.327E-02 0.862E-02 RMM: 6 -0.363551856325E+03 0.43442E-04 -0.42422E-05 3078 0.196E-02 0.376E-02 RMM: 7 -0.363551866063E+03 -0.97385E-05 -0.23616E-05 2541 0.145E-02 6774 T= 6481. E= 0.69188137E+03 F= 0.63826693E+03 E0= 0.66823498E+03 EK= 0.53614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364191982728E+03 -0.64013E+00 -0.16215E-01 8112 0.229E+01 0.224E-01 RMM: 2 -0.364206342041E+03 -0.14359E-01 -0.88792E-02 5157 0.694E-01 0.104E+00 RMM: 3 -0.364198910593E+03 0.74314E-02 -0.84776E-03 5548 0.198E-01 0.195E-01 RMM: 4 -0.364198742305E+03 0.16829E-03 -0.78768E-04 4656 0.634E-02 0.150E-01 RMM: 5 -0.364198630616E+03 0.11169E-03 -0.13260E-04 3855 0.301E-02 0.992E-02 RMM: 6 -0.364198572845E+03 0.57771E-04 -0.39773E-05 3027 0.191E-02 0.477E-02 RMM: 7 -0.364198602222E+03 -0.29377E-04 -0.63151E-05 3463 0.214E-02 0.900E-02 RMM: 8 -0.364198551932E+03 0.50290E-04 -0.39977E-05 2938 0.184E-02 0.284E-02 RMM: 9 -0.364198551955E+03 -0.22852E-07 -0.13476E-05 2464 0.106E-02 6775 T= 5903. E= 0.68639408E+03 F= 0.63756325E+03 E0= 0.66755882E+03 EK= 0.48831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364910197804E+03 -0.71165E+00 -0.15194E-01 8148 0.221E+01 0.202E-01 RMM: 2 -0.364921358427E+03 -0.11161E-01 -0.84187E-02 5115 0.657E-01 0.804E-01 RMM: 3 -0.364916679097E+03 0.46793E-02 -0.75687E-03 5687 0.180E-01 0.130E-01 RMM: 4 -0.364916769842E+03 -0.90745E-04 -0.64093E-04 4650 0.590E-02 0.207E-01 RMM: 5 -0.364916497584E+03 0.27226E-03 -0.15062E-04 3865 0.325E-02 0.748E-02 RMM: 6 -0.364916464107E+03 0.33476E-04 -0.37866E-05 3007 0.187E-02 0.374E-02 RMM: 7 -0.364916473533E+03 -0.94259E-05 -0.25286E-05 2550 0.147E-02 6776 T= 5530. E= 0.68253403E+03 F= 0.63678213E+03 E0= 0.66681423E+03 EK= 0.45752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365717056919E+03 -0.80059E+00 -0.14934E-01 8640 0.217E+01 0.173E-01 RMM: 2 -0.365726391826E+03 -0.93349E-02 -0.73841E-02 5324 0.590E-01 0.681E-01 RMM: 3 -0.365722708038E+03 0.36838E-02 -0.55814E-03 5777 0.152E-01 0.144E-01 RMM: 4 -0.365722622769E+03 0.85269E-04 -0.47274E-04 4492 0.490E-02 0.137E-01 RMM: 5 -0.365722506298E+03 0.11647E-03 -0.93688E-05 3716 0.262E-02 0.675E-02 RMM: 6 -0.365722493453E+03 0.12845E-04 -0.30037E-05 2790 0.165E-02 6777 T= 5440. E= 0.68090693E+03 F= 0.63590718E+03 E0= 0.66598398E+03 EK= 0.45000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366605837576E+03 -0.88333E+00 -0.16006E-01 8640 0.219E+01 0.307E-01 RMM: 2 -0.366632807726E+03 -0.26970E-01 -0.87165E-02 5173 0.654E-01 0.175E+00 RMM: 3 -0.366612334575E+03 0.20473E-01 -0.11667E-02 5357 0.256E-01 0.335E-01 RMM: 4 -0.366611578843E+03 0.75573E-03 -0.13995E-03 4677 0.767E-02 0.107E-01 RMM: 5 -0.366611560036E+03 0.18807E-04 -0.21056E-04 3906 0.370E-02 0.115E-01 RMM: 6 -0.366611478876E+03 0.81160E-04 -0.65248E-05 3407 0.234E-02 0.548E-02 RMM: 7 -0.366611503264E+03 -0.24388E-04 -0.44101E-05 3077 0.190E-02 0.847E-02 RMM: 8 -0.366611460922E+03 0.42342E-04 -0.36153E-05 2731 0.173E-02 0.468E-02 RMM: 9 -0.366611449121E+03 0.11801E-04 -0.15925E-05 2483 0.119E-02 6778 T= 5639. E= 0.68159142E+03 F= 0.63494486E+03 E0= 0.66507385E+03 EK= 0.46647E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367541086840E+03 -0.92963E+00 -0.17620E-01 8916 0.226E+01 0.302E-01 RMM: 2 -0.367568911852E+03 -0.27825E-01 -0.92662E-02 5358 0.657E-01 0.176E+00 RMM: 3 -0.367547911326E+03 0.21001E-01 -0.11199E-02 5358 0.251E-01 0.321E-01 RMM: 4 -0.367547242534E+03 0.66879E-03 -0.14773E-03 4667 0.793E-02 0.112E-01 RMM: 5 -0.367547207769E+03 0.34765E-04 -0.20153E-04 3889 0.363E-02 0.119E-01 RMM: 6 -0.367547118561E+03 0.89208E-04 -0.63716E-05 3437 0.234E-02 0.416E-02 RMM: 7 -0.367547141362E+03 -0.22802E-04 -0.37588E-05 2977 0.173E-02 0.829E-02 RMM: 8 -0.367547098919E+03 0.42443E-04 -0.32379E-05 2642 0.181E-02 0.291E-02 RMM: 9 -0.367547094777E+03 0.41419E-05 -0.92702E-06 2445 0.861E-03 6779 T= 6083. E= 0.68425772E+03 F= 0.63393309E+03 E0= 0.66412085E+03 EK= 0.50325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368453643836E+03 -0.90654E+00 -0.20568E-01 8988 0.236E+01 0.215E-01 RMM: 2 -0.368472742117E+03 -0.19098E-01 -0.11031E-01 5464 0.683E-01 0.121E+00 RMM: 3 -0.368462060969E+03 0.10681E-01 -0.80582E-03 5391 0.196E-01 0.205E-01 RMM: 4 -0.368461790583E+03 0.27039E-03 -0.88952E-04 4775 0.589E-02 0.110E-01 RMM: 5 -0.368461710768E+03 0.79815E-04 -0.12133E-04 3862 0.297E-02 0.803E-02 RMM: 6 -0.368461685422E+03 0.25346E-04 -0.38759E-05 2977 0.182E-02 0.688E-02 RMM: 7 -0.368461689000E+03 -0.35778E-05 -0.72953E-05 3668 0.226E-02 6780 T= 6656. E= 0.68800254E+03 F= 0.63294091E+03 E0= 0.66319103E+03 EK= 0.55062E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369254243915E+03 -0.79256E+00 -0.23342E-01 8988 0.245E+01 0.171E-01 RMM: 2 -0.369269055549E+03 -0.14812E-01 -0.12526E-01 5569 0.701E-01 0.722E-01 RMM: 3 -0.369263924880E+03 0.51307E-02 -0.69796E-03 5538 0.172E-01 0.185E-01 RMM: 4 -0.369263706722E+03 0.21816E-03 -0.71052E-04 4523 0.520E-02 0.112E-01 RMM: 5 -0.369263613103E+03 0.93619E-04 -0.10808E-04 3881 0.284E-02 0.792E-02 RMM: 6 -0.369263621844E+03 -0.87407E-05 -0.64145E-05 3433 0.216E-02 6781 T= 7152. E= 0.69122844E+03 F= 0.63206027E+03 E0= 0.66237173E+03 EK= 0.59168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369857618480E+03 -0.59401E+00 -0.26731E-01 8904 0.251E+01 0.339E-01 RMM: 2 -0.369896450833E+03 -0.38832E-01 -0.15826E-01 5378 0.819E-01 0.197E+00 RMM: 3 -0.369869264563E+03 0.27186E-01 -0.15887E-02 5361 0.292E-01 0.347E-01 RMM: 4 -0.369868423274E+03 0.84129E-03 -0.18484E-03 4786 0.851E-02 0.109E-01 RMM: 5 -0.369868371467E+03 0.51808E-04 -0.22163E-04 3930 0.372E-02 0.105E-01 RMM: 6 -0.369868311116E+03 0.60350E-04 -0.69575E-05 3549 0.235E-02 0.689E-02 RMM: 7 -0.369868347481E+03 -0.36365E-04 -0.76804E-05 3626 0.238E-02 0.107E-01 RMM: 8 -0.369868276500E+03 0.70981E-04 -0.51862E-05 3250 0.202E-02 0.542E-02 RMM: 9 -0.369868262372E+03 0.14128E-04 -0.21010E-05 2538 0.132E-02 6782 T= 7347. E= 0.69215479E+03 F= 0.63137489E+03 E0= 0.66174338E+03 EK= 0.60780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370222439868E+03 -0.35416E+00 -0.28799E-01 8820 0.251E+01 0.315E-01 RMM: 2 -0.370258289579E+03 -0.35850E-01 -0.16467E-01 5332 0.827E-01 0.180E+00 RMM: 3 -0.370235057963E+03 0.23232E-01 -0.14710E-02 5356 0.278E-01 0.316E-01 RMM: 4 -0.370234435947E+03 0.62202E-03 -0.18934E-03 4799 0.897E-02 0.145E-01 RMM: 5 -0.370234397083E+03 0.38864E-04 -0.29109E-04 3914 0.435E-02 0.143E-01 RMM: 6 -0.370234264937E+03 0.13215E-03 -0.98555E-05 3804 0.276E-02 0.475E-02 RMM: 7 -0.370234291518E+03 -0.26580E-04 -0.54986E-05 3289 0.206E-02 0.831E-02 RMM: 8 -0.370234251103E+03 0.40415E-04 -0.31582E-05 2770 0.178E-02 0.357E-02 RMM: 9 -0.370234245370E+03 0.57324E-05 -0.10933E-05 2460 0.949E-03 6783 T= 7141. E= 0.69000271E+03 F= 0.63092434E+03 E0= 0.66133702E+03 EK= 0.59078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370373890767E+03 -0.13964E+00 -0.28267E-01 8796 0.244E+01 0.273E-01 RMM: 2 -0.370399574891E+03 -0.25684E-01 -0.15277E-01 5615 0.777E-01 0.137E+00 RMM: 3 -0.370385495202E+03 0.14080E-01 -0.10414E-02 5375 0.227E-01 0.239E-01 RMM: 4 -0.370385202644E+03 0.29256E-03 -0.12394E-03 4726 0.723E-02 0.138E-01 RMM: 5 -0.370385125315E+03 0.77330E-04 -0.18029E-04 3938 0.316E-02 0.117E-01 RMM: 6 -0.370385042500E+03 0.82815E-04 -0.56511E-05 3286 0.215E-02 0.483E-02 RMM: 7 -0.370385083322E+03 -0.40822E-04 -0.69287E-05 3563 0.219E-02 0.995E-02 RMM: 8 -0.370385019408E+03 0.63914E-04 -0.38865E-05 3035 0.190E-02 0.243E-02 RMM: 9 -0.370385018193E+03 0.12142E-05 -0.99269E-06 2454 0.882E-03 6784 T= 6644. E= 0.68565048E+03 F= 0.63068288E+03 E0= 0.66112405E+03 EK= 0.54968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370380193083E+03 0.48263E-02 -0.26200E-01 8796 0.234E+01 0.231E-01 RMM: 2 -0.370397803783E+03 -0.17611E-01 -0.14316E-01 5633 0.753E-01 0.860E-01 RMM: 3 -0.370391417334E+03 0.63864E-02 -0.81199E-03 5653 0.186E-01 0.194E-01 RMM: 4 -0.370391357415E+03 0.59919E-04 -0.91346E-04 4682 0.668E-02 0.204E-01 RMM: 5 -0.370391114194E+03 0.24322E-03 -0.19606E-04 3885 0.350E-02 0.953E-02 RMM: 6 -0.370391059863E+03 0.54331E-04 -0.48014E-05 3192 0.205E-02 0.399E-02 RMM: 7 -0.370391080203E+03 -0.20340E-04 -0.36896E-05 2895 0.173E-02 0.754E-02 RMM: 8 -0.370391043577E+03 0.36626E-04 -0.29884E-05 2624 0.161E-02 0.261E-02 RMM: 9 -0.370391041079E+03 0.24985E-05 -0.94189E-06 2441 0.866E-03 6785 T= 6083. E= 0.68090102E+03 F= 0.63057816E+03 E0= 0.66103178E+03 EK= 0.50323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370327429721E+03 0.63614E-01 -0.22744E-01 8796 0.225E+01 0.226E-01 RMM: 2 -0.370342421995E+03 -0.14992E-01 -0.12227E-01 5602 0.701E-01 0.808E-01 RMM: 3 -0.370336814438E+03 0.56076E-02 -0.70930E-03 5672 0.173E-01 0.166E-01 RMM: 4 -0.370336951500E+03 -0.13706E-03 -0.86534E-04 4656 0.674E-02 0.244E-01 RMM: 5 -0.370336576240E+03 0.37526E-03 -0.21960E-04 3886 0.369E-02 0.858E-02 RMM: 6 -0.370336534583E+03 0.41657E-04 -0.39700E-05 3069 0.184E-02 0.429E-02 RMM: 7 -0.370336553396E+03 -0.18813E-04 -0.46514E-05 3138 0.187E-02 6786 T= 5655. E= 0.67730827E+03 F= 0.63052513E+03 E0= 0.66097625E+03 EK= 0.46783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370280084621E+03 0.56450E-01 -0.19331E-01 8880 0.219E+01 0.233E-01 RMM: 2 -0.370293892542E+03 -0.13808E-01 -0.10113E-01 5585 0.640E-01 0.897E-01 RMM: 3 -0.370287644250E+03 0.62483E-02 -0.64230E-03 5719 0.168E-01 0.207E-01 RMM: 4 -0.370287558652E+03 0.85598E-04 -0.83942E-04 4656 0.657E-02 0.196E-01 RMM: 5 -0.370287332816E+03 0.22584E-03 -0.17515E-04 3885 0.327E-02 0.944E-02 RMM: 6 -0.370287282688E+03 0.50129E-04 -0.42169E-05 3124 0.194E-02 0.441E-02 RMM: 7 -0.370287304556E+03 -0.21869E-04 -0.41826E-05 3065 0.178E-02 0.782E-02 RMM: 8 -0.370287266932E+03 0.37624E-04 -0.32685E-05 2791 0.175E-02 0.282E-02 RMM: 9 -0.370287263554E+03 0.33778E-05 -0.85339E-06 2444 0.820E-03 6787 T= 5470. E= 0.67571426E+03 F= 0.63045883E+03 E0= 0.66089444E+03 EK= 0.45255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370269238937E+03 0.18028E-01 -0.17659E-01 8892 0.218E+01 0.204E-01 RMM: 2 -0.370281025820E+03 -0.11787E-01 -0.89095E-02 5577 0.586E-01 0.792E-01 RMM: 3 -0.370275734611E+03 0.52912E-02 -0.52466E-03 5518 0.153E-01 0.147E-01 RMM: 4 -0.370275852082E+03 -0.11747E-03 -0.69730E-04 4662 0.588E-02 0.213E-01 RMM: 5 -0.370275565821E+03 0.28626E-03 -0.16665E-04 3888 0.323E-02 0.876E-02 RMM: 6 -0.370275523083E+03 0.42739E-04 -0.47625E-05 3199 0.199E-02 0.453E-02 RMM: 7 -0.370275544450E+03 -0.21367E-04 -0.39861E-05 2983 0.174E-02 0.796E-02 RMM: 8 -0.370275502863E+03 0.41587E-04 -0.29012E-05 2682 0.167E-02 0.196E-02 RMM: 9 -0.370275501988E+03 0.87470E-06 -0.71472E-06 2436 0.715E-03 6788 T= 5565. E= 0.67638879E+03 F= 0.63034911E+03 E0= 0.66075658E+03 EK= 0.46040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370288573730E+03 -0.13071E-01 -0.16932E-01 8844 0.222E+01 0.186E-01 RMM: 2 -0.370298843493E+03 -0.10270E-01 -0.79062E-02 5596 0.559E-01 0.735E-01 RMM: 3 -0.370294341320E+03 0.45022E-02 -0.46577E-03 5865 0.140E-01 0.155E-01 RMM: 4 -0.370294264610E+03 0.76710E-04 -0.52112E-04 4607 0.508E-02 0.149E-01 RMM: 5 -0.370294143577E+03 0.12103E-03 -0.13952E-04 3881 0.312E-02 0.922E-02 RMM: 6 -0.370294103670E+03 0.39907E-04 -0.56997E-05 3358 0.217E-02 0.553E-02 RMM: 7 -0.370294121323E+03 -0.17653E-04 -0.37809E-05 2977 0.176E-02 6789 T= 5922. E= 0.67919465E+03 F= 0.63020603E+03 E0= 0.66057246E+03 EK= 0.48989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370290115286E+03 0.39884E-02 -0.17341E-01 8892 0.230E+01 0.187E-01 RMM: 2 -0.370300308903E+03 -0.10194E-01 -0.79714E-02 5521 0.585E-01 0.736E-01 RMM: 3 -0.370295997146E+03 0.43118E-02 -0.53380E-03 5834 0.152E-01 0.154E-01 RMM: 4 -0.370295874408E+03 0.12274E-03 -0.48543E-04 4474 0.469E-02 0.127E-01 RMM: 5 -0.370295750407E+03 0.12400E-03 -0.14134E-04 3881 0.331E-02 0.694E-02 RMM: 6 -0.370295790147E+03 -0.39740E-04 -0.83692E-05 3654 0.243E-02 0.110E-01 RMM: 7 -0.370295743985E+03 0.46162E-04 -0.52101E-05 3258 0.208E-02 0.829E-02 RMM: 8 -0.370295700561E+03 0.43424E-04 -0.28749E-05 2806 0.163E-02 0.244E-02 RMM: 9 -0.370295703436E+03 -0.28752E-05 -0.11154E-05 2461 0.909E-03 6790 T= 6457. E= 0.68349828E+03 F= 0.63007955E+03 E0= 0.66039171E+03 EK= 0.53419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370194305655E+03 0.10139E+00 -0.18715E-01 8892 0.239E+01 0.159E-01 RMM: 2 -0.370204535111E+03 -0.10229E-01 -0.87386E-02 5452 0.618E-01 0.636E-01 RMM: 3 -0.370201104225E+03 0.34309E-02 -0.57067E-03 5900 0.145E-01 0.149E-01 RMM: 4 -0.370200950149E+03 0.15408E-03 -0.47585E-04 4315 0.497E-02 0.129E-01 RMM: 5 -0.370200830629E+03 0.11952E-03 -0.13847E-04 3874 0.336E-02 0.666E-02 RMM: 6 -0.370200841438E+03 -0.10809E-04 -0.65373E-05 3442 0.222E-02 6791 T= 7001. E= 0.68796614E+03 F= 0.63005024E+03 E0= 0.66029350E+03 EK= 0.57916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369919732717E+03 0.28110E+00 -0.19452E-01 8712 0.246E+01 0.249E-01 RMM: 2 -0.369938005185E+03 -0.18272E-01 -0.90662E-02 5472 0.641E-01 0.129E+00 RMM: 3 -0.369926287510E+03 0.11718E-01 -0.80157E-03 5371 0.203E-01 0.228E-01 RMM: 4 -0.369925974655E+03 0.31286E-03 -0.90725E-04 4729 0.603E-02 0.112E-01 RMM: 5 -0.369925897544E+03 0.77110E-04 -0.20514E-04 3880 0.398E-02 0.108E-01 RMM: 6 -0.369925858958E+03 0.38586E-04 -0.11600E-04 3872 0.287E-02 0.922E-02 RMM: 7 -0.369925904167E+03 -0.45209E-04 -0.10382E-04 3882 0.278E-02 0.129E-01 RMM: 8 -0.369925794950E+03 0.10922E-03 -0.49568E-05 3276 0.211E-02 0.372E-02 RMM: 9 -0.369925791693E+03 0.32572E-05 -0.14699E-05 2493 0.106E-02 6792 T= 7322. E= 0.69077508E+03 F= 0.63020110E+03 E0= 0.66036295E+03 EK= 0.60574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369418771021E+03 0.50702E+00 -0.19511E-01 8496 0.248E+01 0.226E-01 RMM: 2 -0.369435899346E+03 -0.17128E-01 -0.88469E-02 5382 0.633E-01 0.121E+00 RMM: 3 -0.369425229531E+03 0.10670E-01 -0.76673E-03 5378 0.198E-01 0.203E-01 RMM: 4 -0.369425027389E+03 0.20214E-03 -0.93647E-04 4658 0.642E-02 0.134E-01 RMM: 5 -0.369424929343E+03 0.98046E-04 -0.17415E-04 3878 0.361E-02 0.101E-01 RMM: 6 -0.369424877906E+03 0.51436E-04 -0.63941E-05 3441 0.229E-02 0.574E-02 RMM: 7 -0.369424891382E+03 -0.13476E-04 -0.46290E-05 3085 0.192E-02 6793 T= 7258. E= 0.69062154E+03 F= 0.63057551E+03 E0= 0.66064571E+03 EK= 0.60046E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368717249727E+03 0.70763E+00 -0.18895E-01 8088 0.243E+01 0.224E-01 RMM: 2 -0.368728793107E+03 -0.11543E-01 -0.86831E-02 5380 0.622E-01 0.817E-01 RMM: 3 -0.368723627246E+03 0.51659E-02 -0.64691E-03 5446 0.173E-01 0.200E-01 RMM: 4 -0.368723585225E+03 0.42020E-04 -0.82447E-04 4653 0.647E-02 0.199E-01 RMM: 5 -0.368723348777E+03 0.23645E-03 -0.21917E-04 3890 0.375E-02 0.112E-01 RMM: 6 -0.368723288541E+03 0.60236E-04 -0.79761E-05 3599 0.248E-02 0.706E-02 RMM: 7 -0.368723323595E+03 -0.35054E-04 -0.89054E-05 3836 0.247E-02 0.110E-01 RMM: 8 -0.368723244722E+03 0.78873E-04 -0.42092E-05 3159 0.196E-02 0.264E-02 RMM: 9 -0.368723243134E+03 0.15880E-05 -0.96536E-06 2458 0.864E-03 6794 T= 6843. E= 0.68775523E+03 F= 0.63114529E+03 E0= 0.66111909E+03 EK= 0.56610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367904992120E+03 0.81825E+00 -0.17641E-01 8196 0.234E+01 0.229E-01 RMM: 2 -0.367916477553E+03 -0.11485E-01 -0.85321E-02 5179 0.642E-01 0.841E-01 RMM: 3 -0.367911331228E+03 0.51463E-02 -0.73830E-03 5674 0.179E-01 0.170E-01 RMM: 4 -0.367911416243E+03 -0.85015E-04 -0.82761E-04 4633 0.659E-02 0.226E-01 RMM: 5 -0.367911125890E+03 0.29035E-03 -0.19867E-04 3894 0.362E-02 0.109E-01 RMM: 6 -0.367911049438E+03 0.76452E-04 -0.56971E-05 3325 0.224E-02 0.353E-02 RMM: 7 -0.367911068634E+03 -0.19195E-04 -0.27854E-05 2652 0.151E-02 6795 T= 6278. E= 0.68375704E+03 F= 0.63181752E+03 E0= 0.66169590E+03 EK= 0.51940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367097574790E+03 0.81347E+00 -0.16018E-01 7992 0.225E+01 0.260E-01 RMM: 2 -0.367107896077E+03 -0.10321E-01 -0.80252E-02 5236 0.648E-01 0.800E-01 RMM: 3 -0.367103450100E+03 0.44460E-02 -0.73821E-03 5520 0.182E-01 0.206E-01 RMM: 4 -0.367103660421E+03 -0.21032E-03 -0.10427E-03 4641 0.751E-02 0.290E-01 RMM: 5 -0.367103104131E+03 0.55629E-03 -0.30674E-04 3962 0.444E-02 0.816E-02 RMM: 6 -0.367103078197E+03 0.25934E-04 -0.57985E-05 3346 0.217E-02 0.628E-02 RMM: 7 -0.367103100308E+03 -0.22111E-04 -0.54383E-05 3281 0.195E-02 0.935E-02 RMM: 8 -0.367103043849E+03 0.56459E-04 -0.37933E-05 2948 0.189E-02 0.266E-02 RMM: 9 -0.367103044781E+03 -0.93264E-06 -0.12523E-05 2472 0.101E-02 6796 T= 5788. E= 0.68036198E+03 F= 0.63247629E+03 E0= 0.66226454E+03 EK= 0.47886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366392795536E+03 0.71025E+00 -0.14481E-01 7704 0.219E+01 0.242E-01 RMM: 2 -0.366400941065E+03 -0.81455E-02 -0.63626E-02 5298 0.580E-01 0.752E-01 RMM: 3 -0.366397188359E+03 0.37527E-02 -0.55089E-03 5514 0.156E-01 0.183E-01 RMM: 4 -0.366397443146E+03 -0.25479E-03 -0.90224E-04 4616 0.715E-02 0.281E-01 RMM: 5 -0.366396960762E+03 0.48238E-03 -0.26923E-04 3895 0.419E-02 0.111E-01 RMM: 6 -0.366396881211E+03 0.79551E-04 -0.62293E-05 3398 0.228E-02 0.381E-02 RMM: 7 -0.366396898847E+03 -0.17636E-04 -0.33350E-05 2813 0.164E-02 6797 T= 5519. E= 0.67867818E+03 F= 0.63302469E+03 E0= 0.66273073E+03 EK= 0.45653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365848716349E+03 0.54816E+00 -0.14029E-01 7836 0.217E+01 0.232E-01 RMM: 2 -0.365855765058E+03 -0.70487E-02 -0.50224E-02 5296 0.535E-01 0.750E-01 RMM: 3 -0.365852069547E+03 0.36955E-02 -0.47877E-03 5416 0.153E-01 0.175E-01 RMM: 4 -0.365852203506E+03 -0.13396E-03 -0.73940E-04 4616 0.633E-02 0.236E-01 RMM: 5 -0.365851839719E+03 0.36379E-03 -0.20841E-04 3887 0.361E-02 0.843E-02 RMM: 6 -0.365851809945E+03 0.29775E-04 -0.52129E-05 3274 0.210E-02 0.575E-02 RMM: 7 -0.365851831664E+03 -0.21719E-04 -0.41805E-05 3056 0.180E-02 0.886E-02 RMM: 8 -0.365851780168E+03 0.51496E-04 -0.29258E-05 2827 0.175E-02 0.207E-02 RMM: 9 -0.365851780687E+03 -0.51865E-06 -0.79717E-06 2447 0.788E-03 6798 T= 5531. E= 0.67916352E+03 F= 0.63340639E+03 E0= 0.66303905E+03 EK= 0.45757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365478504440E+03 0.37328E+00 -0.14690E-01 8220 0.221E+01 0.197E-01 RMM: 2 -0.365484751644E+03 -0.62472E-02 -0.47314E-02 5219 0.518E-01 0.679E-01 RMM: 3 -0.365481818322E+03 0.29333E-02 -0.42231E-03 5443 0.136E-01 0.142E-01 RMM: 4 -0.365481895321E+03 -0.76999E-04 -0.58979E-04 4606 0.589E-02 0.199E-01 RMM: 5 -0.365481668839E+03 0.22648E-03 -0.19721E-04 3876 0.367E-02 0.103E-01 RMM: 6 -0.365481613027E+03 0.55812E-04 -0.77874E-05 3556 0.251E-02 0.531E-02 RMM: 7 -0.365481637119E+03 -0.24091E-04 -0.35720E-05 2975 0.174E-02 0.851E-02 RMM: 8 -0.365481590046E+03 0.47073E-04 -0.22268E-05 2603 0.156E-02 0.186E-02 RMM: 9 -0.365481588645E+03 0.14005E-05 -0.51030E-06 2430 0.614E-03 6799 T= 5828. E= 0.68182107E+03 F= 0.63361136E+03 E0= 0.66318104E+03 EK= 0.48210E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365255468462E+03 0.22612E+00 -0.15496E-01 8400 0.230E+01 0.182E-01 RMM: 2 -0.365262758251E+03 -0.72898E-02 -0.50678E-02 5300 0.543E-01 0.733E-01 RMM: 3 -0.365259236288E+03 0.35220E-02 -0.43582E-03 5431 0.139E-01 0.144E-01 RMM: 4 -0.365259175031E+03 0.61257E-04 -0.47857E-04 4487 0.521E-02 0.142E-01 RMM: 5 -0.365259048955E+03 0.12608E-03 -0.19006E-04 3877 0.384E-02 0.840E-02 RMM: 6 -0.365259052233E+03 -0.32775E-05 -0.81576E-05 3606 0.248E-02 6800 T= 6347. E= 0.68617348E+03 F= 0.63367032E+03 E0= 0.66318849E+03 EK= 0.52503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365117419920E+03 0.14163E+00 -0.17023E-01 8472 0.240E+01 0.296E-01 RMM: 2 -0.365138033356E+03 -0.20613E-01 -0.71334E-02 5328 0.654E-01 0.155E+00 RMM: 3 -0.365122362520E+03 0.15671E-01 -0.97287E-03 5338 0.240E-01 0.256E-01 RMM: 4 -0.365121958208E+03 0.40431E-03 -0.10291E-03 4655 0.636E-02 0.125E-01 RMM: 5 -0.365121868859E+03 0.89349E-04 -0.25044E-04 3905 0.456E-02 0.115E-01 RMM: 6 -0.365121827908E+03 0.40951E-04 -0.16069E-04 3875 0.347E-02 0.101E-01 RMM: 7 -0.365121871874E+03 -0.43966E-04 -0.11903E-04 3877 0.302E-02 0.133E-01 RMM: 8 -0.365121756272E+03 0.11560E-03 -0.61936E-05 3445 0.232E-02 0.413E-02 RMM: 9 -0.365121750528E+03 0.57433E-05 -0.15713E-05 2506 0.114E-02 6801 T= 6936. E= 0.69102841E+03 F= 0.63364734E+03 E0= 0.66312810E+03 EK= 0.57381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364989347973E+03 0.13241E+00 -0.18364E-01 8376 0.249E+01 0.278E-01 RMM: 2 -0.365010841562E+03 -0.21494E-01 -0.77363E-02 5351 0.676E-01 0.152E+00 RMM: 3 -0.364995273628E+03 0.15568E-01 -0.94987E-03 5350 0.230E-01 0.300E-01 RMM: 4 -0.364994670670E+03 0.60296E-03 -0.12373E-03 4617 0.768E-02 0.120E-01 RMM: 5 -0.364994607080E+03 0.63590E-04 -0.23697E-04 3894 0.434E-02 0.114E-01 RMM: 6 -0.364994529347E+03 0.77733E-04 -0.84058E-05 3668 0.260E-02 0.620E-02 RMM: 7 -0.364994557093E+03 -0.27746E-04 -0.66594E-05 3489 0.215E-02 0.102E-01 RMM: 8 -0.364994490554E+03 0.66539E-04 -0.36144E-05 2942 0.193E-02 0.259E-02 RMM: 9 -0.364994487638E+03 0.29158E-05 -0.97498E-06 2449 0.881E-03 6802 T= 7360. E= 0.69450354E+03 F= 0.63361685E+03 E0= 0.66307641E+03 EK= 0.60887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364815325760E+03 0.17916E+00 -0.18941E-01 8208 0.253E+01 0.228E-01 RMM: 2 -0.364829136622E+03 -0.13811E-01 -0.85077E-02 5284 0.695E-01 0.104E+00 RMM: 3 -0.364821957868E+03 0.71788E-02 -0.81951E-03 5441 0.196E-01 0.209E-01 RMM: 4 -0.364821700737E+03 0.25713E-03 -0.78208E-04 4655 0.608E-02 0.128E-01 RMM: 5 -0.364821576336E+03 0.12440E-03 -0.21850E-04 3888 0.417E-02 0.947E-02 RMM: 6 -0.364821603927E+03 -0.27592E-04 -0.13022E-04 3874 0.303E-02 0.123E-01 RMM: 7 -0.364821566854E+03 0.37074E-04 -0.90240E-05 3734 0.263E-02 0.108E-01 RMM: 8 -0.364821490638E+03 0.76215E-04 -0.44095E-05 3171 0.197E-02 0.316E-02 RMM: 9 -0.364821489161E+03 0.14773E-05 -0.13988E-05 2476 0.106E-02 6803 T= 7407. E= 0.69490722E+03 F= 0.63363158E+03 E0= 0.66308783E+03 EK= 0.61276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364588621240E+03 0.23287E+00 -0.18222E-01 8004 0.250E+01 0.235E-01 RMM: 2 -0.364602340765E+03 -0.13720E-01 -0.83787E-02 5121 0.687E-01 0.104E+00 RMM: 3 -0.364595022713E+03 0.73181E-02 -0.85088E-03 5464 0.200E-01 0.186E-01 RMM: 4 -0.364594914818E+03 0.10790E-03 -0.84106E-04 4632 0.657E-02 0.171E-01 RMM: 5 -0.364594762145E+03 0.15267E-03 -0.22802E-04 3916 0.413E-02 0.113E-01 RMM: 6 -0.364594700936E+03 0.61209E-04 -0.10240E-04 3706 0.282E-02 0.689E-02 RMM: 7 -0.364594744806E+03 -0.43870E-04 -0.69802E-05 3519 0.229E-02 0.112E-01 RMM: 8 -0.364594661534E+03 0.83272E-04 -0.38085E-05 3066 0.195E-02 0.253E-02 RMM: 9 -0.364594660205E+03 0.13290E-05 -0.96603E-06 2460 0.859E-03 6804 T= 7052. E= 0.69203223E+03 F= 0.63369541E+03 E0= 0.66316503E+03 EK= 0.58337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364346217075E+03 0.24844E+00 -0.16626E-01 7884 0.241E+01 0.216E-01 RMM: 2 -0.364355093241E+03 -0.88762E-02 -0.74026E-02 5154 0.623E-01 0.664E-01 RMM: 3 -0.364351724056E+03 0.33692E-02 -0.63967E-03 5515 0.168E-01 0.153E-01 RMM: 4 -0.364351935769E+03 -0.21171E-03 -0.79073E-04 4628 0.690E-02 0.254E-01 RMM: 5 -0.364351521985E+03 0.41378E-03 -0.26397E-04 3933 0.426E-02 0.881E-02 RMM: 6 -0.364351500904E+03 0.21082E-04 -0.82667E-05 3586 0.251E-02 0.750E-02 RMM: 7 -0.364351506367E+03 -0.54637E-05 -0.52821E-05 3291 0.210E-02 6805 T= 6476. E= 0.68733818E+03 F= 0.63376678E+03 E0= 0.66326319E+03 EK= 0.53571E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364143015935E+03 0.20848E+00 -0.15392E-01 7848 0.230E+01 0.260E-01 RMM: 2 -0.364152517221E+03 -0.95013E-02 -0.71140E-02 5088 0.625E-01 0.801E-01 RMM: 3 -0.364148031174E+03 0.44860E-02 -0.69567E-03 5531 0.178E-01 0.195E-01 RMM: 4 -0.364148339126E+03 -0.30795E-03 -0.10406E-03 4658 0.781E-02 0.310E-01 RMM: 5 -0.364147751126E+03 0.58800E-03 -0.34252E-04 4107 0.479E-02 0.113E-01 RMM: 6 -0.364147683985E+03 0.67141E-04 -0.79661E-05 3570 0.250E-02 0.611E-02 RMM: 7 -0.364147713117E+03 -0.29132E-04 -0.72707E-05 3601 0.225E-02 0.983E-02 RMM: 8 -0.364147649657E+03 0.63460E-04 -0.37183E-05 3066 0.190E-02 0.215E-02 RMM: 9 -0.364147651887E+03 -0.22301E-05 -0.96315E-06 2462 0.862E-03 6806 T= 5922. E= 0.68277599E+03 F= 0.63378758E+03 E0= 0.66332219E+03 EK= 0.48988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364024666767E+03 0.12298E+00 -0.14054E-01 8160 0.222E+01 0.235E-01 RMM: 2 -0.364032377980E+03 -0.77112E-02 -0.65067E-02 5070 0.583E-01 0.652E-01 RMM: 3 -0.364029198624E+03 0.31794E-02 -0.61461E-03 5497 0.169E-01 0.157E-01 RMM: 4 -0.364029587935E+03 -0.38931E-03 -0.77381E-04 4627 0.666E-02 0.302E-01 RMM: 5 -0.364029014635E+03 0.57330E-03 -0.25849E-04 3937 0.422E-02 0.940E-02 RMM: 6 -0.364028964885E+03 0.49750E-04 -0.74979E-05 3509 0.244E-02 0.448E-02 RMM: 7 -0.364028972490E+03 -0.76053E-05 -0.28817E-05 2676 0.160E-02 6807 T= 5562. E= 0.67972430E+03 F= 0.63371201E+03 E0= 0.66329060E+03 EK= 0.46012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364010983455E+03 0.17981E-01 -0.13341E-01 8196 0.218E+01 0.236E-01 RMM: 2 -0.364017264305E+03 -0.62808E-02 -0.55669E-02 5219 0.537E-01 0.583E-01 RMM: 3 -0.364014739544E+03 0.25248E-02 -0.47027E-03 5580 0.145E-01 0.186E-01 RMM: 4 -0.364015033185E+03 -0.29364E-03 -0.81678E-04 4624 0.697E-02 0.298E-01 RMM: 5 -0.364014456603E+03 0.57658E-03 -0.33211E-04 3992 0.480E-02 0.846E-02 RMM: 6 -0.364014444577E+03 0.12026E-04 -0.75322E-05 3543 0.243E-02 6808 T= 5474. E= 0.67881237E+03 F= 0.63352385E+03 E0= 0.66315120E+03 EK= 0.45289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364092833489E+03 -0.78377E-01 -0.13306E-01 8328 0.220E+01 0.321E-01 RMM: 2 -0.364114450765E+03 -0.21617E-01 -0.60215E-02 5161 0.573E-01 0.164E+00 RMM: 3 -0.364096677174E+03 0.17774E-01 -0.98624E-03 5345 0.242E-01 0.277E-01 RMM: 4 -0.364096310824E+03 0.36635E-03 -0.12319E-03 4644 0.741E-02 0.178E-01 RMM: 5 -0.364096219374E+03 0.91449E-04 -0.35817E-04 4336 0.511E-02 0.164E-01 RMM: 6 -0.364096067614E+03 0.15176E-03 -0.14308E-04 3877 0.325E-02 0.687E-02 RMM: 7 -0.364096121033E+03 -0.53418E-04 -0.76695E-05 3570 0.242E-02 0.117E-01 RMM: 8 -0.364096032018E+03 0.89015E-04 -0.41283E-05 3148 0.206E-02 0.342E-02 RMM: 9 -0.364096027324E+03 0.46935E-05 -0.10989E-05 2473 0.962E-03 6809 T= 5672. E= 0.68015437E+03 F= 0.63323569E+03 E0= 0.66291425E+03 EK= 0.46919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364233031065E+03 -0.13700E+00 -0.13772E-01 8484 0.226E+01 0.317E-01 RMM: 2 -0.364256167650E+03 -0.23137E-01 -0.62652E-02 5233 0.589E-01 0.169E+00 RMM: 3 -0.364237180102E+03 0.18988E-01 -0.10169E-02 5354 0.249E-01 0.322E-01 RMM: 4 -0.364236510648E+03 0.66945E-03 -0.13190E-03 4640 0.782E-02 0.119E-01 RMM: 5 -0.364236534297E+03 -0.23649E-04 -0.30869E-04 4153 0.485E-02 0.161E-01 RMM: 6 -0.364236376630E+03 0.15767E-03 -0.12852E-04 3865 0.319E-02 0.592E-02 RMM: 7 -0.364236426505E+03 -0.49875E-04 -0.72046E-05 3521 0.230E-02 0.108E-01 RMM: 8 -0.364236352108E+03 0.74397E-04 -0.35292E-05 3036 0.194E-02 0.300E-02 RMM: 9 -0.364236347007E+03 0.51004E-05 -0.64630E-06 2455 0.738E-03 6810 T= 6111. E= 0.68344647E+03 F= 0.63288957E+03 E0= 0.66262032E+03 EK= 0.50557E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364367524131E+03 -0.13117E+00 -0.15373E-01 8592 0.236E+01 0.237E-01 RMM: 2 -0.364382193570E+03 -0.14669E-01 -0.73559E-02 5157 0.638E-01 0.116E+00 RMM: 3 -0.364373121482E+03 0.90721E-02 -0.77394E-03 5437 0.197E-01 0.217E-01 RMM: 4 -0.364372848733E+03 0.27275E-03 -0.79252E-04 4653 0.604E-02 0.132E-01 RMM: 5 -0.364372755853E+03 0.92880E-04 -0.34244E-04 4416 0.534E-02 0.119E-01 RMM: 6 -0.364372734318E+03 0.21535E-04 -0.15663E-04 3881 0.326E-02 0.111E-01 RMM: 7 -0.364372729779E+03 0.45395E-05 -0.84134E-05 3686 0.263E-02 6811 T= 6678. E= 0.68779884E+03 F= 0.63255118E+03 E0= 0.66233297E+03 EK= 0.55248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364427202443E+03 -0.54468E-01 -0.16967E-01 8580 0.245E+01 0.197E-01 RMM: 2 -0.364436432991E+03 -0.92305E-02 -0.78243E-02 5208 0.657E-01 0.656E-01 RMM: 3 -0.364433471088E+03 0.29619E-02 -0.71884E-03 5760 0.164E-01 0.165E-01 RMM: 4 -0.364433296366E+03 0.17472E-03 -0.52582E-04 4600 0.563E-02 0.158E-01 RMM: 5 -0.364433116484E+03 0.17988E-03 -0.32378E-04 4308 0.507E-02 0.961E-02 RMM: 6 -0.364433288484E+03 -0.17200E-03 -0.22411E-04 3886 0.386E-02 0.190E-01 RMM: 7 -0.364433085234E+03 0.20325E-03 -0.10385E-04 3795 0.305E-02 0.845E-02 RMM: 8 -0.364433041198E+03 0.44036E-04 -0.28320E-05 2877 0.154E-02 0.331E-02 RMM: 9 -0.364433043714E+03 -0.25160E-05 -0.23047E-05 2522 0.138E-02 6812 T= 7171. E= 0.69161351E+03 F= 0.63229290E+03 E0= 0.66212329E+03 EK= 0.59321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364357299272E+03 0.75742E-01 -0.18015E-01 8172 0.250E+01 0.201E-01 RMM: 2 -0.364369774484E+03 -0.12475E-01 -0.87266E-02 5098 0.702E-01 0.902E-01 RMM: 3 -0.364364316645E+03 0.54578E-02 -0.87731E-03 5681 0.190E-01 0.191E-01 RMM: 4 -0.364364035933E+03 0.28071E-03 -0.64551E-04 4648 0.579E-02 0.121E-01 RMM: 5 -0.364363947409E+03 0.88524E-04 -0.20597E-04 3898 0.417E-02 0.937E-02 RMM: 6 -0.364363931522E+03 0.15887E-04 -0.11218E-04 3830 0.290E-02 6813 T= 7365. E= 0.69309597E+03 F= 0.63216549E+03 E0= 0.66203630E+03 EK= 0.60930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364155951633E+03 0.20800E+00 -0.18132E-01 8160 0.249E+01 0.346E-01 RMM: 2 -0.364182269103E+03 -0.26317E-01 -0.79406E-02 5224 0.659E-01 0.179E+00 RMM: 3 -0.364160923114E+03 0.21346E-01 -0.11269E-02 5364 0.254E-01 0.259E-01 RMM: 4 -0.364160834615E+03 0.88499E-04 -0.15819E-03 4739 0.874E-02 0.255E-01 RMM: 5 -0.364160580747E+03 0.25387E-03 -0.51518E-04 4575 0.601E-02 0.195E-01 RMM: 6 -0.364160362266E+03 0.21848E-03 -0.19870E-04 3888 0.365E-02 0.828E-02 RMM: 7 -0.364160431956E+03 -0.69691E-04 -0.11927E-04 3853 0.297E-02 0.136E-01 RMM: 8 -0.364160316050E+03 0.11591E-03 -0.60741E-05 3441 0.236E-02 0.436E-02 RMM: 9 -0.364160307277E+03 0.87737E-05 -0.12842E-05 2505 0.105E-02 6814 T= 7164. E= 0.69143548E+03 F= 0.63216949E+03 E0= 0.66207321E+03 EK= 0.59266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363869374448E+03 0.29094E+00 -0.17082E-01 7572 0.243E+01 0.314E-01 RMM: 2 -0.363897146024E+03 -0.27772E-01 -0.75912E-02 5180 0.640E-01 0.184E+00 RMM: 3 -0.363874339990E+03 0.22806E-01 -0.10963E-02 5363 0.252E-01 0.239E-01 RMM: 4 -0.363874138856E+03 0.20113E-03 -0.14149E-03 4727 0.812E-02 0.199E-01 RMM: 5 -0.363874063781E+03 0.75075E-04 -0.32802E-04 4191 0.481E-02 0.186E-01 RMM: 6 -0.363873848104E+03 0.21568E-03 -0.14428E-04 3865 0.330E-02 0.512E-02 RMM: 7 -0.363873897243E+03 -0.49139E-04 -0.66841E-05 3464 0.220E-02 0.105E-01 RMM: 8 -0.363873827317E+03 0.69926E-04 -0.33639E-05 2965 0.191E-02 0.330E-02 RMM: 9 -0.363873821298E+03 0.60182E-05 -0.83053E-06 2457 0.827E-03 6815 T= 6675. E= 0.68747128E+03 F= 0.63224838E+03 E0= 0.66217542E+03 EK= 0.55223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363584302876E+03 0.28952E+00 -0.15656E-01 7764 0.233E+01 0.325E-01 RMM: 2 -0.363599534118E+03 -0.15231E-01 -0.76610E-02 5125 0.654E-01 0.125E+00 RMM: 3 -0.363589228196E+03 0.10306E-01 -0.93223E-03 5398 0.220E-01 0.235E-01 RMM: 4 -0.363589583204E+03 -0.35501E-03 -0.15826E-03 4767 0.920E-02 0.342E-01 RMM: 5 -0.363588948514E+03 0.63469E-03 -0.41025E-04 4276 0.516E-02 0.164E-01 RMM: 6 -0.363588777356E+03 0.17116E-03 -0.11554E-04 3811 0.290E-02 0.524E-02 RMM: 7 -0.363588814560E+03 -0.37204E-04 -0.64033E-05 3433 0.214E-02 0.978E-02 RMM: 8 -0.363588753224E+03 0.61336E-04 -0.36175E-05 3010 0.191E-02 0.320E-02 RMM: 9 -0.363588749699E+03 0.35247E-05 -0.11594E-05 2474 0.976E-03 6816 T= 6124. E= 0.68297951E+03 F= 0.63231441E+03 E0= 0.66225621E+03 EK= 0.50665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363382688501E+03 0.20606E+00 -0.14567E-01 7824 0.224E+01 0.290E-01 RMM: 2 -0.363391940014E+03 -0.92515E-02 -0.64897E-02 5226 0.595E-01 0.868E-01 RMM: 3 -0.363386919653E+03 0.50204E-02 -0.64377E-03 5458 0.171E-01 0.228E-01 RMM: 4 -0.363387373461E+03 -0.45381E-03 -0.13747E-03 4673 0.896E-02 0.359E-01 RMM: 5 -0.363386562712E+03 0.81075E-03 -0.46713E-04 4295 0.556E-02 0.114E-01 RMM: 6 -0.363386490343E+03 0.72369E-04 -0.77929E-05 3549 0.238E-02 0.552E-02 RMM: 7 -0.363386516007E+03 -0.25664E-04 -0.48650E-05 3197 0.192E-02 0.910E-02 RMM: 8 -0.363386461433E+03 0.54574E-04 -0.31456E-05 2893 0.181E-02 0.228E-02 RMM: 9 -0.363386463840E+03 -0.24074E-05 -0.99722E-06 2461 0.869E-03 6817 T= 5708. E= 0.67950950E+03 F= 0.63228537E+03 E0= 0.66223541E+03 EK= 0.47224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363319873451E+03 0.66588E-01 -0.13465E-01 8076 0.219E+01 0.281E-01 RMM: 2 -0.363326959947E+03 -0.70865E-02 -0.53321E-02 5188 0.548E-01 0.769E-01 RMM: 3 -0.363323138110E+03 0.38218E-02 -0.56297E-03 5403 0.164E-01 0.214E-01 RMM: 4 -0.363323655163E+03 -0.51705E-03 -0.11818E-03 4625 0.827E-02 0.358E-01 RMM: 5 -0.363322860159E+03 0.79500E-03 -0.41177E-04 4117 0.518E-02 0.123E-01 RMM: 6 -0.363322769314E+03 0.90845E-04 -0.83536E-05 3610 0.252E-02 0.515E-02 RMM: 7 -0.363322797807E+03 -0.28493E-04 -0.49201E-05 3216 0.194E-02 0.900E-02 RMM: 8 -0.363322743259E+03 0.54547E-04 -0.29156E-05 2872 0.177E-02 0.220E-02 RMM: 9 -0.363322744790E+03 -0.15308E-05 -0.95727E-06 2459 0.860E-03 6818 T= 5536. E= 0.67790625E+03 F= 0.63210779E+03 E0= 0.66206151E+03 EK= 0.45798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363415312133E+03 -0.92569E-01 -0.13021E-01 7872 0.218E+01 0.256E-01 RMM: 2 -0.363421883384E+03 -0.65713E-02 -0.45660E-02 5217 0.510E-01 0.768E-01 RMM: 3 -0.363418126126E+03 0.37573E-02 -0.46959E-03 5430 0.146E-01 0.200E-01 RMM: 4 -0.363418474985E+03 -0.34886E-03 -0.10136E-03 4617 0.781E-02 0.313E-01 RMM: 5 -0.363417855215E+03 0.61977E-03 -0.37180E-04 4034 0.498E-02 0.105E-01 RMM: 6 -0.363417805336E+03 0.49879E-04 -0.92215E-05 3650 0.266E-02 0.665E-02 RMM: 7 -0.363417822345E+03 -0.17008E-04 -0.41039E-05 3100 0.188E-02 6819 T= 5641. E= 0.67843192E+03 F= 0.63176616E+03 E0= 0.66172032E+03 EK= 0.46666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363649652509E+03 -0.23185E+00 -0.13612E-01 8028 0.223E+01 0.249E-01 RMM: 2 -0.363656190331E+03 -0.65378E-02 -0.49337E-02 5197 0.537E-01 0.727E-01 RMM: 3 -0.363652876469E+03 0.33139E-02 -0.51029E-03 5426 0.149E-01 0.185E-01 RMM: 4 -0.363653093094E+03 -0.21662E-03 -0.85972E-04 4616 0.723E-02 0.280E-01 RMM: 5 -0.363652608271E+03 0.48482E-03 -0.42944E-04 4433 0.559E-02 0.110E-01 RMM: 6 -0.363652586319E+03 0.21952E-04 -0.11764E-04 3823 0.283E-02 0.993E-02 RMM: 7 -0.363652561228E+03 0.25091E-04 -0.73087E-05 3651 0.258E-02 0.877E-02 RMM: 8 -0.363652511446E+03 0.49783E-04 -0.27912E-05 2922 0.166E-02 0.259E-02 RMM: 9 -0.363652516865E+03 -0.54195E-05 -0.10712E-05 2479 0.933E-03 6820 T= 5999. E= 0.68091461E+03 F= 0.63128504E+03 E0= 0.66123820E+03 EK= 0.49630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363962476681E+03 -0.30997E+00 -0.14721E-01 8184 0.231E+01 0.213E-01 RMM: 2 -0.363970386366E+03 -0.79097E-02 -0.54906E-02 5197 0.579E-01 0.791E-01 RMM: 3 -0.363966389752E+03 0.39966E-02 -0.55510E-03 5396 0.159E-01 0.167E-01 RMM: 4 -0.363966311748E+03 0.78004E-04 -0.59618E-04 4592 0.568E-02 0.159E-01 RMM: 5 -0.363966186778E+03 0.12497E-03 -0.31733E-04 4291 0.502E-02 0.123E-01 RMM: 6 -0.363966137339E+03 0.49438E-04 -0.15909E-04 3873 0.338E-02 0.897E-02 RMM: 7 -0.363966117901E+03 0.19438E-04 -0.52076E-05 3354 0.230E-02 6821 T= 6520. E= 0.68466568E+03 F= 0.63072914E+03 E0= 0.66067984E+03 EK= 0.53937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364259799968E+03 -0.29366E+00 -0.15925E-01 8112 0.240E+01 0.236E-01 RMM: 2 -0.364267717411E+03 -0.79174E-02 -0.62750E-02 5271 0.617E-01 0.747E-01 RMM: 3 -0.364264337347E+03 0.33801E-02 -0.58326E-03 5465 0.157E-01 0.193E-01 RMM: 4 -0.364264227417E+03 0.10993E-03 -0.64038E-04 4609 0.623E-02 0.196E-01 RMM: 5 -0.364263957478E+03 0.26994E-03 -0.61201E-04 4598 0.707E-02 0.104E-01 RMM: 6 -0.364264116356E+03 -0.15888E-03 -0.22568E-04 3886 0.384E-02 0.190E-01 RMM: 7 -0.364263916667E+03 0.19969E-03 -0.12217E-04 3837 0.343E-02 0.869E-02 RMM: 8 -0.364263870223E+03 0.46444E-04 -0.30874E-05 2966 0.165E-02 0.347E-02 RMM: 9 -0.364263874080E+03 -0.38563E-05 -0.21985E-05 2524 0.139E-02 6822 T= 7027. E= 0.68833017E+03 F= 0.63019429E+03 E0= 0.66014162E+03 EK= 0.58136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364437712910E+03 -0.17384E+00 -0.16780E-01 8172 0.246E+01 0.187E-01 RMM: 2 -0.364445284615E+03 -0.75717E-02 -0.61970E-02 5310 0.626E-01 0.685E-01 RMM: 3 -0.364442446347E+03 0.28383E-02 -0.55183E-03 5530 0.151E-01 0.150E-01 RMM: 4 -0.364442323267E+03 0.12308E-03 -0.45095E-04 4465 0.517E-02 0.140E-01 RMM: 5 -0.364442185929E+03 0.13734E-03 -0.21352E-04 3872 0.415E-02 0.888E-02 RMM: 6 -0.364442267214E+03 -0.81284E-04 -0.17525E-04 3876 0.353E-02 0.146E-01 RMM: 7 -0.364442135746E+03 0.13147E-03 -0.75769E-05 3514 0.265E-02 0.542E-02 RMM: 8 -0.364442118464E+03 0.17281E-04 -0.13385E-05 2511 0.108E-02 6823 T= 7301. E= 0.69018285E+03 F= 0.62978194E+03 E0= 0.65972423E+03 EK= 0.60401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364424603372E+03 0.17532E-01 -0.17172E-01 7524 0.246E+01 0.239E-01 RMM: 2 -0.364431180849E+03 -0.65775E-02 -0.57428E-02 5302 0.576E-01 0.631E-01 RMM: 3 -0.364428636758E+03 0.25441E-02 -0.48849E-03 5481 0.145E-01 0.191E-01 RMM: 4 -0.364428800481E+03 -0.16372E-03 -0.85518E-04 4611 0.745E-02 0.275E-01 RMM: 5 -0.364428329317E+03 0.47116E-03 -0.49864E-04 4573 0.609E-02 0.123E-01 RMM: 6 -0.364428354011E+03 -0.24694E-04 -0.21906E-04 3886 0.379E-02 0.141E-01 RMM: 7 -0.364428261605E+03 0.92406E-04 -0.10344E-04 3834 0.319E-02 0.883E-02 RMM: 8 -0.364428214906E+03 0.46699E-04 -0.21895E-05 2651 0.143E-02 0.315E-02 RMM: 9 -0.364428217210E+03 -0.23041E-05 -0.15697E-05 2483 0.113E-02 6824 T= 7201. E= 0.68913517E+03 F= 0.62955995E+03 E0= 0.65949765E+03 EK= 0.59575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364206790070E+03 0.22142E+00 -0.16630E-01 6996 0.241E+01 0.227E-01 RMM: 2 -0.364214642502E+03 -0.78524E-02 -0.51435E-02 5262 0.555E-01 0.811E-01 RMM: 3 -0.364210308552E+03 0.43339E-02 -0.47411E-03 5429 0.150E-01 0.182E-01 RMM: 4 -0.364210339694E+03 -0.31142E-04 -0.73614E-04 4609 0.658E-02 0.217E-01 RMM: 5 -0.364210059388E+03 0.28031E-03 -0.36037E-04 4434 0.531E-02 0.110E-01 RMM: 6 -0.364210041492E+03 0.17896E-04 -0.12359E-04 3852 0.294E-02 6825 T= 6779. E= 0.68561493E+03 F= 0.62953493E+03 E0= 0.65947021E+03 EK= 0.56080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363837031075E+03 0.37303E+00 -0.15690E-01 7116 0.232E+01 0.358E-01 RMM: 2 -0.363850849778E+03 -0.13819E-01 -0.57433E-02 5138 0.574E-01 0.127E+00 RMM: 3 -0.363840230558E+03 0.10619E-01 -0.89132E-03 5333 0.224E-01 0.291E-01 RMM: 4 -0.363840481995E+03 -0.25144E-03 -0.17017E-03 4844 0.963E-02 0.360E-01 RMM: 5 -0.363839830432E+03 0.65156E-03 -0.62003E-04 4606 0.658E-02 0.208E-01 RMM: 6 -0.363839577914E+03 0.25252E-03 -0.23401E-04 3899 0.405E-02 0.847E-02 RMM: 7 -0.363839649016E+03 -0.71102E-04 -0.10880E-04 3828 0.283E-02 0.138E-01 RMM: 8 -0.363839524133E+03 0.12488E-03 -0.57994E-05 3414 0.232E-02 0.417E-02 RMM: 9 -0.363839517786E+03 0.63473E-05 -0.13383E-05 2515 0.106E-02 6826 T= 6233. E= 0.68121214E+03 F= 0.62965062E+03 E0= 0.65958295E+03 EK= 0.51562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363396729991E+03 0.44279E+00 -0.14493E-01 6960 0.222E+01 0.380E-01 RMM: 2 -0.363415855025E+03 -0.19125E-01 -0.55271E-02 5100 0.584E-01 0.160E+00 RMM: 3 -0.363399443761E+03 0.16411E-01 -0.10777E-02 5337 0.259E-01 0.340E-01 RMM: 4 -0.363399174916E+03 0.26885E-03 -0.18831E-03 4920 0.992E-02 0.295E-01 RMM: 5 -0.363398920502E+03 0.25441E-03 -0.41672E-04 4407 0.533E-02 0.228E-01 RMM: 6 -0.363398585318E+03 0.33518E-03 -0.15313E-04 3877 0.344E-02 0.521E-02 RMM: 7 -0.363398590217E+03 -0.48990E-05 -0.44156E-05 3135 0.188E-02 6827 T= 5771. E= 0.67756282E+03 F= 0.62982351E+03 E0= 0.65975800E+03 EK= 0.47739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362964857075E+03 0.43373E+00 -0.13582E-01 7176 0.216E+01 0.335E-01 RMM: 2 -0.362975887899E+03 -0.11031E-01 -0.47744E-02 5207 0.518E-01 0.116E+00 RMM: 3 -0.362967172249E+03 0.87157E-02 -0.60135E-03 5351 0.180E-01 0.234E-01 RMM: 4 -0.362968031172E+03 -0.85892E-03 -0.16914E-03 4755 0.988E-02 0.440E-01 RMM: 5 -0.362966877866E+03 0.11533E-02 -0.63772E-04 4564 0.673E-02 0.163E-01 RMM: 6 -0.362966717924E+03 0.15994E-03 -0.13992E-04 3880 0.304E-02 0.670E-02 RMM: 7 -0.362966758860E+03 -0.40936E-04 -0.77087E-05 3546 0.240E-02 0.113E-01 RMM: 8 -0.362966677778E+03 0.81082E-04 -0.39583E-05 3123 0.198E-02 0.301E-02 RMM: 9 -0.362966678630E+03 -0.85181E-06 -0.11493E-05 2484 0.941E-03 6828 T= 5525. E= 0.67568085E+03 F= 0.62997633E+03 E0= 0.65991710E+03 EK= 0.45705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362601078448E+03 0.36560E+00 -0.13436E-01 7464 0.214E+01 0.277E-01 RMM: 2 -0.362607293932E+03 -0.62155E-02 -0.43102E-02 5091 0.488E-01 0.777E-01 RMM: 3 -0.362603359043E+03 0.39349E-02 -0.46836E-03 5373 0.155E-01 0.197E-01 RMM: 4 -0.362604046657E+03 -0.68761E-03 -0.11617E-03 4628 0.854E-02 0.387E-01 RMM: 5 -0.362603091943E+03 0.95471E-03 -0.45008E-04 4382 0.558E-02 0.982E-02 RMM: 6 -0.362603060876E+03 0.31066E-04 -0.10046E-04 3783 0.264E-02 0.769E-02 RMM: 7 -0.362603066228E+03 -0.53517E-05 -0.43672E-05 3150 0.192E-02 6829 T= 5550. E= 0.67596934E+03 F= 0.63005504E+03 E0= 0.66000717E+03 EK= 0.45914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362338046740E+03 0.26501E+00 -0.13846E-01 8016 0.218E+01 0.282E-01 RMM: 2 -0.362344476633E+03 -0.64299E-02 -0.48665E-02 5081 0.527E-01 0.748E-01 RMM: 3 -0.362341041604E+03 0.34350E-02 -0.52623E-03 5397 0.156E-01 0.220E-01 RMM: 4 -0.362341598900E+03 -0.55730E-03 -0.11856E-03 4637 0.850E-02 0.380E-01 RMM: 5 -0.362340712769E+03 0.88613E-03 -0.57481E-04 4575 0.639E-02 0.129E-01 RMM: 6 -0.362340652924E+03 0.59845E-04 -0.15054E-04 3881 0.314E-02 0.944E-02 RMM: 7 -0.362340649395E+03 0.35297E-05 -0.71064E-05 3577 0.251E-02 6830 T= 5846. E= 0.67839780E+03 F= 0.63003329E+03 E0= 0.66000191E+03 EK= 0.48365E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362181083237E+03 0.15957E+00 -0.15052E-01 8004 0.226E+01 0.248E-01 RMM: 2 -0.362188154283E+03 -0.70710E-02 -0.52938E-02 5111 0.557E-01 0.739E-01 RMM: 3 -0.362184646121E+03 0.35082E-02 -0.53211E-03 5447 0.153E-01 0.179E-01 RMM: 4 -0.362184900027E+03 -0.25391E-03 -0.97752E-04 4618 0.792E-02 0.294E-01 RMM: 5 -0.362184382595E+03 0.51743E-03 -0.52254E-04 4569 0.623E-02 0.123E-01 RMM: 6 -0.362184392283E+03 -0.96882E-05 -0.18902E-04 3884 0.354E-02 6831 T= 6353. E= 0.68247030E+03 F= 0.62991156E+03 E0= 0.65990278E+03 EK= 0.52559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362111024868E+03 0.73358E-01 -0.16976E-01 8112 0.236E+01 0.343E-01 RMM: 2 -0.362135629623E+03 -0.24605E-01 -0.76129E-02 5080 0.694E-01 0.173E+00 RMM: 3 -0.362116320860E+03 0.19309E-01 -0.12702E-02 5343 0.275E-01 0.315E-01 RMM: 4 -0.362115726186E+03 0.59467E-03 -0.13667E-03 4688 0.763E-02 0.157E-01 RMM: 5 -0.362115677850E+03 0.48336E-04 -0.60080E-04 4608 0.696E-02 0.189E-01 RMM: 6 -0.362115533180E+03 0.14467E-03 -0.39819E-04 4519 0.541E-02 0.124E-01 RMM: 7 -0.362115627931E+03 -0.94751E-04 -0.16832E-04 3884 0.348E-02 0.176E-01 RMM: 8 -0.362115431097E+03 0.19683E-03 -0.97713E-05 3748 0.303E-02 0.460E-02 RMM: 9 -0.362115422987E+03 0.81093E-05 -0.14969E-05 2530 0.113E-02 6832 T= 6926. E= 0.68700690E+03 F= 0.62971101E+03 E0= 0.65972397E+03 EK= 0.57296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362098944173E+03 0.16487E-01 -0.17656E-01 7872 0.245E+01 0.368E-01 RMM: 2 -0.362132502938E+03 -0.33559E-01 -0.77702E-02 5150 0.695E-01 0.209E+00 RMM: 3 -0.362104091868E+03 0.28411E-01 -0.13098E-02 5335 0.285E-01 0.368E-01 RMM: 4 -0.362103225432E+03 0.86644E-03 -0.18026E-03 4791 0.910E-02 0.162E-01 RMM: 5 -0.362103340518E+03 -0.11509E-03 -0.50367E-04 4554 0.602E-02 0.228E-01 RMM: 6 -0.362103014439E+03 0.32608E-03 -0.24788E-04 3887 0.432E-02 0.690E-02 RMM: 7 -0.362103095661E+03 -0.81223E-04 -0.11761E-04 3800 0.294E-02 0.134E-01 RMM: 8 -0.362102985018E+03 0.11064E-03 -0.51253E-05 3350 0.221E-02 0.398E-02 RMM: 9 -0.362102975482E+03 0.95352E-05 -0.88575E-06 2477 0.878E-03 6833 T= 7340. E= 0.69018479E+03 F= 0.62946063E+03 E0= 0.65949707E+03 EK= 0.60724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362117630005E+03 -0.14645E-01 -0.18361E-01 7788 0.248E+01 0.285E-01 RMM: 2 -0.362133742666E+03 -0.16113E-01 -0.80808E-02 5108 0.695E-01 0.124E+00 RMM: 3 -0.362123618060E+03 0.10125E-01 -0.94249E-03 5378 0.218E-01 0.249E-01 RMM: 4 -0.362123388937E+03 0.22912E-03 -0.11243E-03 4676 0.759E-02 0.209E-01 RMM: 5 -0.362123208261E+03 0.18068E-03 -0.69117E-04 4608 0.749E-02 0.181E-01 RMM: 6 -0.362123131316E+03 0.76946E-04 -0.29496E-04 3954 0.445E-02 0.147E-01 RMM: 7 -0.362123089007E+03 0.42308E-04 -0.16570E-04 3880 0.384E-02 0.128E-01 RMM: 8 -0.362122984613E+03 0.10439E-03 -0.60161E-05 3417 0.231E-02 0.368E-02 RMM: 9 -0.362122984380E+03 0.23237E-06 -0.13118E-05 2508 0.104E-02 6834 T= 7397. E= 0.69037097E+03 F= 0.62917931E+03 E0= 0.65923489E+03 EK= 0.61192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362167778859E+03 -0.44794E-01 -0.18218E-01 7740 0.245E+01 0.280E-01 RMM: 2 -0.362180714366E+03 -0.12936E-01 -0.73871E-02 4980 0.665E-01 0.110E+00 RMM: 3 -0.362172928797E+03 0.77856E-02 -0.84954E-03 5404 0.205E-01 0.199E-01 RMM: 4 -0.362173066308E+03 -0.13751E-03 -0.11073E-03 4668 0.782E-02 0.271E-01 RMM: 5 -0.362172726882E+03 0.33943E-03 -0.49881E-04 4569 0.613E-02 0.173E-01 RMM: 6 -0.362172576633E+03 0.15025E-03 -0.19829E-04 3876 0.367E-02 0.871E-02 RMM: 7 -0.362172622486E+03 -0.45853E-04 -0.87341E-05 3635 0.271E-02 0.126E-01 RMM: 8 -0.362172521044E+03 0.10144E-03 -0.42084E-05 3182 0.201E-02 0.288E-02 RMM: 9 -0.362172521042E+03 0.18608E-08 -0.97128E-06 2475 0.889E-03 6835 T= 7068. E= 0.68733464E+03 F= 0.62886306E+03 E0= 0.65893063E+03 EK= 0.58472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362269043775E+03 -0.96523E-01 -0.17859E-01 7608 0.237E+01 0.314E-01 RMM: 2 -0.362279726458E+03 -0.10683E-01 -0.77202E-02 4940 0.679E-01 0.899E-01 RMM: 3 -0.362274189555E+03 0.55369E-02 -0.89312E-03 5427 0.208E-01 0.251E-01 RMM: 4 -0.362274536828E+03 -0.34727E-03 -0.15351E-03 4921 0.954E-02 0.359E-01 RMM: 5 -0.362273842254E+03 0.69457E-03 -0.62264E-04 4592 0.669E-02 0.182E-01 RMM: 6 -0.362273658872E+03 0.18338E-03 -0.17128E-04 3888 0.341E-02 0.785E-02 RMM: 7 -0.362273706465E+03 -0.47593E-04 -0.97577E-05 3718 0.271E-02 0.120E-01 RMM: 8 -0.362273612925E+03 0.93539E-04 -0.47022E-05 3258 0.213E-02 0.327E-02 RMM: 9 -0.362273610557E+03 0.23684E-05 -0.10686E-05 2479 0.924E-03 6836 T= 6522. E= 0.68243773E+03 F= 0.62848342E+03 E0= 0.65855394E+03 EK= 0.53954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362450470285E+03 -0.17686E+00 -0.16286E-01 7416 0.228E+01 0.331E-01 RMM: 2 -0.362460338719E+03 -0.98684E-02 -0.64413E-02 5035 0.619E-01 0.977E-01 RMM: 3 -0.362454139550E+03 0.61992E-02 -0.73395E-03 5414 0.193E-01 0.232E-01 RMM: 4 -0.362455056823E+03 -0.91727E-03 -0.16137E-03 4878 0.986E-02 0.449E-01 RMM: 5 -0.362453814405E+03 0.12424E-02 -0.60826E-04 4566 0.648E-02 0.150E-01 RMM: 6 -0.362453696608E+03 0.11780E-03 -0.15517E-04 3875 0.321E-02 0.784E-02 RMM: 7 -0.362453736301E+03 -0.39693E-04 -0.73674E-05 3525 0.237E-02 0.116E-01 RMM: 8 -0.362453649491E+03 0.86810E-04 -0.39309E-05 3126 0.196E-02 0.312E-02 RMM: 9 -0.362453648305E+03 0.11863E-05 -0.11903E-05 2482 0.975E-03 6837 T= 5989. E= 0.67755534E+03 F= 0.62800909E+03 E0= 0.65807394E+03 EK= 0.49546E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362726718148E+03 -0.27307E+00 -0.15233E-01 7632 0.220E+01 0.343E-01 RMM: 2 -0.362737424510E+03 -0.10706E-01 -0.60937E-02 5022 0.604E-01 0.106E+00 RMM: 3 -0.362729964875E+03 0.74596E-02 -0.75249E-03 5406 0.198E-01 0.259E-01 RMM: 4 -0.362730691321E+03 -0.72645E-03 -0.18850E-03 4952 0.106E-01 0.434E-01 RMM: 5 -0.362729682608E+03 0.10087E-02 -0.68766E-04 4594 0.696E-02 0.207E-01 RMM: 6 -0.362729418297E+03 0.26431E-03 -0.17639E-04 3888 0.345E-02 0.592E-02 RMM: 7 -0.362729468064E+03 -0.49767E-04 -0.82469E-05 3611 0.248E-02 0.111E-01 RMM: 8 -0.362729387982E+03 0.80082E-04 -0.38200E-05 3096 0.196E-02 0.323E-02 RMM: 9 -0.362729385893E+03 0.20892E-05 -0.11491E-05 2481 0.957E-03 6838 T= 5636. E= 0.67404759E+03 F= 0.62742334E+03 E0= 0.65747482E+03 EK= 0.46624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363088744861E+03 -0.35936E+00 -0.14341E-01 7956 0.217E+01 0.331E-01 RMM: 2 -0.363097895312E+03 -0.91505E-02 -0.53593E-02 5024 0.565E-01 0.100E+00 RMM: 3 -0.363091453643E+03 0.64417E-02 -0.67477E-03 5395 0.187E-01 0.234E-01 RMM: 4 -0.363092266609E+03 -0.81297E-03 -0.16480E-03 4797 0.997E-02 0.432E-01 RMM: 5 -0.363091146788E+03 0.11198E-02 -0.64948E-04 4562 0.671E-02 0.165E-01 RMM: 6 -0.363090995807E+03 0.15098E-03 -0.17416E-04 3881 0.341E-02 0.777E-02 RMM: 7 -0.363091038015E+03 -0.42208E-04 -0.80084E-05 3588 0.251E-02 0.118E-01 RMM: 8 -0.363090949816E+03 0.88199E-04 -0.39813E-05 3141 0.197E-02 0.334E-02 RMM: 9 -0.363090947193E+03 0.26227E-05 -0.11116E-05 2482 0.945E-03 6839 T= 5538. E= 0.67255184E+03 F= 0.62674006E+03 E0= 0.65677231E+03 EK= 0.45812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363494445572E+03 -0.40350E+00 -0.14211E-01 8256 0.219E+01 0.307E-01 RMM: 2 -0.363503812141E+03 -0.93666E-02 -0.48679E-02 5050 0.538E-01 0.101E+00 RMM: 3 -0.363496974114E+03 0.68380E-02 -0.61394E-03 5408 0.179E-01 0.221E-01 RMM: 4 -0.363497519637E+03 -0.54552E-03 -0.14790E-03 4700 0.948E-02 0.381E-01 RMM: 5 -0.363496778966E+03 0.74067E-03 -0.66063E-04 4592 0.695E-02 0.201E-01 RMM: 6 -0.363496547843E+03 0.23112E-03 -0.19878E-04 3887 0.365E-02 0.748E-02 RMM: 7 -0.363496579397E+03 -0.31554E-04 -0.95988E-05 3795 0.286E-02 0.109E-01 RMM: 8 -0.363496500997E+03 0.78400E-04 -0.38018E-05 3141 0.192E-02 0.284E-02 RMM: 9 -0.363496502326E+03 -0.13297E-05 -0.11876E-05 2477 0.990E-03 6840 T= 5703. E= 0.67318721E+03 F= 0.62600768E+03 E0= 0.65601638E+03 EK= 0.47180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363862199033E+03 -0.36570E+00 -0.14530E-01 8328 0.225E+01 0.281E-01 RMM: 2 -0.363871802519E+03 -0.96035E-02 -0.53875E-02 5121 0.568E-01 0.987E-01 RMM: 3 -0.363865435068E+03 0.63675E-02 -0.61673E-03 5431 0.175E-01 0.213E-01 RMM: 4 -0.363865554493E+03 -0.11942E-03 -0.11110E-03 4635 0.815E-02 0.281E-01 RMM: 5 -0.363865151259E+03 0.40323E-03 -0.71589E-04 4601 0.749E-02 0.167E-01 RMM: 6 -0.363865048067E+03 0.10319E-03 -0.21784E-04 3884 0.384E-02 0.116E-01 RMM: 7 -0.363865038847E+03 0.92197E-05 -0.12504E-04 3840 0.341E-02 6841 T= 6087. E= 0.67566581E+03 F= 0.62531402E+03 E0= 0.65529648E+03 EK= 0.50352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364070864150E+03 -0.20582E+00 -0.15392E-01 8652 0.234E+01 0.277E-01 RMM: 2 -0.364078900704E+03 -0.80366E-02 -0.57695E-02 5196 0.586E-01 0.809E-01 RMM: 3 -0.364074692401E+03 0.42083E-02 -0.59721E-03 5521 0.161E-01 0.227E-01 RMM: 4 -0.364074734981E+03 -0.42580E-04 -0.10975E-03 4635 0.847E-02 0.289E-01 RMM: 5 -0.364074336735E+03 0.39825E-03 -0.10261E-03 4608 0.904E-02 0.184E-01 RMM: 6 -0.364074303958E+03 0.32777E-04 -0.32675E-04 3941 0.465E-02 0.175E-01 RMM: 7 -0.364074139757E+03 0.16420E-03 -0.22842E-04 3880 0.478E-02 0.975E-02 RMM: 8 -0.364074084218E+03 0.55539E-04 -0.48507E-05 3243 0.210E-02 0.398E-02 RMM: 9 -0.364074093521E+03 -0.93030E-05 -0.21547E-05 2570 0.137E-02 6842 T= 6577. E= 0.67919442E+03 F= 0.62478605E+03 E0= 0.65474154E+03 EK= 0.54408E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363973791544E+03 0.10029E+00 -0.16709E-01 8268 0.243E+01 0.214E-01 RMM: 2 -0.363984343623E+03 -0.10552E-01 -0.74299E-02 5057 0.666E-01 0.858E-01 RMM: 3 -0.363979617287E+03 0.47263E-02 -0.80307E-03 5594 0.181E-01 0.181E-01 RMM: 4 -0.363979397222E+03 0.22007E-03 -0.64742E-04 4628 0.606E-02 0.152E-01 RMM: 5 -0.363979256160E+03 0.14106E-03 -0.44505E-04 4578 0.613E-02 0.119E-01 RMM: 6 -0.363979293114E+03 -0.36954E-04 -0.24840E-04 3901 0.414E-02 0.143E-01 RMM: 7 -0.363979243590E+03 0.49524E-04 -0.93053E-05 3663 0.294E-02 0.117E-01 RMM: 8 -0.363979154406E+03 0.89185E-04 -0.33193E-05 3021 0.174E-02 0.256E-02 RMM: 9 -0.363979152624E+03 0.17815E-05 -0.84025E-06 2457 0.820E-03 6843 T= 6994. E= 0.68242849E+03 F= 0.62456896E+03 E0= 0.65449825E+03 EK= 0.57860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363452397278E+03 0.52676E+00 -0.17109E-01 8412 0.249E+01 0.266E-01 RMM: 2 -0.363460071760E+03 -0.76745E-02 -0.66212E-02 5188 0.621E-01 0.698E-01 RMM: 3 -0.363456967787E+03 0.31040E-02 -0.65668E-03 5648 0.163E-01 0.211E-01 RMM: 4 -0.363457034338E+03 -0.66551E-04 -0.10775E-03 4629 0.856E-02 0.288E-01 RMM: 5 -0.363456574572E+03 0.45977E-03 -0.84244E-04 4608 0.808E-02 0.160E-01 RMM: 6 -0.363456594272E+03 -0.19701E-04 -0.30970E-04 3894 0.455E-02 0.174E-01 RMM: 7 -0.363456461815E+03 0.13246E-03 -0.17709E-04 3876 0.420E-02 0.111E-01 RMM: 8 -0.363456385300E+03 0.76515E-04 -0.40453E-05 3135 0.192E-02 0.369E-02 RMM: 9 -0.363456387867E+03 -0.25666E-05 -0.18921E-05 2528 0.129E-02 6844 T= 7149. E= 0.68392428E+03 F= 0.62478342E+03 E0= 0.65468970E+03 EK= 0.59141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362451237808E+03 0.10051E+01 -0.16861E-01 8076 0.248E+01 0.263E-01 RMM: 2 -0.362460527054E+03 -0.92892E-02 -0.65710E-02 5107 0.609E-01 0.844E-01 RMM: 3 -0.362455769892E+03 0.47572E-02 -0.68750E-03 5547 0.173E-01 0.191E-01 RMM: 4 -0.362455924877E+03 -0.15498E-03 -0.10304E-03 4635 0.804E-02 0.280E-01 RMM: 5 -0.362455485071E+03 0.43981E-03 -0.59419E-04 4603 0.674E-02 0.148E-01 RMM: 6 -0.362455439918E+03 0.45152E-04 -0.23547E-04 3888 0.394E-02 0.127E-01 RMM: 7 -0.362455408653E+03 0.31265E-04 -0.11335E-04 3816 0.330E-02 0.113E-01 RMM: 8 -0.362455325625E+03 0.83028E-04 -0.37746E-05 3116 0.187E-02 0.314E-02 RMM: 9 -0.362455325225E+03 0.40030E-06 -0.10843E-05 2477 0.949E-03 6845 T= 6961. E= 0.68306266E+03 F= 0.62547445E+03 E0= 0.65536177E+03 EK= 0.57588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361019973059E+03 0.14354E+01 -0.16402E-01 7656 0.242E+01 0.324E-01 RMM: 2 -0.361029115272E+03 -0.91422E-02 -0.65655E-02 5090 0.595E-01 0.894E-01 RMM: 3 -0.361023850156E+03 0.52651E-02 -0.69218E-03 5444 0.181E-01 0.253E-01 RMM: 4 -0.361024589072E+03 -0.73892E-03 -0.17089E-03 4798 0.102E-01 0.428E-01 RMM: 5 -0.361023504355E+03 0.10847E-02 -0.71177E-04 4591 0.708E-02 0.180E-01 RMM: 6 -0.361023319467E+03 0.18489E-03 -0.20464E-04 3898 0.367E-02 0.785E-02 RMM: 7 -0.361023368218E+03 -0.48751E-04 -0.97127E-05 3773 0.276E-02 0.123E-01 RMM: 8 -0.361023268232E+03 0.99986E-04 -0.45787E-05 3244 0.206E-02 0.276E-02 RMM: 9 -0.361023269584E+03 -0.13519E-05 -0.11960E-05 2491 0.974E-03 6846 T= 6522. E= 0.68054447E+03 F= 0.62658920E+03 E0= 0.65646140E+03 EK= 0.53955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359277553179E+03 0.17457E+01 -0.15519E-01 7776 0.233E+01 0.366E-01 RMM: 2 -0.359288829600E+03 -0.11276E-01 -0.65143E-02 5154 0.609E-01 0.109E+00 RMM: 3 -0.359280885420E+03 0.79442E-02 -0.74892E-03 5398 0.195E-01 0.249E-01 RMM: 4 -0.359281949450E+03 -0.10640E-02 -0.20853E-03 4924 0.112E-01 0.480E-01 RMM: 5 -0.359280519451E+03 0.14300E-02 -0.74610E-04 4608 0.721E-02 0.163E-01 RMM: 6 -0.359280367477E+03 0.15197E-03 -0.17499E-04 3886 0.337E-02 0.766E-02 RMM: 7 -0.359280416894E+03 -0.49417E-04 -0.88425E-05 3681 0.256E-02 0.120E-01 RMM: 8 -0.359280322254E+03 0.94640E-04 -0.43806E-05 3205 0.203E-02 0.357E-02 RMM: 9 -0.359280317296E+03 0.49587E-05 -0.10595E-05 2483 0.906E-03 6847 T= 6024. E= 0.67783840E+03 F= 0.62800439E+03 E0= 0.65786526E+03 EK= 0.49834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357363869041E+03 0.19165E+01 -0.14701E-01 7800 0.225E+01 0.384E-01 RMM: 2 -0.357372299652E+03 -0.84306E-02 -0.60282E-02 5223 0.585E-01 0.943E-01 RMM: 3 -0.357366766382E+03 0.55333E-02 -0.71468E-03 5392 0.192E-01 0.316E-01 RMM: 4 -0.357367892985E+03 -0.11266E-02 -0.20070E-03 4830 0.109E-01 0.520E-01 RMM: 5 -0.357366188574E+03 0.17044E-02 -0.79955E-04 4597 0.746E-02 0.174E-01 RMM: 6 -0.357366005028E+03 0.18355E-03 -0.18963E-04 3890 0.354E-02 0.699E-02 RMM: 7 -0.357366064568E+03 -0.59540E-04 -0.84339E-05 3649 0.245E-02 0.123E-01 RMM: 8 -0.357365961917E+03 0.10265E-03 -0.44952E-05 3210 0.205E-02 0.335E-02 RMM: 9 -0.357365960686E+03 0.12304E-05 -0.14084E-05 2504 0.107E-02 6848 T= 5644. E= 0.67627220E+03 F= 0.62958129E+03 E0= 0.65943350E+03 EK= 0.46691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355392851050E+03 0.19731E+01 -0.14052E-01 7848 0.219E+01 0.380E-01 RMM: 2 -0.355403286971E+03 -0.10436E-01 -0.54818E-02 5203 0.566E-01 0.112E+00 RMM: 3 -0.355395146869E+03 0.81401E-02 -0.69961E-03 5382 0.194E-01 0.257E-01 RMM: 4 -0.355396290820E+03 -0.11440E-02 -0.21287E-03 4927 0.111E-01 0.500E-01 RMM: 5 -0.355394757427E+03 0.15334E-02 -0.80380E-04 4608 0.758E-02 0.163E-01 RMM: 6 -0.355394596314E+03 0.16111E-03 -0.15135E-04 3879 0.312E-02 0.681E-02 RMM: 7 -0.355394631292E+03 -0.34977E-04 -0.77843E-05 3589 0.242E-02 0.106E-01 RMM: 8 -0.355394558035E+03 0.73257E-04 -0.37177E-05 3109 0.191E-02 0.344E-02 RMM: 9 -0.355394554184E+03 0.38511E-05 -0.10542E-05 2478 0.905E-03 6849 T= 5490. E= 0.67662740E+03 F= 0.63121051E+03 E0= 0.66105712E+03 EK= 0.45417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353436159012E+03 0.19584E+01 -0.14207E-01 8016 0.218E+01 0.353E-01 RMM: 2 -0.353446293928E+03 -0.10135E-01 -0.52370E-02 5111 0.549E-01 0.108E+00 RMM: 3 -0.353438669591E+03 0.76243E-02 -0.71268E-03 5354 0.196E-01 0.266E-01 RMM: 4 -0.353439557022E+03 -0.88743E-03 -0.18073E-03 4807 0.102E-01 0.457E-01 RMM: 5 -0.353438317831E+03 0.12392E-02 -0.67689E-04 4581 0.690E-02 0.183E-01 RMM: 6 -0.353438113722E+03 0.20411E-03 -0.17655E-04 3883 0.347E-02 0.670E-02 RMM: 7 -0.353438166775E+03 -0.53053E-04 -0.84580E-05 3628 0.248E-02 0.116E-01 RMM: 8 -0.353438077952E+03 0.88823E-04 -0.41093E-05 3168 0.201E-02 0.351E-02 RMM: 9 -0.353438072722E+03 0.52296E-05 -0.10671E-05 2485 0.944E-03 6850 T= 5606. E= 0.67920489E+03 F= 0.63282778E+03 E0= 0.66267123E+03 EK= 0.46377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351524134738E+03 0.19139E+01 -0.14753E-01 8208 0.223E+01 0.317E-01 RMM: 2 -0.351534501817E+03 -0.10367E-01 -0.49768E-02 5160 0.535E-01 0.108E+00 RMM: 3 -0.351526731179E+03 0.77706E-02 -0.59842E-03 5365 0.179E-01 0.220E-01 RMM: 4 -0.351527293280E+03 -0.56210E-03 -0.15546E-03 4694 0.955E-02 0.382E-01 RMM: 5 -0.351526475550E+03 0.81773E-03 -0.61651E-04 4597 0.669E-02 0.171E-01 RMM: 6 -0.351526310373E+03 0.16518E-03 -0.16300E-04 3881 0.331E-02 0.767E-02 RMM: 7 -0.351526331995E+03 -0.21622E-04 -0.75018E-05 3621 0.257E-02 0.103E-01 RMM: 8 -0.351526263529E+03 0.68466E-04 -0.28383E-05 2939 0.170E-02 0.299E-02 RMM: 9 -0.351526262044E+03 0.14848E-05 -0.95212E-06 2466 0.862E-03 6851 T= 5984. E= 0.68391210E+03 F= 0.63441109E+03 E0= 0.66425439E+03 EK= 0.49501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349651793827E+03 0.18745E+01 -0.16182E-01 8256 0.231E+01 0.269E-01 RMM: 2 -0.349661630624E+03 -0.98368E-02 -0.58145E-02 5197 0.570E-01 0.949E-01 RMM: 3 -0.349655645970E+03 0.59847E-02 -0.62548E-03 5395 0.174E-01 0.207E-01 RMM: 4 -0.349655833717E+03 -0.18775E-03 -0.10739E-03 4640 0.789E-02 0.287E-01 RMM: 5 -0.349655405771E+03 0.42795E-03 -0.57010E-04 4579 0.660E-02 0.166E-01 RMM: 6 -0.349655278913E+03 0.12686E-03 -0.19487E-04 3880 0.363E-02 0.962E-02 RMM: 7 -0.349655296405E+03 -0.17493E-04 -0.97795E-05 3832 0.296E-02 6852 T= 6545. E= 0.69011470E+03 F= 0.63596933E+03 E0= 0.66581453E+03 EK= 0.54145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347800685518E+03 0.18546E+01 -0.17603E-01 8628 0.241E+01 0.268E-01 RMM: 2 -0.347808580362E+03 -0.78948E-02 -0.65113E-02 5303 0.609E-01 0.704E-01 RMM: 3 -0.347805340067E+03 0.32403E-02 -0.57838E-03 5511 0.158E-01 0.232E-01 RMM: 4 -0.347805293143E+03 0.46924E-04 -0.97541E-04 4618 0.779E-02 0.264E-01 RMM: 5 -0.347804905904E+03 0.38724E-03 -0.86549E-04 4608 0.831E-02 0.156E-01 RMM: 6 -0.347804933039E+03 -0.27135E-04 -0.31398E-04 3942 0.459E-02 0.171E-01 RMM: 7 -0.347804839055E+03 0.93984E-04 -0.16845E-04 3875 0.397E-02 0.133E-01 RMM: 8 -0.347804725749E+03 0.11331E-03 -0.65356E-05 3454 0.237E-02 0.413E-02 RMM: 9 -0.347804727580E+03 -0.18308E-05 -0.17045E-05 2546 0.120E-02 6853 T= 7115. E= 0.69638197E+03 F= 0.63752354E+03 E0= 0.66737185E+03 EK= 0.58858E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345960068545E+03 0.18447E+01 -0.18912E-01 8520 0.249E+01 0.221E-01 RMM: 2 -0.345971453364E+03 -0.11385E-01 -0.77890E-02 5167 0.666E-01 0.889E-01 RMM: 3 -0.345966193394E+03 0.52600E-02 -0.77345E-03 5562 0.182E-01 0.189E-01 RMM: 4 -0.345966030491E+03 0.16290E-03 -0.76988E-04 4620 0.659E-02 0.169E-01 RMM: 5 -0.345965882554E+03 0.14794E-03 -0.37892E-04 4493 0.548E-02 0.129E-01 RMM: 6 -0.345965850815E+03 0.31739E-04 -0.17575E-04 3880 0.350E-02 0.112E-01 RMM: 7 -0.345965850092E+03 0.72320E-06 -0.84682E-05 3639 0.269E-02 6854 T= 7449. E= 0.70069850E+03 F= 0.63907849E+03 E0= 0.66892897E+03 EK= 0.61620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344165597104E+03 0.18003E+01 -0.19010E-01 8460 0.250E+01 0.312E-01 RMM: 2 -0.344176780235E+03 -0.11183E-01 -0.84552E-02 5261 0.695E-01 0.901E-01 RMM: 3 -0.344171453055E+03 0.53272E-02 -0.84498E-03 5546 0.194E-01 0.258E-01 RMM: 4 -0.344171456733E+03 -0.36781E-05 -0.12580E-03 4686 0.867E-02 0.299E-01 RMM: 5 -0.344171001599E+03 0.45513E-03 -0.86129E-04 4605 0.809E-02 0.194E-01 RMM: 6 -0.344170875415E+03 0.12618E-03 -0.32341E-04 3930 0.469E-02 0.143E-01 RMM: 7 -0.344170877109E+03 -0.16950E-05 -0.18517E-04 3877 0.406E-02 6855 T= 7373. E= 0.70159103E+03 F= 0.64059498E+03 E0= 0.67044450E+03 EK= 0.60996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342497970249E+03 0.16729E+01 -0.18385E-01 7980 0.245E+01 0.314E-01 RMM: 2 -0.342510353165E+03 -0.12383E-01 -0.84439E-02 5152 0.684E-01 0.983E-01 RMM: 3 -0.342503805084E+03 0.65481E-02 -0.87079E-03 5526 0.203E-01 0.265E-01 RMM: 4 -0.342503810447E+03 -0.53635E-05 -0.13787E-03 4723 0.889E-02 0.290E-01 RMM: 5 -0.342503435715E+03 0.37473E-03 -0.58784E-04 4578 0.643E-02 0.202E-01 RMM: 6 -0.342503213748E+03 0.22197E-03 -0.23966E-04 3896 0.410E-02 0.101E-01 RMM: 7 -0.342503280166E+03 -0.66418E-04 -0.14232E-04 3873 0.331E-02 0.146E-01 RMM: 8 -0.342503144960E+03 0.13521E-03 -0.70911E-05 3540 0.255E-02 0.484E-02 RMM: 9 -0.342503134005E+03 0.10956E-04 -0.15314E-05 2530 0.115E-02 6856 T= 6929. E= 0.69930527E+03 F= 0.64198201E+03 E0= 0.67182652E+03 EK= 0.57323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341068629457E+03 0.14345E+01 -0.17059E-01 8052 0.236E+01 0.318E-01 RMM: 2 -0.341082282260E+03 -0.13653E-01 -0.81617E-02 5250 0.671E-01 0.110E+00 RMM: 3 -0.341073903237E+03 0.83790E-02 -0.82868E-03 5472 0.201E-01 0.231E-01 RMM: 4 -0.341074436050E+03 -0.53281E-03 -0.15531E-03 4784 0.947E-02 0.375E-01 RMM: 5 -0.341073651809E+03 0.78424E-03 -0.49424E-04 4509 0.571E-02 0.173E-01 RMM: 6 -0.341073458498E+03 0.19331E-03 -0.15660E-04 3880 0.329E-02 0.537E-02 RMM: 7 -0.341073488907E+03 -0.30409E-04 -0.51867E-05 3288 0.198E-02 0.900E-02 RMM: 8 -0.341073440991E+03 0.47915E-04 -0.27896E-05 2790 0.172E-02 0.378E-02 RMM: 9 -0.341073433002E+03 0.79898E-05 -0.85339E-06 2459 0.864E-03 6857 T= 6338. E= 0.69555638E+03 F= 0.64312283E+03 E0= 0.67295845E+03 EK= 0.52434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339973034688E+03 0.11004E+01 -0.15391E-01 8052 0.226E+01 0.384E-01 RMM: 2 -0.339986999755E+03 -0.13965E-01 -0.77761E-02 5304 0.666E-01 0.120E+00 RMM: 3 -0.339977403293E+03 0.95965E-02 -0.88011E-03 5384 0.216E-01 0.294E-01 RMM: 4 -0.339978039925E+03 -0.63663E-03 -0.22867E-03 5060 0.115E-01 0.434E-01 RMM: 5 -0.339977024876E+03 0.10150E-02 -0.71804E-04 4605 0.705E-02 0.226E-01 RMM: 6 -0.339976704018E+03 0.32086E-03 -0.19617E-04 3884 0.367E-02 0.688E-02 RMM: 7 -0.339976756043E+03 -0.52025E-04 -0.11199E-04 3827 0.281E-02 0.117E-01 RMM: 8 -0.339976668012E+03 0.88031E-04 -0.50388E-05 3296 0.215E-02 0.456E-02 RMM: 9 -0.339976656902E+03 0.11110E-04 -0.15272E-05 2519 0.114E-02 6858 T= 5837. E= 0.69221035E+03 F= 0.64392026E+03 E0= 0.67374384E+03 EK= 0.48290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339267139318E+03 0.70953E+00 -0.14115E-01 8064 0.220E+01 0.354E-01 RMM: 2 -0.339279688067E+03 -0.12549E-01 -0.68848E-02 5322 0.622E-01 0.114E+00 RMM: 3 -0.339270905669E+03 0.87824E-02 -0.72597E-03 5434 0.194E-01 0.258E-01 RMM: 4 -0.339271706158E+03 -0.80049E-03 -0.19119E-03 4820 0.106E-01 0.441E-01 RMM: 5 -0.339270553660E+03 0.11525E-02 -0.64252E-04 4604 0.661E-02 0.171E-01 RMM: 6 -0.339270371937E+03 0.18172E-03 -0.14747E-04 3874 0.312E-02 0.627E-02 RMM: 7 -0.339270421096E+03 -0.49159E-04 -0.77227E-05 3547 0.237E-02 0.113E-01 RMM: 8 -0.339270340391E+03 0.80706E-04 -0.37790E-05 3077 0.195E-02 0.387E-02 RMM: 9 -0.339270333290E+03 0.71009E-05 -0.11369E-05 2489 0.956E-03 6859 T= 5574. E= 0.69043401E+03 F= 0.64431878E+03 E0= 0.67412896E+03 EK= 0.46115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338968492612E+03 0.30185E+00 -0.13726E-01 8148 0.219E+01 0.335E-01 RMM: 2 -0.338980044080E+03 -0.11551E-01 -0.60493E-02 5359 0.581E-01 0.112E+00 RMM: 3 -0.338971855414E+03 0.81887E-02 -0.66803E-03 5398 0.187E-01 0.258E-01 RMM: 4 -0.338972323102E+03 -0.46769E-03 -0.16825E-03 4690 0.996E-02 0.373E-01 RMM: 5 -0.338971634878E+03 0.68822E-03 -0.55154E-04 4555 0.610E-02 0.221E-01 RMM: 6 -0.338971322725E+03 0.31215E-03 -0.20847E-04 3889 0.377E-02 0.647E-02 RMM: 7 -0.338971375132E+03 -0.52407E-04 -0.88062E-05 3620 0.255E-02 0.115E-01 RMM: 8 -0.338971290097E+03 0.85035E-04 -0.40995E-05 3158 0.203E-02 0.383E-02 RMM: 9 -0.338971283044E+03 0.70521E-05 -0.99076E-06 2484 0.914E-03 6860 T= 5606. E= 0.69068453E+03 F= 0.64430694E+03 E0= 0.67410387E+03 EK= 0.46378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339053637063E+03 -0.82347E-01 -0.14141E-01 8268 0.224E+01 0.295E-01 RMM: 2 -0.339063219996E+03 -0.95829E-02 -0.59125E-02 5309 0.577E-01 0.942E-01 RMM: 3 -0.339057309122E+03 0.59109E-02 -0.60875E-03 5415 0.175E-01 0.230E-01 RMM: 4 -0.339057581580E+03 -0.27246E-03 -0.12330E-03 4644 0.852E-02 0.321E-01 RMM: 5 -0.339057037601E+03 0.54398E-03 -0.55250E-04 4579 0.632E-02 0.177E-01 RMM: 6 -0.339056870052E+03 0.16755E-03 -0.18187E-04 3880 0.352E-02 0.852E-02 RMM: 7 -0.339056901346E+03 -0.31293E-04 -0.94914E-05 3733 0.280E-02 0.116E-01 RMM: 8 -0.339056814837E+03 0.86509E-04 -0.44014E-05 3227 0.204E-02 0.354E-02 RMM: 9 -0.339056810322E+03 0.45143E-05 -0.10704E-05 2479 0.949E-03 6861 T= 5923. E= 0.69291468E+03 F= 0.64391397E+03 E0= 0.67369937E+03 EK= 0.49001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339455972916E+03 -0.39916E+00 -0.14766E-01 8112 0.234E+01 0.291E-01 RMM: 2 -0.339469556567E+03 -0.13584E-01 -0.68009E-02 5319 0.635E-01 0.118E+00 RMM: 3 -0.339460541255E+03 0.90153E-02 -0.71415E-03 5415 0.192E-01 0.242E-01 RMM: 4 -0.339460337450E+03 0.20381E-03 -0.10622E-03 4619 0.760E-02 0.208E-01 RMM: 5 -0.339460262893E+03 0.74556E-04 -0.61730E-04 4605 0.700E-02 0.209E-01 RMM: 6 -0.339460031390E+03 0.23150E-03 -0.25784E-04 3893 0.424E-02 0.100E-01 RMM: 7 -0.339460076327E+03 -0.44937E-04 -0.14192E-04 3855 0.348E-02 0.136E-01 RMM: 8 -0.339459958271E+03 0.11806E-03 -0.59232E-05 3413 0.231E-02 0.356E-02 RMM: 9 -0.339459954485E+03 0.37860E-05 -0.10383E-05 2491 0.942E-03 6862 T= 6447. E= 0.69654742E+03 F= 0.64321180E+03 E0= 0.67298816E+03 EK= 0.53336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340062853889E+03 -0.60290E+00 -0.15984E-01 8136 0.245E+01 0.270E-01 RMM: 2 -0.340077043204E+03 -0.14189E-01 -0.83254E-02 5278 0.707E-01 0.110E+00 RMM: 3 -0.340069111867E+03 0.79313E-02 -0.80613E-03 5443 0.195E-01 0.249E-01 RMM: 4 -0.340068777364E+03 0.33450E-03 -0.93673E-04 4627 0.706E-02 0.172E-01 RMM: 5 -0.340068625451E+03 0.15191E-03 -0.62486E-04 4608 0.719E-02 0.153E-01 RMM: 6 -0.340068620288E+03 0.51634E-05 -0.28646E-04 3913 0.445E-02 0.151E-01 RMM: 7 -0.340068577184E+03 0.43104E-04 -0.12994E-04 3866 0.340E-02 0.135E-01 RMM: 8 -0.340068460360E+03 0.11682E-03 -0.53702E-05 3363 0.213E-02 0.386E-02 RMM: 9 -0.340068457071E+03 0.32890E-05 -0.13134E-05 2503 0.104E-02 6863 T= 7007. E= 0.70028108E+03 F= 0.64231401E+03 E0= 0.67208503E+03 EK= 0.57967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340732490570E+03 -0.66403E+00 -0.17484E-01 8040 0.254E+01 0.268E-01 RMM: 2 -0.340748488158E+03 -0.15998E-01 -0.95464E-02 5252 0.758E-01 0.115E+00 RMM: 3 -0.340739896139E+03 0.85920E-02 -0.94715E-03 5454 0.207E-01 0.245E-01 RMM: 4 -0.340739533875E+03 0.36226E-03 -0.92505E-04 4633 0.688E-02 0.163E-01 RMM: 5 -0.340739402921E+03 0.13095E-03 -0.50725E-04 4606 0.649E-02 0.157E-01 RMM: 6 -0.340739376055E+03 0.26866E-04 -0.30452E-04 4044 0.459E-02 0.151E-01 RMM: 7 -0.340739348153E+03 0.27903E-04 -0.15456E-04 3883 0.355E-02 0.140E-01 RMM: 8 -0.340739219312E+03 0.12884E-03 -0.64113E-05 3441 0.235E-02 0.346E-02 RMM: 9 -0.340739219321E+03 -0.87111E-08 -0.15636E-05 2511 0.114E-02 6864 T= 7362. E= 0.70226101E+03 F= 0.64136080E+03 E0= 0.67112967E+03 EK= 0.60900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341331047653E+03 -0.59183E+00 -0.17989E-01 7788 0.257E+01 0.265E-01 RMM: 2 -0.341344971832E+03 -0.13924E-01 -0.94085E-02 5228 0.746E-01 0.102E+00 RMM: 3 -0.341338287097E+03 0.66847E-02 -0.92833E-03 5527 0.198E-01 0.238E-01 RMM: 4 -0.341337969445E+03 0.31765E-03 -0.92555E-04 4657 0.716E-02 0.183E-01 RMM: 5 -0.341337782947E+03 0.18650E-03 -0.64428E-04 4606 0.731E-02 0.146E-01 RMM: 6 -0.341337815472E+03 -0.32524E-04 -0.27277E-04 3905 0.431E-02 0.162E-01 RMM: 7 -0.341337722679E+03 0.92793E-04 -0.12590E-04 3863 0.342E-02 0.120E-01 RMM: 8 -0.341337631711E+03 0.90968E-04 -0.42120E-05 3197 0.191E-02 0.367E-02 RMM: 9 -0.341337630360E+03 0.13508E-05 -0.13472E-05 2497 0.104E-02 6865 T= 7326. E= 0.70108951E+03 F= 0.64048060E+03 E0= 0.67024964E+03 EK= 0.60609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341780780805E+03 -0.44315E+00 -0.17525E-01 7632 0.253E+01 0.277E-01 RMM: 2 -0.341791242227E+03 -0.10461E-01 -0.75570E-02 5203 0.663E-01 0.889E-01 RMM: 3 -0.341786060696E+03 0.51815E-02 -0.72779E-03 5450 0.183E-01 0.218E-01 RMM: 4 -0.341786229397E+03 -0.16870E-03 -0.11210E-03 4694 0.825E-02 0.294E-01 RMM: 5 -0.341785810600E+03 0.41880E-03 -0.61673E-04 4604 0.689E-02 0.184E-01 RMM: 6 -0.341785653734E+03 0.15687E-03 -0.24349E-04 3893 0.403E-02 0.107E-01 RMM: 7 -0.341785675466E+03 -0.21732E-04 -0.12615E-04 3851 0.335E-02 0.127E-01 RMM: 8 -0.341785569656E+03 0.10581E-03 -0.49732E-05 3296 0.214E-02 0.337E-02 RMM: 9 -0.341785568098E+03 0.15579E-05 -0.12211E-05 2493 0.102E-02 6866 T= 6917. E= 0.69696759E+03 F= 0.63974408E+03 E0= 0.66951433E+03 EK= 0.57224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342077924610E+03 -0.29235E+00 -0.16606E-01 7476 0.244E+01 0.310E-01 RMM: 2 -0.342087308610E+03 -0.93840E-02 -0.68533E-02 5192 0.619E-01 0.876E-01 RMM: 3 -0.342082123102E+03 0.51855E-02 -0.64627E-03 5391 0.175E-01 0.219E-01 RMM: 4 -0.342082817282E+03 -0.69418E-03 -0.15107E-03 4807 0.966E-02 0.405E-01 RMM: 5 -0.342081850653E+03 0.96663E-03 -0.60258E-04 4593 0.660E-02 0.165E-01 RMM: 6 -0.342081699714E+03 0.15094E-03 -0.16876E-04 3876 0.336E-02 0.791E-02 RMM: 7 -0.342081721286E+03 -0.21572E-04 -0.74245E-05 3604 0.257E-02 0.106E-01 RMM: 8 -0.342081649413E+03 0.71873E-04 -0.29254E-05 2957 0.171E-02 0.306E-02 RMM: 9 -0.342081648117E+03 0.12964E-05 -0.10497E-05 2469 0.905E-03 6867 T= 6335. E= 0.69155097E+03 F= 0.63914639E+03 E0= 0.66891836E+03 EK= 0.52405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342276001981E+03 -0.19435E+00 -0.15317E-01 7140 0.233E+01 0.338E-01 RMM: 2 -0.342283556062E+03 -0.75541E-02 -0.61060E-02 5238 0.586E-01 0.816E-01 RMM: 3 -0.342279284308E+03 0.42718E-02 -0.62122E-03 5382 0.178E-01 0.273E-01 RMM: 4 -0.342280166642E+03 -0.88233E-03 -0.16324E-03 4831 0.101E-01 0.461E-01 RMM: 5 -0.342278836862E+03 0.13298E-02 -0.68539E-04 4590 0.691E-02 0.149E-01 RMM: 6 -0.342278715248E+03 0.12161E-03 -0.16027E-04 3875 0.326E-02 0.756E-02 RMM: 7 -0.342278749036E+03 -0.33788E-04 -0.68216E-05 3508 0.233E-02 0.110E-01 RMM: 8 -0.342278669096E+03 0.79940E-04 -0.33727E-05 3022 0.183E-02 0.317E-02 RMM: 9 -0.342278667130E+03 0.19659E-05 -0.11365E-05 2485 0.943E-03 6868 T= 5811. E= 0.68670475E+03 F= 0.63863196E+03 E0= 0.66840555E+03 EK= 0.48073E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342445268002E+03 -0.16660E+00 -0.14284E-01 7332 0.226E+01 0.362E-01 RMM: 2 -0.342456251772E+03 -0.10984E-01 -0.63008E-02 5138 0.600E-01 0.109E+00 RMM: 3 -0.342448436871E+03 0.78149E-02 -0.71163E-03 5376 0.189E-01 0.241E-01 RMM: 4 -0.342449665509E+03 -0.12286E-02 -0.19260E-03 4965 0.109E-01 0.502E-01 RMM: 5 -0.342448143574E+03 0.15219E-02 -0.69874E-04 4595 0.702E-02 0.178E-01 RMM: 6 -0.342447947482E+03 0.19609E-03 -0.19802E-04 3888 0.360E-02 0.706E-02 RMM: 7 -0.342447984204E+03 -0.36722E-04 -0.78211E-05 3596 0.250E-02 0.111E-01 RMM: 8 -0.342447905167E+03 0.79037E-04 -0.34723E-05 3056 0.184E-02 0.332E-02 RMM: 9 -0.342447902415E+03 0.27515E-05 -0.11494E-05 2483 0.935E-03 6869 T= 5499. E= 0.68362471E+03 F= 0.63813135E+03 E0= 0.66790670E+03 EK= 0.45493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342648385229E+03 -0.20048E+00 -0.13785E-01 7356 0.223E+01 0.339E-01 RMM: 2 -0.342655725347E+03 -0.73401E-02 -0.56216E-02 5195 0.560E-01 0.835E-01 RMM: 3 -0.342651301483E+03 0.44239E-02 -0.63423E-03 5367 0.178E-01 0.277E-01 RMM: 4 -0.342652183121E+03 -0.88164E-03 -0.16475E-03 4769 0.101E-01 0.462E-01 RMM: 5 -0.342650884111E+03 0.12990E-02 -0.67780E-04 4603 0.687E-02 0.173E-01 RMM: 6 -0.342650707716E+03 0.17640E-03 -0.17722E-04 3885 0.342E-02 0.719E-02 RMM: 7 -0.342650756699E+03 -0.48983E-04 -0.81299E-05 3595 0.250E-02 0.118E-01 RMM: 8 -0.342650664841E+03 0.91857E-04 -0.40381E-05 3157 0.198E-02 0.321E-02 RMM: 9 -0.342650662560E+03 0.22808E-05 -0.11121E-05 2485 0.939E-03 6870 T= 5465. E= 0.68279766E+03 F= 0.63758923E+03 E0= 0.66736734E+03 EK= 0.45208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342917477241E+03 -0.26681E+00 -0.14093E-01 7836 0.225E+01 0.330E-01 RMM: 2 -0.342927386402E+03 -0.99092E-02 -0.49698E-02 5265 0.540E-01 0.108E+00 RMM: 3 -0.342919792704E+03 0.75937E-02 -0.56111E-03 5358 0.172E-01 0.224E-01 RMM: 4 -0.342920539336E+03 -0.74663E-03 -0.16073E-03 4682 0.989E-02 0.418E-01 RMM: 5 -0.342919574442E+03 0.96489E-03 -0.63167E-04 4590 0.674E-02 0.195E-01 RMM: 6 -0.342919343656E+03 0.23079E-03 -0.21202E-04 3881 0.377E-02 0.758E-02 RMM: 7 -0.342919373977E+03 -0.30320E-04 -0.86281E-05 3667 0.276E-02 0.111E-01 RMM: 8 -0.342919297366E+03 0.76611E-04 -0.34106E-05 3084 0.181E-02 0.337E-02 RMM: 9 -0.342919294021E+03 0.33449E-05 -0.10034E-05 2473 0.892E-03 6871 T= 5713. E= 0.68424503E+03 F= 0.63698133E+03 E0= 0.66676457E+03 EK= 0.47264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343246950048E+03 -0.32765E+00 -0.14913E-01 8028 0.232E+01 0.294E-01 RMM: 2 -0.343255023295E+03 -0.80732E-02 -0.51634E-02 5314 0.556E-01 0.899E-01 RMM: 3 -0.343249853324E+03 0.51700E-02 -0.55957E-03 5360 0.171E-01 0.224E-01 RMM: 4 -0.343250180805E+03 -0.32748E-03 -0.12041E-03 4625 0.865E-02 0.330E-01 RMM: 5 -0.343249540137E+03 0.64067E-03 -0.61733E-04 4603 0.679E-02 0.157E-01 RMM: 6 -0.343249441348E+03 0.98789E-04 -0.21628E-04 3891 0.383E-02 0.104E-01 RMM: 7 -0.343249445188E+03 -0.38399E-05 -0.95741E-05 3792 0.296E-02 6872 T= 6195. E= 0.68756499E+03 F= 0.63631921E+03 E0= 0.66611115E+03 EK= 0.51246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343594359379E+03 -0.34492E+00 -0.16737E-01 8316 0.242E+01 0.303E-01 RMM: 2 -0.343604615615E+03 -0.10256E-01 -0.63337E-02 5316 0.620E-01 0.100E+00 RMM: 3 -0.343598433712E+03 0.61819E-02 -0.60102E-03 5388 0.172E-01 0.257E-01 RMM: 4 -0.343598411584E+03 0.22127E-04 -0.12061E-03 4613 0.855E-02 0.289E-01 RMM: 5 -0.343597949655E+03 0.46193E-03 -0.92913E-04 4603 0.869E-02 0.171E-01 RMM: 6 -0.343597938772E+03 0.10883E-04 -0.33953E-04 3933 0.475E-02 0.171E-01 RMM: 7 -0.343597818689E+03 0.12008E-03 -0.17650E-04 3873 0.417E-02 0.115E-01 RMM: 8 -0.343597736086E+03 0.82603E-04 -0.48540E-05 3256 0.208E-02 0.401E-02 RMM: 9 -0.343597738863E+03 -0.27771E-05 -0.18374E-05 2531 0.124E-02 6873 T= 6779. E= 0.69172737E+03 F= 0.63564998E+03 E0= 0.66545185E+03 EK= 0.56077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343886785878E+03 -0.28905E+00 -0.18352E-01 8340 0.251E+01 0.220E-01 RMM: 2 -0.343895490600E+03 -0.87047E-02 -0.72946E-02 5287 0.653E-01 0.704E-01 RMM: 3 -0.343892283699E+03 0.32069E-02 -0.64224E-03 5523 0.163E-01 0.168E-01 RMM: 4 -0.343892279659E+03 0.40401E-05 -0.70749E-04 4599 0.672E-02 0.215E-01 RMM: 5 -0.343891982110E+03 0.29755E-03 -0.37891E-04 4449 0.544E-02 0.113E-01 RMM: 6 -0.343892042193E+03 -0.60083E-04 -0.23401E-04 3901 0.398E-02 0.149E-01 RMM: 7 -0.343891950459E+03 0.91734E-04 -0.92880E-05 3660 0.292E-02 0.993E-02 RMM: 8 -0.343891885854E+03 0.64605E-04 -0.25055E-05 2793 0.153E-02 0.256E-02 RMM: 9 -0.343891884553E+03 0.13008E-05 -0.90849E-06 2458 0.857E-03 6874 T= 7248. E= 0.69500420E+03 F= 0.63504486E+03 E0= 0.66485814E+03 EK= 0.59959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344052700243E+03 -0.16081E+00 -0.19551E-01 8088 0.255E+01 0.310E-01 RMM: 2 -0.344067302426E+03 -0.14602E-01 -0.94648E-02 5154 0.755E-01 0.111E+00 RMM: 3 -0.344059404881E+03 0.78975E-02 -0.95099E-03 5483 0.209E-01 0.245E-01 RMM: 4 -0.344059304972E+03 0.99909E-04 -0.12525E-03 4706 0.862E-02 0.267E-01 RMM: 5 -0.344058987566E+03 0.31741E-03 -0.78009E-04 4606 0.780E-02 0.204E-01 RMM: 6 -0.344058840134E+03 0.14743E-03 -0.36921E-04 4118 0.501E-02 0.144E-01 RMM: 7 -0.344058844649E+03 -0.45147E-05 -0.17802E-04 3880 0.393E-02 6875 T= 7381. E= 0.69563543E+03 F= 0.63457158E+03 E0= 0.66439487E+03 EK= 0.61064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344059095167E+03 -0.25503E-03 -0.19776E-01 8076 0.253E+01 0.332E-01 RMM: 2 -0.344070279472E+03 -0.11184E-01 -0.84423E-02 5180 0.701E-01 0.921E-01 RMM: 3 -0.344064782615E+03 0.54969E-02 -0.85354E-03 5458 0.199E-01 0.270E-01 RMM: 4 -0.344065072845E+03 -0.29023E-03 -0.15284E-03 4771 0.961E-02 0.376E-01 RMM: 5 -0.344064203218E+03 0.86963E-03 -0.92054E-04 4606 0.836E-02 0.156E-01 RMM: 6 -0.344064218767E+03 -0.15549E-04 -0.32577E-04 3925 0.463E-02 0.167E-01 RMM: 7 -0.344064125225E+03 0.93543E-04 -0.14955E-04 3876 0.372E-02 0.128E-01 RMM: 8 -0.344064022157E+03 0.10307E-03 -0.53067E-05 3326 0.215E-02 0.426E-02 RMM: 9 -0.344064026276E+03 -0.41196E-05 -0.21025E-05 2566 0.131E-02 6876 T= 7110. E= 0.69307718E+03 F= 0.63425706E+03 E0= 0.66408698E+03 EK= 0.58820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343922605095E+03 0.14142E+00 -0.19515E-01 7908 0.244E+01 0.310E-01 RMM: 2 -0.343938916461E+03 -0.16311E-01 -0.94925E-02 4927 0.726E-01 0.119E+00 RMM: 3 -0.343929302508E+03 0.96140E-02 -0.10679E-02 5445 0.227E-01 0.218E-01 RMM: 4 -0.343929798671E+03 -0.49616E-03 -0.15907E-03 5001 0.947E-02 0.370E-01 RMM: 5 -0.343928998334E+03 0.80034E-03 -0.51874E-04 4558 0.599E-02 0.154E-01 RMM: 6 -0.343928872007E+03 0.12633E-03 -0.18185E-04 3878 0.352E-02 0.791E-02 RMM: 7 -0.343928910689E+03 -0.38681E-04 -0.76222E-05 3578 0.247E-02 0.111E-01 RMM: 8 -0.343928827459E+03 0.83230E-04 -0.38176E-05 3104 0.194E-02 0.244E-02 RMM: 9 -0.343928826173E+03 0.12859E-05 -0.70596E-06 2458 0.733E-03 6877 T= 6576. E= 0.68847146E+03 F= 0.63407258E+03 E0= 0.66390330E+03 EK= 0.54399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343705918649E+03 0.22291E+00 -0.17454E-01 7920 0.234E+01 0.385E-01 RMM: 2 -0.343715860370E+03 -0.99417E-02 -0.79324E-02 5159 0.652E-01 0.908E-01 RMM: 3 -0.343710441396E+03 0.54190E-02 -0.83536E-03 5391 0.207E-01 0.335E-01 RMM: 4 -0.343711327732E+03 -0.88634E-03 -0.22764E-03 5182 0.118E-01 0.508E-01 RMM: 5 -0.343709776058E+03 0.15517E-02 -0.94881E-04 4604 0.831E-02 0.194E-01 RMM: 6 -0.343709555909E+03 0.22015E-03 -0.20563E-04 3889 0.373E-02 0.834E-02 RMM: 7 -0.343709609303E+03 -0.53394E-04 -0.11691E-04 3855 0.294E-02 0.130E-01 RMM: 8 -0.343709500459E+03 0.10884E-03 -0.53727E-05 3334 0.221E-02 0.393E-02 RMM: 9 -0.343709496598E+03 0.38609E-05 -0.14341E-05 2506 0.108E-02 6878 T= 6014. E= 0.68370584E+03 F= 0.63395744E+03 E0= 0.66378288E+03 EK= 0.49748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343461043196E+03 0.24846E+00 -0.16319E-01 8064 0.224E+01 0.381E-01 RMM: 2 -0.343474303318E+03 -0.13260E-01 -0.86529E-02 5009 0.681E-01 0.110E+00 RMM: 3 -0.343466108929E+03 0.81944E-02 -0.98627E-03 5409 0.223E-01 0.267E-01 RMM: 4 -0.343467372851E+03 -0.12639E-02 -0.21498E-03 5173 0.112E-01 0.529E-01 RMM: 5 -0.343465660863E+03 0.17120E-02 -0.82760E-04 4591 0.766E-02 0.171E-01 RMM: 6 -0.343465500604E+03 0.16026E-03 -0.20417E-04 3886 0.367E-02 0.858E-02 RMM: 7 -0.343465551495E+03 -0.50890E-04 -0.89842E-05 3684 0.262E-02 0.127E-01 RMM: 8 -0.343465443768E+03 0.10773E-03 -0.45749E-05 3226 0.207E-02 0.322E-02 RMM: 9 -0.343465443730E+03 0.38417E-07 -0.12977E-05 2498 0.101E-02 6879 T= 5611. E= 0.68026921E+03 F= 0.63385236E+03 E0= 0.66366702E+03 EK= 0.46417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343229219404E+03 0.23622E+00 -0.15541E-01 8328 0.219E+01 0.359E-01 RMM: 2 -0.343238574010E+03 -0.93546E-02 -0.77244E-02 5197 0.614E-01 0.829E-01 RMM: 3 -0.343233679143E+03 0.48949E-02 -0.75357E-03 5397 0.195E-01 0.297E-01 RMM: 4 -0.343234586883E+03 -0.90774E-03 -0.19972E-03 5065 0.110E-01 0.488E-01 RMM: 5 -0.343233136867E+03 0.14500E-02 -0.86031E-04 4598 0.795E-02 0.174E-01 RMM: 6 -0.343232960100E+03 0.17677E-03 -0.16995E-04 3878 0.335E-02 0.738E-02 RMM: 7 -0.343232988322E+03 -0.28222E-04 -0.81265E-05 3624 0.253E-02 0.108E-01 RMM: 8 -0.343232912809E+03 0.75513E-04 -0.39546E-05 3139 0.196E-02 0.281E-02 RMM: 9 -0.343232916368E+03 -0.35598E-05 -0.13021E-05 2490 0.102E-02 6880 T= 5462. E= 0.67891282E+03 F= 0.63372604E+03 E0= 0.66352517E+03 EK= 0.45187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343003980532E+03 0.22893E+00 -0.16151E-01 8580 0.219E+01 0.340E-01 RMM: 2 -0.343015631595E+03 -0.11651E-01 -0.84525E-02 5127 0.635E-01 0.948E-01 RMM: 3 -0.343009139207E+03 0.64924E-02 -0.81974E-03 5447 0.198E-01 0.248E-01 RMM: 4 -0.343010037746E+03 -0.89854E-03 -0.18415E-03 4929 0.105E-01 0.465E-01 RMM: 5 -0.343008723978E+03 0.13138E-02 -0.77586E-04 4594 0.746E-02 0.159E-01 RMM: 6 -0.343008596288E+03 0.12769E-03 -0.18791E-04 3884 0.350E-02 0.901E-02 RMM: 7 -0.343008625573E+03 -0.29285E-04 -0.89826E-05 3706 0.274E-02 0.119E-01 RMM: 8 -0.343008534910E+03 0.90663E-04 -0.40104E-05 3152 0.195E-02 0.313E-02 RMM: 9 -0.343008533989E+03 0.92061E-06 -0.10827E-05 2483 0.924E-03 6881 T= 5591. E= 0.67984477E+03 F= 0.63358993E+03 E0= 0.66336962E+03 EK= 0.46255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342737007633E+03 0.27153E+00 -0.18429E-01 8796 0.225E+01 0.307E-01 RMM: 2 -0.342749192261E+03 -0.12185E-01 -0.10079E-01 5227 0.677E-01 0.814E-01 RMM: 3 -0.342744003996E+03 0.51883E-02 -0.86851E-03 5489 0.195E-01 0.245E-01 RMM: 4 -0.342744421512E+03 -0.41752E-03 -0.15694E-03 4802 0.972E-02 0.376E-01 RMM: 5 -0.342743645658E+03 0.77585E-03 -0.71557E-04 4609 0.721E-02 0.192E-01 RMM: 6 -0.342743452990E+03 0.19267E-03 -0.22228E-04 3894 0.386E-02 0.933E-02 RMM: 7 -0.342743484212E+03 -0.31222E-04 -0.12074E-04 3868 0.321E-02 0.123E-01 RMM: 8 -0.342743387497E+03 0.96716E-04 -0.50917E-05 3318 0.216E-02 0.341E-02 RMM: 9 -0.342743385311E+03 0.21860E-05 -0.12395E-05 2495 0.104E-02 6882 T= 5968. E= 0.68287679E+03 F= 0.63350133E+03 E0= 0.66325772E+03 EK= 0.49375E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342335871784E+03 0.40752E+00 -0.20839E-01 8964 0.234E+01 0.296E-01 RMM: 2 -0.342352780824E+03 -0.16909E-01 -0.10814E-01 5438 0.696E-01 0.112E+00 RMM: 3 -0.342343560312E+03 0.92205E-02 -0.83006E-03 5502 0.194E-01 0.232E-01 RMM: 4 -0.342343603851E+03 -0.43539E-04 -0.13494E-03 4655 0.877E-02 0.285E-01 RMM: 5 -0.342343122698E+03 0.48115E-03 -0.77709E-04 4607 0.781E-02 0.147E-01 RMM: 6 -0.342343119433E+03 0.32648E-05 -0.24696E-04 3893 0.403E-02 0.149E-01 RMM: 7 -0.342343061166E+03 0.58267E-04 -0.12817E-04 3861 0.350E-02 0.122E-01 RMM: 8 -0.342342967280E+03 0.93886E-04 -0.43162E-05 3207 0.198E-02 0.362E-02 RMM: 9 -0.342342965321E+03 0.19589E-05 -0.12630E-05 2496 0.103E-02 6883 T= 6498. E= 0.68731423E+03 F= 0.63356043E+03 E0= 0.66328961E+03 EK= 0.53754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341675278760E+03 0.66769E+00 -0.25125E-01 8928 0.244E+01 0.275E-01 RMM: 2 -0.341693731655E+03 -0.18453E-01 -0.14269E-01 5348 0.805E-01 0.964E-01 RMM: 3 -0.341686305478E+03 0.74262E-02 -0.11108E-02 5607 0.213E-01 0.238E-01 RMM: 4 -0.341686136320E+03 0.16916E-03 -0.12333E-03 4789 0.837E-02 0.244E-01 RMM: 5 -0.341685839885E+03 0.29644E-03 -0.71648E-04 4604 0.741E-02 0.177E-01 RMM: 6 -0.341685774114E+03 0.65771E-04 -0.31083E-04 3925 0.458E-02 0.149E-01 RMM: 7 -0.341685749521E+03 0.24593E-04 -0.16105E-04 3882 0.382E-02 0.140E-01 RMM: 8 -0.341685625132E+03 0.12439E-03 -0.55627E-05 3361 0.222E-02 0.411E-02 RMM: 9 -0.341685622091E+03 0.30407E-05 -0.14216E-05 2517 0.109E-02 6884 T= 7000. E= 0.69179495E+03 F= 0.63389005E+03 E0= 0.66358713E+03 EK= 0.57905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340661616100E+03 0.10240E+01 -0.26891E-01 8892 0.251E+01 0.281E-01 RMM: 2 -0.340679143253E+03 -0.17527E-01 -0.14769E-01 5477 0.807E-01 0.878E-01 RMM: 3 -0.340672987256E+03 0.61560E-02 -0.10560E-02 5810 0.203E-01 0.226E-01 RMM: 4 -0.340672929278E+03 0.57978E-04 -0.11292E-03 4719 0.809E-02 0.279E-01 RMM: 5 -0.340672501244E+03 0.42803E-03 -0.69636E-04 4607 0.731E-02 0.163E-01 RMM: 6 -0.340672468996E+03 0.32248E-04 -0.30937E-04 3904 0.453E-02 0.151E-01 RMM: 7 -0.340672451028E+03 0.17968E-04 -0.15928E-04 3877 0.374E-02 6885 T= 7255. E= 0.69460363E+03 F= 0.63458573E+03 E0= 0.66424484E+03 EK= 0.60018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339285053346E+03 0.13874E+01 -0.28338E-01 8916 0.252E+01 0.353E-01 RMM: 2 -0.339303763978E+03 -0.18711E-01 -0.14917E-01 5472 0.814E-01 0.102E+00 RMM: 3 -0.339295815851E+03 0.79481E-02 -0.10846E-02 5502 0.224E-01 0.297E-01 RMM: 4 -0.339295927252E+03 -0.11140E-03 -0.17946E-03 4889 0.101E-01 0.355E-01 RMM: 5 -0.339295257439E+03 0.66981E-03 -0.92821E-04 4608 0.816E-02 0.209E-01 RMM: 6 -0.339295093516E+03 0.16392E-03 -0.35390E-04 3974 0.481E-02 0.149E-01 RMM: 7 -0.339295145958E+03 -0.52442E-04 -0.22059E-04 3888 0.417E-02 0.176E-01 RMM: 8 -0.339294955809E+03 0.19015E-03 -0.10258E-04 3746 0.299E-02 0.614E-02 RMM: 9 -0.339294938508E+03 0.17302E-04 -0.21398E-05 2614 0.135E-02 6886 T= 7137. E= 0.69468776E+03 F= 0.63564968E+03 E0= 0.66526665E+03 EK= 0.59038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337668888442E+03 0.16261E+01 -0.28904E-01 8892 0.246E+01 0.340E-01 RMM: 2 -0.337692263643E+03 -0.23375E-01 -0.15360E-01 5489 0.826E-01 0.126E+00 RMM: 3 -0.337680110951E+03 0.12153E-01 -0.11590E-02 5395 0.238E-01 0.250E-01 RMM: 4 -0.337680673458E+03 -0.56251E-03 -0.19598E-03 5020 0.103E-01 0.395E-01 RMM: 5 -0.337679798821E+03 0.87464E-03 -0.57127E-04 4565 0.614E-02 0.183E-01 RMM: 6 -0.337679600147E+03 0.19867E-03 -0.18643E-04 3877 0.353E-02 0.733E-02 RMM: 7 -0.337679667667E+03 -0.67519E-04 -0.99116E-05 3687 0.261E-02 0.129E-01 RMM: 8 -0.337679569563E+03 0.98104E-04 -0.53868E-05 3315 0.221E-02 0.452E-02 RMM: 9 -0.337679558813E+03 0.10750E-04 -0.12802E-05 2505 0.103E-02 6887 T= 6712. E= 0.69247853E+03 F= 0.63694869E+03 E0= 0.66651953E+03 EK= 0.55530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336040609022E+03 0.16390E+01 -0.25800E-01 8916 0.237E+01 0.436E-01 RMM: 2 -0.336062008766E+03 -0.21400E-01 -0.14788E-01 5368 0.857E-01 0.130E+00 RMM: 3 -0.336050306027E+03 0.11703E-01 -0.13923E-02 5393 0.264E-01 0.343E-01 RMM: 4 -0.336051129983E+03 -0.82396E-03 -0.28412E-03 5301 0.125E-01 0.498E-01 RMM: 5 -0.336049739775E+03 0.13902E-02 -0.90470E-04 4617 0.777E-02 0.250E-01 RMM: 6 -0.336049360591E+03 0.37918E-03 -0.26773E-04 3895 0.427E-02 0.817E-02 RMM: 7 -0.336049456217E+03 -0.95626E-04 -0.14066E-04 3878 0.305E-02 0.152E-01 RMM: 8 -0.336049314132E+03 0.14208E-03 -0.74251E-05 3562 0.248E-02 0.532E-02 RMM: 9 -0.336049301361E+03 0.12770E-04 -0.23175E-05 2669 0.141E-02 6888 T= 6193. E= 0.68948837E+03 F= 0.63825521E+03 E0= 0.66777851E+03 EK= 0.51233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334625783762E+03 0.14235E+01 -0.20677E-01 8928 0.228E+01 0.438E-01 RMM: 2 -0.334647143120E+03 -0.21359E-01 -0.12814E-01 5300 0.817E-01 0.137E+00 RMM: 3 -0.334634149634E+03 0.12993E-01 -0.13383E-02 5394 0.258E-01 0.361E-01 RMM: 4 -0.334634879388E+03 -0.72975E-03 -0.30375E-03 5317 0.130E-01 0.496E-01 RMM: 5 -0.334633543398E+03 0.13360E-02 -0.90414E-04 4611 0.788E-02 0.249E-01 RMM: 6 -0.334633147417E+03 0.39598E-03 -0.25379E-04 3901 0.419E-02 0.776E-02 RMM: 7 -0.334633194087E+03 -0.46669E-04 -0.11671E-04 3826 0.286E-02 0.120E-01 RMM: 8 -0.334633116569E+03 0.77518E-04 -0.56757E-05 3384 0.218E-02 0.670E-02 RMM: 9 -0.334633090822E+03 0.25747E-04 -0.23270E-05 2651 0.143E-02 0.321E-02 RMM: 10 -0.334633096181E+03 -0.53593E-05 -0.14167E-05 2501 0.112E-02 6889 T= 5788. E= 0.68721979E+03 F= 0.63933966E+03 E0= 0.66881667E+03 EK= 0.47880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333574715084E+03 0.10584E+01 -0.16796E-01 8244 0.223E+01 0.374E-01 RMM: 2 -0.333587408798E+03 -0.12694E-01 -0.10217E-01 5237 0.723E-01 0.938E-01 RMM: 3 -0.333581334404E+03 0.60744E-02 -0.95178E-03 5422 0.210E-01 0.297E-01 RMM: 4 -0.333582317661E+03 -0.98326E-03 -0.22000E-03 5025 0.114E-01 0.493E-01 RMM: 5 -0.333580799102E+03 0.15186E-02 -0.83330E-04 4609 0.765E-02 0.163E-01 RMM: 6 -0.333580639065E+03 0.16004E-03 -0.16322E-04 3879 0.324E-02 0.671E-02 RMM: 7 -0.333580683172E+03 -0.44107E-04 -0.75196E-05 3549 0.233E-02 0.112E-01 RMM: 8 -0.333580603235E+03 0.79938E-04 -0.42476E-05 3158 0.202E-02 0.377E-02 RMM: 9 -0.333580600210E+03 0.30251E-05 -0.13689E-05 2505 0.106E-02 6890 T= 5622. E= 0.68656753E+03 F= 0.64005584E+03 E0= 0.66949118E+03 EK= 0.46512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332922747161E+03 0.65786E+00 -0.15186E-01 7872 0.223E+01 0.343E-01 RMM: 2 -0.332932572975E+03 -0.98258E-02 -0.76187E-02 5271 0.628E-01 0.886E-01 RMM: 3 -0.332927294637E+03 0.52783E-02 -0.71735E-03 5393 0.187E-01 0.287E-01 RMM: 4 -0.332927755860E+03 -0.46122E-03 -0.16430E-03 4741 0.981E-02 0.395E-01 RMM: 5 -0.332926975170E+03 0.78069E-03 -0.67038E-04 4594 0.676E-02 0.228E-01 RMM: 6 -0.332926631063E+03 0.34411E-03 -0.26242E-04 3898 0.427E-02 0.633E-02 RMM: 7 -0.332926705279E+03 -0.74216E-04 -0.93534E-05 3689 0.272E-02 0.128E-01 RMM: 8 -0.332926599546E+03 0.10573E-03 -0.42391E-05 3161 0.204E-02 0.402E-02 RMM: 9 -0.332926592127E+03 0.74194E-05 -0.13119E-05 2498 0.105E-02 6891 T= 5737. E= 0.68783899E+03 F= 0.64037514E+03 E0= 0.66977485E+03 EK= 0.47464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332597830277E+03 0.32877E+00 -0.16700E-01 8388 0.228E+01 0.332E-01 RMM: 2 -0.332616640123E+03 -0.18810E-01 -0.93686E-02 5240 0.699E-01 0.133E+00 RMM: 3 -0.332604166675E+03 0.12473E-01 -0.97180E-03 5416 0.218E-01 0.243E-01 RMM: 4 -0.332604352354E+03 -0.18568E-03 -0.16630E-03 4765 0.957E-02 0.317E-01 RMM: 5 -0.332603915485E+03 0.43687E-03 -0.66471E-04 4598 0.692E-02 0.219E-01 RMM: 6 -0.332603636102E+03 0.27938E-03 -0.27311E-04 3890 0.431E-02 0.897E-02 RMM: 7 -0.332603710993E+03 -0.74891E-04 -0.13690E-04 3878 0.332E-02 0.143E-01 RMM: 8 -0.332603582962E+03 0.12803E-03 -0.57734E-05 3401 0.231E-02 0.443E-02 RMM: 9 -0.332603573809E+03 0.91525E-05 -0.11743E-05 2506 0.992E-03 6892 T= 6104. E= 0.69086380E+03 F= 0.64037135E+03 E0= 0.66974414E+03 EK= 0.50492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332472770775E+03 0.13081E+00 -0.19184E-01 8868 0.237E+01 0.324E-01 RMM: 2 -0.332490921444E+03 -0.18151E-01 -0.11819E-01 5383 0.772E-01 0.116E+00 RMM: 3 -0.332481518319E+03 0.94031E-02 -0.10719E-02 5500 0.224E-01 0.307E-01 RMM: 4 -0.332481045155E+03 0.47316E-03 -0.13558E-03 4663 0.826E-02 0.213E-01 RMM: 5 -0.332480909005E+03 0.13615E-03 -0.65271E-04 4600 0.708E-02 0.208E-01 RMM: 6 -0.332480700493E+03 0.20851E-03 -0.32795E-04 3968 0.479E-02 0.119E-01 RMM: 7 -0.332480810986E+03 -0.11049E-03 -0.17603E-04 3884 0.374E-02 0.178E-01 RMM: 8 -0.332480607644E+03 0.20334E-03 -0.87837E-05 3644 0.274E-02 0.487E-02 RMM: 9 -0.332480598322E+03 0.93226E-05 -0.17193E-05 2554 0.119E-02 6893 T= 6615. E= 0.69490159E+03 F= 0.64017926E+03 E0= 0.66953561E+03 EK= 0.54722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332398881462E+03 0.81726E-01 -0.22382E-01 8868 0.246E+01 0.336E-01 RMM: 2 -0.332428212955E+03 -0.29331E-01 -0.16030E-01 5312 0.898E-01 0.153E+00 RMM: 3 -0.332411354340E+03 0.16859E-01 -0.15345E-02 5525 0.265E-01 0.286E-01 RMM: 4 -0.332410907080E+03 0.44726E-03 -0.16334E-03 4753 0.886E-02 0.210E-01 RMM: 5 -0.332410691730E+03 0.21535E-03 -0.55542E-04 4591 0.650E-02 0.180E-01 RMM: 6 -0.332410596602E+03 0.95127E-04 -0.30422E-04 3922 0.454E-02 0.147E-01 RMM: 7 -0.332410665565E+03 -0.68962E-04 -0.19678E-04 3894 0.384E-02 0.182E-01 RMM: 8 -0.332410451766E+03 0.21380E-03 -0.10017E-04 3734 0.287E-02 0.488E-02 RMM: 9 -0.332410444984E+03 0.67824E-05 -0.18473E-05 2564 0.122E-02 6894 T= 7084. E= 0.69854788E+03 F= 0.63994597E+03 E0= 0.66929748E+03 EK= 0.58602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332270752304E+03 0.13970E+00 -0.24157E-01 9000 0.251E+01 0.319E-01 RMM: 2 -0.332295833374E+03 -0.25081E-01 -0.17121E-01 5369 0.889E-01 0.127E+00 RMM: 3 -0.332284002523E+03 0.11831E-01 -0.13888E-02 5549 0.247E-01 0.303E-01 RMM: 4 -0.332283487964E+03 0.51456E-03 -0.15234E-03 4747 0.866E-02 0.204E-01 RMM: 5 -0.332283258949E+03 0.22902E-03 -0.54575E-04 4584 0.644E-02 0.174E-01 RMM: 6 -0.332283182880E+03 0.76068E-04 -0.30132E-04 3911 0.452E-02 0.149E-01 RMM: 7 -0.332283244907E+03 -0.62027E-04 -0.18982E-04 3886 0.378E-02 0.181E-01 RMM: 8 -0.332283030939E+03 0.21397E-03 -0.98305E-05 3745 0.282E-02 0.506E-02 RMM: 9 -0.332283021073E+03 0.98655E-05 -0.21005E-05 2584 0.130E-02 6895 T= 7298. E= 0.70014884E+03 F= 0.63977754E+03 E0= 0.66913511E+03 EK= 0.60371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332050215347E+03 0.23282E+00 -0.25427E-01 8844 0.250E+01 0.308E-01 RMM: 2 -0.332074762462E+03 -0.24547E-01 -0.17126E-01 5423 0.847E-01 0.121E+00 RMM: 3 -0.332062952563E+03 0.11810E-01 -0.12231E-02 5468 0.236E-01 0.239E-01 RMM: 4 -0.332062967802E+03 -0.15239E-04 -0.16077E-03 4803 0.915E-02 0.286E-01 RMM: 5 -0.332062488851E+03 0.47895E-03 -0.58585E-04 4581 0.649E-02 0.167E-01 RMM: 6 -0.332062423568E+03 0.65283E-04 -0.27830E-04 3896 0.424E-02 0.143E-01 RMM: 7 -0.332062422288E+03 0.12804E-05 -0.16034E-04 3896 0.355E-02 6896 T= 7148. E= 0.69883976E+03 F= 0.63970338E+03 E0= 0.66907518E+03 EK= 0.59136E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331781465520E+03 0.28096E+00 -0.26210E-01 8784 0.243E+01 0.372E-01 RMM: 2 -0.331804584042E+03 -0.23119E-01 -0.16605E-01 5367 0.852E-01 0.120E+00 RMM: 3 -0.331793218209E+03 0.11366E-01 -0.12465E-02 5460 0.247E-01 0.297E-01 RMM: 4 -0.331793562542E+03 -0.34433E-03 -0.22641E-03 5168 0.114E-01 0.397E-01 RMM: 5 -0.331792707930E+03 0.85461E-03 -0.77579E-04 4588 0.724E-02 0.222E-01 RMM: 6 -0.331792457601E+03 0.25033E-03 -0.32984E-04 3931 0.468E-02 0.122E-01 RMM: 7 -0.331792507230E+03 -0.49629E-04 -0.19828E-04 3901 0.390E-02 0.154E-01 RMM: 8 -0.331792352091E+03 0.15514E-03 -0.92917E-05 3664 0.279E-02 0.431E-02 RMM: 9 -0.331792350046E+03 0.20445E-05 -0.19101E-05 2567 0.122E-02 6897 T= 6717. E= 0.69523974E+03 F= 0.63967309E+03 E0= 0.66906388E+03 EK= 0.55567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331546003750E+03 0.24635E+00 -0.25056E-01 8568 0.234E+01 0.331E-01 RMM: 2 -0.331568246183E+03 -0.22242E-01 -0.16131E-01 5458 0.839E-01 0.114E+00 RMM: 3 -0.331557825364E+03 0.10421E-01 -0.12145E-02 5472 0.237E-01 0.220E-01 RMM: 4 -0.331558466051E+03 -0.64069E-03 -0.17525E-03 4975 0.975E-02 0.406E-01 RMM: 5 -0.331557411078E+03 0.10550E-02 -0.58859E-04 4582 0.640E-02 0.127E-01 RMM: 6 -0.331557343170E+03 0.67908E-04 -0.16099E-04 3884 0.327E-02 0.841E-02 RMM: 7 -0.331557392465E+03 -0.49295E-04 -0.75333E-05 3564 0.236E-02 0.123E-01 RMM: 8 -0.331557294230E+03 0.98236E-04 -0.43394E-05 3164 0.202E-02 0.293E-02 RMM: 9 -0.331557292002E+03 0.22283E-05 -0.10271E-05 2479 0.901E-03 6898 T= 6205. E= 0.69093087E+03 F= 0.63959755E+03 E0= 0.66900788E+03 EK= 0.51333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331427259177E+03 0.13004E+00 -0.22926E-01 8652 0.226E+01 0.388E-01 RMM: 2 -0.331447451621E+03 -0.20192E-01 -0.14380E-01 5487 0.797E-01 0.117E+00 RMM: 3 -0.331436893904E+03 0.10558E-01 -0.11124E-02 5437 0.232E-01 0.274E-01 RMM: 4 -0.331437798845E+03 -0.90494E-03 -0.24832E-03 5213 0.121E-01 0.475E-01 RMM: 5 -0.331436455997E+03 0.13428E-02 -0.83943E-04 4604 0.768E-02 0.198E-01 RMM: 6 -0.331436223754E+03 0.23224E-03 -0.22446E-04 3903 0.388E-02 0.850E-02 RMM: 7 -0.331436274135E+03 -0.50381E-04 -0.11679E-04 3879 0.291E-02 0.128E-01 RMM: 8 -0.331436168230E+03 0.10591E-03 -0.52721E-05 3329 0.215E-02 0.396E-02 RMM: 9 -0.331436162546E+03 0.56835E-05 -0.14188E-05 2507 0.107E-02 6899 T= 5803. E= 0.68740196E+03 F= 0.63939682E+03 E0= 0.66882488E+03 EK= 0.48005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331466025996E+03 -0.29858E-01 -0.20480E-01 8760 0.221E+01 0.356E-01 RMM: 2 -0.331481667256E+03 -0.15641E-01 -0.12080E-01 5510 0.722E-01 0.983E-01 RMM: 3 -0.331473974240E+03 0.76930E-02 -0.89205E-03 5481 0.207E-01 0.247E-01 RMM: 4 -0.331474983598E+03 -0.10094E-02 -0.17970E-03 4884 0.101E-01 0.478E-01 RMM: 5 -0.331473489827E+03 0.14938E-02 -0.76743E-04 4599 0.740E-02 0.126E-01 RMM: 6 -0.331473443845E+03 0.45982E-04 -0.17903E-04 3876 0.337E-02 0.102E-01 RMM: 7 -0.331473450984E+03 -0.71396E-05 -0.75025E-05 3586 0.247E-02 6900 T= 5620. E= 0.68552299E+03 F= 0.63902940E+03 E0= 0.66847117E+03 EK= 0.46494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331662949273E+03 -0.18951E+00 -0.19694E-01 8940 0.221E+01 0.360E-01 RMM: 2 -0.331678523435E+03 -0.15574E-01 -0.10838E-01 5387 0.706E-01 0.108E+00 RMM: 3 -0.331669978809E+03 0.85446E-02 -0.90694E-03 5567 0.207E-01 0.259E-01 RMM: 4 -0.331670719367E+03 -0.74056E-03 -0.18794E-03 4884 0.105E-01 0.442E-01 RMM: 5 -0.331669577708E+03 0.11417E-02 -0.76485E-04 4590 0.729E-02 0.190E-01 RMM: 6 -0.331669391904E+03 0.18580E-03 -0.26823E-04 3897 0.424E-02 0.103E-01 RMM: 7 -0.331669449505E+03 -0.57600E-04 -0.13024E-04 3873 0.321E-02 0.142E-01 RMM: 8 -0.331669314194E+03 0.13531E-03 -0.64769E-05 3448 0.240E-02 0.402E-02 RMM: 9 -0.331669310177E+03 0.40166E-05 -0.15975E-05 2531 0.116E-02 6901 T= 5692. E= 0.68559172E+03 F= 0.63850099E+03 E0= 0.66795201E+03 EK= 0.47091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331971247597E+03 -0.30193E+00 -0.19496E-01 8568 0.226E+01 0.301E-01 RMM: 2 -0.331989675215E+03 -0.18428E-01 -0.11909E-01 5220 0.750E-01 0.112E+00 RMM: 3 -0.331980033316E+03 0.96419E-02 -0.10718E-02 5612 0.213E-01 0.219E-01 RMM: 4 -0.331980175058E+03 -0.14174E-03 -0.15604E-03 4832 0.955E-02 0.308E-01 RMM: 5 -0.331979680158E+03 0.49490E-03 -0.68966E-04 4606 0.715E-02 0.174E-01 RMM: 6 -0.331979523362E+03 0.15680E-03 -0.23536E-04 3910 0.403E-02 0.899E-02 RMM: 7 -0.331979573002E+03 -0.49640E-04 -0.95527E-05 3714 0.281E-02 0.128E-01 RMM: 8 -0.331979464872E+03 0.10813E-03 -0.44713E-05 3235 0.207E-02 0.314E-02 RMM: 9 -0.331979460670E+03 0.42024E-05 -0.82242E-06 2478 0.832E-03 6902 T= 5997. E= 0.68747042E+03 F= 0.63786236E+03 E0= 0.66731707E+03 EK= 0.49608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332310376720E+03 -0.33091E+00 -0.19521E-01 8676 0.235E+01 0.315E-01 RMM: 2 -0.332328500014E+03 -0.18123E-01 -0.11038E-01 5336 0.740E-01 0.120E+00 RMM: 3 -0.332318304003E+03 0.10196E-01 -0.10221E-02 5623 0.216E-01 0.254E-01 RMM: 4 -0.332318187286E+03 0.11672E-03 -0.13933E-03 4696 0.882E-02 0.265E-01 RMM: 5 -0.332317872047E+03 0.31524E-03 -0.73605E-04 4606 0.751E-02 0.197E-01 RMM: 6 -0.332317713528E+03 0.15852E-03 -0.30237E-04 3918 0.455E-02 0.127E-01 RMM: 7 -0.332317695851E+03 0.17678E-04 -0.13957E-04 3870 0.364E-02 6903 T= 6449. E= 0.69055143E+03 F= 0.63720440E+03 E0= 0.66665732E+03 EK= 0.53347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332558317970E+03 -0.24060E+00 -0.20246E-01 8736 0.244E+01 0.284E-01 RMM: 2 -0.332571111484E+03 -0.12794E-01 -0.10980E-01 5407 0.736E-01 0.778E-01 RMM: 3 -0.332566562382E+03 0.45491E-02 -0.87887E-03 5867 0.183E-01 0.236E-01 RMM: 4 -0.332566427854E+03 0.13453E-03 -0.10672E-03 4652 0.818E-02 0.275E-01 RMM: 5 -0.332565965061E+03 0.46279E-03 -0.90042E-04 4608 0.847E-02 0.143E-01 RMM: 6 -0.332566128279E+03 -0.16322E-03 -0.37632E-04 4002 0.496E-02 0.213E-01 RMM: 7 -0.332565895194E+03 0.23309E-03 -0.17533E-04 3884 0.403E-02 0.115E-01 RMM: 8 -0.332565811911E+03 0.83282E-04 -0.48388E-05 3252 0.203E-02 0.401E-02 RMM: 9 -0.332565821852E+03 -0.99409E-05 -0.23876E-05 2625 0.141E-02 6904 T= 6894. E= 0.69367491E+03 F= 0.63664655E+03 E0= 0.66609034E+03 EK= 0.57028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332597857027E+03 -0.32045E-01 -0.21354E-01 8640 0.250E+01 0.261E-01 RMM: 2 -0.332615926134E+03 -0.18069E-01 -0.11758E-01 5291 0.777E-01 0.112E+00 RMM: 3 -0.332606907009E+03 0.90191E-02 -0.10454E-02 5745 0.210E-01 0.219E-01 RMM: 4 -0.332606603133E+03 0.30388E-03 -0.10145E-03 4684 0.745E-02 0.180E-01 RMM: 5 -0.332606413001E+03 0.19013E-03 -0.46537E-04 4561 0.606E-02 0.135E-01 RMM: 6 -0.332606394779E+03 0.18222E-04 -0.25517E-04 3895 0.428E-02 0.126E-01 RMM: 7 -0.332606407986E+03 -0.13207E-04 -0.97280E-05 3721 0.285E-02 6905 T= 7143. E= 0.69539231E+03 F= 0.63630373E+03 E0= 0.66573061E+03 EK= 0.59089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332360954894E+03 0.24544E+00 -0.21088E-01 8544 0.252E+01 0.321E-01 RMM: 2 -0.332373678817E+03 -0.12724E-01 -0.10997E-01 5451 0.724E-01 0.821E-01 RMM: 3 -0.332368638273E+03 0.50405E-02 -0.82722E-03 5751 0.187E-01 0.259E-01 RMM: 4 -0.332368910819E+03 -0.27255E-03 -0.15669E-03 4711 0.100E-01 0.371E-01 RMM: 5 -0.332368060855E+03 0.84996E-03 -0.94437E-04 4609 0.835E-02 0.156E-01 RMM: 6 -0.332368104770E+03 -0.43915E-04 -0.31631E-04 3933 0.458E-02 0.180E-01 RMM: 7 -0.332367961058E+03 0.14371E-03 -0.16837E-04 3885 0.398E-02 0.116E-01 RMM: 8 -0.332367874422E+03 0.86636E-04 -0.57552E-05 3364 0.223E-02 0.385E-02 RMM: 9 -0.332367882093E+03 -0.76706E-05 -0.20295E-05 2563 0.132E-02 6906 T= 7074. E= 0.69476516E+03 F= 0.63624235E+03 E0= 0.66564538E+03 EK= 0.58523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331853309402E+03 0.51457E+00 -0.21201E-01 8460 0.248E+01 0.294E-01 RMM: 2 -0.331870860516E+03 -0.17551E-01 -0.11849E-01 5213 0.769E-01 0.111E+00 RMM: 3 -0.331861899532E+03 0.89610E-02 -0.10591E-02 5735 0.215E-01 0.206E-01 RMM: 4 -0.331862043092E+03 -0.14356E-03 -0.13012E-03 4764 0.871E-02 0.289E-01 RMM: 5 -0.331861549850E+03 0.49324E-03 -0.47592E-04 4531 0.573E-02 0.150E-01 RMM: 6 -0.331861452593E+03 0.97257E-04 -0.22055E-04 3889 0.390E-02 0.958E-02 RMM: 7 -0.331861495323E+03 -0.42731E-04 -0.87206E-05 3654 0.269E-02 0.127E-01 RMM: 8 -0.331861385070E+03 0.11025E-03 -0.44269E-05 3204 0.206E-02 0.286E-02 RMM: 9 -0.331861382386E+03 0.26844E-05 -0.86537E-06 2477 0.831E-03 6907 T= 6724. E= 0.69206745E+03 F= 0.63644552E+03 E0= 0.66581851E+03 EK= 0.55622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331169447485E+03 0.69194E+00 -0.19343E-01 8400 0.240E+01 0.368E-01 RMM: 2 -0.331182839620E+03 -0.13392E-01 -0.10101E-01 5436 0.701E-01 0.100E+00 RMM: 3 -0.331175630369E+03 0.72093E-02 -0.84215E-03 5539 0.202E-01 0.294E-01 RMM: 4 -0.331176307968E+03 -0.67760E-03 -0.20867E-03 4987 0.112E-01 0.447E-01 RMM: 5 -0.331175171624E+03 0.11363E-02 -0.79936E-04 4604 0.745E-02 0.206E-01 RMM: 6 -0.331174905135E+03 0.26649E-03 -0.22145E-04 3903 0.389E-02 0.730E-02 RMM: 7 -0.331174984600E+03 -0.79466E-04 -0.11526E-04 3864 0.290E-02 0.136E-01 RMM: 8 -0.331174858903E+03 0.12570E-03 -0.55892E-05 3363 0.227E-02 0.348E-02 RMM: 9 -0.331174855705E+03 0.31982E-05 -0.14469E-05 2516 0.109E-02 6908 T= 6255. E= 0.68856954E+03 F= 0.63682106E+03 E0= 0.66616030E+03 EK= 0.51748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330430381515E+03 0.74448E+00 -0.17824E-01 8172 0.232E+01 0.376E-01 RMM: 2 -0.330446065074E+03 -0.15684E-01 -0.10441E-01 5217 0.745E-01 0.114E+00 RMM: 3 -0.330437004131E+03 0.90609E-02 -0.10626E-02 5540 0.225E-01 0.270E-01 RMM: 4 -0.330437802796E+03 -0.79866E-03 -0.21258E-03 4993 0.112E-01 0.449E-01 RMM: 5 -0.330436506783E+03 0.12960E-02 -0.68186E-04 4597 0.675E-02 0.159E-01 RMM: 6 -0.330436363902E+03 0.14288E-03 -0.18005E-04 3884 0.345E-02 0.790E-02 RMM: 7 -0.330436410260E+03 -0.46358E-04 -0.88938E-05 3673 0.257E-02 0.119E-01 RMM: 8 -0.330436316049E+03 0.94211E-04 -0.45401E-05 3218 0.206E-02 0.358E-02 RMM: 9 -0.330436311075E+03 0.49738E-05 -0.12291E-05 2496 0.100E-02 6909 T= 5854. E= 0.68566598E+03 F= 0.63724000E+03 E0= 0.66654417E+03 EK= 0.48426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329767667278E+03 0.66865E+00 -0.16136E-01 7992 0.226E+01 0.384E-01 RMM: 2 -0.329781649851E+03 -0.13983E-01 -0.82557E-02 5371 0.669E-01 0.119E+00 RMM: 3 -0.329772267834E+03 0.93820E-02 -0.86147E-03 5511 0.209E-01 0.286E-01 RMM: 4 -0.329773083749E+03 -0.81591E-03 -0.21703E-03 4963 0.115E-01 0.458E-01 RMM: 5 -0.329771886951E+03 0.11968E-02 -0.73544E-04 4600 0.708E-02 0.211E-01 RMM: 6 -0.329771590263E+03 0.29669E-03 -0.21794E-04 3894 0.383E-02 0.643E-02 RMM: 7 -0.329771658029E+03 -0.67766E-04 -0.10217E-04 3808 0.269E-02 0.124E-01 RMM: 8 -0.329771552850E+03 0.10518E-03 -0.47783E-05 3262 0.211E-02 0.351E-02 RMM: 9 -0.329771548135E+03 0.47153E-05 -0.13832E-05 2512 0.107E-02 6910 T= 5645. E= 0.68427813E+03 F= 0.63757932E+03 E0= 0.66684940E+03 EK= 0.46699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329272542292E+03 0.49901E+00 -0.15504E-01 7872 0.224E+01 0.344E-01 RMM: 2 -0.329284198557E+03 -0.11656E-01 -0.79213E-02 5208 0.662E-01 0.100E+00 RMM: 3 -0.329277423512E+03 0.67750E-02 -0.83011E-03 5475 0.200E-01 0.258E-01 RMM: 4 -0.329278112336E+03 -0.68882E-03 -0.18702E-03 4850 0.107E-01 0.417E-01 RMM: 5 -0.329276995466E+03 0.11169E-02 -0.63687E-04 4580 0.654E-02 0.151E-01 RMM: 6 -0.329276875178E+03 0.12029E-03 -0.17108E-04 3892 0.338E-02 0.827E-02 RMM: 7 -0.329276910004E+03 -0.34826E-04 -0.83724E-05 3636 0.254E-02 0.113E-01 RMM: 8 -0.329276823898E+03 0.86107E-04 -0.42210E-05 3184 0.201E-02 0.351E-02 RMM: 9 -0.329276818417E+03 0.54803E-05 -0.10606E-05 2490 0.938E-03 6911 T= 5686. E= 0.68478736E+03 F= 0.63774837E+03 E0= 0.66698665E+03 EK= 0.47039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329002465823E+03 0.27436E+00 -0.15515E-01 7992 0.227E+01 0.351E-01 RMM: 2 -0.329017461809E+03 -0.14996E-01 -0.75838E-02 5257 0.672E-01 0.126E+00 RMM: 3 -0.329006977459E+03 0.10484E-01 -0.89507E-03 5442 0.219E-01 0.271E-01 RMM: 4 -0.329007110454E+03 -0.13300E-03 -0.16525E-03 4745 0.979E-02 0.325E-01 RMM: 5 -0.329006717858E+03 0.39260E-03 -0.63906E-04 4603 0.670E-02 0.239E-01 RMM: 6 -0.329006339223E+03 0.37863E-03 -0.27299E-04 3909 0.434E-02 0.687E-02 RMM: 7 -0.329006421151E+03 -0.81928E-04 -0.11570E-04 3845 0.293E-02 0.134E-01 RMM: 8 -0.329006300784E+03 0.12037E-03 -0.53102E-05 3344 0.225E-02 0.375E-02 RMM: 9 -0.329006294065E+03 0.67191E-05 -0.12621E-05 2504 0.105E-02 6912 T= 5976. E= 0.68713355E+03 F= 0.63769934E+03 E0= 0.66690874E+03 EK= 0.49434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328961017433E+03 0.45283E-01 -0.16565E-01 7956 0.235E+01 0.291E-01 RMM: 2 -0.328972407440E+03 -0.11390E-01 -0.76570E-02 5305 0.672E-01 0.964E-01 RMM: 3 -0.328966217066E+03 0.61904E-02 -0.75372E-03 5528 0.192E-01 0.235E-01 RMM: 4 -0.328966217384E+03 -0.31856E-06 -0.12205E-03 4663 0.861E-02 0.259E-01 RMM: 5 -0.328965831487E+03 0.38590E-03 -0.55022E-04 4595 0.636E-02 0.157E-01 RMM: 6 -0.328965748211E+03 0.83276E-04 -0.23853E-04 3902 0.410E-02 0.116E-01 RMM: 7 -0.328965764217E+03 -0.16006E-04 -0.10951E-04 3810 0.307E-02 6913 T= 6447. E= 0.69076838E+03 F= 0.63743108E+03 E0= 0.66661413E+03 EK= 0.53337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329100486935E+03 -0.13474E+00 -0.18266E-01 8016 0.244E+01 0.316E-01 RMM: 2 -0.329115311638E+03 -0.14825E-01 -0.93417E-02 5282 0.764E-01 0.113E+00 RMM: 3 -0.329107231373E+03 0.80803E-02 -0.96339E-03 5550 0.214E-01 0.272E-01 RMM: 4 -0.329106916252E+03 0.31512E-03 -0.12033E-03 4677 0.835E-02 0.230E-01 RMM: 5 -0.329106673040E+03 0.24321E-03 -0.81663E-04 4608 0.816E-02 0.188E-01 RMM: 6 -0.329106594940E+03 0.78100E-04 -0.35214E-04 4076 0.488E-02 0.158E-01 RMM: 7 -0.329106530241E+03 0.64699E-04 -0.16079E-04 3886 0.382E-02 0.130E-01 RMM: 8 -0.329106422531E+03 0.10771E-03 -0.51209E-05 3318 0.216E-02 0.419E-02 RMM: 9 -0.329106423646E+03 -0.11148E-05 -0.20008E-05 2555 0.129E-02 6914 T= 6953. E= 0.69450964E+03 F= 0.63699359E+03 E0= 0.66615247E+03 EK= 0.57516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329332417309E+03 -0.22599E+00 -0.20013E-01 7968 0.251E+01 0.305E-01 RMM: 2 -0.329351048613E+03 -0.18631E-01 -0.10720E-01 5208 0.828E-01 0.127E+00 RMM: 3 -0.329340343792E+03 0.10705E-01 -0.11814E-02 5487 0.246E-01 0.262E-01 RMM: 4 -0.329339919346E+03 0.42445E-03 -0.11624E-03 4686 0.765E-02 0.158E-01 RMM: 5 -0.329339833694E+03 0.85652E-04 -0.46333E-04 4597 0.609E-02 0.164E-01 RMM: 6 -0.329339701171E+03 0.13252E-03 -0.27877E-04 3958 0.458E-02 0.934E-02 RMM: 7 -0.329339763591E+03 -0.62421E-04 -0.94827E-05 3743 0.281E-02 0.137E-01 RMM: 8 -0.329339636575E+03 0.12702E-03 -0.44064E-05 3195 0.204E-02 0.313E-02 RMM: 9 -0.329339632037E+03 0.45385E-05 -0.93375E-06 2485 0.889E-03 6915 T= 7281. E= 0.69670621E+03 F= 0.63647274E+03 E0= 0.66560775E+03 EK= 0.60233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329560591574E+03 -0.22095E+00 -0.21073E-01 7776 0.254E+01 0.298E-01 RMM: 2 -0.329576373555E+03 -0.15782E-01 -0.10731E-01 5141 0.815E-01 0.108E+00 RMM: 3 -0.329568769552E+03 0.76040E-02 -0.11328E-02 5613 0.224E-01 0.243E-01 RMM: 4 -0.329568551140E+03 0.21841E-03 -0.12227E-03 4805 0.856E-02 0.241E-01 RMM: 5 -0.329568294143E+03 0.25700E-03 -0.76394E-04 4606 0.785E-02 0.186E-01 RMM: 6 -0.329568182433E+03 0.11171E-03 -0.30699E-04 3924 0.455E-02 0.143E-01 RMM: 7 -0.329568160587E+03 0.21847E-04 -0.17441E-04 3890 0.394E-02 0.138E-01 RMM: 8 -0.329568035591E+03 0.12500E-03 -0.68402E-05 3487 0.245E-02 0.401E-02 RMM: 9 -0.329568034088E+03 0.15036E-05 -0.17505E-05 2539 0.122E-02 6916 T= 7268. E= 0.69608559E+03 F= 0.63596019E+03 E0= 0.66507152E+03 EK= 0.60125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329717604213E+03 -0.14957E+00 -0.20919E-01 7704 0.250E+01 0.300E-01 RMM: 2 -0.329734142105E+03 -0.16538E-01 -0.97681E-02 4966 0.778E-01 0.117E+00 RMM: 3 -0.329724881180E+03 0.92609E-02 -0.11503E-02 5510 0.237E-01 0.238E-01 RMM: 4 -0.329724767130E+03 0.11405E-03 -0.12736E-03 4893 0.852E-02 0.242E-01 RMM: 5 -0.329724534297E+03 0.23283E-03 -0.61052E-04 4598 0.687E-02 0.191E-01 RMM: 6 -0.329724356709E+03 0.17759E-03 -0.25065E-04 3900 0.422E-02 0.104E-01 RMM: 7 -0.329724411934E+03 -0.55225E-04 -0.13128E-04 3869 0.329E-02 0.142E-01 RMM: 8 -0.329724276635E+03 0.13530E-03 -0.67022E-05 3497 0.247E-02 0.364E-02 RMM: 9 -0.329724272330E+03 0.43055E-05 -0.11905E-05 2506 0.101E-02 6917 T= 6916. E= 0.69273030E+03 F= 0.63551655E+03 E0= 0.66460350E+03 EK= 0.57214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329790923001E+03 -0.66646E-01 -0.19859E-01 7656 0.242E+01 0.315E-01 RMM: 2 -0.329803865687E+03 -0.12943E-01 -0.91444E-02 4920 0.728E-01 0.968E-01 RMM: 3 -0.329797183599E+03 0.66821E-02 -0.10357E-02 5450 0.225E-01 0.216E-01 RMM: 4 -0.329797827617E+03 -0.64402E-03 -0.17065E-03 5172 0.103E-01 0.398E-01 RMM: 5 -0.329796937354E+03 0.89026E-03 -0.62580E-04 4600 0.684E-02 0.180E-01 RMM: 6 -0.329796747724E+03 0.18963E-03 -0.20440E-04 3887 0.375E-02 0.818E-02 RMM: 7 -0.329796774404E+03 -0.26680E-04 -0.97607E-05 3765 0.294E-02 0.110E-01 RMM: 8 -0.329796694442E+03 0.79962E-04 -0.36934E-05 3086 0.191E-02 0.327E-02 RMM: 9 -0.329796692907E+03 0.15349E-05 -0.11363E-05 2487 0.950E-03 6918 T= 6393. E= 0.68803385E+03 F= 0.63514797E+03 E0= 0.66420936E+03 EK= 0.52886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329812907776E+03 -0.16213E-01 -0.18471E-01 7704 0.233E+01 0.337E-01 RMM: 2 -0.329824357630E+03 -0.11450E-01 -0.84892E-02 4913 0.709E-01 0.933E-01 RMM: 3 -0.329818413442E+03 0.59442E-02 -0.99499E-03 5439 0.223E-01 0.239E-01 RMM: 4 -0.329819226061E+03 -0.81262E-03 -0.17220E-03 5143 0.102E-01 0.434E-01 RMM: 5 -0.329818067757E+03 0.11583E-02 -0.67582E-04 4600 0.707E-02 0.160E-01 RMM: 6 -0.329817921870E+03 0.14589E-03 -0.15531E-04 3881 0.327E-02 0.737E-02 RMM: 7 -0.329817969664E+03 -0.47795E-04 -0.82996E-05 3623 0.257E-02 0.118E-01 RMM: 8 -0.329817876980E+03 0.92685E-04 -0.44448E-05 3198 0.208E-02 0.343E-02 RMM: 9 -0.329817872411E+03 0.45690E-05 -0.11258E-05 2491 0.963E-03 6919 T= 5907. E= 0.68368743E+03 F= 0.63481953E+03 E0= 0.66385472E+03 EK= 0.48868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329836365465E+03 -0.18488E-01 -0.17382E-01 7464 0.226E+01 0.353E-01 RMM: 2 -0.329847863408E+03 -0.11498E-01 -0.82161E-02 5021 0.696E-01 0.972E-01 RMM: 3 -0.329841381375E+03 0.64820E-02 -0.93325E-03 5447 0.210E-01 0.226E-01 RMM: 4 -0.329842276142E+03 -0.89477E-03 -0.19007E-03 5099 0.108E-01 0.448E-01 RMM: 5 -0.329840981281E+03 0.12949E-02 -0.77661E-04 4596 0.755E-02 0.128E-01 RMM: 6 -0.329840900266E+03 0.81015E-04 -0.14485E-04 3871 0.311E-02 0.810E-02 RMM: 7 -0.329840932641E+03 -0.32375E-04 -0.74776E-05 3559 0.248E-02 0.115E-01 RMM: 8 -0.329840845554E+03 0.87088E-04 -0.36640E-05 3084 0.189E-02 0.300E-02 RMM: 9 -0.329840845211E+03 0.34226E-06 -0.11120E-05 2486 0.927E-03 6920 T= 5606. E= 0.68085936E+03 F= 0.63447992E+03 E0= 0.66348747E+03 EK= 0.46379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329912075282E+03 -0.71230E-01 -0.16513E-01 7632 0.223E+01 0.340E-01 RMM: 2 -0.329923135831E+03 -0.11061E-01 -0.73105E-02 5025 0.660E-01 0.100E+00 RMM: 3 -0.329916514171E+03 0.66217E-02 -0.86371E-03 5440 0.208E-01 0.244E-01 RMM: 4 -0.329917291259E+03 -0.77709E-03 -0.17691E-03 4996 0.103E-01 0.432E-01 RMM: 5 -0.329916218467E+03 0.10728E-02 -0.66816E-04 4573 0.689E-02 0.185E-01 RMM: 6 -0.329916008989E+03 0.20948E-03 -0.17385E-04 3885 0.346E-02 0.663E-02 RMM: 7 -0.329916058901E+03 -0.49912E-04 -0.86028E-05 3659 0.262E-02 0.114E-01 RMM: 8 -0.329915970511E+03 0.88390E-04 -0.40696E-05 3143 0.201E-02 0.325E-02 RMM: 9 -0.329915966756E+03 0.37550E-05 -0.10629E-05 2486 0.931E-03 6921 T= 5559. E= 0.68007243E+03 F= 0.63408411E+03 E0= 0.66306278E+03 EK= 0.45988E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330071413707E+03 -0.15544E+00 -0.16191E-01 7776 0.224E+01 0.323E-01 RMM: 2 -0.330082396455E+03 -0.10983E-01 -0.69718E-02 5024 0.651E-01 0.999E-01 RMM: 3 -0.330075779654E+03 0.66168E-02 -0.83090E-03 5421 0.202E-01 0.228E-01 RMM: 4 -0.330076300994E+03 -0.52134E-03 -0.15929E-03 4861 0.974E-02 0.375E-01 RMM: 5 -0.330075488658E+03 0.81234E-03 -0.62596E-04 4586 0.674E-02 0.172E-01 RMM: 6 -0.330075318372E+03 0.17029E-03 -0.17362E-04 3881 0.344E-02 0.794E-02 RMM: 7 -0.330075361897E+03 -0.43525E-04 -0.96159E-05 3729 0.279E-02 0.118E-01 RMM: 8 -0.330075271041E+03 0.90856E-04 -0.43461E-05 3192 0.206E-02 0.377E-02 RMM: 9 -0.330075264586E+03 0.64548E-05 -0.10629E-05 2488 0.947E-03 6922 T= 5775. E= 0.68137905E+03 F= 0.63360704E+03 E0= 0.66255492E+03 EK= 0.47772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330316375039E+03 -0.24110E+00 -0.16991E-01 8016 0.230E+01 0.298E-01 RMM: 2 -0.330328389671E+03 -0.12015E-01 -0.73385E-02 5010 0.669E-01 0.104E+00 RMM: 3 -0.330321390361E+03 0.69993E-02 -0.86528E-03 5421 0.205E-01 0.221E-01 RMM: 4 -0.330321603637E+03 -0.21328E-03 -0.13050E-03 4738 0.870E-02 0.308E-01 RMM: 5 -0.330321157657E+03 0.44598E-03 -0.61999E-04 4574 0.683E-02 0.192E-01 RMM: 6 -0.330320956040E+03 0.20162E-03 -0.21418E-04 3886 0.385E-02 0.879E-02 RMM: 7 -0.330320985990E+03 -0.29950E-04 -0.11429E-04 3853 0.318E-02 0.116E-01 RMM: 8 -0.330320895657E+03 0.90333E-04 -0.46610E-05 3249 0.210E-02 0.339E-02 RMM: 9 -0.330320892052E+03 0.36050E-05 -0.10944E-05 2489 0.983E-03 6923 T= 6208. E= 0.68440730E+03 F= 0.63305267E+03 E0= 0.66196816E+03 EK= 0.51355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330617908662E+03 -0.29701E+00 -0.18157E-01 8016 0.239E+01 0.271E-01 RMM: 2 -0.330630398212E+03 -0.12490E-01 -0.84585E-02 5018 0.720E-01 0.960E-01 RMM: 3 -0.330624244995E+03 0.61532E-02 -0.93856E-03 5511 0.203E-01 0.217E-01 RMM: 4 -0.330624125595E+03 0.11940E-03 -0.10642E-03 4694 0.787E-02 0.226E-01 RMM: 5 -0.330623875658E+03 0.24994E-03 -0.63982E-04 4600 0.719E-02 0.159E-01 RMM: 6 -0.330623803321E+03 0.72338E-04 -0.22411E-04 3888 0.390E-02 0.125E-01 RMM: 7 -0.330623792004E+03 0.11317E-04 -0.12418E-04 3840 0.335E-02 6924 T= 6740. E= 0.68820880E+03 F= 0.63245310E+03 E0= 0.66133438E+03 EK= 0.55756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330923417932E+03 -0.29961E+00 -0.19181E-01 8256 0.247E+01 0.281E-01 RMM: 2 -0.330936495425E+03 -0.13077E-01 -0.97939E-02 5028 0.766E-01 0.919E-01 RMM: 3 -0.330931055843E+03 0.54396E-02 -0.10741E-02 5637 0.208E-01 0.237E-01 RMM: 4 -0.330930863541E+03 0.19230E-03 -0.10896E-03 4748 0.815E-02 0.243E-01 RMM: 5 -0.330930565071E+03 0.29847E-03 -0.81397E-04 4606 0.808E-02 0.175E-01 RMM: 6 -0.330930546468E+03 0.18604E-04 -0.32613E-04 4016 0.467E-02 0.169E-01 RMM: 7 -0.330930419088E+03 0.12738E-03 -0.18675E-04 3883 0.426E-02 0.110E-01 RMM: 8 -0.330930343021E+03 0.76067E-04 -0.57345E-05 3362 0.225E-02 0.401E-02 RMM: 9 -0.330930349000E+03 -0.59783E-05 -0.18130E-05 2550 0.124E-02 6925 T= 7176. E= 0.69122485E+03 F= 0.63186093E+03 E0= 0.66070640E+03 EK= 0.59364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331174059085E+03 -0.24372E+00 -0.20646E-01 8040 0.251E+01 0.233E-01 RMM: 2 -0.331188367074E+03 -0.14308E-01 -0.11097E-01 4994 0.801E-01 0.859E-01 RMM: 3 -0.331183218658E+03 0.51484E-02 -0.12269E-02 5764 0.214E-01 0.192E-01 RMM: 4 -0.331182974741E+03 0.24392E-03 -0.85623E-04 4741 0.698E-02 0.184E-01 RMM: 5 -0.331182782447E+03 0.19229E-03 -0.40335E-04 4525 0.572E-02 0.125E-01 RMM: 6 -0.331182755738E+03 0.26709E-04 -0.19788E-04 3888 0.369E-02 0.112E-01 RMM: 7 -0.331182763115E+03 -0.73779E-05 -0.85019E-05 3630 0.267E-02 6926 T= 7317. E= 0.69186120E+03 F= 0.63132943E+03 E0= 0.66013854E+03 EK= 0.60532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331341547391E+03 -0.15879E+00 -0.20524E-01 8280 0.249E+01 0.317E-01 RMM: 2 -0.331353213789E+03 -0.11666E-01 -0.99000E-02 5103 0.739E-01 0.823E-01 RMM: 3 -0.331348733886E+03 0.44799E-02 -0.10461E-02 5690 0.206E-01 0.259E-01 RMM: 4 -0.331348873287E+03 -0.13940E-03 -0.14028E-03 4812 0.934E-02 0.346E-01 RMM: 5 -0.331348098707E+03 0.77458E-03 -0.81876E-04 4604 0.780E-02 0.140E-01 RMM: 6 -0.331348157261E+03 -0.58555E-04 -0.28267E-04 3897 0.432E-02 0.175E-01 RMM: 7 -0.331348044349E+03 0.11291E-03 -0.14971E-04 3879 0.379E-02 0.122E-01 RMM: 8 -0.331347948982E+03 0.95367E-04 -0.50744E-05 3302 0.208E-02 0.388E-02 RMM: 9 -0.331347952129E+03 -0.31465E-05 -0.19155E-05 2550 0.127E-02 6927 T= 7092. E= 0.68955895E+03 F= 0.63088525E+03 E0= 0.65965983E+03 EK= 0.58674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331426787097E+03 -0.78838E-01 -0.20593E-01 8220 0.242E+01 0.259E-01 RMM: 2 -0.331438883926E+03 -0.12097E-01 -0.10581E-01 5036 0.735E-01 0.710E-01 RMM: 3 -0.331434912224E+03 0.39717E-02 -0.10462E-02 5733 0.198E-01 0.181E-01 RMM: 4 -0.331435202877E+03 -0.29065E-03 -0.11158E-03 4810 0.829E-02 0.320E-01 RMM: 5 -0.331434573258E+03 0.62962E-03 -0.41121E-04 4310 0.544E-02 0.126E-01 RMM: 6 -0.331434503592E+03 0.69666E-04 -0.13576E-04 3877 0.311E-02 0.794E-02 RMM: 7 -0.331434535649E+03 -0.32057E-04 -0.64261E-05 3446 0.227E-02 0.109E-01 RMM: 8 -0.331434455996E+03 0.79652E-04 -0.34986E-05 3060 0.190E-02 0.248E-02 RMM: 9 -0.331434454417E+03 0.15796E-05 -0.72120E-06 2464 0.755E-03 6928 T= 6617. E= 0.68525446E+03 F= 0.63051377E+03 E0= 0.65925652E+03 EK= 0.54741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331475018810E+03 -0.40563E-01 -0.19089E-01 8256 0.233E+01 0.330E-01 RMM: 2 -0.331485426084E+03 -0.10407E-01 -0.95060E-02 5157 0.681E-01 0.742E-01 RMM: 3 -0.331481478946E+03 0.39471E-02 -0.88263E-03 5578 0.192E-01 0.268E-01 RMM: 4 -0.331482121595E+03 -0.64265E-03 -0.16900E-03 4917 0.103E-01 0.428E-01 RMM: 5 -0.331480940072E+03 0.11815E-02 -0.68604E-04 4588 0.696E-02 0.143E-01 RMM: 6 -0.331480840140E+03 0.99932E-04 -0.16408E-04 3898 0.327E-02 0.881E-02 RMM: 7 -0.331480871706E+03 -0.31566E-04 -0.90405E-05 3710 0.267E-02 0.119E-01 RMM: 8 -0.331480778278E+03 0.93428E-04 -0.43510E-05 3193 0.201E-02 0.332E-02 RMM: 9 -0.331480775649E+03 0.26289E-05 -0.11755E-05 2495 0.956E-03 6929 T= 6100. E= 0.68063504E+03 F= 0.63017278E+03 E0= 0.65888843E+03 EK= 0.50462E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331523500904E+03 -0.42723E-01 -0.18178E-01 8412 0.225E+01 0.333E-01 RMM: 2 -0.331535833784E+03 -0.12333E-01 -0.99626E-02 5110 0.695E-01 0.865E-01 RMM: 3 -0.331530265841E+03 0.55679E-02 -0.98210E-03 5532 0.205E-01 0.237E-01 RMM: 4 -0.331531021113E+03 -0.75527E-03 -0.16903E-03 4947 0.101E-01 0.431E-01 RMM: 5 -0.331529833470E+03 0.11876E-02 -0.63855E-04 4589 0.672E-02 0.134E-01 RMM: 6 -0.331529741821E+03 0.91650E-04 -0.13237E-04 3872 0.292E-02 0.755E-02 RMM: 7 -0.331529780429E+03 -0.38609E-04 -0.74336E-05 3555 0.235E-02 0.112E-01 RMM: 8 -0.331529694472E+03 0.85957E-04 -0.42092E-05 3154 0.204E-02 0.283E-02 RMM: 9 -0.331529694909E+03 -0.43637E-06 -0.11066E-05 2488 0.933E-03 6930 T= 5717. E= 0.67711668E+03 F= 0.62981957E+03 E0= 0.65851275E+03 EK= 0.47297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331600225580E+03 -0.70531E-01 -0.17917E-01 8688 0.221E+01 0.319E-01 RMM: 2 -0.331611196007E+03 -0.10970E-01 -0.94934E-02 5317 0.646E-01 0.773E-01 RMM: 3 -0.331606585673E+03 0.46103E-02 -0.78273E-03 5516 0.182E-01 0.254E-01 RMM: 4 -0.331607216174E+03 -0.63050E-03 -0.16567E-03 4841 0.101E-01 0.418E-01 RMM: 5 -0.331606124883E+03 0.10913E-02 -0.66661E-04 4555 0.684E-02 0.142E-01 RMM: 6 -0.331606017538E+03 0.10734E-03 -0.13987E-04 3877 0.302E-02 0.760E-02 RMM: 7 -0.331606036186E+03 -0.18647E-04 -0.66524E-05 3492 0.233E-02 6931 T= 5564. E= 0.67546120E+03 F= 0.62943314E+03 E0= 0.65810935E+03 EK= 0.46028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331693981718E+03 -0.87964E-01 -0.18917E-01 8724 0.221E+01 0.323E-01 RMM: 2 -0.331707432311E+03 -0.13451E-01 -0.11431E-01 5188 0.709E-01 0.801E-01 RMM: 3 -0.331702329282E+03 0.51030E-02 -0.10356E-02 5604 0.200E-01 0.249E-01 RMM: 4 -0.331702886836E+03 -0.55755E-03 -0.16725E-03 4893 0.100E-01 0.416E-01 RMM: 5 -0.331701843366E+03 0.10435E-02 -0.68360E-04 4596 0.692E-02 0.159E-01 RMM: 6 -0.331701720008E+03 0.12336E-03 -0.16966E-04 3885 0.332E-02 0.912E-02 RMM: 7 -0.331701735355E+03 -0.15347E-04 -0.98571E-05 3774 0.280E-02 6932 T= 5665. E= 0.67589658E+03 F= 0.62902784E+03 E0= 0.65769253E+03 EK= 0.46869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331760208858E+03 -0.58489E-01 -0.21742E-01 8880 0.227E+01 0.286E-01 RMM: 2 -0.331775959478E+03 -0.15751E-01 -0.13116E-01 5229 0.749E-01 0.836E-01 RMM: 3 -0.331770166806E+03 0.57927E-02 -0.10663E-02 5667 0.202E-01 0.224E-01 RMM: 4 -0.331770316143E+03 -0.14934E-03 -0.13639E-03 4799 0.900E-02 0.320E-01 RMM: 5 -0.331769769113E+03 0.54703E-03 -0.59122E-04 4582 0.653E-02 0.170E-01 RMM: 6 -0.331769623268E+03 0.14585E-03 -0.23079E-04 3903 0.394E-02 0.930E-02 RMM: 7 -0.331769671017E+03 -0.47749E-04 -0.99570E-05 3771 0.294E-02 0.131E-01 RMM: 8 -0.331769557648E+03 0.11337E-03 -0.43890E-05 3211 0.202E-02 0.310E-02 RMM: 9 -0.331769558227E+03 -0.57862E-06 -0.12476E-05 2508 0.996E-03 6933 T= 5994. E= 0.67824668E+03 F= 0.62865738E+03 E0= 0.65731554E+03 EK= 0.49589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331710694464E+03 0.58863E-01 -0.25324E-01 9072 0.235E+01 0.234E-01 RMM: 2 -0.331726750503E+03 -0.16056E-01 -0.13946E-01 5376 0.736E-01 0.731E-01 RMM: 3 -0.331721540227E+03 0.52103E-02 -0.92607E-03 5661 0.190E-01 0.160E-01 RMM: 4 -0.331721707502E+03 -0.16727E-03 -0.10224E-03 4686 0.774E-02 0.278E-01 RMM: 5 -0.331721228318E+03 0.47918E-03 -0.41812E-04 4440 0.556E-02 0.103E-01 RMM: 6 -0.331721276325E+03 -0.48007E-04 -0.17608E-04 3886 0.342E-02 0.135E-01 RMM: 7 -0.331721197304E+03 0.79021E-04 -0.78385E-05 3600 0.269E-02 0.852E-02 RMM: 8 -0.331721148569E+03 0.48736E-04 -0.25314E-05 2847 0.156E-02 0.234E-02 RMM: 9 -0.331721149805E+03 -0.12364E-05 -0.84708E-06 2462 0.823E-03 6934 T= 6462. E= 0.68186949E+03 F= 0.62841448E+03 E0= 0.65707147E+03 EK= 0.53455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331425694296E+03 0.29545E+00 -0.30589E-01 8964 0.244E+01 0.259E-01 RMM: 2 -0.331444381962E+03 -0.18688E-01 -0.16685E-01 5474 0.805E-01 0.773E-01 RMM: 3 -0.331438747106E+03 0.56349E-02 -0.10928E-02 5815 0.202E-01 0.209E-01 RMM: 4 -0.331438613637E+03 0.13347E-03 -0.10356E-03 4704 0.751E-02 0.236E-01 RMM: 5 -0.331438250269E+03 0.36337E-03 -0.53710E-04 4553 0.640E-02 0.126E-01 RMM: 6 -0.331438338256E+03 -0.87987E-04 -0.23978E-04 3889 0.396E-02 0.171E-01 RMM: 7 -0.331438190442E+03 0.14781E-03 -0.12057E-04 3872 0.336E-02 0.969E-02 RMM: 8 -0.331438130644E+03 0.59798E-04 -0.37781E-05 3125 0.179E-02 0.347E-02 RMM: 9 -0.331438134578E+03 -0.39335E-05 -0.20413E-05 2552 0.130E-02 6935 T= 6908. E= 0.68556377E+03 F= 0.62841845E+03 E0= 0.65707850E+03 EK= 0.57145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330795862492E+03 0.64227E+00 -0.37170E-01 8916 0.250E+01 0.239E-01 RMM: 2 -0.330816578044E+03 -0.20716E-01 -0.19278E-01 5606 0.854E-01 0.682E-01 RMM: 3 -0.330811302730E+03 0.52753E-02 -0.11602E-02 5824 0.206E-01 0.179E-01 RMM: 4 -0.330811204878E+03 0.97852E-04 -0.10095E-03 4741 0.741E-02 0.232E-01 RMM: 5 -0.330810846952E+03 0.35793E-03 -0.43408E-04 4506 0.567E-02 0.103E-01 RMM: 6 -0.330810978891E+03 -0.13194E-03 -0.24594E-04 3889 0.404E-02 0.175E-01 RMM: 7 -0.330810829059E+03 0.14983E-03 -0.10681E-04 3787 0.310E-02 0.990E-02 RMM: 8 -0.330810765263E+03 0.63796E-04 -0.33245E-05 3017 0.169E-02 0.316E-02 RMM: 9 -0.330810769151E+03 -0.38882E-05 -0.16989E-05 2513 0.117E-02 6936 T= 7141. E= 0.68785596E+03 F= 0.62877655E+03 E0= 0.65744122E+03 EK= 0.59079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329772865668E+03 0.10379E+01 -0.43023E-01 8832 0.251E+01 0.257E-01 RMM: 2 -0.329794764795E+03 -0.21899E-01 -0.20923E-01 5968 0.886E-01 0.647E-01 RMM: 3 -0.329789816786E+03 0.49480E-02 -0.10842E-02 5633 0.202E-01 0.192E-01 RMM: 4 -0.329789949389E+03 -0.13260E-03 -0.12497E-03 4812 0.850E-02 0.298E-01 RMM: 5 -0.329789393157E+03 0.55623E-03 -0.49028E-04 4516 0.585E-02 0.120E-01 RMM: 6 -0.329789442221E+03 -0.49064E-04 -0.21941E-04 3884 0.377E-02 0.149E-01 RMM: 7 -0.329789349449E+03 0.92772E-04 -0.10079E-04 3821 0.302E-02 0.988E-02 RMM: 8 -0.329789285163E+03 0.64286E-04 -0.34622E-05 3063 0.175E-02 0.300E-02 RMM: 9 -0.329789288780E+03 -0.36169E-05 -0.14544E-05 2504 0.108E-02 6937 T= 7047. E= 0.68783399E+03 F= 0.62953390E+03 E0= 0.65820270E+03 EK= 0.58300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328403198730E+03 0.13861E+01 -0.45080E-01 8784 0.247E+01 0.284E-01 RMM: 2 -0.328424514543E+03 -0.21316E-01 -0.20419E-01 6183 0.872E-01 0.676E-01 RMM: 3 -0.328419664657E+03 0.48499E-02 -0.97951E-03 5526 0.203E-01 0.222E-01 RMM: 4 -0.328419998707E+03 -0.33405E-03 -0.13681E-03 4791 0.872E-02 0.346E-01 RMM: 5 -0.328419242168E+03 0.75654E-03 -0.51649E-04 4499 0.592E-02 0.123E-01 RMM: 6 -0.328419202958E+03 0.39211E-04 -0.16982E-04 3882 0.334E-02 0.105E-01 RMM: 7 -0.328419212914E+03 -0.99559E-05 -0.88010E-05 3643 0.261E-02 6938 T= 6672. E= 0.68583577E+03 F= 0.63064007E+03 E0= 0.65930994E+03 EK= 0.55196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326813194360E+03 0.16060E+01 -0.44709E-01 8820 0.238E+01 0.343E-01 RMM: 2 -0.326834796290E+03 -0.21602E-01 -0.20313E-01 6040 0.880E-01 0.791E-01 RMM: 3 -0.326828949994E+03 0.58463E-02 -0.10599E-02 5492 0.216E-01 0.279E-01 RMM: 4 -0.326829600815E+03 -0.65082E-03 -0.18648E-03 4923 0.102E-01 0.440E-01 RMM: 5 -0.326828341385E+03 0.12594E-02 -0.70146E-04 4572 0.684E-02 0.125E-01 RMM: 6 -0.326828313345E+03 0.28040E-04 -0.17318E-04 3880 0.332E-02 0.114E-01 RMM: 7 -0.326828297227E+03 0.16118E-04 -0.93454E-05 3767 0.259E-02 6939 T= 6190. E= 0.68317180E+03 F= 0.63196413E+03 E0= 0.66062981E+03 EK= 0.51208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325164748912E+03 0.16636E+01 -0.41235E-01 8868 0.230E+01 0.335E-01 RMM: 2 -0.325186282334E+03 -0.21533E-01 -0.19760E-01 5743 0.886E-01 0.827E-01 RMM: 3 -0.325180057632E+03 0.62247E-02 -0.12274E-02 5532 0.229E-01 0.282E-01 RMM: 4 -0.325180504808E+03 -0.44718E-03 -0.18032E-03 4944 0.992E-02 0.399E-01 RMM: 5 -0.325179533344E+03 0.97146E-03 -0.59958E-04 4554 0.630E-02 0.160E-01 RMM: 6 -0.325179371211E+03 0.16213E-03 -0.17949E-04 3877 0.345E-02 0.649E-02 RMM: 7 -0.325179423866E+03 -0.52655E-04 -0.88142E-05 3644 0.249E-02 0.117E-01 RMM: 8 -0.325179339234E+03 0.84632E-04 -0.41778E-05 3157 0.197E-02 0.373E-02 RMM: 9 -0.325179333715E+03 0.55191E-05 -0.12908E-05 2493 0.101E-02 6940 T= 5789. E= 0.68123049E+03 F= 0.63334317E+03 E0= 0.66199986E+03 EK= 0.47887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323599932052E+03 0.15794E+01 -0.36763E-01 8892 0.224E+01 0.323E-01 RMM: 2 -0.323619477300E+03 -0.19545E-01 -0.17402E-01 5840 0.829E-01 0.836E-01 RMM: 3 -0.323613208399E+03 0.62689E-02 -0.98475E-03 5493 0.210E-01 0.247E-01 RMM: 4 -0.323613879168E+03 -0.67077E-03 -0.16792E-03 4826 0.973E-02 0.414E-01 RMM: 5 -0.323612773409E+03 0.11058E-02 -0.57448E-04 4525 0.614E-02 0.132E-01 RMM: 6 -0.323612677859E+03 0.95550E-04 -0.14567E-04 3877 0.308E-02 0.698E-02 RMM: 7 -0.323612717637E+03 -0.39778E-04 -0.72366E-05 3518 0.227E-02 0.106E-01 RMM: 8 -0.323612640041E+03 0.77596E-04 -0.44127E-05 3176 0.205E-02 0.264E-02 RMM: 9 -0.323612639724E+03 0.31753E-06 -0.10424E-05 2481 0.905E-03 6941 T= 5593. E= 0.68091190E+03 F= 0.63463994E+03 E0= 0.66328260E+03 EK= 0.46272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322202235973E+03 0.14104E+01 -0.32868E-01 8868 0.223E+01 0.304E-01 RMM: 2 -0.322220384916E+03 -0.18149E-01 -0.15972E-01 5797 0.785E-01 0.822E-01 RMM: 3 -0.322214387281E+03 0.59976E-02 -0.92095E-03 5537 0.198E-01 0.234E-01 RMM: 4 -0.322214846759E+03 -0.45948E-03 -0.15113E-03 4764 0.927E-02 0.371E-01 RMM: 5 -0.322213988728E+03 0.85803E-03 -0.52506E-04 4394 0.593E-02 0.136E-01 RMM: 6 -0.322213889599E+03 0.99129E-04 -0.13837E-04 3871 0.303E-02 0.746E-02 RMM: 7 -0.322213935699E+03 -0.46100E-04 -0.88818E-05 3669 0.254E-02 0.116E-01 RMM: 8 -0.322213846187E+03 0.89513E-04 -0.44568E-05 3194 0.206E-02 0.309E-02 RMM: 9 -0.322213843726E+03 0.24603E-05 -0.11702E-05 2491 0.977E-03 6942 T= 5659. E= 0.68259148E+03 F= 0.63577397E+03 E0= 0.66439858E+03 EK= 0.46818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320994177052E+03 0.12197E+01 -0.31726E-01 8784 0.227E+01 0.290E-01 RMM: 2 -0.321015697448E+03 -0.21520E-01 -0.16069E-01 5626 0.800E-01 0.107E+00 RMM: 3 -0.321006620270E+03 0.90772E-02 -0.10558E-02 5636 0.209E-01 0.200E-01 RMM: 4 -0.321006795888E+03 -0.17562E-03 -0.13223E-03 4683 0.849E-02 0.295E-01 RMM: 5 -0.321006296883E+03 0.49901E-03 -0.40434E-04 4196 0.515E-02 0.144E-01 RMM: 6 -0.321006196380E+03 0.10050E-03 -0.16073E-04 3880 0.339E-02 0.842E-02 RMM: 7 -0.321006236274E+03 -0.39894E-04 -0.95575E-05 3746 0.267E-02 0.116E-01 RMM: 8 -0.321006144457E+03 0.91816E-04 -0.50012E-05 3286 0.218E-02 0.310E-02 RMM: 9 -0.321006142137E+03 0.23203E-05 -0.10258E-05 2487 0.917E-03 6943 T= 5982. E= 0.68621474E+03 F= 0.63672736E+03 E0= 0.66533128E+03 EK= 0.49487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319944827467E+03 0.10613E+01 -0.33642E-01 8952 0.236E+01 0.245E-01 RMM: 2 -0.319964457403E+03 -0.19630E-01 -0.16307E-01 5879 0.799E-01 0.871E-01 RMM: 3 -0.319958025314E+03 0.64321E-02 -0.88253E-03 5608 0.188E-01 0.193E-01 RMM: 4 -0.319957985580E+03 0.39735E-04 -0.98623E-04 4645 0.719E-02 0.229E-01 RMM: 5 -0.319957662890E+03 0.32269E-03 -0.39106E-04 4320 0.538E-02 0.114E-01 RMM: 6 -0.319957669139E+03 -0.62495E-05 -0.17565E-04 3879 0.341E-02 6944 T= 6488. E= 0.69121182E+03 F= 0.63753537E+03 E0= 0.66611759E+03 EK= 0.53676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318989308664E+03 0.96835E+00 -0.38120E-01 8952 0.247E+01 0.412E-01 RMM: 2 -0.319034922084E+03 -0.45613E-01 -0.20126E-01 5469 0.947E-01 0.206E+00 RMM: 3 -0.319004751727E+03 0.30170E-01 -0.20722E-02 5354 0.331E-01 0.324E-01 RMM: 4 -0.319004110648E+03 0.64108E-03 -0.23767E-03 4947 0.946E-02 0.180E-01 RMM: 5 -0.319004029267E+03 0.81381E-04 -0.56923E-04 4590 0.637E-02 0.191E-01 RMM: 6 -0.319003887699E+03 0.14157E-03 -0.33224E-04 4066 0.485E-02 0.131E-01 RMM: 7 -0.319003995708E+03 -0.10801E-03 -0.20746E-04 3901 0.388E-02 0.183E-01 RMM: 8 -0.319003778439E+03 0.21727E-03 -0.12991E-04 3865 0.335E-02 0.520E-02 RMM: 9 -0.319003777267E+03 0.11720E-05 -0.25396E-05 2789 0.147E-02 6945 T= 7017. E= 0.69630995E+03 F= 0.63826293E+03 E0= 0.66682293E+03 EK= 0.58047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318078445948E+03 0.92533E+00 -0.41539E-01 8940 0.255E+01 0.334E-01 RMM: 2 -0.318114797780E+03 -0.36352E-01 -0.20653E-01 5593 0.948E-01 0.161E+00 RMM: 3 -0.318095303576E+03 0.19494E-01 -0.17051E-02 5364 0.296E-01 0.340E-01 RMM: 4 -0.318094585305E+03 0.71827E-03 -0.21000E-03 4879 0.945E-02 0.156E-01 RMM: 5 -0.318094562566E+03 0.22740E-04 -0.42663E-04 4439 0.545E-02 0.170E-01 RMM: 6 -0.318094386295E+03 0.17627E-03 -0.15129E-04 3880 0.318E-02 0.735E-02 RMM: 7 -0.318094466664E+03 -0.80369E-04 -0.12067E-04 3873 0.285E-02 0.131E-01 RMM: 8 -0.318094355385E+03 0.11128E-03 -0.62206E-05 3428 0.238E-02 0.364E-02 RMM: 9 -0.318094352412E+03 0.29722E-05 -0.14129E-05 2515 0.109E-02 6946 T= 7345. E= 0.69971986E+03 F= 0.63895731E+03 E0= 0.66749640E+03 EK= 0.60763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317224642684E+03 0.86971E+00 -0.42758E-01 8892 0.258E+01 0.351E-01 RMM: 2 -0.317263285976E+03 -0.38643E-01 -0.20851E-01 5598 0.969E-01 0.173E+00 RMM: 3 -0.317241355542E+03 0.21930E-01 -0.16653E-02 5418 0.285E-01 0.307E-01 RMM: 4 -0.317240842941E+03 0.51260E-03 -0.20124E-03 4865 0.947E-02 0.189E-01 RMM: 5 -0.317240757536E+03 0.85406E-04 -0.44743E-04 4363 0.527E-02 0.185E-01 RMM: 6 -0.317240570319E+03 0.18722E-03 -0.20810E-04 3890 0.382E-02 0.926E-02 RMM: 7 -0.317240666520E+03 -0.96201E-04 -0.16236E-04 3886 0.336E-02 0.153E-01 RMM: 8 -0.317240520987E+03 0.14553E-03 -0.82662E-05 3567 0.269E-02 0.524E-02 RMM: 9 -0.317240507173E+03 0.13813E-04 -0.16714E-05 2533 0.119E-02 6947 T= 7311. E= 0.70008649E+03 F= 0.63960251E+03 E0= 0.66812116E+03 EK= 0.60484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316503685225E+03 0.73684E+00 -0.39805E-01 8772 0.253E+01 0.315E-01 RMM: 2 -0.316530004888E+03 -0.26320E-01 -0.20124E-01 5711 0.969E-01 0.113E+00 RMM: 3 -0.316520338045E+03 0.96668E-02 -0.14041E-02 5483 0.257E-01 0.273E-01 RMM: 4 -0.316520204260E+03 0.13378E-03 -0.16541E-03 4930 0.904E-02 0.261E-01 RMM: 5 -0.316519860042E+03 0.34422E-03 -0.39631E-04 4025 0.486E-02 0.167E-01 RMM: 6 -0.316519694269E+03 0.16577E-03 -0.16889E-04 3879 0.359E-02 0.751E-02 RMM: 7 -0.316519780240E+03 -0.85970E-04 -0.12181E-04 3849 0.287E-02 0.138E-01 RMM: 8 -0.316519659357E+03 0.12088E-03 -0.63463E-05 3431 0.236E-02 0.441E-02 RMM: 9 -0.316519648517E+03 0.10840E-04 -0.15807E-05 2517 0.116E-02 6948 T= 6939. E= 0.69751683E+03 F= 0.64011585E+03 E0= 0.66861429E+03 EK= 0.57401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316002216667E+03 0.51744E+00 -0.31678E-01 8820 0.245E+01 0.309E-01 RMM: 2 -0.316026000024E+03 -0.23783E-01 -0.17798E-01 5697 0.912E-01 0.110E+00 RMM: 3 -0.316016619903E+03 0.93801E-02 -0.12242E-02 5443 0.241E-01 0.248E-01 RMM: 4 -0.316016715518E+03 -0.95615E-04 -0.16639E-03 4914 0.941E-02 0.298E-01 RMM: 5 -0.316016179501E+03 0.53602E-03 -0.41651E-04 4140 0.511E-02 0.139E-01 RMM: 6 -0.316016075153E+03 0.10435E-03 -0.12156E-04 3836 0.299E-02 0.733E-02 RMM: 7 -0.316016131372E+03 -0.56219E-04 -0.11019E-04 3862 0.273E-02 0.121E-01 RMM: 8 -0.316016036330E+03 0.95042E-04 -0.55111E-05 3340 0.222E-02 0.344E-02 RMM: 9 -0.316016032749E+03 0.35810E-05 -0.12967E-05 2494 0.102E-02 6949 T= 6413. E= 0.69345910E+03 F= 0.64040904E+03 E0= 0.66888738E+03 EK= 0.53050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315748654473E+03 0.26738E+00 -0.23239E-01 8964 0.236E+01 0.314E-01 RMM: 2 -0.315769612016E+03 -0.20958E-01 -0.14657E-01 5396 0.836E-01 0.114E+00 RMM: 3 -0.315759837504E+03 0.97745E-02 -0.11795E-02 5516 0.236E-01 0.234E-01 RMM: 4 -0.315760002189E+03 -0.16468E-03 -0.15672E-03 4896 0.919E-02 0.303E-01 RMM: 5 -0.315759484914E+03 0.51727E-03 -0.39589E-04 4087 0.497E-02 0.159E-01 RMM: 6 -0.315759331892E+03 0.15302E-03 -0.14123E-04 3870 0.327E-02 0.656E-02 RMM: 7 -0.315759394057E+03 -0.62165E-04 -0.94692E-05 3734 0.257E-02 0.119E-01 RMM: 8 -0.315759299002E+03 0.95055E-04 -0.51240E-05 3269 0.216E-02 0.349E-02 RMM: 9 -0.315759294600E+03 0.44023E-05 -0.13531E-05 2506 0.107E-02 6950 T= 5943. E= 0.68961156E+03 F= 0.64045090E+03 E0= 0.66890951E+03 EK= 0.49161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315699225406E+03 0.60074E-01 -0.19023E-01 8052 0.231E+01 0.277E-01 RMM: 2 -0.315715838720E+03 -0.16613E-01 -0.12670E-01 5142 0.786E-01 0.934E-01 RMM: 3 -0.315709198950E+03 0.66398E-02 -0.11499E-02 5669 0.222E-01 0.235E-01 RMM: 4 -0.315709099593E+03 0.99357E-04 -0.12503E-03 4793 0.838E-02 0.241E-01 RMM: 5 -0.315708770059E+03 0.32953E-03 -0.34931E-04 4012 0.467E-02 0.141E-01 RMM: 6 -0.315708664973E+03 0.10509E-03 -0.13340E-04 3876 0.323E-02 0.729E-02 RMM: 7 -0.315708719186E+03 -0.54213E-04 -0.81755E-05 3623 0.243E-02 0.120E-01 RMM: 8 -0.315708623834E+03 0.95352E-04 -0.44726E-05 3189 0.210E-02 0.329E-02 RMM: 9 -0.315708620296E+03 0.35377E-05 -0.12082E-05 2487 0.989E-03 6951 T= 5662. E= 0.68712682E+03 F= 0.64028354E+03 E0= 0.66872358E+03 EK= 0.46843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315773090142E+03 -0.64466E-01 -0.17617E-01 8304 0.229E+01 0.294E-01 RMM: 2 -0.315791669707E+03 -0.18580E-01 -0.11488E-01 5093 0.784E-01 0.117E+00 RMM: 3 -0.315782044020E+03 0.96257E-02 -0.12396E-02 5620 0.233E-01 0.240E-01 RMM: 4 -0.315781762218E+03 0.28180E-03 -0.12617E-03 4741 0.804E-02 0.198E-01 RMM: 5 -0.315781626046E+03 0.13617E-03 -0.34689E-04 4164 0.488E-02 0.169E-01 RMM: 6 -0.315781455747E+03 0.17030E-03 -0.15648E-04 3885 0.342E-02 0.723E-02 RMM: 7 -0.315781523692E+03 -0.67945E-04 -0.10767E-04 3810 0.280E-02 0.126E-01 RMM: 8 -0.315781415022E+03 0.10867E-03 -0.53492E-05 3320 0.227E-02 0.293E-02 RMM: 9 -0.315781413451E+03 0.15710E-05 -0.12283E-05 2498 0.100E-02 6952 T= 5624. E= 0.68651995E+03 F= 0.63999305E+03 E0= 0.66841642E+03 EK= 0.46527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315877228081E+03 -0.95813E-01 -0.18148E-01 8148 0.232E+01 0.257E-01 RMM: 2 -0.315894654040E+03 -0.17426E-01 -0.12501E-01 5094 0.811E-01 0.100E+00 RMM: 3 -0.315887387404E+03 0.72666E-02 -0.12868E-02 5759 0.224E-01 0.234E-01 RMM: 4 -0.315887003352E+03 0.38405E-03 -0.10432E-03 4717 0.747E-02 0.167E-01 RMM: 5 -0.315886813083E+03 0.19027E-03 -0.31354E-04 4095 0.475E-02 0.110E-01 RMM: 6 -0.315886810993E+03 0.20896E-05 -0.15773E-04 3884 0.340E-02 6953 T= 5822. E= 0.68784135E+03 F= 0.63967468E+03 E0= 0.66808532E+03 EK= 0.48167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315940117814E+03 -0.53305E-01 -0.19139E-01 8148 0.237E+01 0.421E-01 RMM: 2 -0.315985788468E+03 -0.45671E-01 -0.13314E-01 5228 0.856E-01 0.229E+00 RMM: 3 -0.315949603746E+03 0.36185E-01 -0.20662E-02 5366 0.347E-01 0.375E-01 RMM: 4 -0.315948695931E+03 0.90781E-03 -0.23227E-03 4998 0.948E-02 0.157E-01 RMM: 5 -0.315948623543E+03 0.72388E-04 -0.45062E-04 4433 0.553E-02 0.181E-01 RMM: 6 -0.315948462139E+03 0.16140E-03 -0.23364E-04 3884 0.410E-02 0.112E-01 RMM: 7 -0.315948577309E+03 -0.11517E-03 -0.19913E-04 3891 0.376E-02 0.171E-01 RMM: 8 -0.315948383225E+03 0.19408E-03 -0.11483E-04 3824 0.310E-02 0.591E-02 RMM: 9 -0.315948367187E+03 0.16038E-04 -0.22773E-05 2648 0.137E-02 6954 T= 6204. E= 0.69072986E+03 F= 0.63940849E+03 E0= 0.66781062E+03 EK= 0.51321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315902758161E+03 0.45625E-01 -0.20602E-01 8016 0.244E+01 0.390E-01 RMM: 2 -0.315945839283E+03 -0.43081E-01 -0.13919E-01 5213 0.864E-01 0.218E+00 RMM: 3 -0.315913367715E+03 0.32472E-01 -0.19067E-02 5391 0.324E-01 0.400E-01 RMM: 4 -0.315912238769E+03 0.11289E-02 -0.24824E-03 5101 0.106E-01 0.156E-01 RMM: 5 -0.315912227553E+03 0.11216E-04 -0.41372E-04 4262 0.520E-02 0.175E-01 RMM: 6 -0.315912020566E+03 0.20699E-03 -0.14794E-04 3881 0.328E-02 0.624E-02 RMM: 7 -0.315912077014E+03 -0.56448E-04 -0.10176E-04 3770 0.254E-02 0.118E-01 RMM: 8 -0.315911984689E+03 0.92325E-04 -0.57395E-05 3358 0.233E-02 0.348E-02 RMM: 9 -0.315911978572E+03 0.61166E-05 -0.11980E-05 2490 0.977E-03 6955 T= 6658. E= 0.69432656E+03 F= 0.63925023E+03 E0= 0.66765274E+03 EK= 0.55076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315739700769E+03 0.17228E+00 -0.21923E-01 7860 0.250E+01 0.309E-01 RMM: 2 -0.315767044199E+03 -0.27343E-01 -0.14766E-01 5168 0.888E-01 0.149E+00 RMM: 3 -0.315751236160E+03 0.15808E-01 -0.15814E-02 5463 0.276E-01 0.274E-01 RMM: 4 -0.315750757100E+03 0.47906E-03 -0.15414E-03 4827 0.830E-02 0.144E-01 RMM: 5 -0.315750643456E+03 0.11364E-03 -0.28843E-04 3962 0.444E-02 0.135E-01 RMM: 6 -0.315750564831E+03 0.78626E-04 -0.13764E-04 3880 0.322E-02 0.934E-02 RMM: 7 -0.315750613364E+03 -0.48533E-04 -0.13698E-04 3886 0.308E-02 0.134E-01 RMM: 8 -0.315750494577E+03 0.11879E-03 -0.75229E-05 3517 0.254E-02 0.425E-02 RMM: 9 -0.315750486268E+03 0.83093E-05 -0.15094E-05 2513 0.111E-02 6956 T= 7021. E= 0.69731231E+03 F= 0.63922639E+03 E0= 0.66763952E+03 EK= 0.58086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315462209955E+03 0.28828E+00 -0.22617E-01 7896 0.252E+01 0.252E-01 RMM: 2 -0.315481840952E+03 -0.19631E-01 -0.15224E-01 5092 0.893E-01 0.987E-01 RMM: 3 -0.315474633256E+03 0.72077E-02 -0.14943E-02 5811 0.240E-01 0.207E-01 RMM: 4 -0.315474372927E+03 0.26033E-03 -0.10557E-03 4814 0.751E-02 0.196E-01 RMM: 5 -0.315474129478E+03 0.24345E-03 -0.27782E-04 4000 0.446E-02 0.108E-01 RMM: 6 -0.315474094132E+03 0.35345E-04 -0.13785E-04 3877 0.321E-02 0.901E-02 RMM: 7 -0.315474122510E+03 -0.28378E-04 -0.81268E-05 3655 0.248E-02 0.118E-01 RMM: 8 -0.315474029375E+03 0.93135E-04 -0.39207E-05 3077 0.193E-02 0.314E-02 RMM: 9 -0.315474026687E+03 0.26883E-05 -0.15120E-05 2484 0.110E-02 6957 T= 7140. E= 0.69839530E+03 F= 0.63932428E+03 E0= 0.66776061E+03 EK= 0.59071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315125349762E+03 0.34868E+00 -0.22571E-01 7776 0.250E+01 0.254E-01 RMM: 2 -0.315145179923E+03 -0.19830E-01 -0.15644E-01 4999 0.910E-01 0.969E-01 RMM: 3 -0.315137985345E+03 0.71946E-02 -0.15436E-02 5870 0.248E-01 0.196E-01 RMM: 4 -0.315137777710E+03 0.20764E-03 -0.11367E-03 4916 0.805E-02 0.203E-01 RMM: 5 -0.315137525585E+03 0.25212E-03 -0.27763E-04 3961 0.439E-02 0.110E-01 RMM: 6 -0.315137476183E+03 0.49403E-04 -0.97658E-05 3718 0.273E-02 0.791E-02 RMM: 7 -0.315137496846E+03 -0.20663E-04 -0.88059E-05 3805 0.247E-02 0.103E-01 RMM: 8 -0.315137424974E+03 0.71871E-04 -0.43717E-05 3160 0.203E-02 0.294E-02 RMM: 9 -0.315137422933E+03 0.20409E-05 -0.10912E-05 2479 0.928E-03 6958 T= 6965. E= 0.69710386E+03 F= 0.63948563E+03 E0= 0.66795638E+03 EK= 0.57618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314823455954E+03 0.31397E+00 -0.22352E-01 7968 0.243E+01 0.267E-01 RMM: 2 -0.314842512237E+03 -0.19056E-01 -0.15848E-01 4928 0.918E-01 0.896E-01 RMM: 3 -0.314836313975E+03 0.61983E-02 -0.16361E-02 5836 0.257E-01 0.216E-01 RMM: 4 -0.314836193578E+03 0.12040E-03 -0.11849E-03 4985 0.816E-02 0.243E-01 RMM: 5 -0.314835831316E+03 0.36226E-03 -0.29105E-04 3953 0.433E-02 0.120E-01 RMM: 6 -0.314835756784E+03 0.74532E-04 -0.12044E-04 3836 0.304E-02 0.697E-02 RMM: 7 -0.314835797634E+03 -0.40850E-04 -0.81692E-05 3708 0.241E-02 0.107E-01 RMM: 8 -0.314835717766E+03 0.79867E-04 -0.43243E-05 3136 0.201E-02 0.312E-02 RMM: 9 -0.314835714876E+03 0.28908E-05 -0.13054E-05 2487 0.102E-02 6959 T= 6588. E= 0.69411083E+03 F= 0.63961232E+03 E0= 0.66812601E+03 EK= 0.54499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314672663711E+03 0.16305E+00 -0.21773E-01 7956 0.236E+01 0.269E-01 RMM: 2 -0.314691779687E+03 -0.19116E-01 -0.15631E-01 4979 0.905E-01 0.904E-01 RMM: 3 -0.314685270245E+03 0.65094E-02 -0.15971E-02 5868 0.251E-01 0.208E-01 RMM: 4 -0.314685236511E+03 0.33734E-04 -0.12758E-03 5017 0.867E-02 0.258E-01 RMM: 5 -0.314684826138E+03 0.41037E-03 -0.30358E-04 3935 0.439E-02 0.124E-01 RMM: 6 -0.314684736469E+03 0.89669E-04 -0.97230E-05 3713 0.277E-02 0.623E-02 RMM: 7 -0.314684780926E+03 -0.44458E-04 -0.76620E-05 3627 0.230E-02 0.106E-01 RMM: 8 -0.314684705661E+03 0.75265E-04 -0.46811E-05 3182 0.208E-02 0.346E-02 RMM: 9 -0.314684701100E+03 0.45615E-05 -0.12818E-05 2487 0.102E-02 6960 T= 6179. E= 0.69070376E+03 F= 0.63958683E+03 E0= 0.66814720E+03 EK= 0.51117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314778573834E+03 -0.93868E-01 -0.20482E-01 8040 0.229E+01 0.275E-01 RMM: 2 -0.314797018281E+03 -0.18444E-01 -0.14663E-01 4970 0.878E-01 0.937E-01 RMM: 3 -0.314790276458E+03 0.67418E-02 -0.15173E-02 5795 0.248E-01 0.199E-01 RMM: 4 -0.314790315243E+03 -0.38785E-04 -0.12641E-03 4974 0.846E-02 0.268E-01 RMM: 5 -0.314789899725E+03 0.41552E-03 -0.30195E-04 3946 0.437E-02 0.137E-01 RMM: 6 -0.314789787051E+03 0.11267E-03 -0.10440E-04 3741 0.285E-02 0.603E-02 RMM: 7 -0.314789829766E+03 -0.42716E-04 -0.75494E-05 3602 0.231E-02 0.103E-01 RMM: 8 -0.314789756691E+03 0.73075E-04 -0.47265E-05 3174 0.209E-02 0.318E-02 RMM: 9 -0.314789754053E+03 0.26387E-05 -0.13709E-05 2496 0.107E-02 6961 T= 5889. E= 0.68802225E+03 F= 0.63930390E+03 E0= 0.66791098E+03 EK= 0.48718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315215170708E+03 -0.42541E+00 -0.19101E-01 8016 0.225E+01 0.251E-01 RMM: 2 -0.315231083185E+03 -0.15912E-01 -0.13258E-01 5007 0.824E-01 0.831E-01 RMM: 3 -0.315225812887E+03 0.52703E-02 -0.13404E-02 5863 0.227E-01 0.196E-01 RMM: 4 -0.315225754883E+03 0.58003E-04 -0.10339E-03 4820 0.769E-02 0.238E-01 RMM: 5 -0.315225404009E+03 0.35087E-03 -0.26810E-04 3920 0.419E-02 0.115E-01 RMM: 6 -0.315225332501E+03 0.71508E-04 -0.93422E-05 3664 0.274E-02 0.634E-02 RMM: 7 -0.315225375017E+03 -0.42517E-04 -0.67160E-05 3471 0.220E-02 0.106E-01 RMM: 8 -0.315225300212E+03 0.74806E-04 -0.42613E-05 3100 0.205E-02 0.316E-02 RMM: 9 -0.315225296833E+03 0.33785E-05 -0.12050E-05 2481 0.996E-03 6962 T= 5804. E= 0.68670170E+03 F= 0.63869090E+03 E0= 0.66734176E+03 EK= 0.48011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316010114755E+03 -0.78481E+00 -0.18559E-01 8172 0.226E+01 0.261E-01 RMM: 2 -0.316029613311E+03 -0.19499E-01 -0.13073E-01 5030 0.817E-01 0.110E+00 RMM: 3 -0.316020519222E+03 0.90941E-02 -0.13563E-02 5698 0.234E-01 0.189E-01 RMM: 4 -0.316020367102E+03 0.15212E-03 -0.10907E-03 4781 0.762E-02 0.198E-01 RMM: 5 -0.316020167439E+03 0.19966E-03 -0.24091E-04 3904 0.398E-02 0.131E-01 RMM: 6 -0.316020066217E+03 0.10122E-03 -0.10968E-04 3831 0.291E-02 0.652E-02 RMM: 7 -0.316020115119E+03 -0.48902E-04 -0.81065E-05 3667 0.243E-02 0.110E-01 RMM: 8 -0.316020031454E+03 0.83666E-04 -0.43626E-05 3133 0.208E-02 0.309E-02 RMM: 9 -0.316020028106E+03 0.33474E-05 -0.11349E-05 2483 0.963E-03 6963 T= 5943. E= 0.68688325E+03 F= 0.63772175E+03 E0= 0.66641202E+03 EK= 0.49162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317138992478E+03 -0.11190E+01 -0.18682E-01 8184 0.232E+01 0.219E-01 RMM: 2 -0.317155681693E+03 -0.16689E-01 -0.12995E-01 5128 0.795E-01 0.887E-01 RMM: 3 -0.317149693924E+03 0.59878E-02 -0.12595E-02 5902 0.215E-01 0.193E-01 RMM: 4 -0.317149408456E+03 0.28547E-03 -0.80815E-04 4698 0.659E-02 0.158E-01 RMM: 5 -0.317149253730E+03 0.15473E-03 -0.21424E-04 3906 0.397E-02 0.105E-01 RMM: 6 -0.317149217027E+03 0.36702E-04 -0.11154E-04 3818 0.290E-02 0.842E-02 RMM: 7 -0.317149248334E+03 -0.31306E-04 -0.76189E-05 3638 0.242E-02 0.114E-01 RMM: 8 -0.317149160069E+03 0.88264E-04 -0.37365E-05 3034 0.191E-02 0.293E-02 RMM: 9 -0.317149158184E+03 0.18855E-05 -0.12525E-05 2481 0.998E-03 6964 T= 6266. E= 0.68826216E+03 F= 0.63642356E+03 E0= 0.66514772E+03 EK= 0.51839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318520799185E+03 -0.13716E+01 -0.20107E-01 8388 0.239E+01 0.239E-01 RMM: 2 -0.318541488393E+03 -0.20689E-01 -0.14467E-01 5132 0.850E-01 0.108E+00 RMM: 3 -0.318532738746E+03 0.87496E-02 -0.14592E-02 5831 0.235E-01 0.188E-01 RMM: 4 -0.318532378847E+03 0.35990E-03 -0.92812E-04 4748 0.677E-02 0.139E-01 RMM: 5 -0.318532262325E+03 0.11652E-03 -0.19776E-04 3905 0.387E-02 0.103E-01 RMM: 6 -0.318532232347E+03 0.29978E-04 -0.95735E-05 3773 0.267E-02 0.888E-02 RMM: 7 -0.318532244122E+03 -0.11775E-04 -0.91456E-05 3829 0.261E-02 6965 T= 6670. E= 0.69005611E+03 F= 0.63487783E+03 E0= 0.66362977E+03 EK= 0.55178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320028462379E+03 -0.14962E+01 -0.21081E-01 8688 0.247E+01 0.202E-01 RMM: 2 -0.320045695490E+03 -0.17233E-01 -0.15569E-01 5148 0.874E-01 0.703E-01 RMM: 3 -0.320041902132E+03 0.37934E-02 -0.15588E-02 6218 0.220E-01 0.188E-01 RMM: 4 -0.320041434287E+03 0.46784E-03 -0.66390E-04 4638 0.612E-02 0.144E-01 RMM: 5 -0.320041271754E+03 0.16253E-03 -0.20000E-04 3912 0.399E-02 0.919E-02 RMM: 6 -0.320041371744E+03 -0.99989E-04 -0.18276E-04 3890 0.359E-02 0.160E-01 RMM: 7 -0.320041252517E+03 0.11923E-03 -0.11621E-04 3879 0.297E-02 0.103E-01 RMM: 8 -0.320041182140E+03 0.70378E-04 -0.46461E-05 3203 0.194E-02 0.354E-02 RMM: 9 -0.320041187697E+03 -0.55575E-05 -0.22575E-05 2560 0.139E-02 6966 T= 6996. E= 0.69108515E+03 F= 0.63321207E+03 E0= 0.66198776E+03 EK= 0.57873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321511839316E+03 -0.14707E+01 -0.23365E-01 7968 0.251E+01 0.243E-01 RMM: 2 -0.321538046152E+03 -0.26207E-01 -0.21430E-01 4811 0.105E+00 0.101E+00 RMM: 3 -0.321530470875E+03 0.75753E-02 -0.24111E-02 6043 0.283E-01 0.183E-01 RMM: 4 -0.321529883921E+03 0.58695E-03 -0.11514E-03 4918 0.782E-02 0.162E-01 RMM: 5 -0.321529714195E+03 0.16973E-03 -0.22868E-04 3919 0.413E-02 0.959E-02 RMM: 6 -0.321529684646E+03 0.29549E-04 -0.97461E-05 3741 0.270E-02 0.789E-02 RMM: 7 -0.321529699895E+03 -0.15250E-04 -0.70319E-05 3567 0.234E-02 6967 T= 7093. E= 0.69024560E+03 F= 0.63157053E+03 E0= 0.66036364E+03 EK= 0.58675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322866575006E+03 -0.13369E+01 -0.22591E-01 8376 0.251E+01 0.220E-01 RMM: 2 -0.322886095568E+03 -0.19521E-01 -0.17916E-01 5113 0.927E-01 0.691E-01 RMM: 3 -0.322881807444E+03 0.42881E-02 -0.16984E-02 6165 0.237E-01 0.190E-01 RMM: 4 -0.322881419084E+03 0.38836E-03 -0.80610E-04 4716 0.683E-02 0.178E-01 RMM: 5 -0.322881185698E+03 0.23339E-03 -0.25832E-04 4010 0.440E-02 0.917E-02 RMM: 6 -0.322881249113E+03 -0.63415E-04 -0.16185E-04 3885 0.336E-02 0.136E-01 RMM: 7 -0.322881181956E+03 0.67157E-04 -0.10215E-04 3850 0.284E-02 0.103E-01 RMM: 8 -0.322881110914E+03 0.71042E-04 -0.38951E-05 3106 0.185E-02 0.300E-02 RMM: 9 -0.322881116720E+03 -0.58064E-05 -0.18508E-05 2524 0.123E-02 6968 T= 6910. E= 0.68722939E+03 F= 0.63006713E+03 E0= 0.65887510E+03 EK= 0.57162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324036236241E+03 -0.11551E+01 -0.22111E-01 8532 0.246E+01 0.214E-01 RMM: 2 -0.324055989875E+03 -0.19754E-01 -0.17758E-01 4986 0.926E-01 0.736E-01 RMM: 3 -0.324051454655E+03 0.45352E-02 -0.17605E-02 6135 0.243E-01 0.165E-01 RMM: 4 -0.324051125196E+03 0.32946E-03 -0.88630E-04 4790 0.709E-02 0.177E-01 RMM: 5 -0.324050943192E+03 0.18200E-03 -0.20376E-04 3896 0.380E-02 0.102E-01 RMM: 6 -0.324050891188E+03 0.52004E-04 -0.85077E-05 3583 0.262E-02 0.595E-02 RMM: 7 -0.324050923616E+03 -0.32427E-04 -0.48662E-05 3163 0.201E-02 0.970E-02 RMM: 8 -0.324050860128E+03 0.63488E-04 -0.32815E-05 2844 0.183E-02 0.239E-02 RMM: 9 -0.324050859135E+03 0.99303E-06 -0.94628E-06 2464 0.860E-03 6969 T= 6533. E= 0.68278578E+03 F= 0.62874400E+03 E0= 0.65756209E+03 EK= 0.54042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325052742896E+03 -0.10019E+01 -0.22171E-01 8316 0.238E+01 0.241E-01 RMM: 2 -0.325073384423E+03 -0.20642E-01 -0.18342E-01 5141 0.938E-01 0.763E-01 RMM: 3 -0.325068435346E+03 0.49491E-02 -0.17159E-02 5994 0.241E-01 0.178E-01 RMM: 4 -0.325068346142E+03 0.89204E-04 -0.10822E-03 4868 0.803E-02 0.258E-01 RMM: 5 -0.325067940996E+03 0.40515E-03 -0.28266E-04 3932 0.431E-02 0.118E-01 RMM: 6 -0.325067863993E+03 0.77003E-04 -0.85802E-05 3592 0.260E-02 0.614E-02 RMM: 7 -0.325067906428E+03 -0.42435E-04 -0.84311E-05 3780 0.244E-02 0.104E-01 RMM: 8 -0.325067833377E+03 0.73051E-04 -0.45366E-05 3190 0.202E-02 0.309E-02 RMM: 9 -0.325067831000E+03 0.23768E-05 -0.11907E-05 2491 0.987E-03 6970 T= 6121. E= 0.67820532E+03 F= 0.62757089E+03 E0= 0.65639578E+03 EK= 0.50634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325992774523E+03 -0.92494E+00 -0.20531E-01 8712 0.231E+01 0.257E-01 RMM: 2 -0.326012612347E+03 -0.19838E-01 -0.16805E-01 5015 0.912E-01 0.871E-01 RMM: 3 -0.326006850845E+03 0.57615E-02 -0.16839E-02 5915 0.247E-01 0.182E-01 RMM: 4 -0.326006784056E+03 0.66789E-04 -0.11642E-03 4841 0.796E-02 0.256E-01 RMM: 5 -0.326006386764E+03 0.39729E-03 -0.27467E-04 3913 0.418E-02 0.117E-01 RMM: 6 -0.326006304525E+03 0.82239E-04 -0.84698E-05 3541 0.262E-02 0.539E-02 RMM: 7 -0.326006342106E+03 -0.37581E-04 -0.57542E-05 3320 0.209E-02 0.964E-02 RMM: 8 -0.326006281377E+03 0.60729E-04 -0.40588E-05 2979 0.191E-02 0.343E-02 RMM: 9 -0.326006276949E+03 0.44275E-05 -0.13860E-05 2488 0.106E-02 6971 T= 5818. E= 0.67460274E+03 F= 0.62647388E+03 E0= 0.65530200E+03 EK= 0.48129E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326932328675E+03 -0.92605E+00 -0.18416E-01 8448 0.228E+01 0.244E-01 RMM: 2 -0.326950758588E+03 -0.18430E-01 -0.14823E-01 5102 0.844E-01 0.880E-01 RMM: 3 -0.326944708377E+03 0.60502E-02 -0.14780E-02 5868 0.226E-01 0.178E-01 RMM: 4 -0.326944667070E+03 0.41306E-04 -0.10948E-03 4798 0.788E-02 0.249E-01 RMM: 5 -0.326944307347E+03 0.35972E-03 -0.25452E-04 3908 0.399E-02 0.123E-01 RMM: 6 -0.326944212968E+03 0.94380E-04 -0.78307E-05 3528 0.253E-02 0.499E-02 RMM: 7 -0.326944248943E+03 -0.35975E-04 -0.64585E-05 3455 0.218E-02 0.925E-02 RMM: 8 -0.326944191624E+03 0.57318E-04 -0.39404E-05 3032 0.192E-02 0.285E-02 RMM: 9 -0.326944189125E+03 0.24990E-05 -0.11203E-05 2477 0.945E-03 6972 T= 5708. E= 0.67259912E+03 F= 0.62537683E+03 E0= 0.65420427E+03 EK= 0.47222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327914781009E+03 -0.97059E+00 -0.18574E-01 8292 0.228E+01 0.220E-01 RMM: 2 -0.327931478908E+03 -0.16698E-01 -0.13990E-01 5086 0.825E-01 0.804E-01 RMM: 3 -0.327926347361E+03 0.51315E-02 -0.13564E-02 5981 0.215E-01 0.163E-01 RMM: 4 -0.327926212281E+03 0.13508E-03 -0.87905E-04 4767 0.702E-02 0.207E-01 RMM: 5 -0.327925963982E+03 0.24830E-03 -0.21249E-04 3898 0.376E-02 0.105E-01 RMM: 6 -0.327925904554E+03 0.59429E-04 -0.76321E-05 3504 0.250E-02 0.581E-02 RMM: 7 -0.327925941647E+03 -0.37093E-04 -0.56087E-05 3319 0.210E-02 0.971E-02 RMM: 8 -0.327925878474E+03 0.63173E-04 -0.32886E-05 2923 0.183E-02 0.289E-02 RMM: 9 -0.327925874773E+03 0.37009E-05 -0.96168E-06 2465 0.867E-03 6973 T= 5816. E= 0.67235424E+03 F= 0.62423816E+03 E0= 0.65306027E+03 EK= 0.48116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328928956488E+03 -0.10031E+01 -0.17943E-01 8220 0.232E+01 0.193E-01 RMM: 2 -0.328943333874E+03 -0.14377E-01 -0.12243E-01 4970 0.786E-01 0.718E-01 RMM: 3 -0.328939298545E+03 0.40353E-02 -0.12522E-02 6019 0.204E-01 0.143E-01 RMM: 4 -0.328939069119E+03 0.22943E-03 -0.68601E-04 4704 0.635E-02 0.156E-01 RMM: 5 -0.328938923360E+03 0.14576E-03 -0.17649E-04 3884 0.361E-02 0.925E-02 RMM: 6 -0.328938898731E+03 0.24629E-04 -0.74853E-05 3518 0.243E-02 0.752E-02 RMM: 7 -0.328938911117E+03 -0.12386E-04 -0.57938E-05 3356 0.221E-02 6974 T= 6112. E= 0.67363489E+03 F= 0.62307291E+03 E0= 0.65188370E+03 EK= 0.50562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329899321153E+03 -0.96042E+00 -0.18614E-01 8016 0.239E+01 0.194E-01 RMM: 2 -0.329914778445E+03 -0.15457E-01 -0.13047E-01 4983 0.833E-01 0.766E-01 RMM: 3 -0.329910531720E+03 0.42467E-02 -0.13826E-02 6043 0.216E-01 0.184E-01 RMM: 4 -0.329910110190E+03 0.42153E-03 -0.63553E-04 4703 0.603E-02 0.125E-01 RMM: 5 -0.329909987960E+03 0.12223E-03 -0.18947E-04 3913 0.404E-02 0.810E-02 RMM: 6 -0.329910053170E+03 -0.65210E-04 -0.11167E-04 3819 0.277E-02 0.134E-01 RMM: 7 -0.329909961479E+03 0.91691E-04 -0.81985E-05 3724 0.259E-02 0.813E-02 RMM: 8 -0.329909918521E+03 0.42958E-04 -0.31467E-05 2947 0.170E-02 0.301E-02 RMM: 9 -0.329909922573E+03 -0.40524E-05 -0.16520E-05 2503 0.115E-02 6975 T= 6507. E= 0.67578506E+03 F= 0.62195604E+03 E0= 0.65074808E+03 EK= 0.53829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330712614663E+03 -0.80270E+00 -0.20280E-01 8076 0.247E+01 0.207E-01 RMM: 2 -0.330731558755E+03 -0.18944E-01 -0.16554E-01 4966 0.954E-01 0.793E-01 RMM: 3 -0.330727089913E+03 0.44688E-02 -0.17846E-02 6011 0.241E-01 0.162E-01 RMM: 4 -0.330726664853E+03 0.42506E-03 -0.86118E-04 4889 0.701E-02 0.154E-01 RMM: 5 -0.330726515890E+03 0.14896E-03 -0.18423E-04 3912 0.386E-02 0.848E-02 RMM: 6 -0.330726503835E+03 0.12056E-04 -0.85409E-05 3595 0.255E-02 6976 T= 6858. E= 0.67773724E+03 F= 0.62100008E+03 E0= 0.64976262E+03 EK= 0.56737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331267416652E+03 -0.54090E+00 -0.21653E-01 8064 0.251E+01 0.292E-01 RMM: 2 -0.331299840081E+03 -0.32423E-01 -0.17892E-01 5089 0.959E-01 0.157E+00 RMM: 3 -0.331282422094E+03 0.17418E-01 -0.19509E-02 5533 0.290E-01 0.279E-01 RMM: 4 -0.331281793121E+03 0.62897E-03 -0.15343E-03 4945 0.801E-02 0.133E-01 RMM: 5 -0.331281683219E+03 0.10990E-03 -0.26864E-04 4022 0.457E-02 0.118E-01 RMM: 6 -0.331281637421E+03 0.45799E-04 -0.12809E-04 3872 0.297E-02 0.110E-01 RMM: 7 -0.331281651846E+03 -0.14426E-04 -0.15582E-04 3894 0.337E-02 6977 T= 7016. E= 0.67835125E+03 F= 0.62031073E+03 E0= 0.64903579E+03 EK= 0.58041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331518391433E+03 -0.23675E+00 -0.21122E-01 8052 0.252E+01 0.262E-01 RMM: 2 -0.331541422339E+03 -0.23031E-01 -0.15215E-01 5056 0.910E-01 0.122E+00 RMM: 3 -0.331530875457E+03 0.10547E-01 -0.16179E-02 5637 0.267E-01 0.258E-01 RMM: 4 -0.331530326042E+03 0.54942E-03 -0.12942E-03 4866 0.769E-02 0.131E-01 RMM: 5 -0.331530209173E+03 0.11687E-03 -0.20742E-04 3888 0.382E-02 0.111E-01 RMM: 6 -0.331530170294E+03 0.38880E-04 -0.87890E-05 3695 0.260E-02 0.926E-02 RMM: 7 -0.331530183623E+03 -0.13330E-04 -0.10773E-04 3881 0.270E-02 6978 T= 6907. E= 0.67706893E+03 F= 0.61993123E+03 E0= 0.64860943E+03 EK= 0.57138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331505616519E+03 0.24554E-01 -0.20636E-01 8316 0.247E+01 0.246E-01 RMM: 2 -0.331525797190E+03 -0.20181E-01 -0.14064E-01 5088 0.849E-01 0.108E+00 RMM: 3 -0.331517301120E+03 0.84961E-02 -0.14718E-02 5782 0.240E-01 0.232E-01 RMM: 4 -0.331516859371E+03 0.44175E-03 -0.10671E-03 4780 0.743E-02 0.147E-01 RMM: 5 -0.331516736041E+03 0.12333E-03 -0.21932E-04 3902 0.386E-02 0.109E-01 RMM: 6 -0.331516680236E+03 0.55805E-04 -0.99903E-05 3697 0.279E-02 0.740E-02 RMM: 7 -0.331516727676E+03 -0.47440E-04 -0.91933E-05 3840 0.256E-02 0.118E-01 RMM: 8 -0.331516631881E+03 0.95796E-04 -0.48683E-05 3232 0.206E-02 0.337E-02 RMM: 9 -0.331516627720E+03 0.41612E-05 -0.14302E-05 2499 0.108E-02 6979 T= 6588. E= 0.67431204E+03 F= 0.61981515E+03 E0= 0.64844002E+03 EK= 0.54497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331345628185E+03 0.17100E+00 -0.19352E-01 8364 0.239E+01 0.216E-01 RMM: 2 -0.331360383259E+03 -0.14755E-01 -0.12184E-01 4969 0.793E-01 0.790E-01 RMM: 3 -0.331355538545E+03 0.48447E-02 -0.12490E-02 5990 0.218E-01 0.132E-01 RMM: 4 -0.331355498550E+03 0.39996E-04 -0.78916E-04 4721 0.670E-02 0.211E-01 RMM: 5 -0.331355212367E+03 0.28618E-03 -0.19180E-04 3886 0.377E-02 0.798E-02 RMM: 6 -0.331355181778E+03 0.30589E-04 -0.59055E-05 3312 0.222E-02 0.550E-02 RMM: 7 -0.331355198794E+03 -0.17015E-04 -0.44100E-05 3012 0.199E-02 6980 T= 6203. E= 0.67116502E+03 F= 0.61984726E+03 E0= 0.64841498E+03 EK= 0.51318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331174506456E+03 0.18068E+00 -0.18368E-01 8388 0.232E+01 0.240E-01 RMM: 2 -0.331187911541E+03 -0.13405E-01 -0.10818E-01 5003 0.763E-01 0.801E-01 RMM: 3 -0.331183107153E+03 0.48044E-02 -0.11148E-02 5865 0.216E-01 0.182E-01 RMM: 4 -0.331183115423E+03 -0.82705E-05 -0.92815E-04 4705 0.732E-02 0.238E-01 RMM: 5 -0.331182734385E+03 0.38104E-03 -0.23255E-04 3886 0.397E-02 0.890E-02 RMM: 6 -0.331182701421E+03 0.32964E-04 -0.66535E-05 3442 0.231E-02 0.658E-02 RMM: 7 -0.331182730724E+03 -0.29303E-04 -0.89049E-05 3857 0.250E-02 0.102E-01 RMM: 8 -0.331182661892E+03 0.68831E-04 -0.39953E-05 3086 0.188E-02 0.226E-02 RMM: 9 -0.331182663510E+03 -0.16176E-05 -0.10757E-05 2474 0.956E-03 6981 T= 5902. E= 0.66871229E+03 F= 0.61989099E+03 E0= 0.64840077E+03 EK= 0.48821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331106388096E+03 0.76274E-01 -0.17651E-01 8496 0.227E+01 0.221E-01 RMM: 2 -0.331118102380E+03 -0.11714E-01 -0.95384E-02 4958 0.719E-01 0.755E-01 RMM: 3 -0.331113732260E+03 0.43701E-02 -0.97639E-03 5923 0.204E-01 0.142E-01 RMM: 4 -0.331113740443E+03 -0.81831E-05 -0.76683E-04 4667 0.660E-02 0.210E-01 RMM: 5 -0.331113489692E+03 0.25075E-03 -0.19110E-04 3878 0.377E-02 0.102E-01 RMM: 6 -0.331113420999E+03 0.68692E-04 -0.58272E-05 3318 0.230E-02 0.375E-02 RMM: 7 -0.331113439861E+03 -0.18862E-04 -0.31956E-05 2699 0.169E-02 6982 T= 5778. E= 0.66763580E+03 F= 0.61983333E+03 E0= 0.64828658E+03 EK= 0.47802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331203966365E+03 -0.90545E-01 -0.17647E-01 8592 0.227E+01 0.176E-01 RMM: 2 -0.331212242317E+03 -0.82760E-02 -0.78410E-02 5070 0.648E-01 0.492E-01 RMM: 3 -0.331210162032E+03 0.20803E-02 -0.75562E-03 6047 0.173E-01 0.108E-01 RMM: 4 -0.331210215345E+03 -0.53313E-04 -0.44430E-04 4503 0.504E-02 0.194E-01 RMM: 5 -0.331209962278E+03 0.25307E-03 -0.13544E-04 3865 0.334E-02 0.581E-02 RMM: 6 -0.331209970165E+03 -0.78875E-05 -0.57293E-05 3309 0.214E-02 6983 T= 5869. E= 0.66816767E+03 F= 0.61961386E+03 E0= 0.64801249E+03 EK= 0.48554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331464449227E+03 -0.25449E+00 -0.18191E-01 8412 0.232E+01 0.254E-01 RMM: 2 -0.331485493016E+03 -0.21044E-01 -0.89040E-02 4940 0.711E-01 0.141E+00 RMM: 3 -0.331471408970E+03 0.14084E-01 -0.10946E-02 5406 0.242E-01 0.224E-01 RMM: 4 -0.331471097075E+03 0.31189E-03 -0.10859E-03 4711 0.700E-02 0.115E-01 RMM: 5 -0.331471049497E+03 0.47578E-04 -0.18160E-04 3892 0.370E-02 0.106E-01 RMM: 6 -0.331470982247E+03 0.67250E-04 -0.63731E-05 3395 0.230E-02 0.551E-02 RMM: 7 -0.331471017616E+03 -0.35369E-04 -0.68217E-05 3529 0.234E-02 0.938E-02 RMM: 8 -0.331470955321E+03 0.62294E-04 -0.34847E-05 2975 0.186E-02 0.268E-02 RMM: 9 -0.331470952899E+03 0.24219E-05 -0.11342E-05 2468 0.967E-03 6984 T= 6152. E= 0.67012988E+03 F= 0.61923574E+03 E0= 0.64758299E+03 EK= 0.50894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331827382224E+03 -0.35643E+00 -0.19134E-01 8676 0.239E+01 0.266E-01 RMM: 2 -0.331850417100E+03 -0.23035E-01 -0.91164E-02 5024 0.731E-01 0.149E+00 RMM: 3 -0.331834450600E+03 0.15966E-01 -0.11409E-02 5412 0.252E-01 0.258E-01 RMM: 4 -0.331833990580E+03 0.46002E-03 -0.12227E-03 4756 0.754E-02 0.901E-02 RMM: 5 -0.331833958728E+03 0.31852E-04 -0.17060E-04 3883 0.343E-02 0.104E-01 RMM: 6 -0.331833895721E+03 0.63007E-04 -0.57827E-05 3330 0.228E-02 0.462E-02 RMM: 7 -0.331833921362E+03 -0.25640E-04 -0.45947E-05 3092 0.196E-02 0.858E-02 RMM: 8 -0.331833870145E+03 0.51216E-04 -0.32841E-05 2836 0.185E-02 0.225E-02 RMM: 9 -0.331833868535E+03 0.16102E-05 -0.10349E-05 2455 0.914E-03 6985 T= 6544. E= 0.67289545E+03 F= 0.61876249E+03 E0= 0.64706189E+03 EK= 0.54133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332180719908E+03 -0.34685E+00 -0.20587E-01 8628 0.247E+01 0.179E-01 RMM: 2 -0.332193295543E+03 -0.12576E-01 -0.98580E-02 5129 0.742E-01 0.773E-01 RMM: 3 -0.332189024721E+03 0.42708E-02 -0.98586E-03 5873 0.196E-01 0.172E-01 RMM: 4 -0.332188741028E+03 0.28369E-03 -0.54555E-04 4587 0.540E-02 0.108E-01 RMM: 5 -0.332188649896E+03 0.91131E-04 -0.10793E-04 3855 0.306E-02 0.704E-02 RMM: 6 -0.332188659339E+03 -0.94426E-05 -0.56512E-05 3312 0.211E-02 6986 T= 6901. E= 0.67539256E+03 F= 0.61830404E+03 E0= 0.64655882E+03 EK= 0.57089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332402114578E+03 -0.21346E+00 -0.21401E-01 8616 0.252E+01 0.290E-01 RMM: 2 -0.332428214104E+03 -0.26100E-01 -0.10576E-01 5202 0.761E-01 0.160E+00 RMM: 3 -0.332410142056E+03 0.18072E-01 -0.12532E-02 5400 0.262E-01 0.264E-01 RMM: 4 -0.332409665953E+03 0.47610E-03 -0.12639E-03 4745 0.720E-02 0.110E-01 RMM: 5 -0.332409589145E+03 0.76808E-04 -0.16813E-04 3889 0.361E-02 0.988E-02 RMM: 6 -0.332409557004E+03 0.32140E-04 -0.86459E-05 3746 0.261E-02 0.865E-02 RMM: 7 -0.332409624255E+03 -0.67250E-04 -0.11016E-04 3884 0.282E-02 0.139E-01 RMM: 8 -0.332409491484E+03 0.13277E-03 -0.69532E-05 3511 0.235E-02 0.402E-02 RMM: 9 -0.332409487791E+03 0.36931E-05 -0.20324E-05 2560 0.129E-02 6987 T= 7066. E= 0.67643812E+03 F= 0.61798504E+03 E0= 0.64620041E+03 EK= 0.58453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332393389195E+03 0.16102E-01 -0.21607E-01 8448 0.253E+01 0.267E-01 RMM: 2 -0.332415242433E+03 -0.21853E-01 -0.10925E-01 4991 0.771E-01 0.135E+00 RMM: 3 -0.332402129692E+03 0.13113E-01 -0.12883E-02 5440 0.263E-01 0.279E-01 RMM: 4 -0.332401664439E+03 0.46525E-03 -0.14601E-03 4930 0.846E-02 0.138E-01 RMM: 5 -0.332401563635E+03 0.10080E-03 -0.22809E-04 3883 0.405E-02 0.106E-01 RMM: 6 -0.332401493587E+03 0.70048E-04 -0.58500E-05 3347 0.227E-02 0.460E-02 RMM: 7 -0.332401506930E+03 -0.13343E-04 -0.41006E-05 2978 0.188E-02 6988 T= 6954. E= 0.67542426E+03 F= 0.61789874E+03 E0= 0.64607625E+03 EK= 0.57526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332122756286E+03 0.27874E+00 -0.21732E-01 8400 0.249E+01 0.206E-01 RMM: 2 -0.332137651328E+03 -0.14895E-01 -0.10863E-01 5073 0.750E-01 0.896E-01 RMM: 3 -0.332131410270E+03 0.62411E-02 -0.10544E-02 5648 0.216E-01 0.168E-01 RMM: 4 -0.332131246247E+03 0.16402E-03 -0.75461E-04 4688 0.622E-02 0.138E-01 RMM: 5 -0.332131117462E+03 0.12879E-03 -0.13961E-04 3886 0.310E-02 0.876E-02 RMM: 6 -0.332131097489E+03 0.19972E-04 -0.61526E-05 3355 0.220E-02 6989 T= 6613. E= 0.67278239E+03 F= 0.61807721E+03 E0= 0.64621913E+03 EK= 0.54705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331621150422E+03 0.50997E+00 -0.20974E-01 8244 0.243E+01 0.332E-01 RMM: 2 -0.331650767323E+03 -0.29617E-01 -0.11365E-01 4937 0.800E-01 0.173E+00 RMM: 3 -0.331629873695E+03 0.20894E-01 -0.16467E-02 5406 0.304E-01 0.303E-01 RMM: 4 -0.331629272263E+03 0.60143E-03 -0.16720E-03 4850 0.831E-02 0.118E-01 RMM: 5 -0.331629248167E+03 0.24096E-04 -0.21647E-04 3916 0.369E-02 0.128E-01 RMM: 6 -0.331629145134E+03 0.10303E-03 -0.74987E-05 3481 0.253E-02 0.498E-02 RMM: 7 -0.331629162474E+03 -0.17339E-04 -0.37708E-05 2969 0.182E-02 6990 T= 6189. E= 0.66968486E+03 F= 0.61848877E+03 E0= 0.64659524E+03 EK= 0.51196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330953739361E+03 0.67541E+00 -0.19220E-01 8376 0.236E+01 0.364E-01 RMM: 2 -0.330987735988E+03 -0.33997E-01 -0.11761E-01 4925 0.818E-01 0.193E+00 RMM: 3 -0.330962379135E+03 0.25357E-01 -0.17223E-02 5392 0.316E-01 0.356E-01 RMM: 4 -0.330961514847E+03 0.86429E-03 -0.19774E-03 5004 0.932E-02 0.137E-01 RMM: 5 -0.330961548020E+03 -0.33173E-04 -0.31871E-04 3964 0.442E-02 0.161E-01 RMM: 6 -0.330961369194E+03 0.17883E-03 -0.10886E-04 3773 0.298E-02 0.382E-02 RMM: 7 -0.330961374180E+03 -0.49865E-05 -0.23130E-05 2609 0.138E-02 6991 T= 5835. E= 0.66733769E+03 F= 0.61906790E+03 E0= 0.64713742E+03 EK= 0.48270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330184898669E+03 0.77647E+00 -0.18815E-01 8100 0.231E+01 0.254E-01 RMM: 2 -0.330204514415E+03 -0.19616E-01 -0.12584E-01 4896 0.832E-01 0.114E+00 RMM: 3 -0.330195261040E+03 0.92534E-02 -0.14905E-02 5551 0.261E-01 0.206E-01 RMM: 4 -0.330195013742E+03 0.24730E-03 -0.12019E-03 4812 0.734E-02 0.148E-01 RMM: 5 -0.330194926229E+03 0.87513E-04 -0.17972E-04 3899 0.326E-02 0.120E-01 RMM: 6 -0.330194833371E+03 0.92858E-04 -0.69185E-05 3424 0.239E-02 0.374E-02 RMM: 7 -0.330194850856E+03 -0.17484E-04 -0.31389E-05 2775 0.169E-02 6992 T= 5656. E= 0.66653638E+03 F= 0.61974856E+03 E0= 0.64778081E+03 EK= 0.46788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329371325821E+03 0.82351E+00 -0.17574E-01 8220 0.230E+01 0.232E-01 RMM: 2 -0.329387249806E+03 -0.15924E-01 -0.10829E-01 4960 0.777E-01 0.101E+00 RMM: 3 -0.329380016551E+03 0.72333E-02 -0.12153E-02 5716 0.228E-01 0.182E-01 RMM: 4 -0.329379748231E+03 0.26832E-03 -0.92518E-04 4706 0.670E-02 0.134E-01 RMM: 5 -0.329379692208E+03 0.56023E-04 -0.15528E-04 3876 0.322E-02 0.111E-01 RMM: 6 -0.329379612286E+03 0.79922E-04 -0.53604E-05 3268 0.216E-02 0.370E-02 RMM: 7 -0.329379629037E+03 -0.16752E-04 -0.30287E-05 2759 0.163E-02 6993 T= 5698. E= 0.66762209E+03 F= 0.62048228E+03 E0= 0.64847722E+03 EK= 0.47140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328535462302E+03 0.84415E+00 -0.17336E-01 8376 0.233E+01 0.195E-01 RMM: 2 -0.328548754207E+03 -0.13292E-01 -0.93034E-02 5055 0.706E-01 0.887E-01 RMM: 3 -0.328542988695E+03 0.57655E-02 -0.96808E-03 5738 0.201E-01 0.158E-01 RMM: 4 -0.328542799629E+03 0.18907E-03 -0.69076E-04 4674 0.579E-02 0.119E-01 RMM: 5 -0.328542714498E+03 0.85131E-04 -0.11172E-04 3756 0.270E-02 0.782E-02 RMM: 6 -0.328542682771E+03 0.31727E-04 -0.35339E-05 2969 0.179E-02 0.451E-02 RMM: 7 -0.328542700512E+03 -0.17741E-04 -0.35038E-05 2818 0.172E-02 6994 T= 5960. E= 0.67055055E+03 F= 0.62124353E+03 E0= 0.64920352E+03 EK= 0.49307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327685872775E+03 0.85681E+00 -0.18016E-01 8316 0.239E+01 0.196E-01 RMM: 2 -0.327699628239E+03 -0.13755E-01 -0.99953E-02 5103 0.738E-01 0.883E-01 RMM: 3 -0.327694108689E+03 0.55195E-02 -0.10485E-02 5783 0.204E-01 0.178E-01 RMM: 4 -0.327693817919E+03 0.29077E-03 -0.68246E-04 4700 0.576E-02 0.105E-01 RMM: 5 -0.327693765202E+03 0.52718E-04 -0.11918E-04 3828 0.293E-02 0.884E-02 RMM: 6 -0.327693719613E+03 0.45589E-04 -0.44001E-05 3132 0.196E-02 0.486E-02 RMM: 7 -0.327693729620E+03 -0.10007E-04 -0.45671E-05 3093 0.195E-02 6995 T= 6385. E= 0.67484570E+03 F= 0.62202347E+03 E0= 0.64995367E+03 EK= 0.52822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326832735321E+03 0.86098E+00 -0.19245E-01 8244 0.247E+01 0.195E-01 RMM: 2 -0.326846543353E+03 -0.13808E-01 -0.10005E-01 5160 0.754E-01 0.891E-01 RMM: 3 -0.326840950484E+03 0.55929E-02 -0.10322E-02 5822 0.203E-01 0.179E-01 RMM: 4 -0.326840643393E+03 0.30709E-03 -0.65630E-04 4692 0.580E-02 0.102E-01 RMM: 5 -0.326840571411E+03 0.71982E-04 -0.10726E-04 3814 0.275E-02 0.772E-02 RMM: 6 -0.326840548857E+03 0.22554E-04 -0.32928E-05 2877 0.173E-02 0.595E-02 RMM: 7 -0.326840547582E+03 0.12752E-05 -0.46273E-05 3082 0.191E-02 6996 T= 6849. E= 0.67947623E+03 F= 0.62281424E+03 E0= 0.65072395E+03 EK= 0.56662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325999525823E+03 0.84102E+00 -0.19509E-01 8232 0.253E+01 0.182E-01 RMM: 2 -0.326013464716E+03 -0.13939E-01 -0.11442E-01 5073 0.800E-01 0.771E-01 RMM: 3 -0.326009251798E+03 0.42129E-02 -0.11771E-02 5916 0.207E-01 0.167E-01 RMM: 4 -0.326008928631E+03 0.32317E-03 -0.61010E-04 4674 0.579E-02 0.109E-01 RMM: 5 -0.326008856832E+03 0.71799E-04 -0.10849E-04 3795 0.287E-02 0.807E-02 RMM: 6 -0.326008828656E+03 0.28176E-04 -0.36795E-05 2972 0.182E-02 0.588E-02 RMM: 7 -0.326008832911E+03 -0.42545E-05 -0.44494E-05 3063 0.192E-02 6997 T= 7178. E= 0.68296840E+03 F= 0.62358937E+03 E0= 0.65149113E+03 EK= 0.59379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325245204839E+03 0.76362E+00 -0.19359E-01 8268 0.255E+01 0.201E-01 RMM: 2 -0.325259640123E+03 -0.14435E-01 -0.10614E-01 5173 0.775E-01 0.901E-01 RMM: 3 -0.325253950111E+03 0.56900E-02 -0.10467E-02 5821 0.206E-01 0.194E-01 RMM: 4 -0.325253620955E+03 0.32916E-03 -0.68958E-04 4665 0.598E-02 0.102E-01 RMM: 5 -0.325253552545E+03 0.68410E-04 -0.10945E-04 3794 0.275E-02 0.797E-02 RMM: 6 -0.325253525604E+03 0.26942E-04 -0.33376E-05 2894 0.175E-02 0.552E-02 RMM: 7 -0.325253534816E+03 -0.92128E-05 -0.40313E-05 2917 0.180E-02 6998 T= 7224. E= 0.68405736E+03 F= 0.62429271E+03 E0= 0.65219986E+03 EK= 0.59765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324649488816E+03 0.60404E+00 -0.19079E-01 7956 0.252E+01 0.189E-01 RMM: 2 -0.324663213504E+03 -0.13725E-01 -0.11163E-01 5013 0.800E-01 0.776E-01 RMM: 3 -0.324658867504E+03 0.43460E-02 -0.11621E-02 5882 0.213E-01 0.149E-01 RMM: 4 -0.324658651471E+03 0.21603E-03 -0.63325E-04 4683 0.597E-02 0.128E-01 RMM: 5 -0.324658567983E+03 0.83488E-04 -0.11597E-04 3740 0.297E-02 0.867E-02 RMM: 6 -0.324658525016E+03 0.42967E-04 -0.41488E-05 3079 0.195E-02 0.436E-02 RMM: 7 -0.324658538530E+03 -0.13513E-04 -0.36059E-05 2782 0.178E-02 6999 T= 6973. E= 0.68252191E+03 F= 0.62483919E+03 E0= 0.65276404E+03 EK= 0.57683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324302506487E+03 0.35602E+00 -0.17838E-01 8016 0.245E+01 0.212E-01 RMM: 2 -0.324316573026E+03 -0.14067E-01 -0.97480E-02 5131 0.753E-01 0.930E-01 RMM: 3 -0.324310345160E+03 0.62279E-02 -0.95526E-03 5694 0.205E-01 0.192E-01 RMM: 4 -0.324310090806E+03 0.25435E-03 -0.74450E-04 4646 0.634E-02 0.115E-01 RMM: 5 -0.324310027271E+03 0.63535E-04 -0.11884E-04 3754 0.281E-02 0.896E-02 RMM: 6 -0.324309980247E+03 0.47024E-04 -0.36224E-05 2985 0.187E-02 0.379E-02 RMM: 7 -0.324309990185E+03 -0.99380E-05 -0.22839E-05 2553 0.141E-02 7000 T= 6549. E= 0.67932143E+03 F= 0.62514182E+03 E0= 0.65309284E+03 EK= 0.54180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324258163142E+03 0.51817E-01 -0.16980E-01 7896 0.237E+01 0.194E-01 RMM: 2 -0.324270404311E+03 -0.12241E-01 -0.94719E-02 5113 0.734E-01 0.783E-01 RMM: 3 -0.324265947332E+03 0.44570E-02 -0.94271E-03 5733 0.197E-01 0.158E-01 RMM: 4 -0.324265784941E+03 0.16239E-03 -0.64504E-04 4644 0.592E-02 0.132E-01 RMM: 5 -0.324265706202E+03 0.78739E-04 -0.12060E-04 3727 0.296E-02 0.940E-02 RMM: 6 -0.324265651747E+03 0.54455E-04 -0.40404E-05 3064 0.197E-02 0.335E-02 RMM: 7 -0.324265660169E+03 -0.84219E-05 -0.21249E-05 2530 0.138E-02 7001 T= 6132. E= 0.67587452E+03 F= 0.62514258E+03 E0= 0.65312512E+03 EK= 0.50732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324535441217E+03 -0.26979E+00 -0.16033E-01 7920 0.230E+01 0.218E-01 RMM: 2 -0.324549409997E+03 -0.13969E-01 -0.88057E-02 5119 0.720E-01 0.991E-01 RMM: 3 -0.324542438670E+03 0.69713E-02 -0.92597E-03 5652 0.206E-01 0.186E-01 RMM: 4 -0.324542190892E+03 0.24778E-03 -0.75612E-04 4664 0.624E-02 0.110E-01 RMM: 5 -0.324542140741E+03 0.50151E-04 -0.11874E-04 3809 0.285E-02 0.907E-02 RMM: 6 -0.324542090695E+03 0.50045E-04 -0.36953E-05 3006 0.188E-02 0.369E-02 RMM: 7 -0.324542097612E+03 -0.69169E-05 -0.19320E-05 2534 0.132E-02 7002 T= 5860. E= 0.67330320E+03 F= 0.62482514E+03 E0= 0.65284159E+03 EK= 0.48478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325108485253E+03 -0.56639E+00 -0.15771E-01 7776 0.228E+01 0.195E-01 RMM: 2 -0.325120911004E+03 -0.12426E-01 -0.89356E-02 5048 0.713E-01 0.844E-01 RMM: 3 -0.325115875562E+03 0.50354E-02 -0.97039E-03 5671 0.203E-01 0.163E-01 RMM: 4 -0.325115672809E+03 0.20275E-03 -0.65660E-04 4681 0.565E-02 0.108E-01 RMM: 5 -0.325115626856E+03 0.45952E-04 -0.10402E-04 3667 0.271E-02 0.893E-02 RMM: 6 -0.325115577673E+03 0.49183E-04 -0.37449E-05 2998 0.188E-02 0.359E-02 RMM: 7 -0.325115589130E+03 -0.11457E-04 -0.26505E-05 2612 0.155E-02 7003 T= 5798. E= 0.67218276E+03 F= 0.62421381E+03 E0= 0.65226520E+03 EK= 0.47969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325920303004E+03 -0.80473E+00 -0.16055E-01 7788 0.229E+01 0.212E-01 RMM: 2 -0.325934995125E+03 -0.14692E-01 -0.94797E-02 5035 0.740E-01 0.996E-01 RMM: 3 -0.325928093656E+03 0.69015E-02 -0.10683E-02 5678 0.213E-01 0.182E-01 RMM: 4 -0.325927799499E+03 0.29416E-03 -0.76649E-04 4670 0.614E-02 0.966E-02 RMM: 5 -0.325927761268E+03 0.38231E-04 -0.11554E-04 3788 0.281E-02 0.846E-02 RMM: 6 -0.325927718688E+03 0.42580E-04 -0.35737E-05 2972 0.183E-02 0.398E-02 RMM: 7 -0.325927729404E+03 -0.10716E-04 -0.22086E-05 2565 0.141E-02 7004 T= 5952. E= 0.67260911E+03 F= 0.62336757E+03 E0= 0.65145427E+03 EK= 0.49242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326882685783E+03 -0.95497E+00 -0.17016E-01 7860 0.234E+01 0.190E-01 RMM: 2 -0.326896576999E+03 -0.13891E-01 -0.10491E-01 4998 0.765E-01 0.840E-01 RMM: 3 -0.326891646487E+03 0.49305E-02 -0.11641E-02 5723 0.214E-01 0.173E-01 RMM: 4 -0.326891361325E+03 0.28516E-03 -0.69458E-04 4757 0.576E-02 0.986E-02 RMM: 5 -0.326891302662E+03 0.58663E-04 -0.10677E-04 3733 0.281E-02 0.766E-02 RMM: 6 -0.326891271325E+03 0.31337E-04 -0.33429E-05 2879 0.175E-02 0.465E-02 RMM: 7 -0.326891269494E+03 0.18311E-05 -0.43318E-05 3014 0.192E-02 7005 T= 6271. E= 0.67425509E+03 F= 0.62237404E+03 E0= 0.65049546E+03 EK= 0.51881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327888347665E+03 -0.99708E+00 -0.18435E-01 8028 0.241E+01 0.178E-01 RMM: 2 -0.327901614160E+03 -0.13266E-01 -0.10965E-01 4975 0.793E-01 0.741E-01 RMM: 3 -0.327897793083E+03 0.38211E-02 -0.12077E-02 5970 0.208E-01 0.157E-01 RMM: 4 -0.327897486152E+03 0.30693E-03 -0.62103E-04 4633 0.607E-02 0.115E-01 RMM: 5 -0.327897399155E+03 0.86997E-04 -0.11462E-04 3793 0.298E-02 0.739E-02 RMM: 6 -0.327897375046E+03 0.24108E-04 -0.31011E-05 2783 0.169E-02 0.516E-02 RMM: 7 -0.327897372138E+03 0.29084E-05 -0.33233E-05 2647 0.169E-02 7006 T= 6650. E= 0.67635144E+03 F= 0.62134208E+03 E0= 0.64949749E+03 EK= 0.55009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328820060565E+03 -0.92269E+00 -0.19639E-01 8316 0.247E+01 0.176E-01 RMM: 2 -0.328834095748E+03 -0.14035E-01 -0.12166E-01 5043 0.811E-01 0.700E-01 RMM: 3 -0.328830456924E+03 0.36388E-02 -0.12694E-02 5982 0.210E-01 0.156E-01 RMM: 4 -0.328830160308E+03 0.29662E-03 -0.61967E-04 4667 0.588E-02 0.120E-01 RMM: 5 -0.328830052562E+03 0.10775E-03 -0.11002E-04 3776 0.293E-02 0.653E-02 RMM: 6 -0.328830039438E+03 0.13125E-04 -0.31390E-05 2762 0.167E-02 7007 T= 6940. E= 0.67779662E+03 F= 0.62038742E+03 E0= 0.64857360E+03 EK= 0.57409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329584757782E+03 -0.75471E+00 -0.20916E-01 8568 0.249E+01 0.202E-01 RMM: 2 -0.329603107349E+03 -0.18350E-01 -0.11742E-01 5021 0.790E-01 0.107E+00 RMM: 3 -0.329594581065E+03 0.85263E-02 -0.11986E-02 5570 0.230E-01 0.175E-01 RMM: 4 -0.329594335240E+03 0.24582E-03 -0.84584E-04 4794 0.626E-02 0.107E-01 RMM: 5 -0.329594253727E+03 0.81513E-04 -0.12096E-04 3866 0.304E-02 0.682E-02 RMM: 6 -0.329594237290E+03 0.16437E-04 -0.33484E-05 2827 0.170E-02 7008 T= 7012. E= 0.67760927E+03 F= 0.61960470E+03 E0= 0.64781858E+03 EK= 0.58005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330131378374E+03 -0.53712E+00 -0.20614E-01 8472 0.247E+01 0.325E-01 RMM: 2 -0.330164632562E+03 -0.33254E-01 -0.11236E-01 5007 0.807E-01 0.186E+00 RMM: 3 -0.330140010910E+03 0.24622E-01 -0.15434E-02 5403 0.297E-01 0.302E-01 RMM: 4 -0.330139346473E+03 0.66444E-03 -0.17286E-03 4883 0.878E-02 0.986E-02 RMM: 5 -0.330139308221E+03 0.38252E-04 -0.19860E-04 3959 0.329E-02 0.997E-02 RMM: 6 -0.330139247180E+03 0.61041E-04 -0.44904E-05 3052 0.204E-02 0.499E-02 RMM: 7 -0.330139272455E+03 -0.25275E-04 -0.40739E-05 2968 0.185E-02 0.873E-02 RMM: 8 -0.330139218852E+03 0.53603E-04 -0.53474E-05 3061 0.187E-02 0.313E-02 RMM: 9 -0.330139218553E+03 0.29853E-06 -0.19275E-05 2506 0.129E-02 7009 T= 6830. E= 0.67554728E+03 F= 0.61904436E+03 E0= 0.64728069E+03 EK= 0.56503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330458970350E+03 -0.31975E+00 -0.19884E-01 8592 0.242E+01 0.262E-01 RMM: 2 -0.330480754155E+03 -0.21784E-01 -0.11395E-01 4980 0.775E-01 0.131E+00 RMM: 3 -0.330467897405E+03 0.12857E-01 -0.12590E-02 5408 0.261E-01 0.284E-01 RMM: 4 -0.330467386288E+03 0.51112E-03 -0.14393E-03 4935 0.835E-02 0.113E-01 RMM: 5 -0.330467366526E+03 0.19762E-04 -0.19245E-04 3886 0.344E-02 7010 T= 6478. E= 0.67229657E+03 F= 0.61870392E+03 E0= 0.64695566E+03 EK= 0.53593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330612420790E+03 -0.14503E+00 -0.19014E-01 8796 0.235E+01 0.179E-01 RMM: 2 -0.330626409182E+03 -0.13988E-01 -0.10302E-01 5323 0.720E-01 0.853E-01 RMM: 3 -0.330620711529E+03 0.56977E-02 -0.85352E-03 5695 0.190E-01 0.166E-01 RMM: 4 -0.330620494840E+03 0.21669E-03 -0.58600E-04 4693 0.539E-02 0.100E-01 RMM: 5 -0.330620413651E+03 0.81189E-04 -0.10665E-04 3883 0.252E-02 0.797E-02 RMM: 6 -0.330620409139E+03 0.45122E-05 -0.71828E-05 3534 0.234E-02 7011 T= 6100. E= 0.66900497E+03 F= 0.61854175E+03 E0= 0.64680371E+03 EK= 0.50463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330647283333E+03 -0.26870E-01 -0.18145E-01 8268 0.229E+01 0.350E-01 RMM: 2 -0.330679742268E+03 -0.32459E-01 -0.10990E-01 4981 0.792E-01 0.187E+00 RMM: 3 -0.330655130285E+03 0.24612E-01 -0.16779E-02 5369 0.315E-01 0.296E-01 RMM: 4 -0.330654543117E+03 0.58717E-03 -0.17717E-03 4979 0.841E-02 0.104E-01 RMM: 5 -0.330654545794E+03 -0.26772E-05 -0.22082E-04 3893 0.365E-02 0.125E-01 RMM: 6 -0.330654444220E+03 0.10157E-03 -0.69571E-05 3441 0.247E-02 0.389E-02 RMM: 7 -0.330654443769E+03 0.45047E-06 -0.18504E-05 2526 0.133E-02 7012 T= 5824. E= 0.66667835E+03 F= 0.61850198E+03 E0= 0.64676803E+03 EK= 0.48176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330609954654E+03 0.44490E-01 -0.17049E-01 8700 0.225E+01 0.359E-01 RMM: 2 -0.330645630580E+03 -0.35676E-01 -0.10391E-01 5145 0.766E-01 0.201E+00 RMM: 3 -0.330617549324E+03 0.28081E-01 -0.15792E-02 5377 0.305E-01 0.356E-01 RMM: 4 -0.330616587902E+03 0.96142E-03 -0.18648E-03 4840 0.895E-02 0.104E-01 RMM: 5 -0.330616565964E+03 0.21938E-04 -0.22763E-04 3898 0.368E-02 0.110E-01 RMM: 6 -0.330616477138E+03 0.88826E-04 -0.57641E-05 3285 0.223E-02 0.452E-02 RMM: 7 -0.330616481586E+03 -0.44475E-05 -0.28412E-05 2634 0.157E-02 7013 T= 5726. E= 0.66590675E+03 F= 0.61853787E+03 E0= 0.64680199E+03 EK= 0.47369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330526917975E+03 0.89559E-01 -0.16593E-01 8388 0.225E+01 0.250E-01 RMM: 2 -0.330546358143E+03 -0.19440E-01 -0.89571E-02 5159 0.692E-01 0.133E+00 RMM: 3 -0.330533739779E+03 0.12618E-01 -0.10302E-02 5434 0.232E-01 0.225E-01 RMM: 4 -0.330533396101E+03 0.34368E-03 -0.10222E-03 4801 0.644E-02 0.862E-02 RMM: 5 -0.330533386946E+03 0.91552E-05 -0.13431E-04 3855 0.304E-02 7014 T= 5832. E= 0.66687074E+03 F= 0.61862267E+03 E0= 0.64687878E+03 EK= 0.48248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330400505130E+03 0.13289E+00 -0.16883E-01 8196 0.228E+01 0.189E-01 RMM: 2 -0.330415206374E+03 -0.14701E-01 -0.10161E-01 5064 0.726E-01 0.897E-01 RMM: 3 -0.330409143560E+03 0.60628E-02 -0.10568E-02 5645 0.208E-01 0.199E-01 RMM: 4 -0.330408820710E+03 0.32285E-03 -0.71676E-04 4765 0.581E-02 0.107E-01 RMM: 5 -0.330408737069E+03 0.83640E-04 -0.11338E-04 3873 0.275E-02 0.839E-02 RMM: 6 -0.330408716678E+03 0.20391E-04 -0.56430E-05 3271 0.206E-02 0.826E-02 RMM: 7 -0.330408763231E+03 -0.46553E-04 -0.16408E-04 3892 0.320E-02 0.130E-01 RMM: 8 -0.330408652445E+03 0.11079E-03 -0.89409E-05 3872 0.239E-02 0.265E-02 RMM: 9 -0.330408652346E+03 0.98687E-07 -0.13340E-05 2503 0.110E-02 7015 T= 6120. E= 0.66937831E+03 F= 0.61875283E+03 E0= 0.64699548E+03 EK= 0.50625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330221535247E+03 0.18712E+00 -0.17113E-01 8244 0.234E+01 0.220E-01 RMM: 2 -0.330233703406E+03 -0.12168E-01 -0.10058E-01 4971 0.738E-01 0.767E-01 RMM: 3 -0.330229551378E+03 0.41520E-02 -0.10793E-02 5850 0.204E-01 0.147E-01 RMM: 4 -0.330229534754E+03 0.16624E-04 -0.79477E-04 4710 0.645E-02 0.203E-01 RMM: 5 -0.330229279530E+03 0.25522E-03 -0.17038E-04 3873 0.335E-02 0.851E-02 RMM: 6 -0.330229235902E+03 0.43628E-04 -0.41884E-05 3094 0.195E-02 0.280E-02 RMM: 7 -0.330229245060E+03 -0.91581E-05 -0.18482E-05 2524 0.131E-02 7016 T= 6512. E= 0.67281341E+03 F= 0.61894113E+03 E0= 0.64716475E+03 EK= 0.53872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329965085451E+03 0.26415E+00 -0.17953E-01 8388 0.239E+01 0.161E-01 RMM: 2 -0.329975676148E+03 -0.10591E-01 -0.92466E-02 5284 0.688E-01 0.612E-01 RMM: 3 -0.329972734673E+03 0.29415E-02 -0.81862E-03 6002 0.173E-01 0.146E-01 RMM: 4 -0.329972521678E+03 0.21299E-03 -0.44153E-04 4373 0.479E-02 0.101E-01 RMM: 5 -0.329972445517E+03 0.76162E-04 -0.72955E-05 3483 0.236E-02 0.640E-02 RMM: 6 -0.329972438847E+03 0.66695E-05 -0.31284E-05 2753 0.167E-02 7017 T= 6879. E= 0.67612069E+03 F= 0.61921010E+03 E0= 0.64740838E+03 EK= 0.56911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329613700780E+03 0.35874E+00 -0.19303E-01 8208 0.243E+01 0.264E-01 RMM: 2 -0.329635460153E+03 -0.21759E-01 -0.10738E-01 5076 0.750E-01 0.135E+00 RMM: 3 -0.329622375388E+03 0.13085E-01 -0.12706E-02 5403 0.256E-01 0.256E-01 RMM: 4 -0.329621953146E+03 0.42224E-03 -0.12681E-03 4769 0.729E-02 0.104E-01 RMM: 5 -0.329621914381E+03 0.38765E-04 -0.16064E-04 3899 0.324E-02 0.974E-02 RMM: 6 -0.329621858116E+03 0.56265E-04 -0.41474E-05 3052 0.191E-02 0.522E-02 RMM: 7 -0.329621878876E+03 -0.20760E-04 -0.43390E-05 3074 0.196E-02 0.791E-02 RMM: 8 -0.329621842566E+03 0.36310E-04 -0.41335E-05 2819 0.175E-02 0.420E-02 RMM: 9 -0.329621834519E+03 0.80472E-05 -0.18693E-05 2507 0.131E-02 7018 T= 7072. E= 0.67808422E+03 F= 0.61957605E+03 E0= 0.64774546E+03 EK= 0.58508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329172255387E+03 0.44959E+00 -0.19932E-01 8220 0.243E+01 0.299E-01 RMM: 2 -0.329198913810E+03 -0.26658E-01 -0.11710E-01 5065 0.787E-01 0.157E+00 RMM: 3 -0.329181222995E+03 0.17691E-01 -0.13637E-02 5416 0.270E-01 0.264E-01 RMM: 4 -0.329180750919E+03 0.47208E-03 -0.15541E-03 4837 0.850E-02 0.126E-01 RMM: 5 -0.329180729324E+03 0.21596E-04 -0.20440E-04 3922 0.342E-02 0.126E-01 RMM: 6 -0.329180620718E+03 0.10861E-03 -0.54793E-05 3263 0.223E-02 0.331E-02 RMM: 7 -0.329180624025E+03 -0.33074E-05 -0.22474E-05 2556 0.141E-02 7019 T= 7003. E= 0.67797013E+03 F= 0.62003595E+03 E0= 0.64817204E+03 EK= 0.57934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328667060252E+03 0.51356E+00 -0.20009E-01 8676 0.239E+01 0.181E-01 RMM: 2 -0.328683393107E+03 -0.16333E-01 -0.11384E-01 5353 0.718E-01 0.929E-01 RMM: 3 -0.328676091444E+03 0.73017E-02 -0.95969E-03 5459 0.212E-01 0.155E-01 RMM: 4 -0.328675961776E+03 0.12967E-03 -0.79423E-04 4948 0.567E-02 0.105E-01 RMM: 5 -0.328675902040E+03 0.59736E-04 -0.91106E-05 3639 0.253E-02 0.785E-02 RMM: 6 -0.328675872645E+03 0.29395E-04 -0.30233E-05 2747 0.168E-02 0.524E-02 RMM: 7 -0.328675897656E+03 -0.25011E-04 -0.72929E-05 3691 0.225E-02 0.863E-02 RMM: 8 -0.328675850035E+03 0.47620E-04 -0.36743E-05 2977 0.177E-02 0.213E-02 RMM: 9 -0.328675851775E+03 -0.17397E-05 -0.11094E-05 2465 0.976E-03 7020 T= 6704. E= 0.67602709E+03 F= 0.62056311E+03 E0= 0.64866381E+03 EK= 0.55464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328142208924E+03 0.53364E+00 -0.19596E-01 8868 0.232E+01 0.186E-01 RMM: 2 -0.328158204268E+03 -0.15995E-01 -0.13196E-01 5005 0.780E-01 0.781E-01 RMM: 3 -0.328152928839E+03 0.52754E-02 -0.11940E-02 5960 0.216E-01 0.125E-01 RMM: 4 -0.328152831551E+03 0.97288E-04 -0.68841E-04 4688 0.605E-02 0.157E-01 RMM: 5 -0.328152667890E+03 0.16366E-03 -0.12420E-04 3805 0.302E-02 0.670E-02 RMM: 6 -0.328152643458E+03 0.24432E-04 -0.31835E-05 2843 0.170E-02 0.391E-02 RMM: 7 -0.328152651147E+03 -0.76886E-05 -0.25875E-05 2564 0.158E-02 7021 T= 6308. E= 0.67329853E+03 F= 0.62111281E+03 E0= 0.64917620E+03 EK= 0.52186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327645975240E+03 0.50667E+00 -0.19872E-01 8760 0.225E+01 0.162E-01 RMM: 2 -0.327662032923E+03 -0.16058E-01 -0.14267E-01 5234 0.808E-01 0.646E-01 RMM: 3 -0.327657984995E+03 0.40479E-02 -0.12503E-02 6074 0.211E-01 0.139E-01 RMM: 4 -0.327657725933E+03 0.25906E-03 -0.58481E-04 4646 0.552E-02 0.106E-01 RMM: 5 -0.327657654397E+03 0.71536E-04 -0.85758E-05 3593 0.263E-02 0.625E-02 RMM: 6 -0.327657654432E+03 -0.34790E-07 -0.31646E-05 2721 0.169E-02 7022 T= 5963. E= 0.67096848E+03 F= 0.62163872E+03 E0= 0.64966393E+03 EK= 0.49330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327216180140E+03 0.44147E+00 -0.19657E-01 8964 0.221E+01 0.270E-01 RMM: 2 -0.327241998972E+03 -0.25819E-01 -0.14386E-01 5201 0.791E-01 0.138E+00 RMM: 3 -0.327227655484E+03 0.14343E-01 -0.14501E-02 5443 0.262E-01 0.257E-01 RMM: 4 -0.327227188200E+03 0.46728E-03 -0.13918E-03 4890 0.736E-02 0.990E-02 RMM: 5 -0.327227143585E+03 0.44615E-04 -0.16128E-04 3974 0.316E-02 0.886E-02 RMM: 6 -0.327227103084E+03 0.40501E-04 -0.42242E-05 3060 0.190E-02 0.544E-02 RMM: 7 -0.327227135601E+03 -0.32518E-04 -0.48746E-05 3176 0.203E-02 0.874E-02 RMM: 8 -0.327227092208E+03 0.43394E-04 -0.49832E-05 3036 0.188E-02 0.363E-02 RMM: 9 -0.327227086783E+03 0.54245E-05 -0.15744E-05 2493 0.118E-02 7023 T= 5774. E= 0.66987315E+03 F= 0.62210462E+03 E0= 0.65009062E+03 EK= 0.47769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326864321935E+03 0.36277E+00 -0.20243E-01 9084 0.220E+01 0.290E-01 RMM: 2 -0.326892969749E+03 -0.28648E-01 -0.15203E-01 5127 0.808E-01 0.149E+00 RMM: 3 -0.326876250051E+03 0.16720E-01 -0.14913E-02 5466 0.266E-01 0.281E-01 RMM: 4 -0.326875642750E+03 0.60730E-03 -0.15972E-03 4792 0.837E-02 0.112E-01 RMM: 5 -0.326875641620E+03 0.11305E-05 -0.21608E-04 3929 0.356E-02 0.121E-01 RMM: 6 -0.326875541158E+03 0.10046E-03 -0.54449E-05 3251 0.217E-02 0.333E-02 RMM: 7 -0.326875549075E+03 -0.79167E-05 -0.25126E-05 2601 0.146E-02 7024 T= 5790. E= 0.67039669E+03 F= 0.62249551E+03 E0= 0.65044244E+03 EK= 0.47901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326573527671E+03 0.30201E+00 -0.22134E-01 8904 0.223E+01 0.195E-01 RMM: 2 -0.326595348049E+03 -0.21820E-01 -0.16899E-01 5530 0.812E-01 0.943E-01 RMM: 3 -0.326587269509E+03 0.80785E-02 -0.12245E-02 5665 0.218E-01 0.165E-01 RMM: 4 -0.326587041319E+03 0.22819E-03 -0.91895E-04 4827 0.627E-02 0.120E-01 RMM: 5 -0.326586953801E+03 0.87519E-04 -0.12477E-04 3924 0.264E-02 0.748E-02 RMM: 6 -0.326586931374E+03 0.22426E-04 -0.32814E-05 2913 0.170E-02 0.569E-02 RMM: 7 -0.326586959540E+03 -0.28165E-04 -0.67156E-05 3504 0.218E-02 0.891E-02 RMM: 8 -0.326586910900E+03 0.48640E-04 -0.46406E-05 3116 0.195E-02 0.267E-02 RMM: 9 -0.326586910844E+03 0.55919E-07 -0.12226E-05 2478 0.100E-02 7025 T= 6007. E= 0.67252283E+03 F= 0.62282687E+03 E0= 0.65073552E+03 EK= 0.49696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326301773156E+03 0.28514E+00 -0.24946E-01 9072 0.230E+01 0.204E-01 RMM: 2 -0.326323151830E+03 -0.21379E-01 -0.18380E-01 5382 0.849E-01 0.799E-01 RMM: 3 -0.326316749140E+03 0.64027E-02 -0.13367E-02 5907 0.220E-01 0.157E-01 RMM: 4 -0.326316580477E+03 0.16866E-03 -0.89196E-04 4741 0.669E-02 0.171E-01 RMM: 5 -0.326316374001E+03 0.20648E-03 -0.16708E-04 3881 0.314E-02 0.735E-02 RMM: 6 -0.326316342633E+03 0.31368E-04 -0.33697E-05 2921 0.173E-02 0.427E-02 RMM: 7 -0.326316342026E+03 0.60748E-06 -0.27502E-05 2572 0.156E-02 7026 T= 6368. E= 0.67582220E+03 F= 0.62314282E+03 E0= 0.65101607E+03 EK= 0.52679E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325981135149E+03 0.33521E+00 -0.29066E-01 9012 0.238E+01 0.182E-01 RMM: 2 -0.326003472789E+03 -0.22338E-01 -0.21339E-01 5487 0.921E-01 0.580E-01 RMM: 3 -0.325999114802E+03 0.43580E-02 -0.15089E-02 6166 0.221E-01 0.133E-01 RMM: 4 -0.325998854569E+03 0.26023E-03 -0.73076E-04 4666 0.607E-02 0.156E-01 RMM: 5 -0.325998683947E+03 0.17062E-03 -0.14122E-04 3891 0.316E-02 0.632E-02 RMM: 6 -0.325998683521E+03 0.42527E-06 -0.44037E-05 3088 0.188E-02 7027 T= 6756. E= 0.67940104E+03 F= 0.62350809E+03 E0= 0.65135205E+03 EK= 0.55893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325545460415E+03 0.45322E+00 -0.31867E-01 9000 0.245E+01 0.270E-01 RMM: 2 -0.325579380007E+03 -0.33920E-01 -0.23261E-01 5462 0.954E-01 0.134E+00 RMM: 3 -0.325564466827E+03 0.14913E-01 -0.17306E-02 5534 0.269E-01 0.220E-01 RMM: 4 -0.325564154194E+03 0.31263E-03 -0.15640E-03 4866 0.830E-02 0.170E-01 RMM: 5 -0.325563953867E+03 0.20033E-03 -0.23055E-04 3961 0.354E-02 0.772E-02 RMM: 6 -0.325563924736E+03 0.29131E-04 -0.41373E-05 3038 0.186E-02 0.551E-02 RMM: 7 -0.325563936242E+03 -0.11506E-04 -0.57575E-05 3377 0.213E-02 7028 T= 7019. E= 0.68205578E+03 F= 0.62399272E+03 E0= 0.65181595E+03 EK= 0.58063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324946933198E+03 0.61699E+00 -0.32830E-01 8988 0.248E+01 0.294E-01 RMM: 2 -0.324984512918E+03 -0.37580E-01 -0.24396E-01 5370 0.985E-01 0.147E+00 RMM: 3 -0.324966591102E+03 0.17922E-01 -0.18742E-02 5528 0.285E-01 0.255E-01 RMM: 4 -0.324966117668E+03 0.47343E-03 -0.18092E-03 4944 0.907E-02 0.154E-01 RMM: 5 -0.324966011392E+03 0.10628E-03 -0.26874E-04 3953 0.378E-02 0.119E-01 RMM: 6 -0.324965918861E+03 0.92531E-04 -0.69433E-05 3463 0.233E-02 0.479E-02 RMM: 7 -0.324965935410E+03 -0.16550E-04 -0.42001E-05 3016 0.179E-02 7029 T= 7033. E= 0.68282545E+03 F= 0.62464345E+03 E0= 0.65245795E+03 EK= 0.58182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324190573973E+03 0.77534E+00 -0.33943E-01 8964 0.247E+01 0.246E-01 RMM: 2 -0.324221588066E+03 -0.31014E-01 -0.24853E-01 5354 0.102E+00 0.107E+00 RMM: 3 -0.324211706098E+03 0.98820E-02 -0.19671E-02 5793 0.269E-01 0.198E-01 RMM: 4 -0.324211296595E+03 0.40950E-03 -0.12519E-03 4839 0.767E-02 0.156E-01 RMM: 5 -0.324211141874E+03 0.15472E-03 -0.19706E-04 3936 0.336E-02 0.920E-02 RMM: 6 -0.324211098648E+03 0.43226E-04 -0.57519E-05 3299 0.213E-02 0.604E-02 RMM: 7 -0.324211130940E+03 -0.32292E-04 -0.86048E-05 3813 0.240E-02 0.999E-02 RMM: 8 -0.324211065292E+03 0.65648E-04 -0.53205E-05 3218 0.203E-02 0.273E-02 RMM: 9 -0.324211066894E+03 -0.16022E-05 -0.15358E-05 2501 0.117E-02 7030 T= 6790. E= 0.68162914E+03 F= 0.62545480E+03 E0= 0.65327322E+03 EK= 0.56174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323344133134E+03 0.86693E+00 -0.32212E-01 8988 0.243E+01 0.228E-01 RMM: 2 -0.323370892814E+03 -0.26760E-01 -0.22354E-01 5478 0.953E-01 0.923E-01 RMM: 3 -0.323362704542E+03 0.81883E-02 -0.16123E-02 5842 0.241E-01 0.161E-01 RMM: 4 -0.323362508045E+03 0.19650E-03 -0.10458E-03 4786 0.722E-02 0.192E-01 RMM: 5 -0.323362252335E+03 0.25571E-03 -0.20159E-04 3897 0.359E-02 0.791E-02 RMM: 6 -0.323362224897E+03 0.27438E-04 -0.58443E-05 3324 0.214E-02 0.620E-02 RMM: 7 -0.323362237977E+03 -0.13080E-04 -0.76842E-05 3687 0.226E-02 7031 T= 6402. E= 0.67932583E+03 F= 0.62636482E+03 E0= 0.65420083E+03 EK= 0.52961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322505760209E+03 0.85646E+00 -0.28005E-01 9048 0.238E+01 0.222E-01 RMM: 2 -0.322528494214E+03 -0.22734E-01 -0.18633E-01 5456 0.877E-01 0.896E-01 RMM: 3 -0.322521007852E+03 0.74864E-02 -0.13747E-02 5992 0.223E-01 0.194E-01 RMM: 4 -0.322520635575E+03 0.37228E-03 -0.83529E-04 4739 0.644E-02 0.133E-01 RMM: 5 -0.322520507646E+03 0.12793E-03 -0.14285E-04 3888 0.306E-02 0.835E-02 RMM: 6 -0.322520503715E+03 0.39314E-05 -0.61569E-05 3388 0.219E-02 7032 T= 6026. E= 0.67712806E+03 F= 0.62727305E+03 E0= 0.65513992E+03 EK= 0.49855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321795306734E+03 0.72520E+00 -0.25435E-01 9024 0.233E+01 0.349E-01 RMM: 2 -0.321831857922E+03 -0.36551E-01 -0.17457E-01 5192 0.890E-01 0.175E+00 RMM: 3 -0.321809147969E+03 0.22710E-01 -0.19426E-02 5403 0.314E-01 0.324E-01 RMM: 4 -0.321808418100E+03 0.72987E-03 -0.20406E-03 5063 0.873E-02 0.132E-01 RMM: 5 -0.321808318036E+03 0.10006E-03 -0.23054E-04 3904 0.387E-02 0.116E-01 RMM: 6 -0.321808247930E+03 0.70106E-04 -0.84477E-05 3612 0.257E-02 0.808E-02 RMM: 7 -0.321808310312E+03 -0.62382E-04 -0.11451E-04 3873 0.287E-02 0.128E-01 RMM: 8 -0.321808198922E+03 0.11139E-03 -0.10509E-04 3829 0.245E-02 0.488E-02 RMM: 9 -0.321808187443E+03 0.11479E-04 -0.21444E-05 2596 0.136E-02 7033 T= 5795. E= 0.67599606E+03 F= 0.62805712E+03 E0= 0.65596607E+03 EK= 0.47939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321345625726E+03 0.46257E+00 -0.23230E-01 9048 0.231E+01 0.395E-01 RMM: 2 -0.321387513448E+03 -0.41888E-01 -0.15951E-01 5143 0.896E-01 0.204E+00 RMM: 3 -0.321357967071E+03 0.29546E-01 -0.20392E-02 5379 0.332E-01 0.419E-01 RMM: 4 -0.321356718126E+03 0.12489E-02 -0.25991E-03 5129 0.109E-01 0.137E-01 RMM: 5 -0.321356688459E+03 0.29667E-04 -0.33569E-04 3927 0.430E-02 0.140E-01 RMM: 6 -0.321356558062E+03 0.13040E-03 -0.91386E-05 3722 0.268E-02 0.553E-02 RMM: 7 -0.321356570217E+03 -0.12155E-04 -0.41937E-05 3066 0.178E-02 7034 T= 5782. E= 0.67642085E+03 F= 0.62858498E+03 E0= 0.65654791E+03 EK= 0.47836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321273037172E+03 0.83521E-01 -0.20616E-01 8916 0.232E+01 0.324E-01 RMM: 2 -0.321303851806E+03 -0.30815E-01 -0.13039E-01 5187 0.821E-01 0.169E+00 RMM: 3 -0.321283169740E+03 0.20682E-01 -0.15397E-02 5394 0.280E-01 0.300E-01 RMM: 4 -0.321282533704E+03 0.63604E-03 -0.16761E-03 4827 0.831E-02 0.125E-01 RMM: 5 -0.321282510197E+03 0.23508E-04 -0.23094E-04 3902 0.377E-02 0.137E-01 RMM: 6 -0.321282397856E+03 0.11234E-03 -0.88193E-05 3660 0.260E-02 0.749E-02 RMM: 7 -0.321282489941E+03 -0.92086E-04 -0.13675E-04 3882 0.306E-02 0.141E-01 RMM: 8 -0.321282368588E+03 0.12135E-03 -0.95749E-05 3728 0.269E-02 0.531E-02 RMM: 9 -0.321282352432E+03 0.16156E-04 -0.18377E-05 2563 0.125E-02 7035 T= 6008. E= 0.67844226E+03 F= 0.62873871E+03 E0= 0.65676492E+03 EK= 0.49704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321637529992E+03 -0.35516E+00 -0.19698E-01 8328 0.238E+01 0.267E-01 RMM: 2 -0.321657695207E+03 -0.20165E-01 -0.12546E-01 4900 0.830E-01 0.117E+00 RMM: 3 -0.321647806863E+03 0.98883E-02 -0.14808E-02 5552 0.255E-01 0.228E-01 RMM: 4 -0.321647519290E+03 0.28757E-03 -0.13687E-03 4789 0.812E-02 0.169E-01 RMM: 5 -0.321647382525E+03 0.13676E-03 -0.22594E-04 3909 0.361E-02 0.121E-01 RMM: 6 -0.321647288103E+03 0.94422E-04 -0.69572E-05 3469 0.244E-02 0.428E-02 RMM: 7 -0.321647291001E+03 -0.28983E-05 -0.23558E-05 2571 0.146E-02 7036 T= 6426. E= 0.68161733E+03 F= 0.62845533E+03 E0= 0.65655296E+03 EK= 0.53162E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322393635148E+03 -0.74635E+00 -0.21018E-01 8100 0.246E+01 0.271E-01 RMM: 2 -0.322413130016E+03 -0.19495E-01 -0.12287E-01 4942 0.835E-01 0.118E+00 RMM: 3 -0.322403598310E+03 0.95317E-02 -0.14052E-02 5609 0.246E-01 0.240E-01 RMM: 4 -0.322403205753E+03 0.39256E-03 -0.12737E-03 4755 0.800E-02 0.163E-01 RMM: 5 -0.322403076042E+03 0.12971E-03 -0.22542E-04 3890 0.377E-02 0.114E-01 RMM: 6 -0.322402999460E+03 0.76583E-04 -0.64835E-05 3405 0.231E-02 0.549E-02 RMM: 7 -0.322403032925E+03 -0.33466E-04 -0.70157E-05 3575 0.225E-02 0.940E-02 RMM: 8 -0.322402975515E+03 0.57410E-04 -0.55492E-05 3281 0.214E-02 0.355E-02 RMM: 9 -0.322402972434E+03 0.30813E-05 -0.15458E-05 2507 0.118E-02 7037 T= 6905. E= 0.68490317E+03 F= 0.62778263E+03 E0= 0.65595631E+03 EK= 0.57121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323364349322E+03 -0.96137E+00 -0.24802E-01 8640 0.253E+01 0.250E-01 RMM: 2 -0.323382046550E+03 -0.17697E-01 -0.14980E-01 5055 0.891E-01 0.854E-01 RMM: 3 -0.323376818854E+03 0.52277E-02 -0.15279E-02 5847 0.238E-01 0.193E-01 RMM: 4 -0.323376639478E+03 0.17938E-03 -0.11139E-03 4759 0.777E-02 0.232E-01 RMM: 5 -0.323376265073E+03 0.37440E-03 -0.26477E-04 3928 0.430E-02 0.850E-02 RMM: 6 -0.323376222839E+03 0.42234E-04 -0.51073E-05 3221 0.207E-02 0.511E-02 RMM: 7 -0.323376225931E+03 -0.30919E-05 -0.54683E-05 3222 0.203E-02 7038 T= 7238. E= 0.68677343E+03 F= 0.62689420E+03 E0= 0.65514206E+03 EK= 0.59879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324315037936E+03 -0.93882E+00 -0.29394E-01 9024 0.256E+01 0.274E-01 RMM: 2 -0.324335663445E+03 -0.20626E-01 -0.17576E-01 5260 0.937E-01 0.897E-01 RMM: 3 -0.324329541389E+03 0.61221E-02 -0.16312E-02 5809 0.251E-01 0.218E-01 RMM: 4 -0.324329305581E+03 0.23581E-03 -0.11739E-03 4739 0.759E-02 0.230E-01 RMM: 5 -0.324328944336E+03 0.36125E-03 -0.25055E-04 3934 0.409E-02 0.903E-02 RMM: 6 -0.324328928493E+03 0.15843E-04 -0.72644E-05 3475 0.238E-02 7039 T= 7246. E= 0.68597662E+03 F= 0.62602953E+03 E0= 0.65434370E+03 EK= 0.59947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325052019341E+03 -0.72308E+00 -0.32620E-01 8988 0.253E+01 0.436E-01 RMM: 2 -0.325106986928E+03 -0.54968E-01 -0.19802E-01 5261 0.975E-01 0.239E+00 RMM: 3 -0.325067497751E+03 0.39489E-01 -0.23480E-02 5359 0.360E-01 0.441E-01 RMM: 4 -0.325066277540E+03 0.12202E-02 -0.30592E-03 5321 0.115E-01 0.184E-01 RMM: 5 -0.325066190710E+03 0.86830E-04 -0.41973E-04 3967 0.471E-02 0.172E-01 RMM: 6 -0.325066011189E+03 0.17952E-03 -0.12327E-04 3841 0.302E-02 0.849E-02 RMM: 7 -0.325066055075E+03 -0.43886E-04 -0.11078E-04 3855 0.276E-02 0.120E-01 RMM: 8 -0.325065997560E+03 0.57515E-04 -0.14427E-04 3894 0.283E-02 0.851E-02 RMM: 9 -0.325065953080E+03 0.44481E-04 -0.38085E-05 3045 0.179E-02 0.258E-02 RMM: 10 -0.325065960404E+03 -0.73244E-05 -0.12593E-05 2493 0.109E-02 7040 T= 6907. E= 0.68252449E+03 F= 0.62538576E+03 E0= 0.65375450E+03 EK= 0.57139E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325486748326E+03 -0.42080E+00 -0.34773E-01 8892 0.245E+01 0.391E-01 RMM: 2 -0.325532796312E+03 -0.46048E-01 -0.21857E-01 5086 0.100E+00 0.201E+00 RMM: 3 -0.325504131389E+03 0.28665E-01 -0.22465E-02 5398 0.340E-01 0.406E-01 RMM: 4 -0.325503079810E+03 0.10516E-02 -0.29006E-03 5269 0.117E-01 0.175E-01 RMM: 5 -0.325503045823E+03 0.33987E-04 -0.40387E-04 4090 0.426E-02 0.186E-01 RMM: 6 -0.325502817718E+03 0.22811E-03 -0.11860E-04 3850 0.304E-02 0.570E-02 RMM: 7 -0.325502853613E+03 -0.35895E-04 -0.79889E-05 3570 0.230E-02 0.999E-02 RMM: 8 -0.325502805729E+03 0.47883E-04 -0.77658E-05 3680 0.228E-02 0.592E-02 RMM: 9 -0.325502784720E+03 0.21010E-04 -0.21750E-05 2581 0.135E-02 0.213E-02 RMM: 10 -0.325502789905E+03 -0.51854E-05 -0.95838E-06 2459 0.982E-03 7041 T= 6373. E= 0.67776940E+03 F= 0.62504940E+03 E0= 0.65345827E+03 EK= 0.52720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325630868876E+03 -0.12808E+00 -0.32971E-01 8952 0.235E+01 0.223E-01 RMM: 2 -0.325652987121E+03 -0.22118E-01 -0.18820E-01 5502 0.869E-01 0.845E-01 RMM: 3 -0.325646211002E+03 0.67761E-02 -0.12720E-02 5693 0.227E-01 0.196E-01 RMM: 4 -0.325645974802E+03 0.23620E-03 -0.95029E-04 4738 0.685E-02 0.165E-01 RMM: 5 -0.325645803933E+03 0.17087E-03 -0.18743E-04 3891 0.343E-02 0.103E-01 RMM: 6 -0.325645777061E+03 0.26871E-04 -0.96164E-05 3678 0.272E-02 0.880E-02 RMM: 7 -0.325645834362E+03 -0.57301E-04 -0.11048E-04 3880 0.272E-02 0.131E-01 RMM: 8 -0.325645720424E+03 0.11394E-03 -0.59037E-05 3370 0.215E-02 0.326E-02 RMM: 9 -0.325645719316E+03 0.11079E-05 -0.15624E-05 2503 0.115E-02 7042 T= 5854. E= 0.67344175E+03 F= 0.62501525E+03 E0= 0.65345187E+03 EK= 0.48426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325525052501E+03 0.12067E+00 -0.32735E-01 8988 0.227E+01 0.206E-01 RMM: 2 -0.325545914544E+03 -0.20862E-01 -0.19040E-01 5618 0.854E-01 0.703E-01 RMM: 3 -0.325540526568E+03 0.53880E-02 -0.12589E-02 5900 0.210E-01 0.159E-01 RMM: 4 -0.325540344736E+03 0.18183E-03 -0.80227E-04 4702 0.653E-02 0.181E-01 RMM: 5 -0.325540143046E+03 0.20169E-03 -0.19171E-04 3894 0.361E-02 0.974E-02 RMM: 6 -0.325540121877E+03 0.21169E-04 -0.92825E-05 3679 0.266E-02 0.848E-02 RMM: 7 -0.325540165225E+03 -0.43347E-04 -0.94424E-05 3806 0.255E-02 0.120E-01 RMM: 8 -0.325540071671E+03 0.93554E-04 -0.51405E-05 3270 0.209E-02 0.267E-02 RMM: 9 -0.325540075305E+03 -0.36339E-05 -0.13775E-05 2501 0.106E-02 7043 T= 5505. E= 0.67078086E+03 F= 0.62523765E+03 E0= 0.65369219E+03 EK= 0.45543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325206833772E+03 0.33324E+00 -0.33414E-01 9024 0.223E+01 0.217E-01 RMM: 2 -0.325229223919E+03 -0.22390E-01 -0.19238E-01 5642 0.852E-01 0.825E-01 RMM: 3 -0.325222489514E+03 0.67344E-02 -0.12470E-02 5873 0.212E-01 0.155E-01 RMM: 4 -0.325222308364E+03 0.18115E-03 -0.87169E-04 4703 0.675E-02 0.174E-01 RMM: 5 -0.325222113465E+03 0.19490E-03 -0.21452E-04 3889 0.380E-02 0.898E-02 RMM: 6 -0.325222118678E+03 -0.52130E-05 -0.10147E-04 3763 0.271E-02 7044 T= 5404. E= 0.67038510E+03 F= 0.62567839E+03 E0= 0.65414459E+03 EK= 0.44707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324689267961E+03 0.53285E+00 -0.33862E-01 8928 0.224E+01 0.367E-01 RMM: 2 -0.324728682465E+03 -0.39415E-01 -0.19486E-01 5485 0.874E-01 0.182E+00 RMM: 3 -0.324704324221E+03 0.24358E-01 -0.18586E-02 5393 0.306E-01 0.323E-01 RMM: 4 -0.324703663297E+03 0.66092E-03 -0.20745E-03 4947 0.909E-02 0.165E-01 RMM: 5 -0.324703645450E+03 0.17847E-04 -0.37648E-04 4040 0.476E-02 0.185E-01 RMM: 6 -0.324703446012E+03 0.19944E-03 -0.20127E-04 3887 0.389E-02 0.873E-02 RMM: 7 -0.324703535700E+03 -0.89688E-04 -0.14184E-04 3883 0.314E-02 0.142E-01 RMM: 8 -0.324703424856E+03 0.11084E-03 -0.90417E-05 3676 0.266E-02 0.607E-02 RMM: 9 -0.324703405008E+03 0.19848E-04 -0.20329E-05 2614 0.137E-02 7045 T= 5571. E= 0.67241030E+03 F= 0.62632288E+03 E0= 0.65479529E+03 EK= 0.46087E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323962752677E+03 0.74067E+00 -0.35851E-01 8952 0.229E+01 0.405E-01 RMM: 2 -0.324014103524E+03 -0.51351E-01 -0.22515E-01 5227 0.971E-01 0.217E+00 RMM: 3 -0.323980441000E+03 0.33663E-01 -0.22817E-02 5408 0.338E-01 0.397E-01 RMM: 4 -0.323979352320E+03 0.10887E-02 -0.28825E-03 5179 0.113E-01 0.170E-01 RMM: 5 -0.323979418774E+03 -0.66455E-04 -0.46060E-04 4015 0.495E-02 0.205E-01 RMM: 6 -0.323979137022E+03 0.28175E-03 -0.16597E-04 3877 0.352E-02 0.589E-02 RMM: 7 -0.323979163630E+03 -0.26607E-04 -0.73927E-05 3506 0.221E-02 0.904E-02 RMM: 8 -0.323979126822E+03 0.36808E-04 -0.66967E-05 3555 0.232E-02 0.503E-02 RMM: 9 -0.323979112352E+03 0.14469E-04 -0.15986E-05 2535 0.120E-02 7046 T= 5982. E= 0.67665720E+03 F= 0.62717278E+03 E0= 0.65564703E+03 EK= 0.49484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323034363794E+03 0.94476E+00 -0.36936E-01 8940 0.238E+01 0.307E-01 RMM: 2 -0.323067588299E+03 -0.33225E-01 -0.23294E-01 5440 0.980E-01 0.132E+00 RMM: 3 -0.323053472237E+03 0.14116E-01 -0.18925E-02 5567 0.278E-01 0.298E-01 RMM: 4 -0.323052857097E+03 0.61514E-03 -0.16765E-03 4905 0.875E-02 0.161E-01 RMM: 5 -0.323052761620E+03 0.95477E-04 -0.28504E-04 3919 0.385E-02 0.143E-01 RMM: 6 -0.323052649767E+03 0.11185E-03 -0.11563E-04 3804 0.296E-02 0.734E-02 RMM: 7 -0.323052726507E+03 -0.76740E-04 -0.10670E-04 3834 0.266E-02 0.130E-01 RMM: 8 -0.323052626269E+03 0.10024E-03 -0.75208E-05 3597 0.244E-02 0.495E-02 RMM: 9 -0.323052612437E+03 0.13832E-04 -0.16369E-05 2524 0.121E-02 7047 T= 6549. E= 0.68239997E+03 F= 0.62822249E+03 E0= 0.65669416E+03 EK= 0.54177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321929391071E+03 0.11232E+01 -0.35768E-01 8928 0.246E+01 0.350E-01 RMM: 2 -0.321966256926E+03 -0.36866E-01 -0.24488E-01 5344 0.101E+00 0.148E+00 RMM: 3 -0.321948876230E+03 0.17381E-01 -0.21637E-02 5660 0.298E-01 0.274E-01 RMM: 4 -0.321948373138E+03 0.50309E-03 -0.19234E-03 4936 0.925E-02 0.202E-01 RMM: 5 -0.321948224683E+03 0.14845E-03 -0.32890E-04 3920 0.427E-02 0.159E-01 RMM: 6 -0.321948070513E+03 0.15417E-03 -0.12351E-04 3824 0.309E-02 0.687E-02 RMM: 7 -0.321948120064E+03 -0.49552E-04 -0.82389E-05 3625 0.241E-02 0.111E-01 RMM: 8 -0.321948050393E+03 0.69672E-04 -0.86680E-05 3842 0.239E-02 0.438E-02 RMM: 9 -0.321948040436E+03 0.99570E-05 -0.16361E-05 2535 0.119E-02 7048 T= 7098. E= 0.68816351E+03 F= 0.62944737E+03 E0= 0.65791191E+03 EK= 0.58716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320668605986E+03 0.12794E+01 -0.34813E-01 8892 0.252E+01 0.280E-01 RMM: 2 -0.320700506141E+03 -0.31900E-01 -0.26266E-01 5382 0.103E+00 0.105E+00 RMM: 3 -0.320690051592E+03 0.10455E-01 -0.19859E-02 5796 0.268E-01 0.251E-01 RMM: 4 -0.320689627636E+03 0.42396E-03 -0.15661E-03 4910 0.895E-02 0.208E-01 RMM: 5 -0.320689365664E+03 0.26197E-03 -0.28915E-04 3936 0.398E-02 0.115E-01 RMM: 6 -0.320689304365E+03 0.61300E-04 -0.87379E-05 3607 0.264E-02 0.688E-02 RMM: 7 -0.320689378676E+03 -0.74311E-04 -0.97586E-05 3843 0.252E-02 0.126E-01 RMM: 8 -0.320689282717E+03 0.95959E-04 -0.75108E-05 3635 0.234E-02 0.393E-02 RMM: 9 -0.320689276560E+03 0.61568E-05 -0.15590E-05 2516 0.118E-02 7049 T= 7395. E= 0.69200023E+03 F= 0.63082487E+03 E0= 0.65927817E+03 EK= 0.61175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319245888239E+03 0.14434E+01 -0.33361E-01 8892 0.253E+01 0.295E-01 RMM: 2 -0.319279653453E+03 -0.33765E-01 -0.26618E-01 5506 0.103E+00 0.117E+00 RMM: 3 -0.319267682340E+03 0.11971E-01 -0.19246E-02 5755 0.270E-01 0.221E-01 RMM: 4 -0.319267516303E+03 0.16604E-03 -0.15878E-03 4933 0.890E-02 0.252E-01 RMM: 5 -0.319267163947E+03 0.35236E-03 -0.30808E-04 3907 0.423E-02 0.130E-01 RMM: 6 -0.319267073390E+03 0.90557E-04 -0.95081E-05 3666 0.272E-02 0.680E-02 RMM: 7 -0.319267143128E+03 -0.69738E-04 -0.10744E-04 3883 0.265E-02 0.120E-01 RMM: 8 -0.319267055247E+03 0.87881E-04 -0.83482E-05 3722 0.245E-02 0.308E-02 RMM: 9 -0.319267055593E+03 -0.34545E-06 -0.14892E-05 2520 0.115E-02 7050 T= 7282. E= 0.69260927E+03 F= 0.63236696E+03 E0= 0.66080602E+03 EK= 0.60242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317638757108E+03 0.16283E+01 -0.34524E-01 9060 0.249E+01 0.272E-01 RMM: 2 -0.317669420447E+03 -0.30663E-01 -0.27399E-01 5516 0.109E+00 0.866E-01 RMM: 3 -0.317662027918E+03 0.73925E-02 -0.19026E-02 5716 0.270E-01 0.214E-01 RMM: 4 -0.317661937048E+03 0.90870E-04 -0.15075E-03 5078 0.888E-02 0.260E-01 RMM: 5 -0.317661531799E+03 0.40525E-03 -0.33296E-04 3942 0.458E-02 0.110E-01 RMM: 6 -0.317661483915E+03 0.47885E-04 -0.99026E-05 3710 0.274E-02 0.755E-02 RMM: 7 -0.317661562574E+03 -0.78659E-04 -0.10278E-04 3884 0.254E-02 0.124E-01 RMM: 8 -0.317661467598E+03 0.94977E-04 -0.58973E-05 3380 0.218E-02 0.320E-02 RMM: 9 -0.317661469658E+03 -0.20604E-05 -0.16746E-05 2522 0.122E-02 7051 T= 6806. E= 0.69039648E+03 F= 0.63409665E+03 E0= 0.66251972E+03 EK= 0.56300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315895429718E+03 0.17660E+01 -0.31870E-01 9096 0.240E+01 0.312E-01 RMM: 2 -0.315928153505E+03 -0.32724E-01 -0.24918E-01 5686 0.104E+00 0.122E+00 RMM: 3 -0.315916215395E+03 0.11938E-01 -0.17955E-02 5570 0.274E-01 0.253E-01 RMM: 4 -0.315915955450E+03 0.25994E-03 -0.16230E-03 5038 0.880E-02 0.232E-01 RMM: 5 -0.315915702387E+03 0.25306E-03 -0.30908E-04 3938 0.430E-02 0.144E-01 RMM: 6 -0.315915594773E+03 0.10761E-03 -0.12407E-04 3857 0.311E-02 0.773E-02 RMM: 7 -0.315915699428E+03 -0.10465E-03 -0.11352E-04 3847 0.268E-02 0.141E-01 RMM: 8 -0.315915582672E+03 0.11676E-03 -0.90325E-05 3800 0.263E-02 0.385E-02 RMM: 9 -0.315915578768E+03 0.39041E-05 -0.16367E-05 2533 0.121E-02 7052 T= 6185. E= 0.68714026E+03 F= 0.63597335E+03 E0= 0.66438106E+03 EK= 0.51167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314164703124E+03 0.17509E+01 -0.31671E-01 9096 0.230E+01 0.292E-01 RMM: 2 -0.314194962562E+03 -0.30259E-01 -0.22413E-01 5844 0.975E-01 0.122E+00 RMM: 3 -0.314183361952E+03 0.11601E-01 -0.14582E-02 5570 0.248E-01 0.234E-01 RMM: 4 -0.314183093965E+03 0.26799E-03 -0.13334E-03 4794 0.788E-02 0.195E-01 RMM: 5 -0.314182897503E+03 0.19646E-03 -0.27602E-04 3923 0.419E-02 0.125E-01 RMM: 6 -0.314182857496E+03 0.40006E-04 -0.14375E-04 3878 0.327E-02 0.101E-01 RMM: 7 -0.314182949966E+03 -0.92470E-04 -0.12253E-04 3879 0.288E-02 0.148E-01 RMM: 8 -0.314182810968E+03 0.13900E-03 -0.77484E-05 3628 0.249E-02 0.364E-02 RMM: 9 -0.314182815441E+03 -0.44722E-05 -0.20202E-05 2561 0.131E-02 7053 T= 5663. E= 0.68468891E+03 F= 0.63784445E+03 E0= 0.66623897E+03 EK= 0.46844E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312685932990E+03 0.14969E+01 -0.33799E-01 9060 0.222E+01 0.293E-01 RMM: 2 -0.312718136665E+03 -0.32204E-01 -0.22363E-01 5696 0.993E-01 0.133E+00 RMM: 3 -0.312704823930E+03 0.13313E-01 -0.16208E-02 5582 0.259E-01 0.260E-01 RMM: 4 -0.312704339525E+03 0.48440E-03 -0.14049E-03 4777 0.789E-02 0.156E-01 RMM: 5 -0.312704230354E+03 0.10917E-03 -0.25893E-04 3893 0.410E-02 0.130E-01 RMM: 6 -0.312704184632E+03 0.45723E-04 -0.13369E-04 3885 0.311E-02 0.108E-01 RMM: 7 -0.312704280288E+03 -0.95656E-04 -0.15847E-04 3897 0.332E-02 0.157E-01 RMM: 8 -0.312704125362E+03 0.15493E-03 -0.95991E-05 3731 0.276E-02 0.404E-02 RMM: 9 -0.312704134057E+03 -0.86948E-05 -0.27587E-05 2685 0.151E-02 7054 T= 5403. E= 0.68416633E+03 F= 0.63946768E+03 E0= 0.66785374E+03 EK= 0.44699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311719921121E+03 0.98420E+00 -0.31561E-01 9036 0.218E+01 0.295E-01 RMM: 2 -0.311751814306E+03 -0.31893E-01 -0.21244E-01 5852 0.969E-01 0.135E+00 RMM: 3 -0.311737930143E+03 0.13884E-01 -0.14345E-02 5489 0.253E-01 0.276E-01 RMM: 4 -0.311737428970E+03 0.50117E-03 -0.14788E-03 4752 0.797E-02 0.150E-01 RMM: 5 -0.311737317488E+03 0.11148E-03 -0.24996E-04 3893 0.395E-02 0.123E-01 RMM: 6 -0.311737283789E+03 0.33699E-04 -0.12394E-04 3874 0.304E-02 0.106E-01 RMM: 7 -0.311737381867E+03 -0.98078E-04 -0.14387E-04 3886 0.314E-02 0.158E-01 RMM: 8 -0.311737226084E+03 0.15578E-03 -0.90929E-05 3689 0.268E-02 0.437E-02 RMM: 9 -0.311737228509E+03 -0.24250E-05 -0.25153E-05 2623 0.145E-02 7055 T= 5491. E= 0.68601150E+03 F= 0.64058224E+03 E0= 0.66896539E+03 EK= 0.45429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311453939004E+03 0.28329E+00 -0.26267E-01 9060 0.223E+01 0.258E-01 RMM: 2 -0.311480195300E+03 -0.26256E-01 -0.19025E-01 5983 0.904E-01 0.114E+00 RMM: 3 -0.311470104541E+03 0.10091E-01 -0.11782E-02 5459 0.230E-01 0.220E-01 RMM: 4 -0.311469890431E+03 0.21411E-03 -0.11959E-03 4746 0.734E-02 0.176E-01 RMM: 5 -0.311469719707E+03 0.17072E-03 -0.21614E-04 3894 0.353E-02 0.117E-01 RMM: 6 -0.311469668495E+03 0.51212E-04 -0.92007E-05 3708 0.263E-02 0.877E-02 RMM: 7 -0.311469747155E+03 -0.78660E-04 -0.13409E-04 3890 0.299E-02 0.138E-01 RMM: 8 -0.311469625252E+03 0.12190E-03 -0.78750E-05 3583 0.253E-02 0.314E-02 RMM: 9 -0.311469628191E+03 -0.29394E-05 -0.17245E-05 2530 0.121E-02 7056 T= 5946. E= 0.69018618E+03 F= 0.64099689E+03 E0= 0.66938438E+03 EK= 0.49189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311928281472E+03 -0.45866E+00 -0.23367E-01 9048 0.236E+01 0.289E-01 RMM: 2 -0.311954134790E+03 -0.25853E-01 -0.18376E-01 5528 0.919E-01 0.120E+00 RMM: 3 -0.311943091541E+03 0.11043E-01 -0.14734E-02 5674 0.244E-01 0.231E-01 RMM: 4 -0.311942855079E+03 0.23646E-03 -0.14483E-03 4772 0.873E-02 0.224E-01 RMM: 5 -0.311942561519E+03 0.29356E-03 -0.28250E-04 3903 0.395E-02 0.129E-01 RMM: 6 -0.311942467660E+03 0.93859E-04 -0.92272E-05 3659 0.265E-02 0.658E-02 RMM: 7 -0.311942506584E+03 -0.38925E-04 -0.91566E-05 3846 0.245E-02 0.106E-01 RMM: 8 -0.311942433628E+03 0.72957E-04 -0.60735E-05 3381 0.217E-02 0.337E-02 RMM: 9 -0.311942439387E+03 -0.57589E-05 -0.20104E-05 2568 0.131E-02 7057 T= 6686. E= 0.69598232E+03 F= 0.64066779E+03 E0= 0.66906750E+03 EK= 0.55315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313007548323E+03 -0.10651E+01 -0.23964E-01 9000 0.254E+01 0.358E-01 RMM: 2 -0.313032812084E+03 -0.25264E-01 -0.19579E-01 5287 0.103E+00 0.117E+00 RMM: 3 -0.313022914347E+03 0.98977E-02 -0.19576E-02 5755 0.281E-01 0.262E-01 RMM: 4 -0.313022711016E+03 0.20333E-03 -0.18644E-03 4790 0.990E-02 0.301E-01 RMM: 5 -0.313022121115E+03 0.58990E-03 -0.43956E-04 4205 0.521E-02 0.132E-01 RMM: 6 -0.313022014544E+03 0.10657E-03 -0.10456E-04 3717 0.272E-02 0.599E-02 RMM: 7 -0.313022032614E+03 -0.18070E-04 -0.82769E-05 3826 0.234E-02 7058 T= 7466. E= 0.70148807E+03 F= 0.63972820E+03 E0= 0.66814900E+03 EK= 0.61760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314450714003E+03 -0.14287E+01 -0.26198E-01 8688 0.267E+01 0.422E-01 RMM: 2 -0.314486021355E+03 -0.35307E-01 -0.24281E-01 5221 0.116E+00 0.150E+00 RMM: 3 -0.314470351204E+03 0.15670E-01 -0.26377E-02 5721 0.330E-01 0.380E-01 RMM: 4 -0.314469643718E+03 0.70749E-03 -0.27316E-03 5183 0.119E-01 0.315E-01 RMM: 5 -0.314468965382E+03 0.67834E-03 -0.55928E-04 4467 0.585E-02 0.138E-01 RMM: 6 -0.314468867203E+03 0.98179E-04 -0.11368E-04 3773 0.269E-02 0.784E-02 RMM: 7 -0.314468895096E+03 -0.27893E-04 -0.11807E-04 3883 0.270E-02 0.121E-01 RMM: 8 -0.314468795132E+03 0.99964E-04 -0.10500E-04 3874 0.263E-02 0.379E-02 RMM: 9 -0.314468826053E+03 -0.30921E-04 -0.42764E-05 3133 0.181E-02 0.787E-02 RMM: 10 -0.314468789358E+03 0.36695E-04 -0.20741E-05 2586 0.159E-02 0.223E-02 RMM: 11 -0.314468786522E+03 0.28361E-05 -0.36558E-06 2445 0.572E-03 7059 T= 7899. E= 0.70376939E+03 F= 0.63842024E+03 E0= 0.66686977E+03 EK= 0.65349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316067831904E+03 -0.15990E+01 -0.27059E-01 8640 0.270E+01 0.387E-01 RMM: 2 -0.316101958379E+03 -0.34126E-01 -0.25122E-01 5218 0.116E+00 0.141E+00 RMM: 3 -0.316087905893E+03 0.14052E-01 -0.26295E-02 5817 0.317E-01 0.271E-01 RMM: 4 -0.316087693923E+03 0.21197E-03 -0.22375E-03 5017 0.108E-01 0.342E-01 RMM: 5 -0.316086945531E+03 0.74839E-03 -0.50147E-04 4480 0.558E-02 0.148E-01 RMM: 6 -0.316086808103E+03 0.13743E-03 -0.13390E-04 3864 0.296E-02 0.676E-02 RMM: 7 -0.316086817760E+03 -0.96576E-05 -0.84425E-05 3748 0.218E-02 7060 T= 7725. E= 0.70084939E+03 F= 0.63694459E+03 E0= 0.66542724E+03 EK= 0.63905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317795934420E+03 -0.17091E+01 -0.23131E-01 8472 0.261E+01 0.314E-01 RMM: 2 -0.317821384464E+03 -0.25450E-01 -0.17780E-01 5228 0.950E-01 0.121E+00 RMM: 3 -0.317810201821E+03 0.11183E-01 -0.17238E-02 5674 0.270E-01 0.265E-01 RMM: 4 -0.317809857398E+03 0.34442E-03 -0.15885E-03 4909 0.900E-02 0.229E-01 RMM: 5 -0.317809514136E+03 0.34326E-03 -0.31381E-04 3903 0.432E-02 0.117E-01 RMM: 6 -0.317809498317E+03 0.15819E-04 -0.13561E-04 3878 0.314E-02 7061 T= 7050. E= 0.69369719E+03 F= 0.63537356E+03 E0= 0.66389022E+03 EK= 0.58324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319645402014E+03 -0.18359E+01 -0.19024E-01 7944 0.246E+01 0.510E-01 RMM: 2 -0.319715332087E+03 -0.69930E-01 -0.14511E-01 5161 0.895E-01 0.294E+00 RMM: 3 -0.319655333015E+03 0.59999E-01 -0.27507E-02 5340 0.415E-01 0.469E-01 RMM: 4 -0.319653834280E+03 0.14987E-02 -0.33657E-03 5359 0.118E-01 0.188E-01 RMM: 5 -0.319653817555E+03 0.16725E-04 -0.52807E-04 4468 0.554E-02 0.211E-01 RMM: 6 -0.319653542601E+03 0.27495E-03 -0.21003E-04 3889 0.387E-02 0.895E-02 RMM: 7 -0.319653625275E+03 -0.82674E-04 -0.15098E-04 3881 0.325E-02 0.141E-01 RMM: 8 -0.319653512213E+03 0.11306E-03 -0.89515E-05 3741 0.255E-02 0.642E-02 RMM: 9 -0.319653490858E+03 0.21355E-04 -0.21374E-05 2618 0.135E-02 0.299E-02 RMM: 10 -0.319653503544E+03 -0.12687E-04 -0.14684E-05 2490 0.110E-02 7062 T= 6236. E= 0.68528474E+03 F= 0.63369538E+03 E0= 0.66224512E+03 EK= 0.51589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321630661598E+03 -0.19772E+01 -0.17080E-01 7404 0.233E+01 0.461E-01 RMM: 2 -0.321688381353E+03 -0.57720E-01 -0.12525E-01 4985 0.858E-01 0.264E+00 RMM: 3 -0.321639579610E+03 0.48802E-01 -0.23641E-02 5339 0.386E-01 0.476E-01 RMM: 4 -0.321638028593E+03 0.15510E-02 -0.29699E-03 5326 0.114E-01 0.147E-01 RMM: 5 -0.321638086220E+03 -0.57627E-04 -0.51084E-04 4503 0.569E-02 0.202E-01 RMM: 6 -0.321637832294E+03 0.25393E-03 -0.19971E-04 3872 0.384E-02 0.784E-02 RMM: 7 -0.321637883449E+03 -0.51155E-04 -0.11808E-04 3867 0.286E-02 0.118E-01 RMM: 8 -0.321637802033E+03 0.81416E-04 -0.52849E-05 3317 0.220E-02 0.486E-02 RMM: 9 -0.321637789569E+03 0.12464E-04 -0.13272E-05 2509 0.107E-02 7063 T= 5593. E= 0.67816149E+03 F= 0.63189356E+03 E0= 0.66047597E+03 EK= 0.46268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323729025612E+03 -0.20912E+01 -0.16306E-01 8088 0.224E+01 0.296E-01 RMM: 2 -0.323746137759E+03 -0.17112E-01 -0.99479E-02 5089 0.732E-01 0.116E+00 RMM: 3 -0.323736483684E+03 0.96541E-02 -0.10927E-02 5453 0.230E-01 0.236E-01 RMM: 4 -0.323736412203E+03 0.71481E-04 -0.14020E-03 4802 0.864E-02 0.247E-01 RMM: 5 -0.323736136490E+03 0.27571E-03 -0.44889E-04 4536 0.569E-02 0.167E-01 RMM: 6 -0.323735982897E+03 0.15359E-03 -0.15539E-04 3875 0.332E-02 0.759E-02 RMM: 7 -0.323736064856E+03 -0.81958E-04 -0.10277E-04 3786 0.278E-02 0.134E-01 RMM: 8 -0.323735949818E+03 0.11504E-03 -0.54193E-05 3334 0.226E-02 0.327E-02 RMM: 9 -0.323735951463E+03 -0.16446E-05 -0.13673E-05 2510 0.106E-02 7064 T= 5262. E= 0.67352809E+03 F= 0.62999347E+03 E0= 0.65860783E+03 EK= 0.43535E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325868717497E+03 -0.21328E+01 -0.17208E-01 8568 0.221E+01 0.307E-01 RMM: 2 -0.325888136654E+03 -0.19419E-01 -0.11009E-01 5094 0.754E-01 0.127E+00 RMM: 3 -0.325876828442E+03 0.11308E-01 -0.11688E-02 5549 0.232E-01 0.218E-01 RMM: 4 -0.325876925431E+03 -0.96989E-04 -0.14770E-03 4771 0.887E-02 0.280E-01 RMM: 5 -0.325876464285E+03 0.46115E-03 -0.36805E-04 4106 0.489E-02 0.130E-01 RMM: 6 -0.325876375694E+03 0.88591E-04 -0.12607E-04 3861 0.313E-02 0.684E-02 RMM: 7 -0.325876434656E+03 -0.58962E-04 -0.70712E-05 3498 0.227E-02 0.117E-01 RMM: 8 -0.325876350246E+03 0.84410E-04 -0.42698E-05 3134 0.207E-02 0.338E-02 RMM: 9 -0.325876345943E+03 0.43024E-05 -0.11674E-05 2484 0.994E-03 7065 T= 5272. E= 0.67167530E+03 F= 0.62806243E+03 E0= 0.65670819E+03 EK= 0.43613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327942758476E+03 -0.20664E+01 -0.19219E-01 8928 0.225E+01 0.305E-01 RMM: 2 -0.327959381010E+03 -0.16623E-01 -0.12498E-01 5212 0.767E-01 0.969E-01 RMM: 3 -0.327952078142E+03 0.73029E-02 -0.11543E-02 5496 0.226E-01 0.231E-01 RMM: 4 -0.327952523232E+03 -0.44509E-03 -0.16067E-03 4875 0.942E-02 0.365E-01 RMM: 5 -0.327951671041E+03 0.85219E-03 -0.51062E-04 4454 0.580E-02 0.120E-01 RMM: 6 -0.327951598175E+03 0.72866E-04 -0.10336E-04 3742 0.260E-02 0.704E-02 RMM: 7 -0.327951645278E+03 -0.47103E-04 -0.94110E-05 3840 0.250E-02 0.114E-01 RMM: 8 -0.327951562179E+03 0.83099E-04 -0.53423E-05 3312 0.214E-02 0.309E-02 RMM: 9 -0.327951567696E+03 -0.55164E-05 -0.16498E-05 2530 0.117E-02 7066 T= 5594. E= 0.67247999E+03 F= 0.62620171E+03 E0= 0.65487878E+03 EK= 0.46278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329808106446E+03 -0.18565E+01 -0.22670E-01 8892 0.234E+01 0.340E-01 RMM: 2 -0.329829477099E+03 -0.21371E-01 -0.17139E-01 5122 0.925E-01 0.105E+00 RMM: 3 -0.329821425837E+03 0.80513E-02 -0.17029E-02 5760 0.255E-01 0.224E-01 RMM: 4 -0.329821844717E+03 -0.41888E-03 -0.17789E-03 4943 0.100E-01 0.393E-01 RMM: 5 -0.329820827594E+03 0.10171E-02 -0.53416E-04 4500 0.591E-02 0.120E-01 RMM: 6 -0.329820753752E+03 0.73842E-04 -0.11373E-04 3824 0.272E-02 0.705E-02 RMM: 7 -0.329820788497E+03 -0.34745E-04 -0.83766E-05 3685 0.233E-02 0.109E-01 RMM: 8 -0.329820715825E+03 0.72672E-04 -0.62745E-05 3412 0.219E-02 0.381E-02 RMM: 9 -0.329820721667E+03 -0.58418E-05 -0.21880E-05 2582 0.136E-02 7067 T= 6152. E= 0.67544356E+03 F= 0.62454650E+03 E0= 0.65325290E+03 EK= 0.50897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331313043452E+03 -0.14923E+01 -0.25684E-01 9108 0.245E+01 0.328E-01 RMM: 2 -0.331333407567E+03 -0.20364E-01 -0.18357E-01 5274 0.922E-01 0.869E-01 RMM: 3 -0.331327486813E+03 0.59208E-02 -0.16460E-02 5782 0.245E-01 0.265E-01 RMM: 4 -0.331327762094E+03 -0.27528E-03 -0.16341E-03 4840 0.952E-02 0.391E-01 RMM: 5 -0.331326737954E+03 0.10241E-02 -0.55443E-04 4517 0.601E-02 0.103E-01 RMM: 6 -0.331326687411E+03 0.50543E-04 -0.10096E-04 3732 0.249E-02 0.725E-02 RMM: 7 -0.331326699830E+03 -0.12419E-04 -0.89068E-05 3831 0.241E-02 7068 T= 6788. E= 0.67940497E+03 F= 0.62325072E+03 E0= 0.65198302E+03 EK= 0.56154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332316739021E+03 -0.99005E+00 -0.30824E-01 9096 0.253E+01 0.337E-01 RMM: 2 -0.332342051848E+03 -0.25313E-01 -0.21351E-01 5217 0.984E-01 0.102E+00 RMM: 3 -0.332333547442E+03 0.85044E-02 -0.18404E-02 5810 0.266E-01 0.260E-01 RMM: 4 -0.332333764953E+03 -0.21751E-03 -0.19230E-03 4988 0.104E-01 0.376E-01 RMM: 5 -0.332332830694E+03 0.93426E-03 -0.56137E-04 4485 0.599E-02 0.117E-01 RMM: 6 -0.332332777105E+03 0.53589E-04 -0.11484E-04 3837 0.273E-02 0.844E-02 RMM: 7 -0.332332820574E+03 -0.43469E-04 -0.11766E-04 3884 0.268E-02 0.123E-01 RMM: 8 -0.332332727633E+03 0.92941E-04 -0.72621E-05 3550 0.237E-02 0.357E-02 RMM: 9 -0.332332736644E+03 -0.90113E-05 -0.20752E-05 2574 0.132E-02 7069 T= 7257. E= 0.68248492E+03 F= 0.62245140E+03 E0= 0.65120550E+03 EK= 0.60034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332761478101E+03 -0.42875E+00 -0.33924E-01 8976 0.256E+01 0.318E-01 RMM: 2 -0.332789686345E+03 -0.28208E-01 -0.22558E-01 5336 0.987E-01 0.111E+00 RMM: 3 -0.332779290973E+03 0.10395E-01 -0.16945E-02 5606 0.271E-01 0.231E-01 RMM: 4 -0.332779676920E+03 -0.38595E-03 -0.18067E-03 5060 0.979E-02 0.371E-01 RMM: 5 -0.332778791902E+03 0.88502E-03 -0.48567E-04 4423 0.547E-02 0.112E-01 RMM: 6 -0.332778738778E+03 0.53124E-04 -0.13079E-04 3873 0.294E-02 0.761E-02 RMM: 7 -0.332778792338E+03 -0.53560E-04 -0.83057E-05 3695 0.233E-02 0.119E-01 RMM: 8 -0.332778701539E+03 0.90798E-04 -0.57356E-05 3348 0.215E-02 0.281E-02 RMM: 9 -0.332778709654E+03 -0.81143E-05 -0.18909E-05 2539 0.126E-02 7070 T= 7337. E= 0.68290887E+03 F= 0.62221203E+03 E0= 0.65098140E+03 EK= 0.60697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332695552323E+03 0.83149E-01 -0.34581E-01 8784 0.252E+01 0.260E-01 RMM: 2 -0.332718210907E+03 -0.22659E-01 -0.21262E-01 5957 0.945E-01 0.689E-01 RMM: 3 -0.332713110103E+03 0.51008E-02 -0.11672E-02 5615 0.226E-01 0.202E-01 RMM: 4 -0.332713248173E+03 -0.13807E-03 -0.11543E-03 4874 0.809E-02 0.286E-01 RMM: 5 -0.332712720858E+03 0.52732E-03 -0.41264E-04 4320 0.534E-02 0.105E-01 RMM: 6 -0.332712745136E+03 -0.24279E-04 -0.15951E-04 3881 0.332E-02 0.123E-01 RMM: 7 -0.332712733591E+03 0.11545E-04 -0.88056E-05 3710 0.258E-02 7071 T= 6993. E= 0.68034398E+03 F= 0.62248945E+03 E0= 0.65126763E+03 EK= 0.57855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332244812855E+03 0.46793E+00 -0.32075E-01 8952 0.243E+01 0.277E-01 RMM: 2 -0.332268953013E+03 -0.24140E-01 -0.21814E-01 5559 0.971E-01 0.813E-01 RMM: 3 -0.332262579194E+03 0.63738E-02 -0.14544E-02 5722 0.249E-01 0.231E-01 RMM: 4 -0.332262502193E+03 0.77001E-04 -0.12427E-03 4948 0.838E-02 0.266E-01 RMM: 5 -0.332262022644E+03 0.47955E-03 -0.47308E-04 4479 0.580E-02 0.101E-01 RMM: 6 -0.332262187362E+03 -0.16472E-03 -0.24192E-04 3885 0.396E-02 0.185E-01 RMM: 7 -0.332262034052E+03 0.15331E-03 -0.11701E-04 3873 0.309E-02 0.106E-01 RMM: 8 -0.332261966321E+03 0.67731E-04 -0.44499E-05 3191 0.192E-02 0.342E-02 RMM: 9 -0.332261985920E+03 -0.19599E-04 -0.22395E-05 2559 0.137E-02 7072 T= 6408. E= 0.67616925E+03 F= 0.62316103E+03 E0= 0.65194285E+03 EK= 0.53008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331552676323E+03 0.70929E+00 -0.27406E-01 9012 0.233E+01 0.259E-01 RMM: 2 -0.331575922278E+03 -0.23246E-01 -0.19908E-01 5343 0.929E-01 0.888E-01 RMM: 3 -0.331568649159E+03 0.72731E-02 -0.14276E-02 5865 0.244E-01 0.203E-01 RMM: 4 -0.331568493948E+03 0.15521E-03 -0.11050E-03 4826 0.780E-02 0.230E-01 RMM: 5 -0.331568193829E+03 0.30012E-03 -0.40318E-04 4459 0.551E-02 0.133E-01 RMM: 6 -0.331568147003E+03 0.46826E-04 -0.21930E-04 3902 0.389E-02 0.108E-01 RMM: 7 -0.331568153342E+03 -0.63393E-05 -0.93328E-05 3764 0.270E-02 7073 T= 5830. E= 0.67231565E+03 F= 0.62408730E+03 E0= 0.65286905E+03 EK= 0.48228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330721705273E+03 0.84644E+00 -0.22671E-01 9060 0.225E+01 0.309E-01 RMM: 2 -0.330741503908E+03 -0.19799E-01 -0.16403E-01 5556 0.829E-01 0.925E-01 RMM: 3 -0.330734004736E+03 0.74992E-02 -0.10857E-02 5622 0.217E-01 0.248E-01 RMM: 4 -0.330734068770E+03 -0.64034E-04 -0.13989E-03 4782 0.901E-02 0.309E-01 RMM: 5 -0.330733464265E+03 0.60450E-03 -0.58817E-04 4584 0.644E-02 0.140E-01 RMM: 6 -0.330733500899E+03 -0.36634E-04 -0.25890E-04 3891 0.409E-02 0.160E-01 RMM: 7 -0.330733433712E+03 0.67187E-04 -0.13645E-04 3880 0.330E-02 0.126E-01 RMM: 8 -0.330733336721E+03 0.96991E-04 -0.56756E-05 3369 0.218E-02 0.384E-02 RMM: 9 -0.330733350804E+03 -0.14083E-04 -0.21918E-05 2570 0.134E-02 7074 T= 5441. E= 0.67017718E+03 F= 0.62516491E+03 E0= 0.65394521E+03 EK= 0.45012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329800968045E+03 0.93237E+00 -0.20149E-01 8952 0.222E+01 0.244E-01 RMM: 2 -0.329816898672E+03 -0.15931E-01 -0.14335E-01 5592 0.758E-01 0.708E-01 RMM: 3 -0.329811938462E+03 0.49602E-02 -0.88503E-03 5748 0.190E-01 0.192E-01 RMM: 4 -0.329812040397E+03 -0.10193E-03 -0.97326E-04 4664 0.751E-02 0.274E-01 RMM: 5 -0.329811552697E+03 0.48770E-03 -0.38617E-04 4240 0.528E-02 0.103E-01 RMM: 6 -0.329811560493E+03 -0.77951E-05 -0.18333E-04 3897 0.362E-02 7075 T= 5329. E= 0.67042024E+03 F= 0.62633523E+03 E0= 0.65511424E+03 EK= 0.44085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328813941979E+03 0.99761E+00 -0.19626E-01 8880 0.225E+01 0.376E-01 RMM: 2 -0.328843200909E+03 -0.29259E-01 -0.13487E-01 5509 0.757E-01 0.164E+00 RMM: 3 -0.328823332333E+03 0.19869E-01 -0.12761E-02 5383 0.257E-01 0.323E-01 RMM: 4 -0.328823127898E+03 0.20443E-03 -0.20957E-03 4825 0.104E-01 0.295E-01 RMM: 5 -0.328822641295E+03 0.48660E-03 -0.58121E-04 4572 0.612E-02 0.177E-01 RMM: 6 -0.328822508517E+03 0.13278E-03 -0.23985E-04 3891 0.396E-02 0.113E-01 RMM: 7 -0.328822616552E+03 -0.10803E-03 -0.15745E-04 3884 0.328E-02 0.169E-01 RMM: 8 -0.328822435032E+03 0.18152E-03 -0.95585E-05 3696 0.283E-02 0.441E-02 RMM: 9 -0.328822434838E+03 0.19402E-06 -0.20967E-05 2598 0.133E-02 7076 T= 5520. E= 0.67324032E+03 F= 0.62757195E+03 E0= 0.65635211E+03 EK= 0.45668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327771755048E+03 0.10507E+01 -0.20597E-01 8904 0.233E+01 0.387E-01 RMM: 2 -0.327816147933E+03 -0.44393E-01 -0.14135E-01 5392 0.797E-01 0.219E+00 RMM: 3 -0.327781349291E+03 0.34799E-01 -0.16146E-02 5381 0.294E-01 0.258E-01 RMM: 4 -0.327781248735E+03 0.10056E-03 -0.22913E-03 4823 0.104E-01 0.263E-01 RMM: 5 -0.327780942152E+03 0.30658E-03 -0.44017E-04 4060 0.514E-02 0.183E-01 RMM: 6 -0.327780732976E+03 0.20918E-03 -0.16431E-04 3888 0.350E-02 0.642E-02 RMM: 7 -0.327780802353E+03 -0.69377E-04 -0.92389E-05 3669 0.250E-02 0.123E-01 RMM: 8 -0.327780704538E+03 0.97815E-04 -0.56717E-05 3340 0.227E-02 0.334E-02 RMM: 9 -0.327780702528E+03 0.20094E-05 -0.14320E-05 2508 0.110E-02 7077 T= 5997. E= 0.67846593E+03 F= 0.62885405E+03 E0= 0.65763813E+03 EK= 0.49612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326717155043E+03 0.10635E+01 -0.22390E-01 8904 0.244E+01 0.342E-01 RMM: 2 -0.326743053142E+03 -0.25898E-01 -0.15123E-01 5339 0.844E-01 0.143E+00 RMM: 3 -0.326728597058E+03 0.14456E-01 -0.14120E-02 5513 0.253E-01 0.297E-01 RMM: 4 -0.326728329820E+03 0.26724E-03 -0.18772E-03 4822 0.985E-02 0.262E-01 RMM: 5 -0.326727943767E+03 0.38605E-03 -0.41931E-04 4039 0.503E-02 0.154E-01 RMM: 6 -0.326727818366E+03 0.12540E-03 -0.14370E-04 3875 0.324E-02 0.845E-02 RMM: 7 -0.326727902745E+03 -0.84380E-04 -0.13551E-04 3884 0.299E-02 0.143E-01 RMM: 8 -0.326727770978E+03 0.13177E-03 -0.81140E-05 3579 0.264E-02 0.418E-02 RMM: 9 -0.326727765865E+03 0.51136E-05 -0.18034E-05 2544 0.124E-02 7078 T= 6669. E= 0.68530772E+03 F= 0.63013639E+03 E0= 0.65892748E+03 EK= 0.55171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325742258623E+03 0.98551E+00 -0.24327E-01 8904 0.255E+01 0.325E-01 RMM: 2 -0.325767108520E+03 -0.24850E-01 -0.16680E-01 5254 0.904E-01 0.125E+00 RMM: 3 -0.325755443955E+03 0.11665E-01 -0.16001E-02 5687 0.253E-01 0.260E-01 RMM: 4 -0.325755286556E+03 0.15740E-03 -0.17360E-03 4887 0.957E-02 0.275E-01 RMM: 5 -0.325754829975E+03 0.45658E-03 -0.39666E-04 3963 0.485E-02 0.140E-01 RMM: 6 -0.325754736996E+03 0.92979E-04 -0.15066E-04 3874 0.338E-02 0.850E-02 RMM: 7 -0.325754827460E+03 -0.90464E-04 -0.10627E-04 3819 0.261E-02 0.146E-01 RMM: 8 -0.325754686534E+03 0.14093E-03 -0.73009E-05 3538 0.247E-02 0.312E-02 RMM: 9 -0.325754688706E+03 -0.21727E-05 -0.17153E-05 2541 0.120E-02 7079 T= 7332. E= 0.69198377E+03 F= 0.63132803E+03 E0= 0.66012822E+03 EK= 0.60656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324972893833E+03 0.78179E+00 -0.25485E-01 8616 0.264E+01 0.304E-01 RMM: 2 -0.324996871949E+03 -0.23978E-01 -0.18143E-01 5203 0.945E-01 0.110E+00 RMM: 3 -0.324987668269E+03 0.92037E-02 -0.17207E-02 5667 0.255E-01 0.248E-01 RMM: 4 -0.324987510670E+03 0.15760E-03 -0.16724E-03 4925 0.949E-02 0.274E-01 RMM: 5 -0.324987081691E+03 0.42898E-03 -0.39550E-04 4101 0.499E-02 0.146E-01 RMM: 6 -0.324986959897E+03 0.12179E-03 -0.12051E-04 3823 0.296E-02 0.737E-02 RMM: 7 -0.324987031906E+03 -0.72009E-04 -0.11974E-04 3880 0.284E-02 0.131E-01 RMM: 8 -0.324986924693E+03 0.10721E-03 -0.59110E-05 3397 0.227E-02 0.389E-02 RMM: 9 -0.324986919398E+03 0.52954E-05 -0.14956E-05 2512 0.110E-02 7080 T= 7699. E= 0.69599664E+03 F= 0.63230745E+03 E0= 0.66111781E+03 EK= 0.63689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324516529687E+03 0.47040E+00 -0.25028E-01 8208 0.266E+01 0.287E-01 RMM: 2 -0.324536567105E+03 -0.20037E-01 -0.16518E-01 5106 0.916E-01 0.936E-01 RMM: 3 -0.324529766297E+03 0.68008E-02 -0.15769E-02 5788 0.246E-01 0.190E-01 RMM: 4 -0.324529839517E+03 -0.73221E-04 -0.13464E-03 4934 0.868E-02 0.287E-01 RMM: 5 -0.324529319480E+03 0.52004E-03 -0.37607E-04 4028 0.489E-02 0.125E-01 RMM: 6 -0.324529264368E+03 0.55112E-04 -0.14516E-04 3879 0.326E-02 0.919E-02 RMM: 7 -0.324529323870E+03 -0.59502E-04 -0.96771E-05 3800 0.259E-02 0.133E-01 RMM: 8 -0.324529206980E+03 0.11689E-03 -0.51222E-05 3286 0.216E-02 0.299E-02 RMM: 9 -0.324529207521E+03 -0.54083E-06 -0.13434E-05 2498 0.103E-02 7081 T= 7574. E= 0.69563641E+03 F= 0.63297644E+03 E0= 0.66179539E+03 EK= 0.62660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324410312130E+03 0.11889E+00 -0.22721E-01 7776 0.261E+01 0.263E-01 RMM: 2 -0.324426695195E+03 -0.16383E-01 -0.13747E-01 5091 0.836E-01 0.837E-01 RMM: 3 -0.324421259703E+03 0.54355E-02 -0.12810E-02 5682 0.223E-01 0.206E-01 RMM: 4 -0.324421251845E+03 0.78579E-05 -0.11892E-03 4850 0.825E-02 0.261E-01 RMM: 5 -0.324420879389E+03 0.37246E-03 -0.39397E-04 4314 0.531E-02 0.149E-01 RMM: 6 -0.324420773281E+03 0.10611E-03 -0.15256E-04 3882 0.329E-02 0.879E-02 RMM: 7 -0.324420829867E+03 -0.56586E-04 -0.10893E-04 3839 0.284E-02 0.127E-01 RMM: 8 -0.324420725002E+03 0.10486E-03 -0.54297E-05 3358 0.222E-02 0.317E-02 RMM: 9 -0.324420725944E+03 -0.94165E-06 -0.12293E-05 2502 0.996E-03 7082 T= 7028. E= 0.69144453E+03 F= 0.63330300E+03 E0= 0.66212874E+03 EK= 0.58142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324638635063E+03 -0.21791E+00 -0.21071E-01 7920 0.250E+01 0.297E-01 RMM: 2 -0.324657367551E+03 -0.18732E-01 -0.13272E-01 5072 0.847E-01 0.107E+00 RMM: 3 -0.324649097023E+03 0.82705E-02 -0.13869E-02 5718 0.236E-01 0.243E-01 RMM: 4 -0.324648879380E+03 0.21764E-03 -0.12616E-03 4808 0.837E-02 0.243E-01 RMM: 5 -0.324648572071E+03 0.30731E-03 -0.48491E-04 4596 0.606E-02 0.157E-01 RMM: 6 -0.324648486172E+03 0.85899E-04 -0.22854E-04 3888 0.396E-02 0.114E-01 RMM: 7 -0.324648541866E+03 -0.55694E-04 -0.12247E-04 3866 0.314E-02 0.142E-01 RMM: 8 -0.324648410470E+03 0.13140E-03 -0.63385E-05 3453 0.234E-02 0.400E-02 RMM: 9 -0.324648409298E+03 0.11721E-05 -0.15457E-05 2525 0.113E-02 7083 T= 6332. E= 0.68569153E+03 F= 0.63330601E+03 E0= 0.66213730E+03 EK= 0.52386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325177602216E+03 -0.52919E+00 -0.20042E-01 8016 0.239E+01 0.313E-01 RMM: 2 -0.325198348905E+03 -0.20747E-01 -0.14431E-01 5096 0.869E-01 0.115E+00 RMM: 3 -0.325188919006E+03 0.94299E-02 -0.14945E-02 5725 0.247E-01 0.259E-01 RMM: 4 -0.325188639687E+03 0.27932E-03 -0.14430E-03 4878 0.887E-02 0.246E-01 RMM: 5 -0.325188349821E+03 0.28987E-03 -0.55463E-04 4595 0.649E-02 0.170E-01 RMM: 6 -0.325188239354E+03 0.11047E-03 -0.23596E-04 3894 0.402E-02 0.118E-01 RMM: 7 -0.325188292599E+03 -0.53245E-04 -0.15050E-04 3892 0.344E-02 0.148E-01 RMM: 8 -0.325188154281E+03 0.13832E-03 -0.76088E-05 3539 0.255E-02 0.406E-02 RMM: 9 -0.325188157813E+03 -0.35314E-05 -0.17770E-05 2546 0.121E-02 7084 T= 5754. E= 0.68061199E+03 F= 0.63301213E+03 E0= 0.66185012E+03 EK= 0.47600E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326010339232E+03 -0.82218E+00 -0.19870E-01 8412 0.229E+01 0.322E-01 RMM: 2 -0.326031576183E+03 -0.21237E-01 -0.14624E-01 5196 0.847E-01 0.116E+00 RMM: 3 -0.326021664727E+03 0.99115E-02 -0.14282E-02 5701 0.239E-01 0.271E-01 RMM: 4 -0.326021448726E+03 0.21600E-03 -0.15128E-03 4794 0.913E-02 0.269E-01 RMM: 5 -0.326021065894E+03 0.38283E-03 -0.55776E-04 4601 0.640E-02 0.171E-01 RMM: 6 -0.326020956131E+03 0.10976E-03 -0.25571E-04 3886 0.417E-02 0.119E-01 RMM: 7 -0.326021017371E+03 -0.61239E-04 -0.14597E-04 3877 0.341E-02 0.149E-01 RMM: 8 -0.326020871788E+03 0.14558E-03 -0.77121E-05 3567 0.255E-02 0.413E-02 RMM: 9 -0.326020872192E+03 -0.40398E-06 -0.17936E-05 2549 0.121E-02 7085 T= 5443. E= 0.67746817E+03 F= 0.63243898E+03 E0= 0.66128668E+03 EK= 0.45029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327110769680E+03 -0.10899E+01 -0.20877E-01 8688 0.225E+01 0.325E-01 RMM: 2 -0.327131542162E+03 -0.20772E-01 -0.14989E-01 5339 0.818E-01 0.111E+00 RMM: 3 -0.327121883408E+03 0.96588E-02 -0.12554E-02 5610 0.228E-01 0.239E-01 RMM: 4 -0.327122072554E+03 -0.18915E-03 -0.16437E-03 4781 0.959E-02 0.330E-01 RMM: 5 -0.327121454525E+03 0.61803E-03 -0.54664E-04 4565 0.618E-02 0.168E-01 RMM: 6 -0.327121314854E+03 0.13967E-03 -0.19602E-04 3880 0.361E-02 0.974E-02 RMM: 7 -0.327121385195E+03 -0.70341E-04 -0.13948E-04 3893 0.321E-02 0.142E-01 RMM: 8 -0.327121257548E+03 0.12765E-03 -0.69182E-05 3492 0.245E-02 0.382E-02 RMM: 9 -0.327121256997E+03 0.55143E-06 -0.14551E-05 2520 0.108E-02 7086 T= 5450. E= 0.67669258E+03 F= 0.63160678E+03 E0= 0.66046957E+03 EK= 0.45086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328421500503E+03 -0.13002E+01 -0.23125E-01 9060 0.227E+01 0.332E-01 RMM: 2 -0.328441448255E+03 -0.19948E-01 -0.16049E-01 5454 0.814E-01 0.995E-01 RMM: 3 -0.328433418055E+03 0.80302E-02 -0.11540E-02 5558 0.217E-01 0.249E-01 RMM: 4 -0.328433850076E+03 -0.43202E-03 -0.16988E-03 4706 0.980E-02 0.380E-01 RMM: 5 -0.328432953429E+03 0.89665E-03 -0.53927E-04 4480 0.593E-02 0.155E-01 RMM: 6 -0.328432831461E+03 0.12197E-03 -0.17963E-04 3882 0.345E-02 0.879E-02 RMM: 7 -0.328432915605E+03 -0.84144E-04 -0.12664E-04 3884 0.300E-02 0.142E-01 RMM: 8 -0.328432781582E+03 0.13402E-03 -0.73160E-05 3560 0.244E-02 0.364E-02 RMM: 9 -0.328432778930E+03 0.26525E-05 -0.14634E-05 2520 0.109E-02 7087 T= 5762. E= 0.67823123E+03 F= 0.63056530E+03 E0= 0.65944931E+03 EK= 0.47666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329836039192E+03 -0.14033E+01 -0.29579E-01 9036 0.234E+01 0.349E-01 RMM: 2 -0.329860920484E+03 -0.24881E-01 -0.21152E-01 5419 0.933E-01 0.101E+00 RMM: 3 -0.329852341016E+03 0.85795E-02 -0.15782E-02 5633 0.246E-01 0.264E-01 RMM: 4 -0.329852806893E+03 -0.46588E-03 -0.20119E-03 4810 0.106E-01 0.412E-01 RMM: 5 -0.329851721058E+03 0.10858E-02 -0.63649E-04 4567 0.641E-02 0.141E-01 RMM: 6 -0.329851614316E+03 0.10674E-03 -0.13900E-04 3880 0.294E-02 0.797E-02 RMM: 7 -0.329851686043E+03 -0.71727E-04 -0.14463E-04 3894 0.302E-02 0.137E-01 RMM: 8 -0.329851566583E+03 0.11946E-03 -0.74406E-05 3555 0.244E-02 0.331E-02 RMM: 9 -0.329851567729E+03 -0.11457E-05 -0.15300E-05 2522 0.112E-02 7088 T= 6304. E= 0.68156356E+03 F= 0.62941264E+03 E0= 0.65832475E+03 EK= 0.52151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331215975205E+03 -0.13644E+01 -0.37863E-01 9048 0.244E+01 0.370E-01 RMM: 2 -0.331245073413E+03 -0.29098E-01 -0.26207E-01 5553 0.102E+00 0.982E-01 RMM: 3 -0.331236299577E+03 0.87738E-02 -0.18189E-02 5668 0.259E-01 0.284E-01 RMM: 4 -0.331236737483E+03 -0.43791E-03 -0.21503E-03 4797 0.108E-01 0.430E-01 RMM: 5 -0.331235554826E+03 0.11827E-02 -0.66502E-04 4585 0.642E-02 0.152E-01 RMM: 6 -0.331235429118E+03 0.12571E-03 -0.15646E-04 3890 0.312E-02 0.818E-02 RMM: 7 -0.331235516516E+03 -0.87399E-04 -0.14830E-04 3885 0.305E-02 0.148E-01 RMM: 8 -0.331235374749E+03 0.14177E-03 -0.10356E-04 3845 0.265E-02 0.332E-02 RMM: 9 -0.331235379511E+03 -0.47620E-05 -0.20187E-05 2599 0.130E-02 7089 T= 6911. E= 0.68545695E+03 F= 0.62828846E+03 E0= 0.65723314E+03 EK= 0.57168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332414489690E+03 -0.11791E+01 -0.47934E-01 9000 0.252E+01 0.360E-01 RMM: 2 -0.332447741268E+03 -0.33252E-01 -0.30817E-01 5747 0.108E+00 0.935E-01 RMM: 3 -0.332438844490E+03 0.88968E-02 -0.18317E-02 5623 0.259E-01 0.281E-01 RMM: 4 -0.332439293268E+03 -0.44878E-03 -0.21971E-03 4806 0.109E-01 0.425E-01 RMM: 5 -0.332438086275E+03 0.12070E-02 -0.70851E-04 4570 0.665E-02 0.126E-01 RMM: 6 -0.332438021840E+03 0.64435E-04 -0.13739E-04 3880 0.286E-02 0.927E-02 RMM: 7 -0.332438086875E+03 -0.65035E-04 -0.16192E-04 3892 0.313E-02 0.142E-01 RMM: 8 -0.332437960199E+03 0.12668E-03 -0.93389E-05 3731 0.261E-02 0.368E-02 RMM: 9 -0.332437964026E+03 -0.38268E-05 -0.21001E-05 2571 0.133E-02 7090 T= 7333. E= 0.68800792E+03 F= 0.62734050E+03 E0= 0.65631872E+03 EK= 0.60667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333343881493E+03 -0.90592E+00 -0.57352E-01 8940 0.255E+01 0.347E-01 RMM: 2 -0.333379035019E+03 -0.35154E-01 -0.33254E-01 5947 0.112E+00 0.871E-01 RMM: 3 -0.333370913630E+03 0.81214E-02 -0.18307E-02 5632 0.267E-01 0.243E-01 RMM: 4 -0.333371323691E+03 -0.41006E-03 -0.19149E-03 4901 0.100E-01 0.398E-01 RMM: 5 -0.333370280659E+03 0.10430E-02 -0.63968E-04 4518 0.630E-02 0.109E-01 RMM: 6 -0.333370284032E+03 -0.33724E-05 -0.17177E-04 3882 0.329E-02 7091 T= 7363. E= 0.68757532E+03 F= 0.62666275E+03 E0= 0.65566887E+03 EK= 0.60913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334026885084E+03 -0.65660E+00 -0.63448E-01 8700 0.251E+01 0.538E-01 RMM: 2 -0.334118112916E+03 -0.91228E-01 -0.34158E-01 5744 0.115E+00 0.299E+00 RMM: 3 -0.334053164521E+03 0.64948E-01 -0.30566E-02 5363 0.415E-01 0.482E-01 RMM: 4 -0.334051892197E+03 0.12723E-02 -0.41508E-03 5366 0.134E-01 0.264E-01 RMM: 5 -0.334051959234E+03 -0.67037E-04 -0.89252E-04 4591 0.705E-02 0.304E-01 RMM: 6 -0.334051402652E+03 0.55658E-03 -0.43174E-04 4059 0.538E-02 0.115E-01 RMM: 7 -0.334051550623E+03 -0.14797E-03 -0.26952E-04 3894 0.431E-02 0.185E-01 RMM: 8 -0.334051377519E+03 0.17310E-03 -0.13802E-04 3880 0.337E-02 0.889E-02 RMM: 9 -0.334051332274E+03 0.45245E-04 -0.29781E-05 2929 0.159E-02 0.348E-02 RMM: 10 -0.334051348297E+03 -0.16024E-04 -0.18703E-05 2526 0.124E-02 7092 T= 6990. E= 0.68406813E+03 F= 0.62624272E+03 E0= 0.65526966E+03 EK= 0.57825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334573168171E+03 -0.52184E+00 -0.65749E-01 8688 0.242E+01 0.490E-01 RMM: 2 -0.334652229981E+03 -0.79062E-01 -0.34166E-01 5641 0.117E+00 0.267E+00 RMM: 3 -0.334600504647E+03 0.51725E-01 -0.28645E-02 5367 0.396E-01 0.457E-01 RMM: 4 -0.334599244964E+03 0.12597E-02 -0.39641E-03 5363 0.134E-01 0.236E-01 RMM: 5 -0.334599308169E+03 -0.63205E-04 -0.84796E-04 4609 0.717E-02 0.279E-01 RMM: 6 -0.334598813870E+03 0.49430E-03 -0.37781E-04 3941 0.510E-02 0.890E-02 RMM: 7 -0.334598972202E+03 -0.15833E-03 -0.21344E-04 3880 0.379E-02 0.177E-01 RMM: 8 -0.334598781420E+03 0.19078E-03 -0.10840E-04 3778 0.304E-02 0.530E-02 RMM: 9 -0.334598770522E+03 0.10898E-04 -0.17544E-05 2563 0.120E-02 7093 T= 6412. E= 0.67901377E+03 F= 0.62596855E+03 E0= 0.65500695E+03 EK= 0.53045E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335143265378E+03 -0.54448E+00 -0.57950E-01 8868 0.232E+01 0.379E-01 RMM: 2 -0.335186417206E+03 -0.43152E-01 -0.30130E-01 5729 0.111E+00 0.153E+00 RMM: 3 -0.335167663597E+03 0.18754E-01 -0.18771E-02 5455 0.297E-01 0.332E-01 RMM: 4 -0.335167250391E+03 0.41321E-03 -0.22866E-03 5118 0.106E-01 0.279E-01 RMM: 5 -0.335166892426E+03 0.35796E-03 -0.84897E-04 4604 0.776E-02 0.211E-01 RMM: 6 -0.335166733665E+03 0.15876E-03 -0.41864E-04 4213 0.530E-02 0.149E-01 RMM: 7 -0.335166825008E+03 -0.91343E-04 -0.21554E-04 3894 0.398E-02 0.188E-01 RMM: 8 -0.335166595649E+03 0.22936E-03 -0.11268E-04 3817 0.310E-02 0.427E-02 RMM: 9 -0.335166610836E+03 -0.15187E-04 -0.27854E-05 2812 0.150E-02 7094 T= 5878. E= 0.67431425E+03 F= 0.62568901E+03 E0= 0.65473184E+03 EK= 0.48625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335854140910E+03 -0.68755E+00 -0.45060E-01 8820 0.225E+01 0.343E-01 RMM: 2 -0.335886585481E+03 -0.32445E-01 -0.24907E-01 5566 0.100E+00 0.123E+00 RMM: 3 -0.335874045301E+03 0.12540E-01 -0.16077E-02 5509 0.268E-01 0.286E-01 RMM: 4 -0.335873837589E+03 0.20771E-03 -0.18693E-03 4936 0.974E-02 0.283E-01 RMM: 5 -0.335873392043E+03 0.44555E-03 -0.74579E-04 4608 0.739E-02 0.175E-01 RMM: 6 -0.335873324027E+03 0.68015E-04 -0.33289E-04 3908 0.467E-02 0.145E-01 RMM: 7 -0.335873346573E+03 -0.22546E-04 -0.15301E-04 3880 0.354E-02 0.155E-01 RMM: 8 -0.335873191605E+03 0.15497E-03 -0.78275E-05 3572 0.253E-02 0.381E-02 RMM: 9 -0.335873199311E+03 -0.77054E-05 -0.20610E-05 2572 0.130E-02 7095 T= 5555. E= 0.67124124E+03 F= 0.62528439E+03 E0= 0.65432832E+03 EK= 0.45957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336752681268E+03 -0.87949E+00 -0.33730E-01 8904 0.223E+01 0.344E-01 RMM: 2 -0.336780209041E+03 -0.27528E-01 -0.20475E-01 5557 0.893E-01 0.119E+00 RMM: 3 -0.336768554557E+03 0.11654E-01 -0.13960E-02 5462 0.246E-01 0.261E-01 RMM: 4 -0.336768851567E+03 -0.29701E-03 -0.20456E-03 5013 0.106E-01 0.372E-01 RMM: 5 -0.336768057205E+03 0.79436E-03 -0.74777E-04 4607 0.723E-02 0.184E-01 RMM: 6 -0.336767906378E+03 0.15083E-03 -0.26146E-04 3884 0.415E-02 0.113E-01 RMM: 7 -0.336767924537E+03 -0.18158E-04 -0.13254E-04 3886 0.324E-02 7096 T= 5515. E= 0.67032553E+03 F= 0.62470012E+03 E0= 0.65374463E+03 EK= 0.45625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337819685074E+03 -0.10518E+01 -0.28210E-01 8880 0.226E+01 0.383E-01 RMM: 2 -0.337842542932E+03 -0.22858E-01 -0.18733E-01 5403 0.882E-01 0.104E+00 RMM: 3 -0.337833827303E+03 0.87156E-02 -0.14063E-02 5508 0.245E-01 0.298E-01 RMM: 4 -0.337834385444E+03 -0.55814E-03 -0.23445E-03 5089 0.115E-01 0.444E-01 RMM: 5 -0.337833127988E+03 0.12575E-02 -0.88389E-04 4613 0.773E-02 0.160E-01 RMM: 6 -0.337833065841E+03 0.62147E-04 -0.24753E-04 3904 0.395E-02 0.136E-01 RMM: 7 -0.337833096733E+03 -0.30892E-04 -0.15623E-04 3891 0.335E-02 0.151E-01 RMM: 8 -0.337832950369E+03 0.14636E-03 -0.86457E-05 3633 0.269E-02 0.384E-02 RMM: 9 -0.337832957091E+03 -0.67219E-05 -0.20420E-05 2570 0.129E-02 7097 T= 5760. E= 0.67159663E+03 F= 0.62394690E+03 E0= 0.65299201E+03 EK= 0.47650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338984559234E+03 -0.11516E+01 -0.26101E-01 8832 0.234E+01 0.343E-01 RMM: 2 -0.339007110251E+03 -0.22551E-01 -0.18286E-01 5384 0.877E-01 0.102E+00 RMM: 3 -0.338998569328E+03 0.85409E-02 -0.13725E-02 5540 0.242E-01 0.271E-01 RMM: 4 -0.338999050618E+03 -0.48129E-03 -0.20029E-03 4970 0.105E-01 0.401E-01 RMM: 5 -0.338998062728E+03 0.98789E-03 -0.60996E-04 4551 0.630E-02 0.157E-01 RMM: 6 -0.338997912197E+03 0.15053E-03 -0.15523E-04 3880 0.318E-02 0.665E-02 RMM: 7 -0.338997978281E+03 -0.66084E-04 -0.88827E-05 3661 0.242E-02 0.123E-01 RMM: 8 -0.338997879821E+03 0.98459E-04 -0.53398E-05 3312 0.222E-02 0.284E-02 RMM: 9 -0.338997883318E+03 -0.34967E-05 -0.13782E-05 2510 0.106E-02 7098 T= 6231. E= 0.67463852E+03 F= 0.62308872E+03 E0= 0.65213663E+03 EK= 0.51550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340144034182E+03 -0.11462E+01 -0.25368E-01 9024 0.244E+01 0.380E-01 RMM: 2 -0.340164293900E+03 -0.20260E-01 -0.17734E-01 5563 0.855E-01 0.949E-01 RMM: 3 -0.340157151417E+03 0.71425E-02 -0.11615E-02 5461 0.228E-01 0.308E-01 RMM: 4 -0.340157868850E+03 -0.71743E-03 -0.22086E-03 4936 0.111E-01 0.465E-01 RMM: 5 -0.340156456345E+03 0.14125E-02 -0.81459E-04 4597 0.740E-02 0.145E-01 RMM: 6 -0.340156360645E+03 0.95700E-04 -0.16881E-04 3886 0.321E-02 0.976E-02 RMM: 7 -0.340156400204E+03 -0.39559E-04 -0.12441E-04 3889 0.286E-02 0.132E-01 RMM: 8 -0.340156288880E+03 0.11132E-03 -0.65949E-05 3471 0.232E-02 0.324E-02 RMM: 9 -0.340156299155E+03 -0.10275E-04 -0.20698E-05 2577 0.132E-02 7099 T= 6791. E= 0.67841131E+03 F= 0.62222876E+03 E0= 0.65128052E+03 EK= 0.56183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341171048999E+03 -0.10148E+01 -0.26010E-01 9012 0.252E+01 0.379E-01 RMM: 2 -0.341192051471E+03 -0.21002E-01 -0.18797E-01 5554 0.860E-01 0.927E-01 RMM: 3 -0.341184737971E+03 0.73135E-02 -0.12528E-02 5483 0.233E-01 0.313E-01 RMM: 4 -0.341185412271E+03 -0.67430E-03 -0.21504E-03 4874 0.109E-01 0.465E-01 RMM: 5 -0.341184005002E+03 0.14073E-02 -0.77383E-04 4564 0.711E-02 0.134E-01 RMM: 6 -0.341183915413E+03 0.89589E-04 -0.13720E-04 3877 0.289E-02 0.826E-02 RMM: 7 -0.341183963666E+03 -0.48253E-04 -0.11475E-04 3886 0.267E-02 0.125E-01 RMM: 8 -0.341183862657E+03 0.10101E-03 -0.68315E-05 3487 0.237E-02 0.326E-02 RMM: 9 -0.341183874569E+03 -0.11912E-04 -0.22235E-05 2595 0.136E-02 7100 T= 7222. E= 0.68124043E+03 F= 0.62149235E+03 E0= 0.65054822E+03 EK= 0.59748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341958241684E+03 -0.77438E+00 -0.27764E-01 8976 0.256E+01 0.373E-01 RMM: 2 -0.341980260713E+03 -0.22019E-01 -0.20054E-01 5614 0.872E-01 0.911E-01 RMM: 3 -0.341972549045E+03 0.77117E-02 -0.12490E-02 5546 0.227E-01 0.298E-01 RMM: 4 -0.341973234915E+03 -0.68587E-03 -0.21016E-03 4864 0.109E-01 0.460E-01 RMM: 5 -0.341971857435E+03 0.13775E-02 -0.74300E-04 4603 0.695E-02 0.146E-01 RMM: 6 -0.341971744664E+03 0.11277E-03 -0.17294E-04 3880 0.330E-02 0.857E-02 RMM: 7 -0.341971812263E+03 -0.67599E-04 -0.11647E-04 3877 0.283E-02 0.136E-01 RMM: 8 -0.341971688392E+03 0.12387E-03 -0.73038E-05 3548 0.237E-02 0.340E-02 RMM: 9 -0.341971695844E+03 -0.74519E-05 -0.20601E-05 2589 0.130E-02 7101 T= 7317. E= 0.68152086E+03 F= 0.62099320E+03 E0= 0.65005124E+03 EK= 0.60528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342460237629E+03 -0.48855E+00 -0.28639E-01 9024 0.252E+01 0.355E-01 RMM: 2 -0.342481025219E+03 -0.20788E-01 -0.19210E-01 5746 0.832E-01 0.834E-01 RMM: 3 -0.342473790190E+03 0.72350E-02 -0.10197E-02 5451 0.217E-01 0.295E-01 RMM: 4 -0.342474388947E+03 -0.59876E-03 -0.20587E-03 4863 0.108E-01 0.429E-01 RMM: 5 -0.342473193038E+03 0.11959E-02 -0.72910E-04 4591 0.695E-02 0.148E-01 RMM: 6 -0.342473079658E+03 0.11338E-03 -0.16221E-04 3886 0.322E-02 0.839E-02 RMM: 7 -0.342473155456E+03 -0.75798E-04 -0.12217E-04 3880 0.288E-02 0.140E-01 RMM: 8 -0.342473029867E+03 0.12559E-03 -0.68755E-05 3518 0.241E-02 0.337E-02 RMM: 9 -0.342473034193E+03 -0.43252E-05 -0.16571E-05 2535 0.116E-02 7102 T= 7023. E= 0.67888380E+03 F= 0.62078473E+03 E0= 0.64984192E+03 EK= 0.58099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342714414183E+03 -0.24138E+00 -0.27681E-01 8892 0.244E+01 0.346E-01 RMM: 2 -0.342735668910E+03 -0.21255E-01 -0.18031E-01 5919 0.790E-01 0.956E-01 RMM: 3 -0.342726889564E+03 0.87793E-02 -0.87414E-03 5421 0.202E-01 0.269E-01 RMM: 4 -0.342727456995E+03 -0.56743E-03 -0.19521E-03 4788 0.106E-01 0.404E-01 RMM: 5 -0.342726470396E+03 0.98660E-03 -0.68069E-04 4595 0.673E-02 0.179E-01 RMM: 6 -0.342726299105E+03 0.17129E-03 -0.22817E-04 3895 0.387E-02 0.951E-02 RMM: 7 -0.342726383512E+03 -0.84406E-04 -0.13044E-04 3880 0.310E-02 0.147E-01 RMM: 8 -0.342726242559E+03 0.14095E-03 -0.69455E-05 3494 0.246E-02 0.320E-02 RMM: 9 -0.342726246885E+03 -0.43261E-05 -0.14617E-05 2524 0.108E-02 7103 T= 6490. E= 0.67452680E+03 F= 0.62083472E+03 E0= 0.64988778E+03 EK= 0.53692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342814067543E+03 -0.87825E-01 -0.26082E-01 8940 0.232E+01 0.330E-01 RMM: 2 -0.342833092169E+03 -0.19025E-01 -0.16850E-01 5923 0.776E-01 0.844E-01 RMM: 3 -0.342826148243E+03 0.69439E-02 -0.82845E-03 5468 0.195E-01 0.265E-01 RMM: 4 -0.342826548961E+03 -0.40072E-03 -0.17550E-03 4742 0.101E-01 0.376E-01 RMM: 5 -0.342825689832E+03 0.85913E-03 -0.76656E-04 4597 0.741E-02 0.164E-01 RMM: 6 -0.342825582914E+03 0.10692E-03 -0.21696E-04 3885 0.376E-02 0.112E-01 RMM: 7 -0.342825605422E+03 -0.22508E-04 -0.12152E-04 3883 0.317E-02 0.127E-01 RMM: 8 -0.342825504129E+03 0.10129E-03 -0.54101E-05 3366 0.221E-02 0.339E-02 RMM: 9 -0.342825510615E+03 -0.64859E-05 -0.15073E-05 2517 0.112E-02 7104 T= 5948. E= 0.67025676E+03 F= 0.62105219E+03 E0= 0.65009843E+03 EK= 0.49205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342858287574E+03 -0.32783E-01 -0.23922E-01 8976 0.223E+01 0.329E-01 RMM: 2 -0.342876445190E+03 -0.18158E-01 -0.15435E-01 5878 0.743E-01 0.897E-01 RMM: 3 -0.342869223033E+03 0.72222E-02 -0.77730E-03 5451 0.188E-01 0.253E-01 RMM: 4 -0.342869695734E+03 -0.47270E-03 -0.16958E-03 4713 0.101E-01 0.382E-01 RMM: 5 -0.342868832847E+03 0.86289E-03 -0.76707E-04 4606 0.740E-02 0.178E-01 RMM: 6 -0.342868707165E+03 0.12568E-03 -0.26839E-04 3892 0.420E-02 0.119E-01 RMM: 7 -0.342868722776E+03 -0.15611E-04 -0.13017E-04 3869 0.338E-02 7105 T= 5574. E= 0.66744881E+03 F= 0.62133807E+03 E0= 0.65037558E+03 EK= 0.46111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342908261818E+03 -0.39555E-01 -0.22446E-01 9000 0.217E+01 0.356E-01 RMM: 2 -0.342923144157E+03 -0.14882E-01 -0.14540E-01 5881 0.717E-01 0.689E-01 RMM: 3 -0.342918434436E+03 0.47097E-02 -0.71865E-03 5422 0.184E-01 0.306E-01 RMM: 4 -0.342919158132E+03 -0.72370E-03 -0.18460E-03 4743 0.106E-01 0.466E-01 RMM: 5 -0.342917746036E+03 0.14121E-02 -0.10388E-03 4608 0.867E-02 0.136E-01 RMM: 6 -0.342917809126E+03 -0.63090E-04 -0.29074E-04 3886 0.429E-02 0.170E-01 RMM: 7 -0.342917692194E+03 0.11693E-03 -0.13918E-04 3884 0.364E-02 0.109E-01 RMM: 8 -0.342917622004E+03 0.70190E-04 -0.43293E-05 3185 0.195E-02 0.378E-02 RMM: 9 -0.342917647450E+03 -0.25446E-04 -0.26006E-05 2718 0.144E-02 0.652E-02 RMM: 10 -0.342917628696E+03 0.18754E-04 -0.19124E-05 2538 0.143E-02 7106 T= 5459. E= 0.66678233E+03 F= 0.62162513E+03 E0= 0.65065273E+03 EK= 0.45157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342976456167E+03 -0.58809E-01 -0.21978E-01 8940 0.217E+01 0.289E-01 RMM: 2 -0.342991705028E+03 -0.15249E-01 -0.15078E-01 5782 0.723E-01 0.600E-01 RMM: 3 -0.342987440426E+03 0.42646E-02 -0.77063E-03 5465 0.184E-01 0.241E-01 RMM: 4 -0.342987981293E+03 -0.54087E-03 -0.13225E-03 4668 0.875E-02 0.385E-01 RMM: 5 -0.342987019058E+03 0.96223E-03 -0.48981E-04 4404 0.572E-02 0.117E-01 RMM: 6 -0.342986969054E+03 0.50004E-04 -0.17158E-04 3880 0.338E-02 0.850E-02 RMM: 7 -0.342986948470E+03 0.20584E-04 -0.48726E-05 3252 0.217E-02 0.691E-02 RMM: 8 -0.342986919432E+03 0.29038E-04 -0.16976E-05 2556 0.130E-02 0.221E-02 RMM: 9 -0.342986925078E+03 -0.56463E-05 -0.92854E-06 2462 0.854E-03 7107 T= 5626. E= 0.66843125E+03 F= 0.62189073E+03 E0= 0.65090802E+03 EK= 0.46541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343038945096E+03 -0.52026E-01 -0.22950E-01 8988 0.223E+01 0.348E-01 RMM: 2 -0.343053911872E+03 -0.14967E-01 -0.15908E-01 6003 0.731E-01 0.547E-01 RMM: 3 -0.343050337533E+03 0.35743E-02 -0.71251E-03 5442 0.179E-01 0.342E-01 RMM: 4 -0.343050539143E+03 -0.20161E-03 -0.14312E-03 4679 0.891E-02 0.406E-01 RMM: 5 -0.343049438852E+03 0.11003E-02 -0.64181E-04 4551 0.649E-02 0.101E-01 RMM: 6 -0.343049477167E+03 -0.38315E-04 -0.17465E-04 3882 0.332E-02 0.131E-01 RMM: 7 -0.343049416311E+03 0.60856E-04 -0.78257E-05 3608 0.251E-02 0.956E-02 RMM: 8 -0.343049361117E+03 0.55194E-04 -0.40296E-05 3126 0.186E-02 0.312E-02 RMM: 9 -0.343049378750E+03 -0.17633E-04 -0.16265E-05 2534 0.116E-02 7108 T= 6046. E= 0.67217000E+03 F= 0.62215453E+03 E0= 0.65115964E+03 EK= 0.50015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343036675943E+03 0.12685E-01 -0.25363E-01 9012 0.232E+01 0.342E-01 RMM: 2 -0.343055564998E+03 -0.18889E-01 -0.19403E-01 5770 0.820E-01 0.618E-01 RMM: 3 -0.343051114720E+03 0.44503E-02 -0.10185E-02 5614 0.201E-01 0.316E-01 RMM: 4 -0.343051447876E+03 -0.33316E-03 -0.15346E-03 4731 0.907E-02 0.415E-01 RMM: 5 -0.343050306799E+03 0.11411E-02 -0.66100E-04 4605 0.658E-02 0.109E-01 RMM: 6 -0.343050283850E+03 0.22948E-04 -0.15406E-04 3876 0.310E-02 0.992E-02 RMM: 7 -0.343050266743E+03 0.17108E-04 -0.73730E-05 3571 0.234E-02 7109 T= 6617. E= 0.67720942E+03 F= 0.62246673E+03 E0= 0.65145757E+03 EK= 0.54743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342917429689E+03 0.13285E+00 -0.29574E-01 9084 0.241E+01 0.366E-01 RMM: 2 -0.342942022187E+03 -0.24592E-01 -0.23273E-01 5797 0.902E-01 0.826E-01 RMM: 3 -0.342934850432E+03 0.71718E-02 -0.12823E-02 5608 0.225E-01 0.285E-01 RMM: 4 -0.342935465659E+03 -0.61523E-03 -0.20226E-03 4846 0.106E-01 0.449E-01 RMM: 5 -0.342934127602E+03 0.13381E-02 -0.78301E-04 4598 0.713E-02 0.112E-01 RMM: 6 -0.342934122084E+03 0.55180E-05 -0.15356E-04 3876 0.305E-02 7110 T= 7147. E= 0.68200917E+03 F= 0.62288281E+03 E0= 0.65185509E+03 EK= 0.59126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342660862874E+03 0.27326E+00 -0.36801E-01 9072 0.247E+01 0.461E-01 RMM: 2 -0.342707086957E+03 -0.46224E-01 -0.28122E-01 5570 0.103E+00 0.180E+00 RMM: 3 -0.342682259993E+03 0.24827E-01 -0.23066E-02 5377 0.347E-01 0.358E-01 RMM: 4 -0.342682450910E+03 -0.19092E-03 -0.33126E-03 5317 0.123E-01 0.412E-01 RMM: 5 -0.342681443044E+03 0.10079E-02 -0.73578E-04 4572 0.662E-02 0.184E-01 RMM: 6 -0.342681261812E+03 0.18123E-03 -0.23605E-04 3888 0.396E-02 0.932E-02 RMM: 7 -0.342681364830E+03 -0.10302E-03 -0.13319E-04 3883 0.302E-02 0.155E-01 RMM: 8 -0.342681214087E+03 0.15074E-03 -0.82386E-05 3650 0.250E-02 0.426E-02 RMM: 9 -0.342681216796E+03 -0.27085E-05 -0.24438E-05 2732 0.141E-02 7111 T= 7402. E= 0.68466529E+03 F= 0.62342684E+03 E0= 0.65237798E+03 EK= 0.61238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342316349480E+03 0.36486E+00 -0.39064E-01 9012 0.248E+01 0.476E-01 RMM: 2 -0.342369978187E+03 -0.53629E-01 -0.28476E-01 5573 0.104E+00 0.210E+00 RMM: 3 -0.342337645330E+03 0.32333E-01 -0.23108E-02 5369 0.349E-01 0.439E-01 RMM: 4 -0.342336821811E+03 0.82352E-03 -0.37100E-03 5348 0.132E-01 0.319E-01 RMM: 5 -0.342336490394E+03 0.33142E-03 -0.75943E-04 4602 0.690E-02 0.245E-01 RMM: 6 -0.342336109261E+03 0.38113E-03 -0.25342E-04 3886 0.412E-02 0.743E-02 RMM: 7 -0.342336177579E+03 -0.68319E-04 -0.12242E-04 3867 0.278E-02 0.128E-01 RMM: 8 -0.342336078684E+03 0.98895E-04 -0.67967E-05 3526 0.238E-02 0.435E-02 RMM: 9 -0.342336070901E+03 0.77834E-05 -0.15288E-05 2524 0.114E-02 7112 T= 7255. E= 0.68408136E+03 F= 0.62406134E+03 E0= 0.65298614E+03 EK= 0.60020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341978352779E+03 0.35773E+00 -0.41284E-01 8952 0.242E+01 0.352E-01 RMM: 2 -0.342013824713E+03 -0.35472E-01 -0.28118E-01 5926 0.104E+00 0.121E+00 RMM: 3 -0.342001065373E+03 0.12759E-01 -0.15737E-02 5434 0.275E-01 0.279E-01 RMM: 4 -0.342001335186E+03 -0.26981E-03 -0.22663E-03 5154 0.108E-01 0.368E-01 RMM: 5 -0.342000554070E+03 0.78112E-03 -0.72005E-04 4604 0.700E-02 0.177E-01 RMM: 6 -0.342000426876E+03 0.12719E-03 -0.24628E-04 3894 0.399E-02 0.118E-01 RMM: 7 -0.342000453541E+03 -0.26665E-04 -0.13402E-04 3888 0.324E-02 0.132E-01 RMM: 8 -0.342000343898E+03 0.10964E-03 -0.57878E-05 3387 0.224E-02 0.355E-02 RMM: 9 -0.342000352630E+03 -0.87316E-05 -0.17563E-05 2540 0.118E-02 7113 T= 6788. E= 0.68085081E+03 F= 0.62469194E+03 E0= 0.65358836E+03 EK= 0.56159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341772539312E+03 0.22780E+00 -0.37452E-01 8964 0.233E+01 0.326E-01 RMM: 2 -0.341801104510E+03 -0.28565E-01 -0.24297E-01 6025 0.961E-01 0.101E+00 RMM: 3 -0.341791880761E+03 0.92237E-02 -0.12310E-02 5476 0.240E-01 0.243E-01 RMM: 4 -0.341792194816E+03 -0.31405E-03 -0.17531E-03 4948 0.960E-02 0.363E-01 RMM: 5 -0.341791442050E+03 0.75277E-03 -0.73777E-04 4609 0.729E-02 0.162E-01 RMM: 6 -0.341791382673E+03 0.59377E-04 -0.29294E-04 3890 0.441E-02 0.133E-01 RMM: 7 -0.341791382479E+03 0.19378E-06 -0.11930E-04 3855 0.318E-02 7114 T= 6227. E= 0.67671651E+03 F= 0.62520643E+03 E0= 0.65407445E+03 EK= 0.51510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341781109189E+03 0.10273E-01 -0.32827E-01 8976 0.224E+01 0.342E-01 RMM: 2 -0.341805345734E+03 -0.24237E-01 -0.21514E-01 5994 0.925E-01 0.888E-01 RMM: 3 -0.341798179632E+03 0.71661E-02 -0.10950E-02 5500 0.222E-01 0.271E-01 RMM: 4 -0.341798683973E+03 -0.50434E-03 -0.20483E-03 5012 0.111E-01 0.416E-01 RMM: 5 -0.341797647335E+03 0.10366E-02 -0.96488E-04 4606 0.831E-02 0.165E-01 RMM: 6 -0.341797669329E+03 -0.21994E-04 -0.34486E-04 3986 0.470E-02 0.177E-01 RMM: 7 -0.341797573758E+03 0.95571E-04 -0.17191E-04 3885 0.392E-02 0.130E-01 RMM: 8 -0.341797472794E+03 0.10096E-03 -0.67785E-05 3482 0.239E-02 0.443E-02 RMM: 9 -0.341797496026E+03 -0.23232E-04 -0.28822E-05 2826 0.154E-02 0.683E-02 RMM: 10 -0.341797478991E+03 0.17036E-04 -0.19679E-05 2529 0.142E-02 7115 T= 5781. E= 0.67334203E+03 F= 0.62551769E+03 E0= 0.65435794E+03 EK= 0.47824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342044352985E+03 -0.24686E+00 -0.26831E-01 8928 0.219E+01 0.299E-01 RMM: 2 -0.342066325888E+03 -0.21973E-01 -0.18933E-01 5688 0.864E-01 0.887E-01 RMM: 3 -0.342059075165E+03 0.72507E-02 -0.11364E-02 5560 0.219E-01 0.195E-01 RMM: 4 -0.342059452103E+03 -0.37694E-03 -0.15398E-03 4803 0.943E-02 0.346E-01 RMM: 5 -0.342058756806E+03 0.69530E-03 -0.59177E-04 4586 0.645E-02 0.155E-01 RMM: 6 -0.342058657004E+03 0.99802E-04 -0.23309E-04 3894 0.390E-02 0.992E-02 RMM: 7 -0.342058679948E+03 -0.22944E-04 -0.82290E-05 3639 0.271E-02 0.115E-01 RMM: 8 -0.342058593612E+03 0.86336E-04 -0.30989E-05 2973 0.174E-02 0.247E-02 RMM: 9 -0.342058598313E+03 -0.47011E-05 -0.10982E-05 2479 0.927E-03 7116 T= 5574. E= 0.67169358E+03 F= 0.62558265E+03 E0= 0.65439974E+03 EK= 0.46111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342551994061E+03 -0.49340E+00 -0.22293E-01 8964 0.219E+01 0.343E-01 RMM: 2 -0.342567059347E+03 -0.15065E-01 -0.14845E-01 6176 0.737E-01 0.679E-01 RMM: 3 -0.342562657657E+03 0.44017E-02 -0.66314E-03 5432 0.176E-01 0.281E-01 RMM: 4 -0.342563413733E+03 -0.75608E-03 -0.15816E-03 4702 0.977E-02 0.452E-01 RMM: 5 -0.342562060704E+03 0.13530E-02 -0.70190E-04 4583 0.688E-02 0.129E-01 RMM: 6 -0.342562050440E+03 0.10264E-04 -0.25589E-04 3893 0.407E-02 0.127E-01 RMM: 7 -0.342562007584E+03 0.42856E-04 -0.85510E-05 3705 0.279E-02 0.102E-01 RMM: 8 -0.342561940587E+03 0.66997E-04 -0.31478E-05 2972 0.168E-02 0.299E-02 RMM: 9 -0.342561958228E+03 -0.17641E-04 -0.19012E-05 2541 0.124E-02 7117 T= 5645. E= 0.67211023E+03 F= 0.62540786E+03 E0= 0.65420444E+03 EK= 0.46702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343235969771E+03 -0.67403E+00 -0.21552E-01 8976 0.224E+01 0.354E-01 RMM: 2 -0.343254443049E+03 -0.18473E-01 -0.15279E-01 5552 0.785E-01 0.965E-01 RMM: 3 -0.343246789401E+03 0.76536E-02 -0.10211E-02 5599 0.210E-01 0.242E-01 RMM: 4 -0.343247597679E+03 -0.80828E-03 -0.18839E-03 4821 0.105E-01 0.442E-01 RMM: 5 -0.343246352606E+03 0.12451E-02 -0.68397E-04 4571 0.674E-02 0.142E-01 RMM: 6 -0.343246260637E+03 0.91969E-04 -0.17034E-04 3879 0.327E-02 0.899E-02 RMM: 7 -0.343246297153E+03 -0.36516E-04 -0.87869E-05 3702 0.256E-02 0.118E-01 RMM: 8 -0.343246208770E+03 0.88383E-04 -0.45700E-05 3222 0.204E-02 0.271E-02 RMM: 9 -0.343246219972E+03 -0.11203E-04 -0.15747E-05 2512 0.112E-02 7118 T= 5975. E= 0.67447557E+03 F= 0.62504775E+03 E0= 0.65382749E+03 EK= 0.49428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343998721021E+03 -0.75251E+00 -0.20999E-01 9096 0.233E+01 0.375E-01 RMM: 2 -0.344016416268E+03 -0.17695E-01 -0.14513E-01 5561 0.769E-01 0.100E+00 RMM: 3 -0.344008485330E+03 0.79309E-02 -0.98962E-03 5531 0.210E-01 0.276E-01 RMM: 4 -0.344009468247E+03 -0.98292E-03 -0.20027E-03 4804 0.107E-01 0.483E-01 RMM: 5 -0.344007953363E+03 0.15149E-02 -0.70697E-04 4559 0.675E-02 0.150E-01 RMM: 6 -0.344007830529E+03 0.12283E-03 -0.19026E-04 3885 0.350E-02 0.790E-02 RMM: 7 -0.344007883633E+03 -0.53104E-04 -0.82734E-05 3725 0.245E-02 0.123E-01 RMM: 8 -0.344007783019E+03 0.10061E-03 -0.45558E-05 3225 0.198E-02 0.298E-02 RMM: 9 -0.344007793848E+03 -0.10828E-04 -0.19033E-05 2552 0.124E-02 7119 T= 6475. E= 0.67816510E+03 F= 0.62460097E+03 E0= 0.65336731E+03 EK= 0.53564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344694461933E+03 -0.68668E+00 -0.21881E-01 9144 0.243E+01 0.383E-01 RMM: 2 -0.344712847152E+03 -0.18385E-01 -0.15518E-01 5525 0.805E-01 0.988E-01 RMM: 3 -0.344704968881E+03 0.78783E-02 -0.10929E-02 5671 0.215E-01 0.258E-01 RMM: 4 -0.344705853925E+03 -0.88504E-03 -0.19177E-03 4750 0.104E-01 0.471E-01 RMM: 5 -0.344704405302E+03 0.14486E-02 -0.71879E-04 4572 0.683E-02 0.130E-01 RMM: 6 -0.344704322806E+03 0.82496E-04 -0.14141E-04 3874 0.294E-02 0.802E-02 RMM: 7 -0.344704350989E+03 -0.28183E-04 -0.88094E-05 3749 0.247E-02 0.111E-01 RMM: 8 -0.344704272946E+03 0.78043E-04 -0.46376E-05 3217 0.202E-02 0.302E-02 RMM: 9 -0.344704286045E+03 -0.13099E-04 -0.18798E-05 2544 0.123E-02 7120 T= 6975. E= 0.68190751E+03 F= 0.62420882E+03 E0= 0.65296627E+03 EK= 0.57699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345176442298E+03 -0.47217E+00 -0.23323E-01 9180 0.251E+01 0.387E-01 RMM: 2 -0.345195797810E+03 -0.19356E-01 -0.16571E-01 5468 0.843E-01 0.100E+00 RMM: 3 -0.345187760148E+03 0.80377E-02 -0.11949E-02 5674 0.228E-01 0.279E-01 RMM: 4 -0.345188760809E+03 -0.10007E-02 -0.20489E-03 4881 0.107E-01 0.497E-01 RMM: 5 -0.345187153108E+03 0.16077E-02 -0.73230E-04 4558 0.688E-02 0.141E-01 RMM: 6 -0.345187049217E+03 0.10389E-03 -0.17561E-04 3881 0.334E-02 0.807E-02 RMM: 7 -0.345187093670E+03 -0.44452E-04 -0.90881E-05 3788 0.254E-02 0.121E-01 RMM: 8 -0.345186999060E+03 0.94610E-04 -0.48592E-05 3262 0.201E-02 0.328E-02 RMM: 9 -0.345187009297E+03 -0.10237E-04 -0.20901E-05 2571 0.130E-02 7121 T= 7255. E= 0.68403822E+03 F= 0.62402296E+03 E0= 0.65277682E+03 EK= 0.60015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345338398980E+03 -0.15140E+00 -0.24078E-01 9036 0.253E+01 0.360E-01 RMM: 2 -0.345356879716E+03 -0.18481E-01 -0.16367E-01 5483 0.820E-01 0.901E-01 RMM: 3 -0.345349740012E+03 0.71397E-02 -0.11075E-02 5645 0.217E-01 0.250E-01 RMM: 4 -0.345350531603E+03 -0.79159E-03 -0.18093E-03 4820 0.102E-01 0.452E-01 RMM: 5 -0.345349200224E+03 0.13314E-02 -0.68139E-04 4559 0.664E-02 0.120E-01 RMM: 6 -0.345349164453E+03 0.35771E-04 -0.15615E-04 3878 0.311E-02 0.104E-01 RMM: 7 -0.345349171519E+03 -0.70664E-05 -0.96562E-05 3800 0.261E-02 7122 T= 7168. E= 0.68345494E+03 F= 0.62415604E+03 E0= 0.65291372E+03 EK= 0.59299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345164937772E+03 0.18423E+00 -0.24261E-01 8976 0.249E+01 0.341E-01 RMM: 2 -0.345182100495E+03 -0.17163E-01 -0.15013E-01 5545 0.780E-01 0.863E-01 RMM: 3 -0.345175473864E+03 0.66266E-02 -0.92594E-03 5507 0.205E-01 0.264E-01 RMM: 4 -0.345176069002E+03 -0.59514E-03 -0.17686E-03 4837 0.102E-01 0.421E-01 RMM: 5 -0.345174920882E+03 0.11481E-02 -0.72564E-04 4565 0.696E-02 0.132E-01 RMM: 6 -0.345174933477E+03 -0.12595E-04 -0.21553E-04 3886 0.375E-02 0.142E-01 RMM: 7 -0.345174897644E+03 0.35833E-04 -0.11824E-04 3866 0.305E-02 0.124E-01 RMM: 8 -0.345174799770E+03 0.97873E-04 -0.57204E-05 3381 0.219E-02 0.312E-02 RMM: 9 -0.345174813423E+03 -0.13653E-04 -0.16968E-05 2529 0.116E-02 7123 T= 6755. E= 0.68050943E+03 F= 0.62463053E+03 E0= 0.65340051E+03 EK= 0.55879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344736536252E+03 0.43826E+00 -0.23560E-01 8952 0.241E+01 0.292E-01 RMM: 2 -0.344752794513E+03 -0.16258E-01 -0.14351E-01 5514 0.777E-01 0.784E-01 RMM: 3 -0.344747262258E+03 0.55323E-02 -0.94447E-03 5505 0.205E-01 0.233E-01 RMM: 4 -0.344747526847E+03 -0.26459E-03 -0.13456E-03 4764 0.895E-02 0.340E-01 RMM: 5 -0.344746793164E+03 0.73368E-03 -0.65073E-04 4594 0.693E-02 0.140E-01 RMM: 6 -0.344746816245E+03 -0.23081E-04 -0.27789E-04 3907 0.422E-02 0.155E-01 RMM: 7 -0.344746760837E+03 0.55408E-04 -0.11976E-04 3850 0.324E-02 0.123E-01 RMM: 8 -0.344746662995E+03 0.97842E-04 -0.43702E-05 3194 0.197E-02 0.309E-02 RMM: 9 -0.344746669008E+03 -0.60133E-05 -0.14848E-05 2504 0.109E-02 7124 T= 6208. E= 0.67672919E+03 F= 0.62536841E+03 E0= 0.65415999E+03 EK= 0.51361E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344198907106E+03 0.54776E+00 -0.21306E-01 8952 0.232E+01 0.308E-01 RMM: 2 -0.344214882734E+03 -0.15976E-01 -0.12958E-01 5559 0.759E-01 0.891E-01 RMM: 3 -0.344208499820E+03 0.63829E-02 -0.86631E-03 5556 0.192E-01 0.243E-01 RMM: 4 -0.344208498222E+03 0.15980E-05 -0.13018E-03 4688 0.880E-02 0.297E-01 RMM: 5 -0.344208000135E+03 0.49809E-03 -0.82533E-04 4605 0.804E-02 0.171E-01 RMM: 6 -0.344208000848E+03 -0.71299E-06 -0.32433E-04 3925 0.466E-02 0.173E-01 RMM: 7 -0.344207921979E+03 0.78869E-04 -0.17953E-04 3880 0.405E-02 0.138E-01 RMM: 8 -0.344207804055E+03 0.11792E-03 -0.65869E-05 3455 0.238E-02 0.415E-02 RMM: 9 -0.344207814493E+03 -0.10437E-04 -0.20906E-05 2568 0.132E-02 7125 T= 5742. E= 0.67373142E+03 F= 0.62622759E+03 E0= 0.65504828E+03 EK= 0.47504E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343703046924E+03 0.50476E+00 -0.18911E-01 8808 0.225E+01 0.313E-01 RMM: 2 -0.343718668212E+03 -0.15621E-01 -0.11148E-01 5551 0.719E-01 0.101E+00 RMM: 3 -0.343711124325E+03 0.75439E-02 -0.85265E-03 5463 0.198E-01 0.247E-01 RMM: 4 -0.343711203470E+03 -0.79145E-04 -0.12875E-03 4642 0.856E-02 0.306E-01 RMM: 5 -0.343710663481E+03 0.53999E-03 -0.76539E-04 4607 0.777E-02 0.167E-01 RMM: 6 -0.343710653812E+03 0.96691E-05 -0.33778E-04 3975 0.469E-02 0.166E-01 RMM: 7 -0.343710618828E+03 0.34984E-04 -0.15896E-04 3887 0.373E-02 0.148E-01 RMM: 8 -0.343710479421E+03 0.13941E-03 -0.67025E-05 3476 0.241E-02 0.394E-02 RMM: 9 -0.343710489234E+03 -0.98132E-05 -0.20553E-05 2560 0.131E-02 7126 T= 5498. E= 0.67253546E+03 F= 0.62705245E+03 E0= 0.65590889E+03 EK= 0.45483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343368183374E+03 0.34230E+00 -0.16918E-01 8436 0.223E+01 0.322E-01 RMM: 2 -0.343382233666E+03 -0.14050E-01 -0.87408E-02 5565 0.638E-01 0.106E+00 RMM: 3 -0.343373985850E+03 0.82478E-02 -0.68292E-03 5405 0.181E-01 0.245E-01 RMM: 4 -0.343374120271E+03 -0.13442E-03 -0.14365E-03 4655 0.914E-02 0.313E-01 RMM: 5 -0.343373648936E+03 0.47133E-03 -0.67323E-04 4602 0.712E-02 0.203E-01 RMM: 6 -0.343373452267E+03 0.19667E-03 -0.26832E-04 3899 0.431E-02 0.114E-01 RMM: 7 -0.343373498107E+03 -0.45841E-04 -0.14523E-04 3880 0.352E-02 0.141E-01 RMM: 8 -0.343373372885E+03 0.12522E-03 -0.61999E-05 3440 0.235E-02 0.379E-02 RMM: 9 -0.343373375787E+03 -0.29019E-05 -0.14970E-05 2520 0.110E-02 7127 T= 5541. E= 0.67355442E+03 F= 0.62771761E+03 E0= 0.65661382E+03 EK= 0.45837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343248850081E+03 0.12452E+00 -0.16215E-01 8064 0.226E+01 0.324E-01 RMM: 2 -0.343260677701E+03 -0.11828E-01 -0.76518E-02 5486 0.583E-01 0.998E-01 RMM: 3 -0.343253464277E+03 0.72134E-02 -0.64313E-03 5346 0.180E-01 0.241E-01 RMM: 4 -0.343254116215E+03 -0.65194E-03 -0.14618E-03 4652 0.920E-02 0.409E-01 RMM: 5 -0.343253106701E+03 0.10095E-02 -0.60132E-04 4556 0.658E-02 0.155E-01 RMM: 6 -0.343252995508E+03 0.11119E-03 -0.17821E-04 3886 0.342E-02 0.940E-02 RMM: 7 -0.343253036543E+03 -0.41035E-04 -0.97217E-05 3751 0.275E-02 0.122E-01 RMM: 8 -0.343252939598E+03 0.96945E-04 -0.49015E-05 3285 0.213E-02 0.303E-02 RMM: 9 -0.343252943555E+03 -0.39566E-05 -0.13887E-05 2500 0.106E-02 7128 T= 5875. E= 0.67676178E+03 F= 0.62815906E+03 E0= 0.65709750E+03 EK= 0.48603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343329713650E+03 -0.76774E-01 -0.17740E-01 8796 0.235E+01 0.334E-01 RMM: 2 -0.343340829113E+03 -0.11115E-01 -0.82386E-02 5388 0.618E-01 0.923E-01 RMM: 3 -0.343334701618E+03 0.61275E-02 -0.66836E-03 5378 0.182E-01 0.247E-01 RMM: 4 -0.343335367230E+03 -0.66561E-03 -0.16756E-03 4729 0.980E-02 0.411E-01 RMM: 5 -0.343334296710E+03 0.10705E-02 -0.61627E-04 4568 0.647E-02 0.141E-01 RMM: 6 -0.343334191452E+03 0.10526E-03 -0.13385E-04 3883 0.299E-02 0.758E-02 RMM: 7 -0.343334232947E+03 -0.41495E-04 -0.82830E-05 3648 0.240E-02 0.112E-01 RMM: 8 -0.343334153866E+03 0.79082E-04 -0.46070E-05 3201 0.209E-02 0.340E-02 RMM: 9 -0.343334153822E+03 0.43468E-07 -0.13086E-05 2493 0.102E-02 7129 T= 6435. E= 0.68161947E+03 F= 0.62838634E+03 E0= 0.65736665E+03 EK= 0.53233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343539015060E+03 -0.20486E+00 -0.20478E-01 9048 0.246E+01 0.363E-01 RMM: 2 -0.343554151765E+03 -0.15137E-01 -0.10938E-01 5326 0.718E-01 0.104E+00 RMM: 3 -0.343546282655E+03 0.78691E-02 -0.96251E-03 5391 0.216E-01 0.274E-01 RMM: 4 -0.343547114599E+03 -0.83194E-03 -0.19358E-03 4839 0.104E-01 0.459E-01 RMM: 5 -0.343545832089E+03 0.12825E-02 -0.66491E-04 4553 0.667E-02 0.162E-01 RMM: 6 -0.343545672080E+03 0.16001E-03 -0.15281E-04 3880 0.317E-02 0.689E-02 RMM: 7 -0.343545728407E+03 -0.56327E-04 -0.91724E-05 3697 0.252E-02 0.120E-01 RMM: 8 -0.343545637634E+03 0.90773E-04 -0.54234E-05 3299 0.216E-02 0.327E-02 RMM: 9 -0.343545644378E+03 -0.67440E-05 -0.20594E-05 2563 0.130E-02 7130 T= 7051. E= 0.68679613E+03 F= 0.62846947E+03 E0= 0.65748892E+03 EK= 0.58327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343790861621E+03 -0.24522E+00 -0.23470E-01 9120 0.254E+01 0.354E-01 RMM: 2 -0.343805697511E+03 -0.14836E-01 -0.13029E-01 5499 0.764E-01 0.870E-01 RMM: 3 -0.343800040720E+03 0.56568E-02 -0.92175E-03 5415 0.205E-01 0.289E-01 RMM: 4 -0.343800703869E+03 -0.66315E-03 -0.18592E-03 4763 0.102E-01 0.439E-01 RMM: 5 -0.343799426249E+03 0.12776E-02 -0.70757E-04 4580 0.683E-02 0.118E-01 RMM: 6 -0.343799367439E+03 0.58810E-04 -0.12212E-04 3845 0.279E-02 0.809E-02 RMM: 7 -0.343799399554E+03 -0.32115E-04 -0.78317E-05 3635 0.225E-02 0.111E-01 RMM: 8 -0.343799323123E+03 0.76431E-04 -0.52457E-05 3266 0.212E-02 0.357E-02 RMM: 9 -0.343799331221E+03 -0.80982E-05 -0.21314E-05 2563 0.133E-02 7131 T= 7463. E= 0.69023995E+03 F= 0.62849987E+03 E0= 0.65755150E+03 EK= 0.61740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344033665399E+03 -0.23434E+00 -0.25356E-01 8964 0.256E+01 0.356E-01 RMM: 2 -0.344052940188E+03 -0.19275E-01 -0.15254E-01 5406 0.819E-01 0.104E+00 RMM: 3 -0.344044687664E+03 0.82525E-02 -0.11596E-02 5454 0.228E-01 0.274E-01 RMM: 4 -0.344045378117E+03 -0.69045E-03 -0.19789E-03 4894 0.105E-01 0.435E-01 RMM: 5 -0.344044216867E+03 0.11613E-02 -0.64969E-04 4550 0.654E-02 0.159E-01 RMM: 6 -0.344044067713E+03 0.14915E-03 -0.15847E-04 3883 0.320E-02 0.740E-02 RMM: 7 -0.344044152837E+03 -0.85124E-04 -0.11229E-04 3826 0.274E-02 0.137E-01 RMM: 8 -0.344044035866E+03 0.11697E-03 -0.65891E-05 3477 0.234E-02 0.360E-02 RMM: 9 -0.344044037360E+03 -0.14941E-05 -0.18009E-05 2539 0.122E-02 7132 T= 7459. E= 0.69024083E+03 F= 0.62853557E+03 E0= 0.65761003E+03 EK= 0.61705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344286256368E+03 -0.24222E+00 -0.25805E-01 9084 0.251E+01 0.322E-01 RMM: 2 -0.344304677459E+03 -0.18421E-01 -0.15345E-01 5547 0.795E-01 0.934E-01 RMM: 3 -0.344297385562E+03 0.72919E-02 -0.92826E-03 5512 0.205E-01 0.217E-01 RMM: 4 -0.344298008975E+03 -0.62341E-03 -0.16803E-03 4807 0.993E-02 0.390E-01 RMM: 5 -0.344297044211E+03 0.96476E-03 -0.61184E-04 4598 0.639E-02 0.142E-01 RMM: 6 -0.344296978579E+03 0.65632E-04 -0.20134E-04 3885 0.363E-02 0.107E-01 RMM: 7 -0.344297025942E+03 -0.47363E-04 -0.10579E-04 3818 0.285E-02 0.134E-01 RMM: 8 -0.344296910217E+03 0.11573E-03 -0.56518E-05 3368 0.221E-02 0.333E-02 RMM: 9 -0.344296914067E+03 -0.38497E-05 -0.14780E-05 2516 0.109E-02 7133 T= 7041. E= 0.68681491E+03 F= 0.62856751E+03 E0= 0.65765395E+03 EK= 0.58247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344615016373E+03 -0.31811E+00 -0.25294E-01 9096 0.241E+01 0.314E-01 RMM: 2 -0.344635792855E+03 -0.20776E-01 -0.16291E-01 5362 0.834E-01 0.102E+00 RMM: 3 -0.344627250620E+03 0.85422E-02 -0.11578E-02 5527 0.226E-01 0.239E-01 RMM: 4 -0.344627533083E+03 -0.28246E-03 -0.16247E-03 4848 0.957E-02 0.346E-01 RMM: 5 -0.344626845135E+03 0.68795E-03 -0.68388E-04 4608 0.701E-02 0.163E-01 RMM: 6 -0.344626755051E+03 0.90084E-04 -0.25542E-04 3889 0.407E-02 0.120E-01 RMM: 7 -0.344626772576E+03 -0.17524E-04 -0.12618E-04 3874 0.327E-02 7134 T= 6425. E= 0.68168677E+03 F= 0.62853363E+03 E0= 0.65762196E+03 EK= 0.53153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345096101559E+03 -0.46935E+00 -0.23717E-01 9132 0.230E+01 0.335E-01 RMM: 2 -0.345112653672E+03 -0.16552E-01 -0.15349E-01 5398 0.816E-01 0.780E-01 RMM: 3 -0.345107447134E+03 0.52065E-02 -0.10937E-02 5804 0.209E-01 0.252E-01 RMM: 4 -0.345107901541E+03 -0.45441E-03 -0.17009E-03 4819 0.103E-01 0.412E-01 RMM: 5 -0.345106834905E+03 0.10666E-02 -0.98097E-04 4613 0.841E-02 0.138E-01 RMM: 6 -0.345106985065E+03 -0.15016E-03 -0.36464E-04 3980 0.491E-02 0.203E-01 RMM: 7 -0.345106798936E+03 0.18613E-03 -0.16907E-04 3876 0.399E-02 0.119E-01 RMM: 8 -0.345106713314E+03 0.85623E-04 -0.65180E-05 3440 0.232E-02 0.409E-02 RMM: 9 -0.345106740377E+03 -0.27063E-04 -0.28148E-05 2735 0.154E-02 0.682E-02 RMM: 10 -0.345106721059E+03 0.19317E-04 -0.21361E-05 2548 0.147E-02 7135 T= 5867. E= 0.67690022E+03 F= 0.62836387E+03 E0= 0.65744913E+03 EK= 0.48536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345767451113E+03 -0.66071E+00 -0.21800E-01 9036 0.222E+01 0.276E-01 RMM: 2 -0.345783637960E+03 -0.16187E-01 -0.14407E-01 5180 0.806E-01 0.770E-01 RMM: 3 -0.345778730590E+03 0.49074E-02 -0.11614E-02 5810 0.214E-01 0.184E-01 RMM: 4 -0.345778935050E+03 -0.20446E-03 -0.13485E-03 4775 0.916E-02 0.317E-01 RMM: 5 -0.345778349330E+03 0.58572E-03 -0.56583E-04 4604 0.647E-02 0.138E-01 RMM: 6 -0.345778329623E+03 0.19708E-04 -0.24608E-04 3884 0.399E-02 0.130E-01 RMM: 7 -0.345778264162E+03 0.65460E-04 -0.95175E-05 3718 0.307E-02 0.850E-02 RMM: 8 -0.345778220259E+03 0.43903E-04 -0.23779E-05 2824 0.149E-02 0.270E-02 RMM: 9 -0.345778225833E+03 -0.55740E-05 -0.11191E-05 2468 0.966E-03 7136 T= 5532. E= 0.67377897E+03 F= 0.62801509E+03 E0= 0.65709363E+03 EK= 0.45764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346626701853E+03 -0.84848E+00 -0.20163E-01 8976 0.219E+01 0.337E-01 RMM: 2 -0.346639360758E+03 -0.12659E-01 -0.12751E-01 5370 0.740E-01 0.640E-01 RMM: 3 -0.346635953569E+03 0.34072E-02 -0.95804E-03 5629 0.199E-01 0.279E-01 RMM: 4 -0.346636647343E+03 -0.69377E-03 -0.15835E-03 4798 0.996E-02 0.454E-01 RMM: 5 -0.346635257818E+03 0.13895E-02 -0.75599E-04 4589 0.715E-02 0.941E-02 RMM: 6 -0.346635375736E+03 -0.11792E-03 -0.24505E-04 3885 0.393E-02 0.166E-01 RMM: 7 -0.346635230096E+03 0.14564E-03 -0.97901E-05 3753 0.302E-02 0.793E-02 RMM: 8 -0.346635193547E+03 0.36549E-04 -0.26930E-05 2816 0.155E-02 0.318E-02 RMM: 9 -0.346635211284E+03 -0.17737E-04 -0.18775E-05 2534 0.124E-02 7137 T= 5485. E= 0.67286503E+03 F= 0.62748757E+03 E0= 0.65655695E+03 EK= 0.45377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347616635865E+03 -0.98144E+00 -0.19908E-01 9036 0.222E+01 0.319E-01 RMM: 2 -0.347628910843E+03 -0.12275E-01 -0.12684E-01 5126 0.753E-01 0.593E-01 RMM: 3 -0.347626098603E+03 0.28122E-02 -0.10987E-02 5830 0.204E-01 0.271E-01 RMM: 4 -0.347626578024E+03 -0.47942E-03 -0.14753E-03 4747 0.949E-02 0.421E-01 RMM: 5 -0.347625421009E+03 0.11570E-02 -0.65056E-04 4578 0.657E-02 0.106E-01 RMM: 6 -0.347625436863E+03 -0.15854E-04 -0.18248E-04 3883 0.342E-02 7138 T= 5726. E= 0.67419481E+03 F= 0.62682569E+03 E0= 0.65588442E+03 EK= 0.47369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348643554777E+03 -0.10181E+01 -0.19908E-01 9000 0.229E+01 0.436E-01 RMM: 2 -0.348669889942E+03 -0.26335E-01 -0.13446E-01 5185 0.793E-01 0.158E+00 RMM: 3 -0.348652246744E+03 0.17643E-01 -0.15890E-02 5394 0.286E-01 0.300E-01 RMM: 4 -0.348652929921E+03 -0.68318E-03 -0.27669E-03 5145 0.121E-01 0.452E-01 RMM: 5 -0.348651721903E+03 0.12080E-02 -0.78881E-04 4603 0.701E-02 0.203E-01 RMM: 6 -0.348651492753E+03 0.22915E-03 -0.25584E-04 3898 0.412E-02 0.980E-02 RMM: 7 -0.348651586560E+03 -0.93806E-04 -0.15130E-04 3885 0.328E-02 0.155E-01 RMM: 8 -0.348651438396E+03 0.14816E-03 -0.78750E-05 3558 0.258E-02 0.428E-02 RMM: 9 -0.348651439589E+03 -0.11931E-05 -0.22809E-05 2699 0.137E-02 7139 T= 6195. E= 0.67736989E+03 F= 0.62612005E+03 E0= 0.65517047E+03 EK= 0.51250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349570508689E+03 -0.91907E+00 -0.21049E-01 8880 0.240E+01 0.395E-01 RMM: 2 -0.349599605773E+03 -0.29097E-01 -0.15762E-01 5042 0.865E-01 0.158E+00 RMM: 3 -0.349581992255E+03 0.17614E-01 -0.18130E-02 5443 0.289E-01 0.288E-01 RMM: 4 -0.349582377742E+03 -0.38549E-03 -0.28793E-03 5205 0.123E-01 0.403E-01 RMM: 5 -0.349581516912E+03 0.86083E-03 -0.71284E-04 4590 0.685E-02 0.210E-01 RMM: 6 -0.349581218721E+03 0.29819E-03 -0.19320E-04 3890 0.359E-02 0.480E-02 RMM: 7 -0.349581258330E+03 -0.39609E-04 -0.69167E-05 3501 0.213E-02 0.984E-02 RMM: 8 -0.349581196225E+03 0.62105E-04 -0.40617E-05 3080 0.199E-02 0.249E-02 RMM: 9 -0.349581202067E+03 -0.58423E-05 -0.13571E-05 2492 0.105E-02 7140 T= 6755. E= 0.68137791E+03 F= 0.62549927E+03 E0= 0.65454216E+03 EK= 0.55879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350266659250E+03 -0.68546E+00 -0.22695E-01 8508 0.249E+01 0.378E-01 RMM: 2 -0.350290828245E+03 -0.24169E-01 -0.18761E-01 5176 0.923E-01 0.115E+00 RMM: 3 -0.350280795987E+03 0.10032E-01 -0.17387E-02 5628 0.263E-01 0.283E-01 RMM: 4 -0.350281347284E+03 -0.55130E-03 -0.23906E-03 5090 0.116E-01 0.445E-01 RMM: 5 -0.350280086455E+03 0.12608E-02 -0.75542E-04 4574 0.699E-02 0.148E-01 RMM: 6 -0.350279981929E+03 0.10453E-03 -0.16855E-04 3877 0.323E-02 0.942E-02 RMM: 7 -0.350280008478E+03 -0.26549E-04 -0.11520E-04 3880 0.282E-02 0.120E-01 RMM: 8 -0.350279916814E+03 0.91664E-04 -0.57768E-05 3373 0.222E-02 0.326E-02 RMM: 9 -0.350279926746E+03 -0.99325E-05 -0.19505E-05 2551 0.127E-02 7141 T= 7189. E= 0.68456923E+03 F= 0.62509926E+03 E0= 0.65413901E+03 EK= 0.59470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350657540572E+03 -0.37762E+00 -0.23418E-01 8556 0.254E+01 0.332E-01 RMM: 2 -0.350676717322E+03 -0.19177E-01 -0.17710E-01 5262 0.885E-01 0.819E-01 RMM: 3 -0.350670935133E+03 0.57822E-02 -0.14763E-02 5756 0.240E-01 0.246E-01 RMM: 4 -0.350671407312E+03 -0.47218E-03 -0.16816E-03 4949 0.972E-02 0.404E-01 RMM: 5 -0.350670358953E+03 0.10484E-02 -0.60525E-04 4600 0.632E-02 0.141E-01 RMM: 6 -0.350670286744E+03 0.72209E-04 -0.20757E-04 3881 0.368E-02 0.104E-01 RMM: 7 -0.350670325146E+03 -0.38402E-04 -0.10302E-04 3792 0.273E-02 0.131E-01 RMM: 8 -0.350670215735E+03 0.10941E-03 -0.51717E-05 3342 0.209E-02 0.305E-02 RMM: 9 -0.350670223309E+03 -0.75742E-05 -0.17313E-05 2519 0.118E-02 7142 T= 7293. E= 0.68533107E+03 F= 0.62500227E+03 E0= 0.65404605E+03 EK= 0.60329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350767628553E+03 -0.97413E-01 -0.22686E-01 8628 0.252E+01 0.302E-01 RMM: 2 -0.350786783059E+03 -0.19155E-01 -0.17367E-01 5399 0.860E-01 0.787E-01 RMM: 3 -0.350781021041E+03 0.57620E-02 -0.13559E-02 5730 0.222E-01 0.239E-01 RMM: 4 -0.350781130149E+03 -0.10911E-03 -0.15745E-03 4898 0.971E-02 0.337E-01 RMM: 5 -0.350780436308E+03 0.69384E-03 -0.63463E-04 4571 0.663E-02 0.153E-01 RMM: 6 -0.350780382752E+03 0.53556E-04 -0.21403E-04 3881 0.374E-02 0.127E-01 RMM: 7 -0.350780371609E+03 0.11143E-04 -0.12646E-04 3889 0.313E-02 7143 T= 7017. E= 0.68323493E+03 F= 0.62518678E+03 E0= 0.65424481E+03 EK= 0.58048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350731428604E+03 0.48954E-01 -0.21438E-01 8712 0.244E+01 0.315E-01 RMM: 2 -0.350747752128E+03 -0.16324E-01 -0.15896E-01 5298 0.849E-01 0.677E-01 RMM: 3 -0.350743605588E+03 0.41465E-02 -0.12822E-02 5813 0.220E-01 0.247E-01 RMM: 4 -0.350743828309E+03 -0.22272E-03 -0.14195E-03 4872 0.937E-02 0.368E-01 RMM: 5 -0.350742944624E+03 0.88368E-03 -0.72765E-04 4609 0.719E-02 0.140E-01 RMM: 6 -0.350743123269E+03 -0.17864E-03 -0.40144E-04 4085 0.504E-02 0.218E-01 RMM: 7 -0.350742886051E+03 0.23722E-03 -0.19316E-04 3884 0.411E-02 0.107E-01 RMM: 8 -0.350742820793E+03 0.65258E-04 -0.47160E-05 3245 0.200E-02 0.447E-02 RMM: 9 -0.350742840665E+03 -0.19872E-04 -0.30450E-05 2766 0.155E-02 7144 T= 6510. E= 0.67937960E+03 F= 0.62552634E+03 E0= 0.65461110E+03 EK= 0.53853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350717855411E+03 0.24965E-01 -0.19048E-01 8724 0.235E+01 0.268E-01 RMM: 2 -0.350734113003E+03 -0.16258E-01 -0.13708E-01 5215 0.812E-01 0.837E-01 RMM: 3 -0.350728563655E+03 0.55493E-02 -0.12264E-02 5844 0.214E-01 0.214E-01 RMM: 4 -0.350728364678E+03 0.19898E-03 -0.10689E-03 4752 0.789E-02 0.237E-01 RMM: 5 -0.350728050025E+03 0.31465E-03 -0.53406E-04 4585 0.644E-02 0.154E-01 RMM: 6 -0.350728027194E+03 0.22831E-04 -0.28238E-04 3916 0.437E-02 0.144E-01 RMM: 7 -0.350727988787E+03 0.38407E-04 -0.12199E-04 3883 0.321E-02 0.123E-01 RMM: 8 -0.350727893432E+03 0.95355E-04 -0.40314E-05 3148 0.187E-02 0.318E-02 RMM: 9 -0.350727898345E+03 -0.49128E-05 -0.16926E-05 2505 0.116E-02 7145 T= 5999. E= 0.67548057E+03 F= 0.62585384E+03 E0= 0.65497603E+03 EK= 0.49627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350861405413E+03 -0.13351E+00 -0.16725E-01 8748 0.227E+01 0.306E-01 RMM: 2 -0.350871782841E+03 -0.10377E-01 -0.10661E-01 5335 0.699E-01 0.579E-01 RMM: 3 -0.350868848210E+03 0.29346E-02 -0.78679E-03 5772 0.176E-01 0.248E-01 RMM: 4 -0.350869216947E+03 -0.36874E-03 -0.14560E-03 4739 0.974E-02 0.384E-01 RMM: 5 -0.350868251219E+03 0.96573E-03 -0.79840E-04 4608 0.760E-02 0.124E-01 RMM: 6 -0.350868393522E+03 -0.14230E-03 -0.31028E-04 3902 0.451E-02 0.195E-01 RMM: 7 -0.350868201693E+03 0.19183E-03 -0.15603E-04 3880 0.388E-02 0.985E-02 RMM: 8 -0.350868143729E+03 0.57964E-04 -0.38092E-05 3092 0.180E-02 0.377E-02 RMM: 9 -0.350868158531E+03 -0.14803E-04 -0.25400E-05 2574 0.145E-02 7146 T= 5660. E= 0.67285594E+03 F= 0.62603564E+03 E0= 0.65520485E+03 EK= 0.46820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351215559604E+03 -0.34742E+00 -0.15723E-01 8568 0.224E+01 0.304E-01 RMM: 2 -0.351227460814E+03 -0.11901E-01 -0.96639E-02 5265 0.678E-01 0.834E-01 RMM: 3 -0.351222228047E+03 0.52328E-02 -0.82213E-03 5608 0.186E-01 0.239E-01 RMM: 4 -0.351222466556E+03 -0.23851E-03 -0.13988E-03 4699 0.922E-02 0.335E-01 RMM: 5 -0.351221840998E+03 0.62556E-03 -0.66580E-04 4600 0.701E-02 0.175E-01 RMM: 6 -0.351221702284E+03 0.13871E-03 -0.22072E-04 3884 0.384E-02 0.102E-01 RMM: 7 -0.351221748850E+03 -0.46566E-04 -0.11896E-04 3875 0.314E-02 0.133E-01 RMM: 8 -0.351221636638E+03 0.11221E-03 -0.54856E-05 3378 0.222E-02 0.302E-02 RMM: 9 -0.351221646589E+03 -0.99519E-05 -0.16910E-05 2521 0.118E-02 7147 T= 5578. E= 0.67215057E+03 F= 0.62600889E+03 E0= 0.65523310E+03 EK= 0.46142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351768415432E+03 -0.54678E+00 -0.16335E-01 9072 0.226E+01 0.326E-01 RMM: 2 -0.351777777612E+03 -0.93622E-02 -0.90723E-02 5425 0.629E-01 0.681E-01 RMM: 3 -0.351774264168E+03 0.35134E-02 -0.63252E-03 5429 0.170E-01 0.275E-01 RMM: 4 -0.351774905071E+03 -0.64090E-03 -0.15595E-03 4702 0.975E-02 0.420E-01 RMM: 5 -0.351773731831E+03 0.11732E-02 -0.67743E-04 4592 0.678E-02 0.128E-01 RMM: 6 -0.351773679087E+03 0.52745E-04 -0.17282E-04 3880 0.334E-02 0.101E-01 RMM: 7 -0.351773707558E+03 -0.28472E-04 -0.83008E-05 3684 0.257E-02 0.122E-01 RMM: 8 -0.351773611526E+03 0.96032E-04 -0.41700E-05 3162 0.194E-02 0.250E-02 RMM: 9 -0.351773622536E+03 -0.11010E-04 -0.14967E-05 2509 0.107E-02 7148 T= 5767. E= 0.67348976E+03 F= 0.62578150E+03 E0= 0.65506588E+03 EK= 0.47708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352444155983E+03 -0.67054E+00 -0.18557E-01 9180 0.233E+01 0.345E-01 RMM: 2 -0.352455961333E+03 -0.11805E-01 -0.10428E-01 5451 0.677E-01 0.815E-01 RMM: 3 -0.352450947619E+03 0.50137E-02 -0.79177E-03 5508 0.186E-01 0.276E-01 RMM: 4 -0.352451664165E+03 -0.71655E-03 -0.17664E-03 4709 0.103E-01 0.439E-01 RMM: 5 -0.352450423568E+03 0.12406E-02 -0.67781E-04 4575 0.668E-02 0.142E-01 RMM: 6 -0.352450317621E+03 0.10595E-03 -0.14202E-04 3881 0.300E-02 0.767E-02 RMM: 7 -0.352450383823E+03 -0.66201E-04 -0.94100E-05 3768 0.250E-02 0.130E-01 RMM: 8 -0.352450275653E+03 0.10817E-03 -0.54899E-05 3366 0.219E-02 0.265E-02 RMM: 9 -0.352450284692E+03 -0.90388E-05 -0.15702E-05 2519 0.111E-02 7149 T= 6181. E= 0.67655449E+03 F= 0.62542111E+03 E0= 0.65476844E+03 EK= 0.51133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353127548806E+03 -0.67727E+00 -0.21825E-01 9108 0.243E+01 0.365E-01 RMM: 2 -0.353142489386E+03 -0.14941E-01 -0.13332E-01 5415 0.774E-01 0.889E-01 RMM: 3 -0.353136852385E+03 0.56370E-02 -0.10798E-02 5538 0.209E-01 0.291E-01 RMM: 4 -0.353137597281E+03 -0.74490E-03 -0.18944E-03 4774 0.105E-01 0.458E-01 RMM: 5 -0.353136186492E+03 0.14108E-02 -0.71028E-04 4582 0.676E-02 0.129E-01 RMM: 6 -0.353136108349E+03 0.78142E-04 -0.15039E-04 3879 0.306E-02 0.844E-02 RMM: 7 -0.353136167132E+03 -0.58783E-04 -0.10184E-04 3837 0.261E-02 0.131E-01 RMM: 8 -0.353136056886E+03 0.11025E-03 -0.58293E-05 3402 0.215E-02 0.305E-02 RMM: 9 -0.353136066949E+03 -0.10063E-04 -0.19436E-05 2547 0.126E-02 7150 T= 6698. E= 0.68045399E+03 F= 0.62504005E+03 E0= 0.65444964E+03 EK= 0.55414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353697513112E+03 -0.56146E+00 -0.24918E-01 9156 0.252E+01 0.376E-01 RMM: 2 -0.353715955652E+03 -0.18443E-01 -0.15689E-01 5446 0.834E-01 0.988E-01 RMM: 3 -0.353708669277E+03 0.72864E-02 -0.12427E-02 5588 0.225E-01 0.284E-01 RMM: 4 -0.353709437226E+03 -0.76795E-03 -0.20414E-03 4773 0.109E-01 0.464E-01 RMM: 5 -0.353708027063E+03 0.14102E-02 -0.70182E-04 4586 0.667E-02 0.137E-01 RMM: 6 -0.353707931872E+03 0.95191E-04 -0.13971E-04 3877 0.292E-02 0.804E-02 RMM: 7 -0.353708000221E+03 -0.68348E-04 -0.11482E-04 3876 0.270E-02 0.136E-01 RMM: 8 -0.353707883401E+03 0.11682E-03 -0.77469E-05 3609 0.244E-02 0.307E-02 RMM: 9 -0.353707893631E+03 -0.10230E-04 -0.20278E-05 2581 0.130E-02 7151 T= 7124. E= 0.68369432E+03 F= 0.62476224E+03 E0= 0.65422918E+03 EK= 0.58932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354071768078E+03 -0.36388E+00 -0.27672E-01 9132 0.256E+01 0.372E-01 RMM: 2 -0.354092045432E+03 -0.20277E-01 -0.16897E-01 5506 0.856E-01 0.105E+00 RMM: 3 -0.354083935498E+03 0.81099E-02 -0.12307E-02 5719 0.224E-01 0.267E-01 RMM: 4 -0.354084623891E+03 -0.68839E-03 -0.19503E-03 4757 0.106E-01 0.444E-01 RMM: 5 -0.354083328844E+03 0.12950E-02 -0.65753E-04 4574 0.637E-02 0.138E-01 RMM: 6 -0.354083246156E+03 0.82688E-04 -0.17307E-04 3882 0.332E-02 0.918E-02 RMM: 7 -0.354083324320E+03 -0.78164E-04 -0.11715E-04 3877 0.277E-02 0.145E-01 RMM: 8 -0.354083188878E+03 0.13544E-03 -0.68980E-05 3530 0.233E-02 0.322E-02 RMM: 9 -0.354083194321E+03 -0.54427E-05 -0.18029E-05 2542 0.121E-02 7152 T= 7260. E= 0.68473548E+03 F= 0.62467461E+03 E0= 0.65419036E+03 EK= 0.60061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354248542301E+03 -0.16535E+00 -0.29084E-01 9084 0.254E+01 0.350E-01 RMM: 2 -0.354268964582E+03 -0.20422E-01 -0.16992E-01 5566 0.848E-01 0.101E+00 RMM: 3 -0.354261023916E+03 0.79407E-02 -0.11253E-02 5760 0.217E-01 0.249E-01 RMM: 4 -0.354261534810E+03 -0.51089E-03 -0.17382E-03 4711 0.100E-01 0.399E-01 RMM: 5 -0.354260531623E+03 0.10032E-02 -0.59639E-04 4558 0.603E-02 0.151E-01 RMM: 6 -0.354260445084E+03 0.86539E-04 -0.20660E-04 3889 0.369E-02 0.106E-01 RMM: 7 -0.354260526830E+03 -0.81746E-04 -0.12637E-04 3882 0.297E-02 0.154E-01 RMM: 8 -0.354260373748E+03 0.15308E-03 -0.73737E-05 3571 0.246E-02 0.350E-02 RMM: 9 -0.354260375894E+03 -0.21457E-05 -0.17136E-05 2539 0.118E-02 7153 T= 7040. E= 0.68302384E+03 F= 0.62478498E+03 E0= 0.65433987E+03 EK= 0.58239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354305636010E+03 -0.45262E-01 -0.29425E-01 9024 0.247E+01 0.337E-01 RMM: 2 -0.354328997477E+03 -0.23361E-01 -0.17077E-01 5495 0.862E-01 0.118E+00 RMM: 3 -0.354318502931E+03 0.10495E-01 -0.11902E-02 5642 0.226E-01 0.247E-01 RMM: 4 -0.354318639347E+03 -0.13642E-03 -0.16802E-03 4762 0.976E-02 0.327E-01 RMM: 5 -0.354318018500E+03 0.62085E-03 -0.65089E-04 4595 0.663E-02 0.168E-01 RMM: 6 -0.354317935272E+03 0.83228E-04 -0.26527E-04 3898 0.417E-02 0.130E-01 RMM: 7 -0.354317992009E+03 -0.56737E-04 -0.15041E-04 3884 0.342E-02 0.156E-01 RMM: 8 -0.354317831682E+03 0.16033E-03 -0.81393E-05 3625 0.260E-02 0.393E-02 RMM: 9 -0.354317834953E+03 -0.32703E-05 -0.18027E-05 2554 0.122E-02 7154 T= 6578. E= 0.67943772E+03 F= 0.62502076E+03 E0= 0.65460620E+03 EK= 0.54417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354361061104E+03 -0.43229E-01 -0.27603E-01 8964 0.237E+01 0.309E-01 RMM: 2 -0.354381312662E+03 -0.20252E-01 -0.16486E-01 5428 0.853E-01 0.983E-01 RMM: 3 -0.354373729849E+03 0.75828E-02 -0.11209E-02 5667 0.218E-01 0.241E-01 RMM: 4 -0.354373781979E+03 -0.52130E-04 -0.14151E-03 4748 0.914E-02 0.303E-01 RMM: 5 -0.354373241569E+03 0.54041E-03 -0.68327E-04 4585 0.695E-02 0.167E-01 RMM: 6 -0.354373217723E+03 0.23845E-04 -0.33702E-04 3968 0.470E-02 0.158E-01 RMM: 7 -0.354373197166E+03 0.20557E-04 -0.15990E-04 3881 0.370E-02 0.149E-01 RMM: 8 -0.354373055713E+03 0.14145E-03 -0.72167E-05 3546 0.245E-02 0.389E-02 RMM: 9 -0.354373067316E+03 -0.11603E-04 -0.24562E-05 2658 0.142E-02 7155 T= 6081. E= 0.67557577E+03 F= 0.62526776E+03 E0= 0.65487759E+03 EK= 0.50308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354523671027E+03 -0.15062E+00 -0.24816E-01 8928 0.228E+01 0.314E-01 RMM: 2 -0.354545167622E+03 -0.21497E-01 -0.15436E-01 5334 0.837E-01 0.113E+00 RMM: 3 -0.354535444888E+03 0.97227E-02 -0.11592E-02 5602 0.226E-01 0.250E-01 RMM: 4 -0.354535337347E+03 0.10754E-03 -0.14924E-03 4805 0.923E-02 0.272E-01 RMM: 5 -0.354534947729E+03 0.38962E-03 -0.76280E-04 4608 0.757E-02 0.181E-01 RMM: 6 -0.354534891733E+03 0.55996E-04 -0.31643E-04 3919 0.452E-02 0.158E-01 RMM: 7 -0.354534850775E+03 0.40959E-04 -0.16680E-04 3881 0.384E-02 0.137E-01 RMM: 8 -0.354534731841E+03 0.11893E-03 -0.68605E-05 3497 0.242E-02 0.393E-02 RMM: 9 -0.354534745418E+03 -0.13577E-04 -0.22431E-05 2579 0.136E-02 7156 T= 5726. E= 0.67278267E+03 F= 0.62541686E+03 E0= 0.65504726E+03 EK= 0.47366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354868459008E+03 -0.33373E+00 -0.21558E-01 8940 0.223E+01 0.319E-01 RMM: 2 -0.354885790924E+03 -0.17332E-01 -0.13477E-01 5377 0.784E-01 0.985E-01 RMM: 3 -0.354878431295E+03 0.73596E-02 -0.10175E-02 5590 0.213E-01 0.267E-01 RMM: 4 -0.354878392400E+03 0.38895E-04 -0.14089E-03 4745 0.894E-02 0.291E-01 RMM: 5 -0.354877944270E+03 0.44813E-03 -0.71714E-04 4591 0.722E-02 0.189E-01 RMM: 6 -0.354877819659E+03 0.12461E-03 -0.33809E-04 3970 0.478E-02 0.134E-01 RMM: 7 -0.354877863420E+03 -0.43761E-04 -0.14671E-04 3880 0.354E-02 0.158E-01 RMM: 8 -0.354877704159E+03 0.15926E-03 -0.69467E-05 3533 0.244E-02 0.367E-02 RMM: 9 -0.354877716423E+03 -0.12264E-04 -0.22889E-05 2615 0.137E-02 7157 T= 5607. E= 0.67177701E+03 F= 0.62538913E+03 E0= 0.65503718E+03 EK= 0.46388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355423235022E+03 -0.54553E+00 -0.19390E-01 8652 0.223E+01 0.327E-01 RMM: 2 -0.355440271891E+03 -0.17037E-01 -0.11917E-01 5344 0.742E-01 0.107E+00 RMM: 3 -0.355431833032E+03 0.84389E-02 -0.96834E-03 5492 0.214E-01 0.257E-01 RMM: 4 -0.355431956315E+03 -0.12328E-03 -0.16574E-03 4824 0.968E-02 0.316E-01 RMM: 5 -0.355431411379E+03 0.54494E-03 -0.65705E-04 4597 0.689E-02 0.180E-01 RMM: 6 -0.355431269476E+03 0.14190E-03 -0.22629E-04 3892 0.387E-02 0.114E-01 RMM: 7 -0.355431323691E+03 -0.54215E-04 -0.14019E-04 3882 0.334E-02 0.145E-01 RMM: 8 -0.355431189289E+03 0.13440E-03 -0.69248E-05 3489 0.246E-02 0.337E-02 RMM: 9 -0.355431197152E+03 -0.78633E-05 -0.16142E-05 2534 0.114E-02 7158 T= 5754. E= 0.67274754E+03 F= 0.62514919E+03 E0= 0.65481151E+03 EK= 0.47598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356157431109E+03 -0.72624E+00 -0.18676E-01 8268 0.226E+01 0.348E-01 RMM: 2 -0.356173755424E+03 -0.16324E-01 -0.11332E-01 5228 0.741E-01 0.110E+00 RMM: 3 -0.356165258458E+03 0.84970E-02 -0.10509E-02 5547 0.220E-01 0.264E-01 RMM: 4 -0.356165648671E+03 -0.39021E-03 -0.17001E-03 4803 0.972E-02 0.379E-01 RMM: 5 -0.356164823291E+03 0.82538E-03 -0.60934E-04 4588 0.643E-02 0.179E-01 RMM: 6 -0.356164650730E+03 0.17256E-03 -0.21462E-04 3897 0.380E-02 0.922E-02 RMM: 7 -0.356164746578E+03 -0.95847E-04 -0.12897E-04 3888 0.298E-02 0.152E-01 RMM: 8 -0.356164599550E+03 0.14703E-03 -0.74537E-05 3569 0.254E-02 0.372E-02 RMM: 9 -0.356164598051E+03 0.14989E-05 -0.15452E-05 2527 0.114E-02 7159 T= 6131. E= 0.67544179E+03 F= 0.62472174E+03 E0= 0.65439365E+03 EK= 0.50720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356964226721E+03 -0.79963E+00 -0.19246E-01 8244 0.233E+01 0.353E-01 RMM: 2 -0.356980997984E+03 -0.16771E-01 -0.12017E-01 5259 0.749E-01 0.109E+00 RMM: 3 -0.356972378842E+03 0.86191E-02 -0.10544E-02 5505 0.218E-01 0.247E-01 RMM: 4 -0.356973081044E+03 -0.70220E-03 -0.19744E-03 4894 0.106E-01 0.428E-01 RMM: 5 -0.356971899140E+03 0.11819E-02 -0.68320E-04 4589 0.670E-02 0.125E-01 RMM: 6 -0.356971851500E+03 0.47640E-04 -0.15547E-04 3887 0.314E-02 0.103E-01 RMM: 7 -0.356971887054E+03 -0.35554E-04 -0.10797E-04 3882 0.278E-02 0.126E-01 RMM: 8 -0.356971780685E+03 0.10637E-03 -0.58884E-05 3408 0.222E-02 0.282E-02 RMM: 9 -0.356971788035E+03 -0.73505E-05 -0.15242E-05 2515 0.113E-02 7160 T= 6631. E= 0.67906425E+03 F= 0.62420960E+03 E0= 0.65388450E+03 EK= 0.54855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357668146394E+03 -0.69637E+00 -0.20656E-01 8424 0.240E+01 0.387E-01 RMM: 2 -0.357689208472E+03 -0.21062E-01 -0.13929E-01 5364 0.809E-01 0.130E+00 RMM: 3 -0.357677438419E+03 0.11770E-01 -0.12218E-02 5546 0.235E-01 0.273E-01 RMM: 4 -0.357678247587E+03 -0.80917E-03 -0.22295E-03 4876 0.111E-01 0.464E-01 RMM: 5 -0.357676877738E+03 0.13698E-02 -0.69029E-04 4587 0.673E-02 0.148E-01 RMM: 6 -0.357676764705E+03 0.11303E-03 -0.15068E-04 3880 0.310E-02 0.809E-02 RMM: 7 -0.357676838510E+03 -0.73805E-04 -0.11936E-04 3883 0.277E-02 0.139E-01 RMM: 8 -0.357676715057E+03 0.12345E-03 -0.73237E-05 3558 0.244E-02 0.300E-02 RMM: 9 -0.357676725487E+03 -0.10430E-04 -0.18499E-05 2556 0.124E-02 7161 T= 7063. E= 0.68222100E+03 F= 0.62378917E+03 E0= 0.65345946E+03 EK= 0.58432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358082416130E+03 -0.40570E+00 -0.22774E-01 8784 0.244E+01 0.383E-01 RMM: 2 -0.358102417615E+03 -0.20001E-01 -0.15890E-01 5372 0.849E-01 0.109E+00 RMM: 3 -0.358093728729E+03 0.86889E-02 -0.12964E-02 5477 0.241E-01 0.317E-01 RMM: 4 -0.358094299918E+03 -0.57119E-03 -0.23482E-03 4961 0.114E-01 0.445E-01 RMM: 5 -0.358093036225E+03 0.12637E-02 -0.72979E-04 4590 0.685E-02 0.159E-01 RMM: 6 -0.358092906102E+03 0.13012E-03 -0.17036E-04 3886 0.338E-02 0.849E-02 RMM: 7 -0.358092994579E+03 -0.88477E-04 -0.12101E-04 3876 0.285E-02 0.148E-01 RMM: 8 -0.358092856960E+03 0.13762E-03 -0.81753E-05 3639 0.247E-02 0.398E-02 RMM: 9 -0.358092862780E+03 -0.58199E-05 -0.23151E-05 2640 0.139E-02 7162 T= 7222. E= 0.68339283E+03 F= 0.62365083E+03 E0= 0.65330821E+03 EK= 0.59742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358096418330E+03 -0.35614E-02 -0.23519E-01 8544 0.243E+01 0.374E-01 RMM: 2 -0.358119204160E+03 -0.22786E-01 -0.16790E-01 5292 0.851E-01 0.119E+00 RMM: 3 -0.358108446706E+03 0.10757E-01 -0.13245E-02 5507 0.243E-01 0.266E-01 RMM: 4 -0.358109221435E+03 -0.77473E-03 -0.21530E-03 5020 0.109E-01 0.451E-01 RMM: 5 -0.358107963279E+03 0.12582E-02 -0.69592E-04 4594 0.685E-02 0.164E-01 RMM: 6 -0.358107821832E+03 0.14145E-03 -0.17219E-04 3891 0.332E-02 0.873E-02 RMM: 7 -0.358107919449E+03 -0.97617E-04 -0.14756E-04 3884 0.313E-02 0.152E-01 RMM: 8 -0.358107778066E+03 0.14138E-03 -0.89055E-05 3662 0.267E-02 0.381E-02 RMM: 9 -0.358107780129E+03 -0.20625E-05 -0.18469E-05 2555 0.124E-02 7163 T= 7016. E= 0.68195238E+03 F= 0.62391270E+03 E0= 0.65355106E+03 EK= 0.58040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357715075790E+03 0.39270E+00 -0.23103E-01 8484 0.236E+01 0.328E-01 RMM: 2 -0.357733748196E+03 -0.18672E-01 -0.15464E-01 5416 0.798E-01 0.941E-01 RMM: 3 -0.357726306644E+03 0.74416E-02 -0.10351E-02 5403 0.228E-01 0.243E-01 RMM: 4 -0.357726922098E+03 -0.61545E-03 -0.18198E-03 5083 0.102E-01 0.400E-01 RMM: 5 -0.357725905650E+03 0.10164E-02 -0.66440E-04 4590 0.672E-02 0.136E-01 RMM: 6 -0.357725859485E+03 0.46165E-04 -0.18650E-04 3884 0.350E-02 0.112E-01 RMM: 7 -0.357725914298E+03 -0.54813E-04 -0.10768E-04 3855 0.279E-02 0.142E-01 RMM: 8 -0.357725785196E+03 0.12910E-03 -0.59682E-05 3415 0.224E-02 0.304E-02 RMM: 9 -0.357725794164E+03 -0.89675E-05 -0.16349E-05 2523 0.115E-02 7164 T= 6544. E= 0.67871103E+03 F= 0.62457585E+03 E0= 0.65419215E+03 EK= 0.54135E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357028802008E+03 0.69698E+00 -0.22048E-01 8640 0.227E+01 0.320E-01 RMM: 2 -0.357047873739E+03 -0.19072E-01 -0.14251E-01 5426 0.765E-01 0.106E+00 RMM: 3 -0.357039047570E+03 0.88262E-02 -0.95272E-03 5412 0.218E-01 0.256E-01 RMM: 4 -0.357039315127E+03 -0.26756E-03 -0.16222E-03 4890 0.954E-02 0.343E-01 RMM: 5 -0.357038688265E+03 0.62686E-03 -0.61806E-04 4607 0.662E-02 0.182E-01 RMM: 6 -0.357038530843E+03 0.15742E-03 -0.21465E-04 3880 0.378E-02 0.101E-01 RMM: 7 -0.357038598253E+03 -0.67409E-04 -0.12919E-04 3878 0.317E-02 0.141E-01 RMM: 8 -0.357038474208E+03 0.12404E-03 -0.61292E-05 3435 0.233E-02 0.339E-02 RMM: 9 -0.357038481212E+03 -0.70040E-05 -0.17059E-05 2523 0.118E-02 7165 T= 6012. E= 0.67528631E+03 F= 0.62555167E+03 E0= 0.65514747E+03 EK= 0.49735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356150079884E+03 0.88839E+00 -0.20923E-01 8796 0.218E+01 0.305E-01 RMM: 2 -0.356168166995E+03 -0.18087E-01 -0.13507E-01 5620 0.744E-01 0.103E+00 RMM: 3 -0.356159709948E+03 0.84570E-02 -0.83013E-03 5422 0.202E-01 0.220E-01 RMM: 4 -0.356160077924E+03 -0.36798E-03 -0.14640E-03 4746 0.907E-02 0.346E-01 RMM: 5 -0.356159386686E+03 0.69124E-03 -0.64470E-04 4607 0.680E-02 0.151E-01 RMM: 6 -0.356159347075E+03 0.39611E-04 -0.24038E-04 3890 0.398E-02 0.131E-01 RMM: 7 -0.356159360095E+03 -0.13020E-04 -0.11960E-04 3855 0.320E-02 7166 T= 5605. E= 0.67309754E+03 F= 0.62672579E+03 E0= 0.65630607E+03 EK= 0.46372E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355174437500E+03 0.98491E+00 -0.20176E-01 8952 0.214E+01 0.326E-01 RMM: 2 -0.355189516167E+03 -0.15079E-01 -0.13143E-01 5680 0.732E-01 0.832E-01 RMM: 3 -0.355183748944E+03 0.57672E-02 -0.79482E-03 5546 0.187E-01 0.274E-01 RMM: 4 -0.355184125012E+03 -0.37607E-03 -0.15610E-03 4697 0.959E-02 0.383E-01 RMM: 5 -0.355183221884E+03 0.90313E-03 -0.79869E-04 4611 0.748E-02 0.150E-01 RMM: 6 -0.355183252677E+03 -0.30794E-04 -0.28776E-04 3889 0.431E-02 0.167E-01 RMM: 7 -0.355183187667E+03 0.65011E-04 -0.15993E-04 3882 0.375E-02 0.132E-01 RMM: 8 -0.355183083205E+03 0.10446E-03 -0.70503E-05 3465 0.241E-02 0.378E-02 RMM: 9 -0.355183106472E+03 -0.23267E-04 -0.26193E-05 2708 0.148E-02 0.642E-02 RMM: 10 -0.355183090468E+03 0.16004E-04 -0.16581E-05 2514 0.130E-02 7167 T= 5434. E= 0.67294976E+03 F= 0.62799897E+03 E0= 0.65757104E+03 EK= 0.44951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354166144621E+03 0.10170E+01 -0.19688E-01 8964 0.214E+01 0.263E-01 RMM: 2 -0.354182233249E+03 -0.16089E-01 -0.13692E-01 5473 0.758E-01 0.823E-01 RMM: 3 -0.354176653448E+03 0.55798E-02 -0.98567E-03 5742 0.197E-01 0.189E-01 RMM: 4 -0.354176807582E+03 -0.15413E-03 -0.10635E-03 4664 0.757E-02 0.287E-01 RMM: 5 -0.354176359559E+03 0.44802E-03 -0.38661E-04 4261 0.520E-02 0.146E-01 RMM: 6 -0.354176265673E+03 0.93886E-04 -0.17994E-04 3882 0.358E-02 0.860E-02 RMM: 7 -0.354176289956E+03 -0.24282E-04 -0.68360E-05 3521 0.239E-02 0.104E-01 RMM: 8 -0.354176222842E+03 0.67113E-04 -0.29895E-05 2933 0.173E-02 0.285E-02 RMM: 9 -0.354176224280E+03 -0.14375E-05 -0.10601E-05 2471 0.902E-03 7168 T= 5542. E= 0.67514362E+03 F= 0.62929781E+03 E0= 0.65887306E+03 EK= 0.45846E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353183707806E+03 0.99252E+00 -0.18848E-01 9072 0.219E+01 0.318E-01 RMM: 2 -0.353199215986E+03 -0.15508E-01 -0.12541E-01 5784 0.722E-01 0.916E-01 RMM: 3 -0.353192899064E+03 0.63169E-02 -0.80859E-03 5516 0.189E-01 0.238E-01 RMM: 4 -0.353193424328E+03 -0.52526E-03 -0.14446E-03 4627 0.895E-02 0.385E-01 RMM: 5 -0.353192514758E+03 0.90957E-03 -0.53903E-04 4485 0.586E-02 0.146E-01 RMM: 6 -0.353192434588E+03 0.80170E-04 -0.22182E-04 3888 0.384E-02 0.104E-01 RMM: 7 -0.353192514121E+03 -0.79533E-04 -0.10260E-04 3787 0.276E-02 0.152E-01 RMM: 8 -0.353192368646E+03 0.14547E-03 -0.55649E-05 3372 0.220E-02 0.327E-02 RMM: 9 -0.353192371680E+03 -0.30342E-05 -0.16390E-05 2518 0.114E-02 7169 T= 5927. E= 0.67959450E+03 F= 0.63056210E+03 E0= 0.66015200E+03 EK= 0.49032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352273564161E+03 0.91880E+00 -0.20199E-01 9000 0.227E+01 0.296E-01 RMM: 2 -0.352292521963E+03 -0.18958E-01 -0.15256E-01 5407 0.815E-01 0.951E-01 RMM: 3 -0.352285590396E+03 0.69316E-02 -0.11583E-02 5606 0.218E-01 0.234E-01 RMM: 4 -0.352285829128E+03 -0.23873E-03 -0.14967E-03 4709 0.904E-02 0.328E-01 RMM: 5 -0.352285212374E+03 0.61675E-03 -0.44340E-04 4229 0.525E-02 0.155E-01 RMM: 6 -0.352285090440E+03 0.12193E-03 -0.15344E-04 3880 0.330E-02 0.807E-02 RMM: 7 -0.352285167126E+03 -0.76686E-04 -0.10974E-04 3866 0.277E-02 0.132E-01 RMM: 8 -0.352285057462E+03 0.10966E-03 -0.58385E-05 3395 0.226E-02 0.379E-02 RMM: 9 -0.352285054076E+03 0.33866E-05 -0.13664E-05 2504 0.105E-02 7170 T= 6522. E= 0.68568508E+03 F= 0.63173429E+03 E0= 0.66135176E+03 EK= 0.53951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351496865649E+03 0.78819E+00 -0.19963E-01 9012 0.238E+01 0.331E-01 RMM: 2 -0.351517870366E+03 -0.21005E-01 -0.14675E-01 5592 0.789E-01 0.119E+00 RMM: 3 -0.351507623933E+03 0.10246E-01 -0.11150E-02 5506 0.221E-01 0.245E-01 RMM: 4 -0.351508026503E+03 -0.40257E-03 -0.17523E-03 4668 0.962E-02 0.358E-01 RMM: 5 -0.351507263483E+03 0.76302E-03 -0.45579E-04 4060 0.514E-02 0.158E-01 RMM: 6 -0.351507123572E+03 0.13991E-03 -0.15488E-04 3881 0.336E-02 0.767E-02 RMM: 7 -0.351507201430E+03 -0.77858E-04 -0.10407E-04 3797 0.263E-02 0.135E-01 RMM: 8 -0.351507090109E+03 0.11132E-03 -0.65436E-05 3478 0.234E-02 0.427E-02 RMM: 9 -0.351507084760E+03 0.53494E-05 -0.17400E-05 2530 0.120E-02 7171 T= 7154. E= 0.69194743E+03 F= 0.63276152E+03 E0= 0.66241944E+03 EK= 0.59186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350887595405E+03 0.61949E+00 -0.21823E-01 8916 0.246E+01 0.316E-01 RMM: 2 -0.350908919378E+03 -0.21324E-01 -0.16969E-01 5439 0.840E-01 0.103E+00 RMM: 3 -0.350900323610E+03 0.85958E-02 -0.12424E-02 5577 0.225E-01 0.232E-01 RMM: 4 -0.350900825785E+03 -0.50217E-03 -0.18420E-03 4791 0.991E-02 0.384E-01 RMM: 5 -0.350899969944E+03 0.85584E-03 -0.52958E-04 4343 0.575E-02 0.157E-01 RMM: 6 -0.350899822171E+03 0.14777E-03 -0.13279E-04 3873 0.295E-02 0.642E-02 RMM: 7 -0.350899878977E+03 -0.56806E-04 -0.10239E-04 3869 0.264E-02 0.116E-01 RMM: 8 -0.350899794741E+03 0.84236E-04 -0.54272E-05 3337 0.212E-02 0.362E-02 RMM: 9 -0.350899795592E+03 -0.85094E-06 -0.17816E-05 2534 0.120E-02 7172 T= 7563. E= 0.69616928E+03 F= 0.63360642E+03 E0= 0.66331516E+03 EK= 0.62563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350472835921E+03 0.42696E+00 -0.23080E-01 9024 0.249E+01 0.339E-01 RMM: 2 -0.350495729501E+03 -0.22894E-01 -0.16956E-01 5535 0.836E-01 0.117E+00 RMM: 3 -0.350484869733E+03 0.10860E-01 -0.11761E-02 5592 0.226E-01 0.230E-01 RMM: 4 -0.350485392704E+03 -0.52297E-03 -0.19630E-03 4748 0.103E-01 0.382E-01 RMM: 5 -0.350484471921E+03 0.92078E-03 -0.55637E-04 4484 0.583E-02 0.122E-01 RMM: 6 -0.350484396722E+03 0.75198E-04 -0.11190E-04 3841 0.268E-02 0.718E-02 RMM: 7 -0.350484446628E+03 -0.49906E-04 -0.85656E-05 3721 0.236E-02 0.117E-01 RMM: 8 -0.350484363390E+03 0.83238E-04 -0.54366E-05 3338 0.214E-02 0.371E-02 RMM: 9 -0.350484365218E+03 -0.18281E-05 -0.17599E-05 2536 0.120E-02 7173 T= 7532. E= 0.69656581E+03 F= 0.63425448E+03 E0= 0.66401976E+03 EK= 0.62311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350257316710E+03 0.22705E+00 -0.23436E-01 9012 0.245E+01 0.318E-01 RMM: 2 -0.350278269849E+03 -0.20953E-01 -0.17514E-01 5512 0.836E-01 0.970E-01 RMM: 3 -0.350270063948E+03 0.82059E-02 -0.10880E-02 5687 0.217E-01 0.259E-01 RMM: 4 -0.350270339451E+03 -0.27550E-03 -0.16799E-03 4754 0.943E-02 0.353E-01 RMM: 5 -0.350269637786E+03 0.70166E-03 -0.50193E-04 4427 0.564E-02 0.164E-01 RMM: 6 -0.350269484351E+03 0.15344E-03 -0.15016E-04 3880 0.319E-02 0.711E-02 RMM: 7 -0.350269563908E+03 -0.79557E-04 -0.99295E-05 3821 0.259E-02 0.131E-01 RMM: 8 -0.350269456412E+03 0.10750E-03 -0.55897E-05 3355 0.219E-02 0.369E-02 RMM: 9 -0.350269456390E+03 0.22386E-07 -0.17150E-05 2532 0.118E-02 7174 T= 7076. E= 0.69324073E+03 F= 0.63470442E+03 E0= 0.66452574E+03 EK= 0.58536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350253051911E+03 0.16405E-01 -0.22353E-01 9036 0.236E+01 0.308E-01 RMM: 2 -0.350273724229E+03 -0.20672E-01 -0.16112E-01 5626 0.791E-01 0.102E+00 RMM: 3 -0.350264662205E+03 0.90620E-02 -0.97387E-03 5549 0.207E-01 0.227E-01 RMM: 4 -0.350265030659E+03 -0.36845E-03 -0.15963E-03 4730 0.934E-02 0.345E-01 RMM: 5 -0.350264318541E+03 0.71212E-03 -0.49344E-04 4434 0.563E-02 0.148E-01 RMM: 6 -0.350264221444E+03 0.97097E-04 -0.15780E-04 3879 0.324E-02 0.903E-02 RMM: 7 -0.350264286682E+03 -0.65238E-04 -0.11105E-04 3847 0.276E-02 0.134E-01 RMM: 8 -0.350264174002E+03 0.11268E-03 -0.62311E-05 3425 0.234E-02 0.324E-02 RMM: 9 -0.350264177984E+03 -0.39818E-05 -0.14462E-05 2516 0.109E-02 7175 T= 6424. E= 0.68809464E+03 F= 0.63495302E+03 E0= 0.66482527E+03 EK= 0.53142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350466234815E+03 -0.20206E+00 -0.20671E-01 9120 0.226E+01 0.295E-01 RMM: 2 -0.350485054465E+03 -0.18820E-01 -0.14600E-01 5555 0.761E-01 0.990E-01 RMM: 3 -0.350477034839E+03 0.80196E-02 -0.89069E-03 5591 0.198E-01 0.240E-01 RMM: 4 -0.350477174339E+03 -0.13950E-03 -0.14020E-03 4694 0.882E-02 0.306E-01 RMM: 5 -0.350476690981E+03 0.48336E-03 -0.52963E-04 4519 0.601E-02 0.175E-01 RMM: 6 -0.350476540883E+03 0.15010E-03 -0.22349E-04 3888 0.390E-02 0.974E-02 RMM: 7 -0.350476621181E+03 -0.80298E-04 -0.12289E-04 3877 0.306E-02 0.144E-01 RMM: 8 -0.350476493078E+03 0.12810E-03 -0.62116E-05 3428 0.234E-02 0.449E-02 RMM: 9 -0.350476486540E+03 0.65385E-05 -0.16478E-05 2532 0.118E-02 7176 T= 5839. E= 0.68330265E+03 F= 0.63499493E+03 E0= 0.66490987E+03 EK= 0.48308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350889207281E+03 -0.41271E+00 -0.18469E-01 9012 0.218E+01 0.287E-01 RMM: 2 -0.350906551194E+03 -0.17344E-01 -0.12797E-01 5669 0.692E-01 0.989E-01 RMM: 3 -0.350898238078E+03 0.83131E-02 -0.76102E-03 5398 0.192E-01 0.210E-01 RMM: 4 -0.350898708694E+03 -0.47062E-03 -0.14163E-03 4675 0.898E-02 0.353E-01 RMM: 5 -0.350897987242E+03 0.72145E-03 -0.51899E-04 4479 0.588E-02 0.156E-01 RMM: 6 -0.350897894530E+03 0.92713E-04 -0.19925E-04 3890 0.364E-02 0.106E-01 RMM: 7 -0.350897924882E+03 -0.30352E-04 -0.11989E-04 3859 0.302E-02 0.123E-01 RMM: 8 -0.350897830923E+03 0.93959E-04 -0.57763E-05 3376 0.228E-02 0.402E-02 RMM: 9 -0.350897828850E+03 0.20732E-05 -0.12879E-05 2507 0.104E-02 7177 T= 5489. E= 0.68024249E+03 F= 0.63483721E+03 E0= 0.66478573E+03 EK= 0.45405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351487298161E+03 -0.58947E+00 -0.17406E-01 8988 0.214E+01 0.289E-01 RMM: 2 -0.351502329327E+03 -0.15031E-01 -0.11965E-01 5563 0.665E-01 0.894E-01 RMM: 3 -0.351495607585E+03 0.67217E-02 -0.77771E-03 5442 0.187E-01 0.212E-01 RMM: 4 -0.351496072467E+03 -0.46488E-03 -0.14020E-03 4658 0.873E-02 0.353E-01 RMM: 5 -0.351495363595E+03 0.70887E-03 -0.50030E-04 4465 0.579E-02 0.161E-01 RMM: 6 -0.351495229711E+03 0.13388E-03 -0.19162E-04 3888 0.358E-02 0.891E-02 RMM: 7 -0.351495295054E+03 -0.65344E-04 -0.10578E-04 3804 0.282E-02 0.133E-01 RMM: 8 -0.351495185574E+03 0.10948E-03 -0.54619E-05 3342 0.222E-02 0.371E-02 RMM: 9 -0.351495183740E+03 0.18344E-05 -0.14431E-05 2508 0.109E-02 7178 T= 5435. E= 0.67947020E+03 F= 0.63450780E+03 E0= 0.66448047E+03 EK= 0.44962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352198963456E+03 -0.70378E+00 -0.17594E-01 9084 0.216E+01 0.310E-01 RMM: 2 -0.352216274819E+03 -0.17311E-01 -0.12157E-01 5492 0.674E-01 0.106E+00 RMM: 3 -0.352207363641E+03 0.89112E-02 -0.93992E-03 5449 0.201E-01 0.228E-01 RMM: 4 -0.352207856993E+03 -0.49335E-03 -0.17011E-03 4680 0.959E-02 0.373E-01 RMM: 5 -0.352207071510E+03 0.78548E-03 -0.55119E-04 4457 0.596E-02 0.165E-01 RMM: 6 -0.352206922200E+03 0.14931E-03 -0.14790E-04 3882 0.316E-02 0.734E-02 RMM: 7 -0.352206971001E+03 -0.48801E-04 -0.99528E-05 3758 0.263E-02 0.113E-01 RMM: 8 -0.352206895454E+03 0.75547E-04 -0.49650E-05 3270 0.214E-02 0.429E-02 RMM: 9 -0.352206888529E+03 0.69243E-05 -0.12736E-05 2501 0.103E-02 7179 T= 5678. E= 0.68103657E+03 F= 0.63406171E+03 E0= 0.66404941E+03 EK= 0.46975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352931856257E+03 -0.72496E+00 -0.19060E-01 9132 0.223E+01 0.311E-01 RMM: 2 -0.352947691625E+03 -0.15835E-01 -0.13147E-01 5478 0.701E-01 0.887E-01 RMM: 3 -0.352941113766E+03 0.65779E-02 -0.98232E-03 5414 0.206E-01 0.239E-01 RMM: 4 -0.352941775559E+03 -0.66179E-03 -0.16281E-03 4678 0.910E-02 0.404E-01 RMM: 5 -0.352940776061E+03 0.99950E-03 -0.51463E-04 4362 0.565E-02 0.139E-01 RMM: 6 -0.352940667000E+03 0.10906E-03 -0.13299E-04 3881 0.299E-02 0.706E-02 RMM: 7 -0.352940713717E+03 -0.46717E-04 -0.83537E-05 3669 0.241E-02 0.113E-01 RMM: 8 -0.352940636536E+03 0.77181E-04 -0.47232E-05 3224 0.206E-02 0.362E-02 RMM: 9 -0.352940635741E+03 0.79552E-06 -0.17539E-05 2533 0.121E-02 7180 T= 6163. E= 0.68456593E+03 F= 0.63358546E+03 E0= 0.66357849E+03 EK= 0.50980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353568932302E+03 -0.62830E+00 -0.21683E-01 9072 0.233E+01 0.321E-01 RMM: 2 -0.353587267346E+03 -0.18335E-01 -0.14849E-01 5544 0.760E-01 0.957E-01 RMM: 3 -0.353579782463E+03 0.74849E-02 -0.10908E-02 5498 0.210E-01 0.240E-01 RMM: 4 -0.353580356971E+03 -0.57451E-03 -0.18575E-03 4724 0.996E-02 0.397E-01 RMM: 5 -0.353579392769E+03 0.96420E-03 -0.60538E-04 4482 0.617E-02 0.134E-01 RMM: 6 -0.353579291791E+03 0.10098E-03 -0.10319E-04 3767 0.259E-02 0.611E-02 RMM: 7 -0.353579320111E+03 -0.28320E-04 -0.71939E-05 3557 0.217E-02 0.980E-02 RMM: 8 -0.353579263618E+03 0.56493E-04 -0.42964E-05 3136 0.198E-02 0.333E-02 RMM: 9 -0.353579269054E+03 -0.54362E-05 -0.16468E-05 2513 0.115E-02 7181 T= 6752. E= 0.68904869E+03 F= 0.63319338E+03 E0= 0.66318209E+03 EK= 0.55855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353989888528E+03 -0.41062E+00 -0.24327E-01 8868 0.241E+01 0.311E-01 RMM: 2 -0.354007330996E+03 -0.17442E-01 -0.16854E-01 5672 0.787E-01 0.695E-01 RMM: 3 -0.354002174312E+03 0.51567E-02 -0.99688E-03 5456 0.207E-01 0.252E-01 RMM: 4 -0.354002674465E+03 -0.50015E-03 -0.14385E-03 4697 0.833E-02 0.386E-01 RMM: 5 -0.354001694695E+03 0.97977E-03 -0.50044E-04 4394 0.555E-02 0.962E-02 RMM: 6 -0.354001660889E+03 0.33806E-04 -0.99199E-05 3772 0.252E-02 0.750E-02 RMM: 7 -0.354001674913E+03 -0.14024E-04 -0.64574E-05 3506 0.211E-02 7182 T= 7223. E= 0.69276191E+03 F= 0.63300757E+03 E0= 0.66298166E+03 EK= 0.59754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354115678587E+03 -0.11402E+00 -0.27014E-01 8832 0.245E+01 0.317E-01 RMM: 2 -0.354137497646E+03 -0.21819E-01 -0.18921E-01 5663 0.832E-01 0.907E-01 RMM: 3 -0.354129589789E+03 0.79079E-02 -0.10326E-02 5555 0.211E-01 0.257E-01 RMM: 4 -0.354129976660E+03 -0.38687E-03 -0.17821E-03 4786 0.979E-02 0.377E-01 RMM: 5 -0.354129094118E+03 0.88254E-03 -0.56304E-04 4481 0.597E-02 0.129E-01 RMM: 6 -0.354129022676E+03 0.71442E-04 -0.13385E-04 3879 0.299E-02 0.854E-02 RMM: 7 -0.354129081616E+03 -0.58941E-04 -0.98483E-05 3790 0.250E-02 0.128E-01 RMM: 8 -0.354128978404E+03 0.10321E-03 -0.63993E-05 3464 0.231E-02 0.378E-02 RMM: 9 -0.354128977060E+03 0.13434E-05 -0.17271E-05 2530 0.121E-02 7183 T= 7352. E= 0.69393499E+03 F= 0.63311105E+03 E0= 0.66306218E+03 EK= 0.60824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353952472773E+03 0.17651E+00 -0.28555E-01 8724 0.243E+01 0.293E-01 RMM: 2 -0.353976402404E+03 -0.23930E-01 -0.19193E-01 5872 0.844E-01 0.102E+00 RMM: 3 -0.353967166798E+03 0.92356E-02 -0.10010E-02 5402 0.223E-01 0.219E-01 RMM: 4 -0.353967654489E+03 -0.48769E-03 -0.15799E-03 4840 0.902E-02 0.361E-01 RMM: 5 -0.353966817033E+03 0.83746E-03 -0.48306E-04 4500 0.565E-02 0.117E-01 RMM: 6 -0.353966765697E+03 0.51336E-04 -0.14422E-04 3879 0.312E-02 0.827E-02 RMM: 7 -0.353966816944E+03 -0.51247E-04 -0.75452E-05 3594 0.229E-02 0.122E-01 RMM: 8 -0.353966723325E+03 0.93619E-04 -0.47848E-05 3215 0.210E-02 0.305E-02 RMM: 9 -0.353966723883E+03 -0.55751E-06 -0.12806E-05 2486 0.101E-02 7184 T= 7073. E= 0.69201567E+03 F= 0.63350395E+03 E0= 0.66342639E+03 EK= 0.58512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353596115039E+03 0.37061E+00 -0.27168E-01 8724 0.234E+01 0.269E-01 RMM: 2 -0.353616549592E+03 -0.20435E-01 -0.17592E-01 5927 0.812E-01 0.838E-01 RMM: 3 -0.353609716203E+03 0.68334E-02 -0.85726E-03 5479 0.202E-01 0.216E-01 RMM: 4 -0.353609800689E+03 -0.84486E-04 -0.13030E-03 4741 0.833E-02 0.275E-01 RMM: 5 -0.353609386838E+03 0.41385E-03 -0.47378E-04 4514 0.576E-02 0.152E-01 RMM: 6 -0.353609304790E+03 0.82048E-04 -0.17860E-04 3881 0.348E-02 0.105E-01 RMM: 7 -0.353609344417E+03 -0.39627E-04 -0.10651E-04 3874 0.285E-02 0.128E-01 RMM: 8 -0.353609237612E+03 0.10680E-03 -0.53292E-05 3334 0.217E-02 0.312E-02 RMM: 9 -0.353609240756E+03 -0.31439E-05 -0.14236E-05 2498 0.106E-02 7185 T= 6532. E= 0.68813705E+03 F= 0.63409704E+03 E0= 0.66398829E+03 EK= 0.54040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353185221206E+03 0.42402E+00 -0.24521E-01 8868 0.224E+01 0.269E-01 RMM: 2 -0.353206202465E+03 -0.20981E-01 -0.16567E-01 5610 0.809E-01 0.967E-01 RMM: 3 -0.353197930189E+03 0.82723E-02 -0.97302E-03 5469 0.213E-01 0.231E-01 RMM: 4 -0.353197822094E+03 0.10810E-03 -0.12156E-03 4712 0.783E-02 0.230E-01 RMM: 5 -0.353197535537E+03 0.28656E-03 -0.49153E-04 4579 0.607E-02 0.143E-01 RMM: 6 -0.353197487909E+03 0.47628E-04 -0.18924E-04 3882 0.351E-02 0.118E-01 RMM: 7 -0.353197520568E+03 -0.32659E-04 -0.11650E-04 3842 0.296E-02 0.136E-01 RMM: 8 -0.353197404508E+03 0.11606E-03 -0.59664E-05 3412 0.227E-02 0.319E-02 RMM: 9 -0.353197409353E+03 -0.48454E-05 -0.13244E-05 2494 0.102E-02 7186 T= 5973. E= 0.68416343E+03 F= 0.63475214E+03 E0= 0.66461332E+03 EK= 0.49411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352858407840E+03 0.33900E+00 -0.20801E-01 8940 0.215E+01 0.265E-01 RMM: 2 -0.352876668324E+03 -0.18260E-01 -0.14380E-01 5653 0.750E-01 0.919E-01 RMM: 3 -0.352869252064E+03 0.74163E-02 -0.84415E-03 5494 0.193E-01 0.219E-01 RMM: 4 -0.352869191279E+03 0.60785E-04 -0.11547E-03 4683 0.776E-02 0.239E-01 RMM: 5 -0.352868926209E+03 0.26507E-03 -0.49966E-04 4591 0.613E-02 0.164E-01 RMM: 6 -0.352868829494E+03 0.96715E-04 -0.21735E-04 3883 0.379E-02 0.113E-01 RMM: 7 -0.352868870664E+03 -0.41170E-04 -0.11655E-04 3860 0.305E-02 0.138E-01 RMM: 8 -0.352868752312E+03 0.11835E-03 -0.56526E-05 3387 0.220E-02 0.315E-02 RMM: 9 -0.352868759189E+03 -0.68771E-05 -0.13813E-05 2502 0.105E-02 7187 T= 5587. E= 0.68154787E+03 F= 0.63533091E+03 E0= 0.66516446E+03 EK= 0.46217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352716383687E+03 0.15237E+00 -0.18517E-01 9024 0.210E+01 0.266E-01 RMM: 2 -0.352733645470E+03 -0.17262E-01 -0.13154E-01 5360 0.735E-01 0.945E-01 RMM: 3 -0.352726328068E+03 0.73174E-02 -0.93879E-03 5492 0.204E-01 0.234E-01 RMM: 4 -0.352726246970E+03 0.81098E-04 -0.11945E-03 4708 0.790E-02 0.241E-01 RMM: 5 -0.352725971252E+03 0.27572E-03 -0.47485E-04 4562 0.591E-02 0.162E-01 RMM: 6 -0.352725850087E+03 0.12117E-03 -0.17440E-04 3880 0.339E-02 0.920E-02 RMM: 7 -0.352725894318E+03 -0.44231E-04 -0.96243E-05 3752 0.274E-02 0.122E-01 RMM: 8 -0.352725801334E+03 0.92983E-04 -0.45766E-05 3251 0.206E-02 0.303E-02 RMM: 9 -0.352725805020E+03 -0.36861E-05 -0.12218E-05 2486 0.982E-03 7188 T= 5474. E= 0.68101009E+03 F= 0.63572677E+03 E0= 0.66553697E+03 EK= 0.45283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352819998974E+03 -0.94198E-01 -0.17253E-01 8976 0.211E+01 0.277E-01 RMM: 2 -0.352834935209E+03 -0.14936E-01 -0.11646E-01 5472 0.683E-01 0.889E-01 RMM: 3 -0.352828422974E+03 0.65122E-02 -0.78220E-03 5520 0.187E-01 0.223E-01 RMM: 4 -0.352828539752E+03 -0.11678E-03 -0.12055E-03 4667 0.808E-02 0.283E-01 RMM: 5 -0.352828128754E+03 0.41100E-03 -0.41295E-04 4275 0.533E-02 0.160E-01 RMM: 6 -0.352827991987E+03 0.13677E-03 -0.15163E-04 3875 0.330E-02 0.737E-02 RMM: 7 -0.352828053472E+03 -0.61485E-04 -0.82822E-05 3608 0.246E-02 0.122E-01 RMM: 8 -0.352827962091E+03 0.91381E-04 -0.44978E-05 3215 0.210E-02 0.302E-02 RMM: 9 -0.352827962937E+03 -0.84572E-06 -0.11110E-05 2480 0.945E-03 7189 T= 5663. E= 0.68272655E+03 F= 0.63587451E+03 E0= 0.66566541E+03 EK= 0.46852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353184992088E+03 -0.35703E+00 -0.17562E-01 9048 0.216E+01 0.283E-01 RMM: 2 -0.353200261602E+03 -0.15270E-01 -0.11832E-01 5548 0.662E-01 0.910E-01 RMM: 3 -0.353193102293E+03 0.71593E-02 -0.72440E-03 5412 0.184E-01 0.225E-01 RMM: 4 -0.353193452639E+03 -0.35035E-03 -0.13839E-03 4670 0.860E-02 0.330E-01 RMM: 5 -0.353192828087E+03 0.62455E-03 -0.42430E-04 4088 0.523E-02 0.149E-01 RMM: 6 -0.353192697896E+03 0.13019E-03 -0.11767E-04 3847 0.292E-02 0.604E-02 RMM: 7 -0.353192746907E+03 -0.49011E-04 -0.74436E-05 3556 0.230E-02 0.106E-01 RMM: 8 -0.353192677222E+03 0.69685E-04 -0.40206E-05 3109 0.201E-02 0.286E-02 RMM: 9 -0.353192680031E+03 -0.28090E-05 -0.12576E-05 2483 0.101E-02 7190 T= 6126. E= 0.68642839E+03 F= 0.63575143E+03 E0= 0.66552777E+03 EK= 0.50677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353784471357E+03 -0.59179E+00 -0.19450E-01 9144 0.226E+01 0.300E-01 RMM: 2 -0.353800630981E+03 -0.16160E-01 -0.13371E-01 5575 0.705E-01 0.885E-01 RMM: 3 -0.353793775062E+03 0.68559E-02 -0.84008E-03 5487 0.191E-01 0.226E-01 RMM: 4 -0.353794222836E+03 -0.44777E-03 -0.15250E-03 4671 0.898E-02 0.357E-01 RMM: 5 -0.353793461042E+03 0.76179E-03 -0.46957E-04 4163 0.544E-02 0.135E-01 RMM: 6 -0.353793353585E+03 0.10746E-03 -0.10390E-04 3796 0.272E-02 0.574E-02 RMM: 7 -0.353793391868E+03 -0.38282E-04 -0.62794E-05 3444 0.210E-02 0.996E-02 RMM: 8 -0.353793332457E+03 0.59411E-04 -0.38592E-05 3048 0.194E-02 0.307E-02 RMM: 9 -0.353793337106E+03 -0.46495E-05 -0.15304E-05 2496 0.111E-02 7191 T= 6747. E= 0.69119825E+03 F= 0.63538143E+03 E0= 0.66514749E+03 EK= 0.55817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354541859471E+03 -0.74853E+00 -0.22266E-01 9120 0.235E+01 0.308E-01 RMM: 2 -0.354560584991E+03 -0.18726E-01 -0.16195E-01 5582 0.770E-01 0.883E-01 RMM: 3 -0.354553317937E+03 0.72671E-02 -0.93748E-03 5530 0.203E-01 0.248E-01 RMM: 4 -0.354553788328E+03 -0.47039E-03 -0.16634E-03 4709 0.940E-02 0.374E-01 RMM: 5 -0.354552928453E+03 0.85987E-03 -0.51362E-04 4275 0.567E-02 0.134E-01 RMM: 6 -0.354552822141E+03 0.10631E-03 -0.10676E-04 3797 0.269E-02 0.576E-02 RMM: 7 -0.354552851131E+03 -0.28990E-04 -0.59258E-05 3392 0.206E-02 0.929E-02 RMM: 8 -0.354552799236E+03 0.51895E-04 -0.39903E-05 3039 0.193E-02 0.322E-02 RMM: 9 -0.354552806798E+03 -0.75618E-05 -0.19427E-05 2527 0.125E-02 7192 T= 7304. E= 0.69526703E+03 F= 0.63484253E+03 E0= 0.66460294E+03 EK= 0.60425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355345941215E+03 -0.79314E+00 -0.24780E-01 9132 0.241E+01 0.311E-01 RMM: 2 -0.355366432915E+03 -0.20492E-01 -0.18382E-01 5633 0.809E-01 0.856E-01 RMM: 3 -0.355359052248E+03 0.73807E-02 -0.99468E-03 5636 0.205E-01 0.232E-01 RMM: 4 -0.355359520586E+03 -0.46834E-03 -0.16696E-03 4687 0.935E-02 0.372E-01 RMM: 5 -0.355358650109E+03 0.87048E-03 -0.53731E-04 4353 0.577E-02 0.115E-01 RMM: 6 -0.355358581916E+03 0.68193E-04 -0.98312E-05 3779 0.255E-02 0.636E-02 RMM: 7 -0.355358610465E+03 -0.28549E-04 -0.58045E-05 3382 0.201E-02 0.971E-02 RMM: 8 -0.355358555025E+03 0.55440E-04 -0.40837E-05 3070 0.195E-02 0.329E-02 RMM: 9 -0.355358564667E+03 -0.96417E-05 -0.19174E-05 2533 0.122E-02 7193 T= 7530. E= 0.69654411E+03 F= 0.63425143E+03 E0= 0.66400938E+03 EK= 0.62293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356085091959E+03 -0.72654E+00 -0.26067E-01 9108 0.241E+01 0.300E-01 RMM: 2 -0.356106577067E+03 -0.21485E-01 -0.18824E-01 5746 0.796E-01 0.880E-01 RMM: 3 -0.356098481573E+03 0.80955E-02 -0.93384E-03 5558 0.202E-01 0.240E-01 RMM: 4 -0.356098844404E+03 -0.36283E-03 -0.16270E-03 4682 0.917E-02 0.347E-01 RMM: 5 -0.356098143447E+03 0.70096E-03 -0.47456E-04 4161 0.536E-02 0.148E-01 RMM: 6 -0.356098017581E+03 0.12587E-03 -0.12712E-04 3868 0.299E-02 0.656E-02 RMM: 7 -0.356098071773E+03 -0.54192E-04 -0.82303E-05 3691 0.238E-02 0.112E-01 RMM: 8 -0.356097993614E+03 0.78159E-04 -0.45476E-05 3170 0.205E-02 0.321E-02 RMM: 9 -0.356097998993E+03 -0.53797E-05 -0.18918E-05 2524 0.124E-02 7194 T= 7295. E= 0.69407341E+03 F= 0.63372677E+03 E0= 0.66348533E+03 EK= 0.60347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356695041957E+03 -0.59705E+00 -0.25149E-01 9060 0.235E+01 0.275E-01 RMM: 2 -0.356715551769E+03 -0.20510E-01 -0.17888E-01 5894 0.771E-01 0.850E-01 RMM: 3 -0.356707963129E+03 0.75886E-02 -0.79529E-03 5603 0.188E-01 0.213E-01 RMM: 4 -0.356708171391E+03 -0.20826E-03 -0.13446E-03 4663 0.841E-02 0.296E-01 RMM: 5 -0.356707638819E+03 0.53257E-03 -0.41885E-04 4084 0.521E-02 0.127E-01 RMM: 6 -0.356707585915E+03 0.52904E-04 -0.14029E-04 3876 0.318E-02 0.936E-02 RMM: 7 -0.356707622373E+03 -0.36458E-04 -0.85182E-05 3691 0.243E-02 0.120E-01 RMM: 8 -0.356707533172E+03 0.89201E-04 -0.48716E-05 3241 0.212E-02 0.300E-02 RMM: 9 -0.356707538453E+03 -0.52812E-05 -0.14495E-05 2500 0.108E-02 7195 T= 6719. E= 0.68892163E+03 F= 0.63333803E+03 E0= 0.66309930E+03 EK= 0.55584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357175574142E+03 -0.46804E+00 -0.23194E-01 8988 0.225E+01 0.262E-01 RMM: 2 -0.357195779238E+03 -0.20205E-01 -0.16735E-01 5828 0.761E-01 0.899E-01 RMM: 3 -0.357187962480E+03 0.78168E-02 -0.81048E-03 5532 0.191E-01 0.215E-01 RMM: 4 -0.357187958594E+03 0.38863E-05 -0.11814E-03 4663 0.769E-02 0.247E-01 RMM: 5 -0.357187640378E+03 0.31822E-03 -0.44113E-04 4443 0.559E-02 0.150E-01 RMM: 6 -0.357187568376E+03 0.72002E-04 -0.19259E-04 3883 0.357E-02 0.111E-01 RMM: 7 -0.357187614993E+03 -0.46617E-04 -0.11235E-04 3876 0.291E-02 0.137E-01 RMM: 8 -0.357187494042E+03 0.12095E-03 -0.55949E-05 3367 0.220E-02 0.313E-02 RMM: 9 -0.357187500243E+03 -0.62018E-05 -0.16765E-05 2517 0.115E-02 7196 T= 6067. E= 0.68327646E+03 F= 0.63308867E+03 E0= 0.66285558E+03 EK= 0.50188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357572433065E+03 -0.38494E+00 -0.21228E-01 9000 0.215E+01 0.250E-01 RMM: 2 -0.357591779240E+03 -0.19346E-01 -0.15484E-01 5753 0.749E-01 0.919E-01 RMM: 3 -0.357584153180E+03 0.76261E-02 -0.79839E-03 5504 0.185E-01 0.200E-01 RMM: 4 -0.357584095959E+03 0.57221E-04 -0.10808E-03 4649 0.749E-02 0.224E-01 RMM: 5 -0.357583772452E+03 0.32351E-03 -0.44757E-04 4487 0.571E-02 0.119E-01 RMM: 6 -0.357583845615E+03 -0.73163E-04 -0.21431E-04 3887 0.372E-02 0.159E-01 RMM: 7 -0.357583757603E+03 0.88011E-04 -0.10591E-04 3850 0.295E-02 0.111E-01 RMM: 8 -0.357583682197E+03 0.75406E-04 -0.42083E-05 3192 0.187E-02 0.324E-02 RMM: 9 -0.357583693526E+03 -0.11328E-04 -0.17203E-05 2518 0.116E-02 7197 T= 5565. E= 0.67896684E+03 F= 0.63293310E+03 E0= 0.66270924E+03 EK= 0.46034E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357946497021E+03 -0.36281E+00 -0.18680E-01 9000 0.209E+01 0.247E-01 RMM: 2 -0.357963045127E+03 -0.16548E-01 -0.13644E-01 5844 0.699E-01 0.832E-01 RMM: 3 -0.357956656344E+03 0.63888E-02 -0.69754E-03 5429 0.177E-01 0.210E-01 RMM: 4 -0.357956630363E+03 0.25981E-04 -0.10330E-03 4673 0.719E-02 0.232E-01 RMM: 5 -0.357956306510E+03 0.32385E-03 -0.42852E-04 4427 0.557E-02 0.132E-01 RMM: 6 -0.357956325251E+03 -0.18741E-04 -0.20384E-04 3888 0.363E-02 0.144E-01 RMM: 7 -0.357956293951E+03 0.31300E-04 -0.11179E-04 3879 0.300E-02 0.126E-01 RMM: 8 -0.357956192373E+03 0.10158E-03 -0.49979E-05 3297 0.204E-02 0.303E-02 RMM: 9 -0.357956202816E+03 -0.10443E-04 -0.21069E-05 2544 0.128E-02 7198 T= 5333. E= 0.67692798E+03 F= 0.63280760E+03 E0= 0.66259860E+03 EK= 0.44120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358349553698E+03 -0.39336E+00 -0.16918E-01 8916 0.209E+01 0.242E-01 RMM: 2 -0.358363235706E+03 -0.13682E-01 -0.12160E-01 5778 0.658E-01 0.681E-01 RMM: 3 -0.358358482060E+03 0.47536E-02 -0.63751E-03 5475 0.166E-01 0.209E-01 RMM: 4 -0.358358532137E+03 -0.50077E-04 -0.96937E-04 4644 0.716E-02 0.251E-01 RMM: 5 -0.358358104620E+03 0.42752E-03 -0.39652E-04 4199 0.526E-02 0.105E-01 RMM: 6 -0.358358166053E+03 -0.61433E-04 -0.19635E-04 3880 0.365E-02 0.144E-01 RMM: 7 -0.358358114623E+03 0.51430E-04 -0.93505E-05 3749 0.272E-02 0.114E-01 RMM: 8 -0.358358031752E+03 0.82871E-04 -0.44325E-05 3226 0.193E-02 0.292E-02 RMM: 9 -0.358358038104E+03 -0.63512E-05 -0.14568E-05 2492 0.108E-02 7199 T= 5415. E= 0.67744722E+03 F= 0.63265289E+03 E0= 0.66246535E+03 EK= 0.44794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358815723109E+03 -0.45769E+00 -0.15864E-01 8892 0.213E+01 0.263E-01 RMM: 2 -0.358829692986E+03 -0.13970E-01 -0.11114E-01 5624 0.637E-01 0.839E-01 RMM: 3 -0.358823500754E+03 0.61922E-02 -0.68450E-03 5576 0.172E-01 0.205E-01 RMM: 4 -0.358823700297E+03 -0.19954E-03 -0.11072E-03 4646 0.764E-02 0.284E-01 RMM: 5 -0.358823202331E+03 0.49797E-03 -0.37401E-04 4012 0.497E-02 0.131E-01 RMM: 6 -0.358823131641E+03 0.70690E-04 -0.14684E-04 3885 0.329E-02 0.878E-02 RMM: 7 -0.358823194745E+03 -0.63104E-04 -0.97140E-05 3781 0.258E-02 0.132E-01 RMM: 8 -0.358823082625E+03 0.11212E-03 -0.54986E-05 3335 0.223E-02 0.303E-02 RMM: 9 -0.358823082192E+03 0.43363E-06 -0.11983E-05 2486 0.972E-03 7200 T= 5801. E= 0.68042081E+03 F= 0.63242846E+03 E0= 0.66227002E+03 EK= 0.47992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359351716850E+03 -0.52863E+00 -0.15993E-01 8700 0.223E+01 0.276E-01 RMM: 2 -0.359366700250E+03 -0.14983E-01 -0.10933E-01 5408 0.652E-01 0.952E-01 RMM: 3 -0.359359386905E+03 0.73133E-02 -0.77240E-03 5442 0.185E-01 0.206E-01 RMM: 4 -0.359359718804E+03 -0.33190E-03 -0.13519E-03 4660 0.846E-02 0.311E-01 RMM: 5 -0.359359114125E+03 0.60468E-03 -0.39245E-04 4037 0.498E-02 0.131E-01 RMM: 6 -0.359359021143E+03 0.92982E-04 -0.11843E-04 3856 0.296E-02 0.663E-02 RMM: 7 -0.359359082857E+03 -0.61714E-04 -0.83784E-05 3663 0.240E-02 0.119E-01 RMM: 8 -0.359358992555E+03 0.90302E-04 -0.46213E-05 3212 0.204E-02 0.292E-02 RMM: 9 -0.359358991249E+03 0.13060E-05 -0.11855E-05 2478 0.973E-03 7201 T= 6422. E= 0.68524704E+03 F= 0.63212204E+03 E0= 0.66200067E+03 EK= 0.53125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359923649623E+03 -0.56466E+00 -0.17435E-01 8748 0.234E+01 0.299E-01 RMM: 2 -0.359939317392E+03 -0.15668E-01 -0.11280E-01 5370 0.687E-01 0.101E+00 RMM: 3 -0.359931563434E+03 0.77540E-02 -0.87948E-03 5537 0.196E-01 0.222E-01 RMM: 4 -0.359931950810E+03 -0.38738E-03 -0.14930E-03 4682 0.895E-02 0.340E-01 RMM: 5 -0.359931247621E+03 0.70319E-03 -0.42827E-04 4113 0.522E-02 0.139E-01 RMM: 6 -0.359931130031E+03 0.11759E-03 -0.10176E-04 3769 0.276E-02 0.553E-02 RMM: 7 -0.359931175084E+03 -0.45052E-04 -0.74870E-05 3566 0.226E-02 0.104E-01 RMM: 8 -0.359931107434E+03 0.67649E-04 -0.48480E-05 3199 0.202E-02 0.306E-02 RMM: 9 -0.359931106952E+03 0.48230E-06 -0.15465E-05 2493 0.114E-02 7202 T= 7096. E= 0.69047105E+03 F= 0.63176731E+03 E0= 0.66169072E+03 EK= 0.58704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360447756627E+03 -0.51665E+00 -0.20340E-01 8868 0.244E+01 0.286E-01 RMM: 2 -0.360461661587E+03 -0.13905E-01 -0.13249E-01 5365 0.749E-01 0.694E-01 RMM: 3 -0.360457631853E+03 0.40297E-02 -0.91559E-03 5629 0.192E-01 0.240E-01 RMM: 4 -0.360458038149E+03 -0.40630E-03 -0.12556E-03 4670 0.832E-02 0.366E-01 RMM: 5 -0.360457152307E+03 0.88584E-03 -0.46725E-04 4264 0.548E-02 0.871E-02 RMM: 6 -0.360457121330E+03 0.30977E-04 -0.77299E-05 3563 0.231E-02 0.656E-02 RMM: 7 -0.360457141943E+03 -0.20613E-04 -0.64865E-05 3538 0.212E-02 0.912E-02 RMM: 8 -0.360457088171E+03 0.53772E-04 -0.37553E-05 2975 0.180E-02 0.253E-02 RMM: 9 -0.360457096400E+03 -0.82293E-05 -0.16259E-05 2504 0.115E-02 7203 T= 7540. E= 0.69382803E+03 F= 0.63144937E+03 E0= 0.66142304E+03 EK= 0.62379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360823974424E+03 -0.36689E+00 -0.23328E-01 8940 0.248E+01 0.292E-01 RMM: 2 -0.360839790225E+03 -0.15816E-01 -0.14528E-01 5551 0.758E-01 0.756E-01 RMM: 3 -0.360834488227E+03 0.53020E-02 -0.84187E-03 5567 0.189E-01 0.208E-01 RMM: 4 -0.360834952378E+03 -0.46415E-03 -0.12394E-03 4666 0.808E-02 0.361E-01 RMM: 5 -0.360834128546E+03 0.82383E-03 -0.43889E-04 4227 0.529E-02 0.926E-02 RMM: 6 -0.360834095730E+03 0.32816E-04 -0.80277E-05 3587 0.235E-02 0.690E-02 RMM: 7 -0.360834128331E+03 -0.32601E-04 -0.68672E-05 3573 0.212E-02 0.103E-01 RMM: 8 -0.360834060932E+03 0.67398E-04 -0.46502E-05 3176 0.198E-02 0.257E-02 RMM: 9 -0.360834069152E+03 -0.82197E-05 -0.16825E-05 2520 0.118E-02 7204 T= 7516. E= 0.69345248E+03 F= 0.63127661E+03 E0= 0.66130259E+03 EK= 0.62176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360991288153E+03 -0.15723E+00 -0.24825E-01 8736 0.244E+01 0.266E-01 RMM: 2 -0.361006459297E+03 -0.15171E-01 -0.15398E-01 5888 0.746E-01 0.542E-01 RMM: 3 -0.361002584129E+03 0.38752E-02 -0.71568E-03 5450 0.182E-01 0.220E-01 RMM: 4 -0.361002955429E+03 -0.37130E-03 -0.10033E-03 4679 0.708E-02 0.348E-01 RMM: 5 -0.361002195849E+03 0.75958E-03 -0.38517E-04 4143 0.500E-02 0.858E-02 RMM: 6 -0.361002198588E+03 -0.27393E-05 -0.10808E-04 3821 0.272E-02 7205 T= 7030. E= 0.68947319E+03 F= 0.63131508E+03 E0= 0.66139171E+03 EK= 0.58158E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360973343579E+03 0.28852E-01 -0.24480E-01 8592 0.235E+01 0.340E-01 RMM: 2 -0.361005101675E+03 -0.31758E-01 -0.15746E-01 5597 0.760E-01 0.167E+00 RMM: 3 -0.360984487610E+03 0.20614E-01 -0.11947E-02 5363 0.246E-01 0.298E-01 RMM: 4 -0.360984196434E+03 0.29118E-03 -0.17669E-03 4795 0.911E-02 0.238E-01 RMM: 5 -0.360983925449E+03 0.27099E-03 -0.41185E-04 4328 0.513E-02 0.157E-01 RMM: 6 -0.360983825037E+03 0.10041E-03 -0.17791E-04 3882 0.355E-02 0.101E-01 RMM: 7 -0.360983929709E+03 -0.10467E-03 -0.13028E-04 3877 0.301E-02 0.156E-01 RMM: 8 -0.360983774311E+03 0.15540E-03 -0.87043E-05 3655 0.271E-02 0.391E-02 RMM: 9 -0.360983773325E+03 0.98597E-06 -0.16938E-05 2545 0.120E-02 7206 T= 6331. E= 0.68392441E+03 F= 0.63154730E+03 E0= 0.66167077E+03 EK= 0.52377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360850686728E+03 0.13309E+00 -0.23752E-01 8868 0.224E+01 0.346E-01 RMM: 2 -0.360886708619E+03 -0.36022E-01 -0.15475E-01 5500 0.747E-01 0.185E+00 RMM: 3 -0.360861580199E+03 0.25128E-01 -0.13281E-02 5360 0.258E-01 0.289E-01 RMM: 4 -0.360861230592E+03 0.34961E-03 -0.18814E-03 4780 0.937E-02 0.220E-01 RMM: 5 -0.360861141690E+03 0.88903E-04 -0.42116E-04 4341 0.525E-02 0.210E-01 RMM: 6 -0.360860870114E+03 0.27158E-03 -0.18558E-04 3884 0.366E-02 0.635E-02 RMM: 7 -0.360860976472E+03 -0.10636E-03 -0.11728E-04 3860 0.279E-02 0.144E-01 RMM: 8 -0.360860852343E+03 0.12413E-03 -0.58350E-05 3398 0.229E-02 0.385E-02 RMM: 9 -0.360860847591E+03 0.47527E-05 -0.12711E-05 2496 0.102E-02 7207 T= 5704. E= 0.67907991E+03 F= 0.63189290E+03 E0= 0.66205786E+03 EK= 0.47187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360712965846E+03 0.14789E+00 -0.23564E-01 9084 0.215E+01 0.271E-01 RMM: 2 -0.360732955382E+03 -0.19990E-01 -0.15005E-01 5628 0.723E-01 0.102E+00 RMM: 3 -0.360723970565E+03 0.89848E-02 -0.90655E-03 5420 0.200E-01 0.208E-01 RMM: 4 -0.360724004705E+03 -0.34140E-04 -0.11953E-03 4690 0.766E-02 0.250E-01 RMM: 5 -0.360723670474E+03 0.33423E-03 -0.41902E-04 4421 0.538E-02 0.148E-01 RMM: 6 -0.360723599092E+03 0.71381E-04 -0.18511E-04 3888 0.351E-02 0.108E-01 RMM: 7 -0.360723645122E+03 -0.46030E-04 -0.10760E-04 3860 0.290E-02 0.135E-01 RMM: 8 -0.360723531452E+03 0.11367E-03 -0.54834E-05 3353 0.219E-02 0.361E-02 RMM: 9 -0.360723534353E+03 -0.29014E-05 -0.16722E-05 2514 0.117E-02 7208 T= 5326. E= 0.67632302E+03 F= 0.63225951E+03 E0= 0.66246068E+03 EK= 0.44064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360623778702E+03 0.99753E-01 -0.24098E-01 9072 0.212E+01 0.261E-01 RMM: 2 -0.360642948055E+03 -0.19169E-01 -0.14452E-01 5722 0.704E-01 0.983E-01 RMM: 3 -0.360634507147E+03 0.84409E-02 -0.80374E-03 5423 0.189E-01 0.187E-01 RMM: 4 -0.360634672231E+03 -0.16508E-03 -0.11761E-03 4666 0.783E-02 0.269E-01 RMM: 5 -0.360634259119E+03 0.41311E-03 -0.35493E-04 4001 0.484E-02 0.131E-01 RMM: 6 -0.360634190288E+03 0.68830E-04 -0.12946E-04 3879 0.305E-02 0.858E-02 RMM: 7 -0.360634234047E+03 -0.43759E-04 -0.79738E-05 3633 0.238E-02 0.118E-01 RMM: 8 -0.360634146894E+03 0.87153E-04 -0.44387E-05 3164 0.207E-02 0.256E-02 RMM: 9 -0.360634152652E+03 -0.57576E-05 -0.12583E-05 2489 0.100E-02 7209 T= 5271. E= 0.67618851E+03 F= 0.63257927E+03 E0= 0.66281198E+03 EK= 0.43609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360603062734E+03 0.31084E-01 -0.25715E-01 9144 0.215E+01 0.263E-01 RMM: 2 -0.360620403063E+03 -0.17340E-01 -0.14761E-01 5669 0.714E-01 0.826E-01 RMM: 3 -0.360614265792E+03 0.61373E-02 -0.78224E-03 5494 0.182E-01 0.204E-01 RMM: 4 -0.360614443234E+03 -0.17744E-03 -0.11676E-03 4650 0.790E-02 0.282E-01 RMM: 5 -0.360613973579E+03 0.46966E-03 -0.35740E-04 3949 0.468E-02 0.134E-01 RMM: 6 -0.360613881935E+03 0.91644E-04 -0.12659E-04 3884 0.308E-02 0.719E-02 RMM: 7 -0.360613942490E+03 -0.60555E-04 -0.83766E-05 3681 0.241E-02 0.121E-01 RMM: 8 -0.360613850320E+03 0.92170E-04 -0.44471E-05 3176 0.204E-02 0.307E-02 RMM: 9 -0.360613850509E+03 -0.18933E-06 -0.12870E-05 2483 0.101E-02 7210 T= 5551. E= 0.67874919E+03 F= 0.63282430E+03 E0= 0.66308378E+03 EK= 0.45925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360630197920E+03 -0.16348E-01 -0.27447E-01 9048 0.223E+01 0.274E-01 RMM: 2 -0.360648029165E+03 -0.17831E-01 -0.15288E-01 5849 0.707E-01 0.828E-01 RMM: 3 -0.360641390710E+03 0.66385E-02 -0.73310E-03 5458 0.177E-01 0.196E-01 RMM: 4 -0.360641773552E+03 -0.38284E-03 -0.12332E-03 4638 0.800E-02 0.326E-01 RMM: 5 -0.360641101310E+03 0.67224E-03 -0.37076E-04 3925 0.475E-02 0.115E-01 RMM: 6 -0.360641037958E+03 0.63352E-04 -0.97141E-05 3740 0.264E-02 0.676E-02 RMM: 7 -0.360641081353E+03 -0.43396E-04 -0.80889E-05 3690 0.229E-02 0.110E-01 RMM: 8 -0.360641005058E+03 0.76295E-04 -0.48310E-05 3210 0.203E-02 0.285E-02 RMM: 9 -0.360641007998E+03 -0.29403E-05 -0.15092E-05 2501 0.111E-02 7211 T= 6125. E= 0.68368291E+03 F= 0.63301073E+03 E0= 0.66329216E+03 EK= 0.50672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360640910919E+03 0.94139E-04 -0.31006E-01 9012 0.236E+01 0.295E-01 RMM: 2 -0.360660935299E+03 -0.20024E-01 -0.16789E-01 5745 0.770E-01 0.934E-01 RMM: 3 -0.360653473767E+03 0.74615E-02 -0.85929E-03 5637 0.188E-01 0.225E-01 RMM: 4 -0.360653780682E+03 -0.30692E-03 -0.14505E-03 4638 0.880E-02 0.336E-01 RMM: 5 -0.360653069075E+03 0.71161E-03 -0.43164E-04 3967 0.515E-02 0.120E-01 RMM: 6 -0.360652987803E+03 0.81272E-04 -0.93967E-05 3718 0.261E-02 0.607E-02 RMM: 7 -0.360653024939E+03 -0.37135E-04 -0.81840E-05 3727 0.233E-02 0.104E-01 RMM: 8 -0.360652956374E+03 0.68565E-04 -0.47247E-05 3179 0.195E-02 0.312E-02 RMM: 9 -0.360652961640E+03 -0.52664E-05 -0.18297E-05 2518 0.121E-02 7212 T= 6856. E= 0.68991525E+03 F= 0.63319893E+03 E0= 0.66349626E+03 EK= 0.56716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360546940082E+03 0.10602E+00 -0.34474E-01 8952 0.248E+01 0.304E-01 RMM: 2 -0.360567018143E+03 -0.20078E-01 -0.17944E-01 5765 0.806E-01 0.851E-01 RMM: 3 -0.360560376974E+03 0.66412E-02 -0.92137E-03 5812 0.193E-01 0.216E-01 RMM: 4 -0.360560699474E+03 -0.32250E-03 -0.13578E-03 4641 0.843E-02 0.344E-01 RMM: 5 -0.360559937498E+03 0.76198E-03 -0.43494E-04 4050 0.524E-02 0.113E-01 RMM: 6 -0.360559871950E+03 0.65549E-04 -0.94171E-05 3695 0.259E-02 0.624E-02 RMM: 7 -0.360559903405E+03 -0.31455E-04 -0.73629E-05 3613 0.218E-02 0.104E-01 RMM: 8 -0.360559835829E+03 0.67575E-04 -0.47467E-05 3157 0.196E-02 0.319E-02 RMM: 9 -0.360559843417E+03 -0.75870E-05 -0.21324E-05 2559 0.131E-02 7213 T= 7473. E= 0.69530342E+03 F= 0.63348029E+03 E0= 0.66378683E+03 EK= 0.61823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360276566527E+03 0.28327E+00 -0.36333E-01 8988 0.255E+01 0.293E-01 RMM: 2 -0.360298593415E+03 -0.22027E-01 -0.18675E-01 5769 0.831E-01 0.940E-01 RMM: 3 -0.360290804294E+03 0.77891E-02 -0.92566E-03 5580 0.199E-01 0.212E-01 RMM: 4 -0.360291151969E+03 -0.34768E-03 -0.14422E-03 4674 0.878E-02 0.338E-01 RMM: 5 -0.360290435572E+03 0.71640E-03 -0.42789E-04 4023 0.513E-02 0.121E-01 RMM: 6 -0.360290358600E+03 0.76972E-04 -0.10118E-04 3762 0.265E-02 0.682E-02 RMM: 7 -0.360290397188E+03 -0.38589E-04 -0.10094E-04 3866 0.258E-02 0.110E-01 RMM: 8 -0.360290320767E+03 0.76421E-04 -0.54872E-05 3328 0.206E-02 0.326E-02 RMM: 9 -0.360290325467E+03 -0.47005E-05 -0.18003E-05 2530 0.121E-02 7214 T= 7668. E= 0.69736746E+03 F= 0.63393069E+03 E0= 0.66423858E+03 EK= 0.63437E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359839841518E+03 0.45048E+00 -0.36081E-01 8820 0.254E+01 0.261E-01 RMM: 2 -0.359859864051E+03 -0.20023E-01 -0.17767E-01 5836 0.826E-01 0.811E-01 RMM: 3 -0.359853820800E+03 0.60433E-02 -0.88035E-03 5675 0.197E-01 0.182E-01 RMM: 4 -0.359853986238E+03 -0.16544E-03 -0.10360E-03 4656 0.737E-02 0.273E-01 RMM: 5 -0.359853534519E+03 0.45172E-03 -0.30819E-04 3925 0.435E-02 0.123E-01 RMM: 6 -0.359853473693E+03 0.60826E-04 -0.13157E-04 3874 0.312E-02 0.842E-02 RMM: 7 -0.359853522756E+03 -0.49063E-04 -0.10370E-04 3874 0.262E-02 0.124E-01 RMM: 8 -0.359853427367E+03 0.95389E-04 -0.46007E-05 3218 0.202E-02 0.322E-02 RMM: 9 -0.359853426657E+03 0.70978E-06 -0.13745E-05 2491 0.105E-02 7215 T= 7329. E= 0.69517707E+03 F= 0.63454704E+03 E0= 0.66484976E+03 EK= 0.60630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359347498381E+03 0.50593E+00 -0.32501E-01 8628 0.244E+01 0.255E-01 RMM: 2 -0.359370204179E+03 -0.22706E-01 -0.16361E-01 5821 0.820E-01 0.109E+00 RMM: 3 -0.359360719524E+03 0.94847E-02 -0.90735E-03 5429 0.210E-01 0.219E-01 RMM: 4 -0.359360515697E+03 0.20383E-03 -0.10417E-03 4667 0.709E-02 0.176E-01 RMM: 5 -0.359360354864E+03 0.16083E-03 -0.28469E-04 3954 0.444E-02 0.134E-01 RMM: 6 -0.359360311009E+03 0.43855E-04 -0.16100E-04 3880 0.343E-02 0.112E-01 RMM: 7 -0.359360373755E+03 -0.62746E-04 -0.13901E-04 3880 0.311E-02 0.148E-01 RMM: 8 -0.359360236284E+03 0.13747E-03 -0.76415E-05 3553 0.256E-02 0.383E-02 RMM: 9 -0.359360235971E+03 0.31289E-06 -0.15520E-05 2522 0.113E-02 7216 T= 6649. E= 0.69022897E+03 F= 0.63522357E+03 E0= 0.66551621E+03 EK= 0.55005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358956863006E+03 0.40337E+00 -0.25738E-01 8736 0.231E+01 0.243E-01 RMM: 2 -0.358976662142E+03 -0.19799E-01 -0.14943E-01 5572 0.820E-01 0.998E-01 RMM: 3 -0.358969104860E+03 0.75573E-02 -0.10071E-02 5470 0.212E-01 0.208E-01 RMM: 4 -0.358968854126E+03 0.25073E-03 -0.91977E-04 4722 0.650E-02 0.159E-01 RMM: 5 -0.358968709503E+03 0.14462E-03 -0.25307E-04 3937 0.439E-02 0.120E-01 RMM: 6 -0.358968706376E+03 0.31273E-05 -0.19474E-04 3880 0.375E-02 7217 T= 5951. E= 0.68503249E+03 F= 0.63580523E+03 E0= 0.66608505E+03 EK= 0.49227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358783630432E+03 0.18508E+00 -0.19082E-01 8820 0.220E+01 0.443E-01 RMM: 2 -0.358835258313E+03 -0.51628E-01 -0.12717E-01 5287 0.808E-01 0.254E+00 RMM: 3 -0.358792481106E+03 0.42777E-01 -0.19805E-02 5331 0.346E-01 0.411E-01 RMM: 4 -0.358791429960E+03 0.10511E-02 -0.23863E-03 5056 0.101E-01 0.178E-01 RMM: 5 -0.358791528721E+03 -0.98761E-04 -0.59474E-04 4586 0.625E-02 0.244E-01 RMM: 6 -0.358791189750E+03 0.33897E-03 -0.36452E-04 4130 0.508E-02 0.108E-01 RMM: 7 -0.358791334773E+03 -0.14502E-03 -0.27090E-04 3934 0.436E-02 0.178E-01 RMM: 8 -0.358791142954E+03 0.19182E-03 -0.13548E-04 3882 0.344E-02 0.590E-02 RMM: 9 -0.358791136870E+03 0.60836E-05 -0.28631E-05 2898 0.154E-02 7218 T= 5469. E= 0.68142209E+03 F= 0.63617922E+03 E0= 0.66644340E+03 EK= 0.45243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358840787037E+03 -0.49644E-01 -0.14939E-01 8328 0.215E+01 0.368E-01 RMM: 2 -0.358884018558E+03 -0.43232E-01 -0.85606E-02 5199 0.638E-01 0.235E+00 RMM: 3 -0.358846464984E+03 0.37554E-01 -0.14870E-02 5313 0.300E-01 0.337E-01 RMM: 4 -0.358845802173E+03 0.66281E-03 -0.19121E-03 4801 0.910E-02 0.172E-01 RMM: 5 -0.358845772595E+03 0.29578E-04 -0.33838E-04 4092 0.475E-02 0.178E-01 RMM: 6 -0.358845556555E+03 0.21604E-03 -0.16181E-04 3883 0.359E-02 0.544E-02 RMM: 7 -0.358845625339E+03 -0.68784E-04 -0.10486E-04 3803 0.271E-02 0.116E-01 RMM: 8 -0.358845543058E+03 0.82282E-04 -0.47325E-05 3212 0.213E-02 0.369E-02 RMM: 9 -0.358845536569E+03 0.64880E-05 -0.10685E-05 2481 0.955E-03 7219 T= 5305. E= 0.68021247E+03 F= 0.63632382E+03 E0= 0.66657112E+03 EK= 0.43889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359052214806E+03 -0.20667E+00 -0.14424E-01 8100 0.216E+01 0.335E-01 RMM: 2 -0.359073987809E+03 -0.21773E-01 -0.78118E-02 5061 0.643E-01 0.159E+00 RMM: 3 -0.359057377808E+03 0.16610E-01 -0.10690E-02 5356 0.243E-01 0.304E-01 RMM: 4 -0.359057043098E+03 0.33471E-03 -0.16402E-03 4742 0.902E-02 0.219E-01 RMM: 5 -0.359056919104E+03 0.12399E-03 -0.33379E-04 3966 0.441E-02 0.196E-01 RMM: 6 -0.359056677193E+03 0.24191E-03 -0.15416E-04 3882 0.351E-02 0.582E-02 RMM: 7 -0.359056744463E+03 -0.67270E-04 -0.91883E-05 3688 0.251E-02 0.119E-01 RMM: 8 -0.359056659749E+03 0.84713E-04 -0.46196E-05 3177 0.213E-02 0.397E-02 RMM: 9 -0.359056653075E+03 0.66742E-05 -0.13321E-05 2488 0.107E-02 7220 T= 5475. E= 0.68160042E+03 F= 0.63630883E+03 E0= 0.66653620E+03 EK= 0.45292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359284925042E+03 -0.22827E+00 -0.14711E-01 8532 0.223E+01 0.335E-01 RMM: 2 -0.359302229441E+03 -0.17304E-01 -0.77832E-02 5325 0.650E-01 0.135E+00 RMM: 3 -0.359289963416E+03 0.12266E-01 -0.92130E-03 5403 0.220E-01 0.315E-01 RMM: 4 -0.359289653534E+03 0.30988E-03 -0.16434E-03 4687 0.924E-02 0.245E-01 RMM: 5 -0.359289399624E+03 0.25391E-03 -0.32368E-04 3926 0.444E-02 0.177E-01 RMM: 6 -0.359289200373E+03 0.19925E-03 -0.11848E-04 3845 0.316E-02 0.509E-02 RMM: 7 -0.359289229711E+03 -0.29338E-04 -0.59584E-05 3359 0.208E-02 0.895E-02 RMM: 8 -0.359289184362E+03 0.45349E-04 -0.42634E-05 3015 0.191E-02 0.389E-02 RMM: 9 -0.359289181522E+03 0.28394E-05 -0.18379E-05 2514 0.126E-02 7221 T= 5938. E= 0.68538680E+03 F= 0.63626448E+03 E0= 0.66646728E+03 EK= 0.49122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359374731303E+03 -0.85547E-01 -0.16522E-01 8484 0.234E+01 0.308E-01 RMM: 2 -0.359388321554E+03 -0.13590E-01 -0.10268E-01 5337 0.735E-01 0.983E-01 RMM: 3 -0.359381968938E+03 0.63526E-02 -0.97595E-03 5480 0.210E-01 0.253E-01 RMM: 4 -0.359382215694E+03 -0.24676E-03 -0.14183E-03 4651 0.877E-02 0.337E-01 RMM: 5 -0.359381480439E+03 0.73526E-03 -0.40752E-04 4198 0.508E-02 0.115E-01 RMM: 6 -0.359381403408E+03 0.77031E-04 -0.83400E-05 3632 0.248E-02 0.564E-02 RMM: 7 -0.359381412344E+03 -0.89356E-05 -0.47562E-05 3132 0.189E-02 7222 T= 6580. E= 0.69078325E+03 F= 0.63634961E+03 E0= 0.66652052E+03 EK= 0.54434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359182127595E+03 0.19928E+00 -0.18378E-01 8748 0.245E+01 0.320E-01 RMM: 2 -0.359198009367E+03 -0.15882E-01 -0.10728E-01 5398 0.743E-01 0.111E+00 RMM: 3 -0.359189782267E+03 0.82271E-02 -0.96561E-03 5481 0.212E-01 0.298E-01 RMM: 4 -0.359189783187E+03 -0.91970E-06 -0.16309E-03 4648 0.939E-02 0.313E-01 RMM: 5 -0.359189108741E+03 0.67445E-03 -0.42017E-04 4219 0.524E-02 0.102E-01 RMM: 6 -0.359189064243E+03 0.44498E-04 -0.78515E-05 3587 0.238E-02 0.722E-02 RMM: 7 -0.359189078031E+03 -0.13789E-04 -0.88082E-05 3856 0.226E-02 7223 T= 7181. E= 0.69611847E+03 F= 0.63670865E+03 E0= 0.66683959E+03 EK= 0.59410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358629308893E+03 0.55976E+00 -0.20410E-01 8472 0.253E+01 0.312E-01 RMM: 2 -0.358648054096E+03 -0.18745E-01 -0.11778E-01 5249 0.770E-01 0.124E+00 RMM: 3 -0.358637559298E+03 0.10495E-01 -0.11366E-02 5430 0.234E-01 0.238E-01 RMM: 4 -0.358637783339E+03 -0.22404E-03 -0.15307E-03 4736 0.881E-02 0.315E-01 RMM: 5 -0.358637180182E+03 0.60316E-03 -0.36033E-04 4159 0.476E-02 0.134E-01 RMM: 6 -0.358637064115E+03 0.11607E-03 -0.11383E-04 3833 0.289E-02 0.526E-02 RMM: 7 -0.358637082053E+03 -0.17938E-04 -0.47027E-05 3138 0.182E-02 7224 T= 7470. E= 0.69921745E+03 F= 0.63741955E+03 E0= 0.66750311E+03 EK= 0.61798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357757314260E+03 0.87975E+00 -0.20789E-01 8184 0.253E+01 0.278E-01 RMM: 2 -0.357775163361E+03 -0.17849E-01 -0.10999E-01 5213 0.727E-01 0.118E+00 RMM: 3 -0.357765272926E+03 0.98904E-02 -0.10431E-02 5397 0.229E-01 0.251E-01 RMM: 4 -0.357765107556E+03 0.16537E-03 -0.12258E-03 4714 0.769E-02 0.209E-01 RMM: 5 -0.357764861970E+03 0.24559E-03 -0.24502E-04 3902 0.391E-02 0.129E-01 RMM: 6 -0.357764765557E+03 0.96413E-04 -0.10352E-04 3744 0.285E-02 0.640E-02 RMM: 7 -0.357764833085E+03 -0.67528E-04 -0.10126E-04 3872 0.249E-02 0.126E-01 RMM: 8 -0.357764738260E+03 0.94825E-04 -0.70723E-05 3561 0.227E-02 0.465E-02 RMM: 9 -0.357764727464E+03 0.10796E-04 -0.17971E-05 2530 0.124E-02 7225 T= 7295. E= 0.69880056E+03 F= 0.63844728E+03 E0= 0.66847974E+03 EK= 0.60353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356715149035E+03 0.10496E+01 -0.20076E-01 7896 0.246E+01 0.228E-01 RMM: 2 -0.356729874154E+03 -0.14725E-01 -0.11655E-01 5223 0.740E-01 0.861E-01 RMM: 3 -0.356723874733E+03 0.59994E-02 -0.94598E-03 5626 0.208E-01 0.212E-01 RMM: 4 -0.356723711927E+03 0.16281E-03 -0.89069E-04 4691 0.678E-02 0.178E-01 RMM: 5 -0.356723528216E+03 0.18371E-03 -0.21744E-04 3901 0.392E-02 0.121E-01 RMM: 6 -0.356723454224E+03 0.73992E-04 -0.11655E-04 3866 0.301E-02 0.685E-02 RMM: 7 -0.356723497920E+03 -0.43696E-04 -0.86622E-05 3756 0.237E-02 0.113E-01 RMM: 8 -0.356723419163E+03 0.78758E-04 -0.39099E-05 3046 0.189E-02 0.332E-02 RMM: 9 -0.356723415878E+03 0.32845E-05 -0.13458E-05 2470 0.102E-02 7226 T= 6760. E= 0.69557086E+03 F= 0.63964463E+03 E0= 0.66962607E+03 EK= 0.55926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355705938508E+03 0.10175E+01 -0.18354E-01 8028 0.235E+01 0.241E-01 RMM: 2 -0.355721926103E+03 -0.15988E-01 -0.10922E-01 5313 0.744E-01 0.103E+00 RMM: 3 -0.355714234031E+03 0.76921E-02 -0.93330E-03 5685 0.202E-01 0.197E-01 RMM: 4 -0.355714011420E+03 0.22261E-03 -0.79051E-04 4673 0.623E-02 0.153E-01 RMM: 5 -0.355713875551E+03 0.13587E-03 -0.21876E-04 3905 0.412E-02 0.108E-01 RMM: 6 -0.355713855370E+03 0.20181E-04 -0.13705E-04 3884 0.323E-02 0.960E-02 RMM: 7 -0.355713868877E+03 -0.13507E-04 -0.69940E-05 3523 0.227E-02 7227 T= 6130. E= 0.69152710E+03 F= 0.64081345E+03 E0= 0.67074869E+03 EK= 0.50714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354895493421E+03 0.81836E+00 -0.16293E-01 8136 0.225E+01 0.242E-01 RMM: 2 -0.354910006417E+03 -0.14513E-01 -0.99827E-02 5332 0.706E-01 0.986E-01 RMM: 3 -0.354903076740E+03 0.69297E-02 -0.82202E-03 5624 0.191E-01 0.219E-01 RMM: 4 -0.354902824816E+03 0.25192E-03 -0.80966E-04 4651 0.638E-02 0.159E-01 RMM: 5 -0.354902680862E+03 0.14395E-03 -0.28980E-04 4018 0.471E-02 0.122E-01 RMM: 6 -0.354902682166E+03 -0.13035E-05 -0.16766E-04 3889 0.348E-02 7228 T= 5645. E= 0.68848627E+03 F= 0.64178729E+03 E0= 0.67168226E+03 EK= 0.46699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354376670419E+03 0.52601E+00 -0.14883E-01 8256 0.220E+01 0.402E-01 RMM: 2 -0.354415308456E+03 -0.38638E-01 -0.98502E-02 5198 0.732E-01 0.218E+00 RMM: 3 -0.354383283076E+03 0.32025E-01 -0.17845E-02 5345 0.330E-01 0.366E-01 RMM: 4 -0.354382444525E+03 0.83855E-03 -0.19082E-03 4780 0.870E-02 0.142E-01 RMM: 5 -0.354382430401E+03 0.14124E-04 -0.36522E-04 4226 0.505E-02 0.163E-01 RMM: 6 -0.354382281864E+03 0.14854E-03 -0.18857E-04 3886 0.379E-02 0.824E-02 RMM: 7 -0.354382362988E+03 -0.81124E-04 -0.11920E-04 3878 0.293E-02 0.135E-01 RMM: 8 -0.354382266551E+03 0.96437E-04 -0.59209E-05 3410 0.228E-02 0.617E-02 RMM: 9 -0.354382247391E+03 0.19160E-04 -0.21359E-05 2635 0.139E-02 7229 T= 5435. E= 0.68743629E+03 F= 0.64247142E+03 E0= 0.67233647E+03 EK= 0.44965E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354164675025E+03 0.21759E+00 -0.14147E-01 8112 0.220E+01 0.429E-01 RMM: 2 -0.354211211646E+03 -0.46537E-01 -0.10198E-01 5142 0.735E-01 0.246E+00 RMM: 3 -0.354171255215E+03 0.39956E-01 -0.19402E-02 5267 0.345E-01 0.424E-01 RMM: 4 -0.354170059855E+03 0.11954E-02 -0.24197E-03 5067 0.104E-01 0.138E-01 RMM: 5 -0.354170189177E+03 -0.12932E-03 -0.37075E-04 3995 0.452E-02 0.210E-01 RMM: 6 -0.354169900332E+03 0.28884E-03 -0.14441E-04 3875 0.342E-02 0.521E-02 RMM: 7 -0.354169909330E+03 -0.89983E-05 -0.45849E-05 3155 0.184E-02 7230 T= 5544. E= 0.68870454E+03 F= 0.64284473E+03 E0= 0.67268777E+03 EK= 0.45860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354214496098E+03 -0.44596E-01 -0.15422E-01 8484 0.226E+01 0.310E-01 RMM: 2 -0.354239256801E+03 -0.24761E-01 -0.10022E-01 5136 0.694E-01 0.159E+00 RMM: 3 -0.354221653612E+03 0.17603E-01 -0.11624E-02 5380 0.246E-01 0.249E-01 RMM: 4 -0.354221489823E+03 0.16379E-03 -0.15171E-03 4689 0.831E-02 0.213E-01 RMM: 5 -0.354221327392E+03 0.16243E-03 -0.29163E-04 3930 0.417E-02 0.167E-01 RMM: 6 -0.354221149334E+03 0.17806E-03 -0.12730E-04 3873 0.313E-02 0.594E-02 RMM: 7 -0.354221209903E+03 -0.60569E-04 -0.87841E-05 3723 0.244E-02 0.116E-01 RMM: 8 -0.354221131331E+03 0.78572E-04 -0.57179E-05 3357 0.220E-02 0.466E-02 RMM: 9 -0.354221119458E+03 0.11873E-04 -0.14685E-05 2500 0.114E-02 7231 T= 5950. E= 0.69216834E+03 F= 0.64294805E+03 E0= 0.67277864E+03 EK= 0.49220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354438183837E+03 -0.21705E+00 -0.17000E-01 8484 0.237E+01 0.288E-01 RMM: 2 -0.354457308778E+03 -0.19125E-01 -0.11747E-01 5145 0.765E-01 0.123E+00 RMM: 3 -0.354446826473E+03 0.10482E-01 -0.12042E-02 5537 0.232E-01 0.206E-01 RMM: 4 -0.354446861148E+03 -0.34675E-04 -0.13476E-03 4697 0.811E-02 0.250E-01 RMM: 5 -0.354446498492E+03 0.36266E-03 -0.26872E-04 3884 0.395E-02 0.126E-01 RMM: 6 -0.354446400519E+03 0.97972E-04 -0.82309E-05 3570 0.255E-02 0.473E-02 RMM: 7 -0.354446415813E+03 -0.15294E-04 -0.40503E-05 3000 0.178E-02 7232 T= 6558. E= 0.69712468E+03 F= 0.64286868E+03 E0= 0.67269530E+03 EK= 0.54256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354729041123E+03 -0.28264E+00 -0.19061E-01 8676 0.248E+01 0.277E-01 RMM: 2 -0.354746323978E+03 -0.17283E-01 -0.12266E-01 5270 0.771E-01 0.105E+00 RMM: 3 -0.354738447238E+03 0.78767E-02 -0.11562E-02 5602 0.222E-01 0.234E-01 RMM: 4 -0.354738368665E+03 0.78573E-04 -0.12441E-03 4699 0.783E-02 0.243E-01 RMM: 5 -0.354737983797E+03 0.38487E-03 -0.25775E-04 3892 0.394E-02 0.943E-02 RMM: 6 -0.354737945137E+03 0.38660E-04 -0.62793E-05 3388 0.221E-02 0.654E-02 RMM: 7 -0.354737987989E+03 -0.42852E-04 -0.88474E-05 3818 0.234E-02 0.112E-01 RMM: 8 -0.354737911331E+03 0.76658E-04 -0.65453E-05 3478 0.219E-02 0.318E-02 RMM: 9 -0.354737913111E+03 -0.17802E-05 -0.16938E-05 2511 0.123E-02 7233 T= 7168. E= 0.70201005E+03 F= 0.64271462E+03 E0= 0.67254573E+03 EK= 0.59295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355003479581E+03 -0.26557E+00 -0.20719E-01 8580 0.255E+01 0.303E-01 RMM: 2 -0.355024619055E+03 -0.21139E-01 -0.13546E-01 5267 0.813E-01 0.126E+00 RMM: 3 -0.355013555365E+03 0.11064E-01 -0.12793E-02 5580 0.238E-01 0.244E-01 RMM: 4 -0.355013425584E+03 0.12978E-03 -0.14255E-03 4696 0.831E-02 0.243E-01 RMM: 5 -0.355013092763E+03 0.33282E-03 -0.28373E-04 3913 0.414E-02 0.138E-01 RMM: 6 -0.355012973002E+03 0.11976E-03 -0.10087E-04 3700 0.283E-02 0.544E-02 RMM: 7 -0.355012999075E+03 -0.26073E-04 -0.67137E-05 3504 0.213E-02 0.964E-02 RMM: 8 -0.355012945081E+03 0.53994E-04 -0.76940E-05 3790 0.213E-02 0.460E-02 RMM: 9 -0.355012935161E+03 0.99206E-05 -0.19058E-05 2527 0.125E-02 7234 T= 7506. E= 0.70466917E+03 F= 0.64257083E+03 E0= 0.67241301E+03 EK= 0.62098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355240774053E+03 -0.22783E+00 -0.20853E-01 8124 0.256E+01 0.263E-01 RMM: 2 -0.355258884175E+03 -0.18110E-01 -0.12438E-01 5333 0.776E-01 0.108E+00 RMM: 3 -0.355250188128E+03 0.86960E-02 -0.10866E-02 5753 0.215E-01 0.220E-01 RMM: 4 -0.355249998966E+03 0.18916E-03 -0.10488E-03 4673 0.729E-02 0.190E-01 RMM: 5 -0.355249783918E+03 0.21505E-03 -0.20555E-04 3884 0.356E-02 0.111E-01 RMM: 6 -0.355249724856E+03 0.59062E-04 -0.82341E-05 3570 0.256E-02 0.702E-02 RMM: 7 -0.355249784130E+03 -0.59274E-04 -0.95752E-05 3864 0.250E-02 0.123E-01 RMM: 8 -0.355249692494E+03 0.91636E-04 -0.61184E-05 3421 0.217E-02 0.415E-02 RMM: 9 -0.355249684754E+03 0.77401E-05 -0.15753E-05 2500 0.114E-02 7235 T= 7397. E= 0.70365575E+03 F= 0.64246267E+03 E0= 0.67232108E+03 EK= 0.61193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355474122023E+03 -0.22443E+00 -0.20027E-01 8100 0.249E+01 0.268E-01 RMM: 2 -0.355494592320E+03 -0.20470E-01 -0.11445E-01 5211 0.761E-01 0.130E+00 RMM: 3 -0.355482671255E+03 0.11921E-01 -0.10650E-02 5588 0.224E-01 0.229E-01 RMM: 4 -0.355482407425E+03 0.26383E-03 -0.10664E-03 4670 0.725E-02 0.159E-01 RMM: 5 -0.355482289906E+03 0.11752E-03 -0.21041E-04 3897 0.380E-02 0.124E-01 RMM: 6 -0.355482207188E+03 0.82718E-04 -0.89894E-05 3678 0.266E-02 0.659E-02 RMM: 7 -0.355482266229E+03 -0.59041E-04 -0.91146E-05 3852 0.252E-02 0.117E-01 RMM: 8 -0.355482179535E+03 0.86693E-04 -0.53098E-05 3296 0.213E-02 0.332E-02 RMM: 9 -0.355482177327E+03 0.22081E-05 -0.13506E-05 2484 0.105E-02 7236 T= 6903. E= 0.69946314E+03 F= 0.64235980E+03 E0= 0.67223767E+03 EK= 0.57103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355750260209E+03 -0.26808E+00 -0.18259E-01 7944 0.239E+01 0.217E-01 RMM: 2 -0.355765604177E+03 -0.15344E-01 -0.10714E-01 5193 0.732E-01 0.970E-01 RMM: 3 -0.355758572798E+03 0.70314E-02 -0.93619E-03 5606 0.205E-01 0.201E-01 RMM: 4 -0.355758369803E+03 0.20299E-03 -0.83390E-04 4700 0.652E-02 0.144E-01 RMM: 5 -0.355758252024E+03 0.11778E-03 -0.18490E-04 3886 0.365E-02 0.109E-01 RMM: 6 -0.355758206447E+03 0.45578E-04 -0.92218E-05 3714 0.266E-02 0.781E-02 RMM: 7 -0.355758255863E+03 -0.49416E-04 -0.87763E-05 3845 0.252E-02 0.117E-01 RMM: 8 -0.355758166648E+03 0.89215E-04 -0.44005E-05 3166 0.199E-02 0.284E-02 RMM: 9 -0.355758168980E+03 -0.23319E-05 -0.13563E-05 2488 0.103E-02 7237 T= 6268. E= 0.69406867E+03 F= 0.64221702E+03 E0= 0.67211743E+03 EK= 0.51852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356095396571E+03 -0.33723E+00 -0.16422E-01 8460 0.228E+01 0.239E-01 RMM: 2 -0.356110993262E+03 -0.15597E-01 -0.92381E-02 5355 0.680E-01 0.112E+00 RMM: 3 -0.356102359334E+03 0.86339E-02 -0.83096E-03 5665 0.192E-01 0.204E-01 RMM: 4 -0.356102147230E+03 0.21210E-03 -0.84213E-04 4643 0.655E-02 0.155E-01 RMM: 5 -0.356102031693E+03 0.11554E-03 -0.19167E-04 3883 0.370E-02 0.116E-01 RMM: 6 -0.356101970099E+03 0.61594E-04 -0.87929E-05 3655 0.265E-02 0.713E-02 RMM: 7 -0.356102022259E+03 -0.52160E-04 -0.87025E-05 3818 0.249E-02 0.114E-01 RMM: 8 -0.356101941007E+03 0.81252E-04 -0.45709E-05 3212 0.206E-02 0.316E-02 RMM: 9 -0.356101940582E+03 0.42537E-06 -0.12567E-05 2480 0.101E-02 7238 T= 5734. E= 0.68944471E+03 F= 0.64201059E+03 E0= 0.67193615E+03 EK= 0.47434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356507631218E+03 -0.40569E+00 -0.15972E-01 8952 0.221E+01 0.228E-01 RMM: 2 -0.356520437123E+03 -0.12806E-01 -0.87409E-02 5507 0.642E-01 0.919E-01 RMM: 3 -0.356514266256E+03 0.61709E-02 -0.68345E-03 5481 0.178E-01 0.206E-01 RMM: 4 -0.356514142276E+03 0.12398E-03 -0.81627E-04 4630 0.639E-02 0.173E-01 RMM: 5 -0.356513977203E+03 0.16507E-03 -0.18489E-04 3884 0.348E-02 0.109E-01 RMM: 6 -0.356513922217E+03 0.54986E-04 -0.85489E-05 3637 0.263E-02 0.687E-02 RMM: 7 -0.356513983599E+03 -0.61382E-04 -0.78466E-05 3706 0.238E-02 0.118E-01 RMM: 8 -0.356513896833E+03 0.86766E-04 -0.43098E-05 3158 0.199E-02 0.322E-02 RMM: 9 -0.356513895133E+03 0.16998E-05 -0.12618E-05 2481 0.101E-02 7239 T= 5440. E= 0.68674581E+03 F= 0.64173851E+03 E0= 0.67169218E+03 EK= 0.45007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356974730712E+03 -0.46083E+00 -0.16096E-01 9120 0.218E+01 0.249E-01 RMM: 2 -0.356989928033E+03 -0.15197E-01 -0.90188E-02 5472 0.647E-01 0.111E+00 RMM: 3 -0.356981541949E+03 0.83861E-02 -0.76124E-03 5520 0.185E-01 0.207E-01 RMM: 4 -0.356981437125E+03 0.10482E-03 -0.95843E-04 4618 0.697E-02 0.190E-01 RMM: 5 -0.356981267264E+03 0.16986E-03 -0.19175E-04 3886 0.339E-02 0.127E-01 RMM: 6 -0.356981174601E+03 0.92663E-04 -0.73650E-05 3513 0.247E-02 0.575E-02 RMM: 7 -0.356981223897E+03 -0.49296E-04 -0.78506E-05 3647 0.234E-02 0.104E-01 RMM: 8 -0.356981158474E+03 0.65423E-04 -0.48800E-05 3224 0.207E-02 0.333E-02 RMM: 9 -0.356981155479E+03 0.29955E-05 -0.12726E-05 2480 0.103E-02 7240 T= 5438. E= 0.68640140E+03 F= 0.64141044E+03 E0= 0.67139465E+03 EK= 0.44991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357473664626E+03 -0.49251E+00 -0.16758E-01 9096 0.221E+01 0.243E-01 RMM: 2 -0.357488110290E+03 -0.14446E-01 -0.96087E-02 5521 0.654E-01 0.100E+00 RMM: 3 -0.357480945757E+03 0.71645E-02 -0.72326E-03 5477 0.180E-01 0.207E-01 RMM: 4 -0.357480938080E+03 0.76774E-05 -0.99632E-04 4635 0.710E-02 0.217E-01 RMM: 5 -0.357480661081E+03 0.27700E-03 -0.21039E-04 3891 0.346E-02 0.109E-01 RMM: 6 -0.357480594942E+03 0.66139E-04 -0.64778E-05 3441 0.233E-02 0.568E-02 RMM: 7 -0.357480630441E+03 -0.35499E-04 -0.58160E-05 3356 0.205E-02 0.955E-02 RMM: 8 -0.357480578100E+03 0.52342E-04 -0.52312E-05 3206 0.201E-02 0.385E-02 RMM: 9 -0.357480574683E+03 0.34168E-05 -0.16970E-05 2508 0.120E-02 7241 T= 5724. E= 0.68839610E+03 F= 0.64104597E+03 E0= 0.67106286E+03 EK= 0.47350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357968545116E+03 -0.48797E+00 -0.18281E-01 9204 0.228E+01 0.249E-01 RMM: 2 -0.357984117015E+03 -0.15572E-01 -0.11111E-01 5436 0.701E-01 0.100E+00 RMM: 3 -0.357977000192E+03 0.71168E-02 -0.84738E-03 5627 0.187E-01 0.189E-01 RMM: 4 -0.357977047789E+03 -0.47597E-04 -0.10427E-03 4639 0.738E-02 0.239E-01 RMM: 5 -0.357976718219E+03 0.32957E-03 -0.23532E-04 3890 0.376E-02 0.115E-01 RMM: 6 -0.357976641918E+03 0.76301E-04 -0.63107E-05 3418 0.225E-02 0.532E-02 RMM: 7 -0.357976659529E+03 -0.17611E-04 -0.50909E-05 3231 0.196E-02 7242 T= 6238. E= 0.69228246E+03 F= 0.64067792E+03 E0= 0.67072841E+03 EK= 0.51605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358409694314E+03 -0.43305E+00 -0.20334E-01 9120 0.237E+01 0.252E-01 RMM: 2 -0.358425944986E+03 -0.16251E-01 -0.12742E-01 5442 0.749E-01 0.923E-01 RMM: 3 -0.358419533722E+03 0.64113E-02 -0.90176E-03 5599 0.196E-01 0.225E-01 RMM: 4 -0.358419471529E+03 0.62193E-04 -0.11240E-03 4663 0.744E-02 0.232E-01 RMM: 5 -0.358419126468E+03 0.34506E-03 -0.25989E-04 3894 0.405E-02 0.908E-02 RMM: 6 -0.358419091396E+03 0.35072E-04 -0.54640E-05 3302 0.209E-02 0.618E-02 RMM: 7 -0.358419108264E+03 -0.16868E-04 -0.53101E-05 3254 0.194E-02 7243 T= 6840. E= 0.69694267E+03 F= 0.64035573E+03 E0= 0.67043881E+03 EK= 0.56587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358742937712E+03 -0.32385E+00 -0.22825E-01 9048 0.245E+01 0.283E-01 RMM: 2 -0.358763716862E+03 -0.20779E-01 -0.14289E-01 5440 0.801E-01 0.119E+00 RMM: 3 -0.358753768909E+03 0.99480E-02 -0.10773E-02 5557 0.221E-01 0.197E-01 RMM: 4 -0.358753859895E+03 -0.90986E-04 -0.12643E-03 4678 0.776E-02 0.266E-01 RMM: 5 -0.358753458513E+03 0.40138E-03 -0.29008E-04 3922 0.427E-02 0.121E-01 RMM: 6 -0.358753370855E+03 0.87659E-04 -0.94452E-05 3674 0.271E-02 0.517E-02 RMM: 7 -0.358753387561E+03 -0.16707E-04 -0.34003E-05 2795 0.163E-02 7244 T= 7302. E= 0.70054212E+03 F= 0.64013496E+03 E0= 0.67025033E+03 EK= 0.60407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358938749555E+03 -0.18538E+00 -0.24678E-01 9084 0.249E+01 0.257E-01 RMM: 2 -0.358958182819E+03 -0.19433E-01 -0.14628E-01 5426 0.813E-01 0.102E+00 RMM: 3 -0.358950331373E+03 0.78514E-02 -0.10119E-02 5524 0.214E-01 0.239E-01 RMM: 4 -0.358950140509E+03 0.19086E-03 -0.11374E-03 4689 0.740E-02 0.200E-01 RMM: 5 -0.358949917247E+03 0.22326E-03 -0.24437E-04 3888 0.388E-02 0.114E-01 RMM: 6 -0.358949846093E+03 0.71154E-04 -0.82747E-05 3572 0.254E-02 0.575E-02 RMM: 7 -0.358949878872E+03 -0.32779E-04 -0.57906E-05 3315 0.203E-02 0.978E-02 RMM: 8 -0.358949824480E+03 0.54391E-04 -0.54467E-05 3325 0.209E-02 0.392E-02 RMM: 9 -0.358949825741E+03 -0.12606E-05 -0.20739E-05 2555 0.130E-02 7245 T= 7403. E= 0.70129370E+03 F= 0.64004774E+03 E0= 0.67019260E+03 EK= 0.61246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359017037443E+03 -0.67213E-01 -0.24194E-01 8772 0.245E+01 0.214E-01 RMM: 2 -0.359032987028E+03 -0.15950E-01 -0.13363E-01 5462 0.754E-01 0.794E-01 RMM: 3 -0.359027585054E+03 0.54020E-02 -0.81285E-03 5589 0.190E-01 0.146E-01 RMM: 4 -0.359027733354E+03 -0.14830E-03 -0.81354E-04 4673 0.641E-02 0.237E-01 RMM: 5 -0.359027387334E+03 0.34602E-03 -0.19848E-04 3878 0.360E-02 0.869E-02 RMM: 6 -0.359027347891E+03 0.39443E-04 -0.61933E-05 3365 0.226E-02 0.485E-02 RMM: 7 -0.359027374999E+03 -0.27108E-04 -0.42400E-05 2999 0.181E-02 0.861E-02 RMM: 8 -0.359027331468E+03 0.43531E-04 -0.31839E-05 2649 0.172E-02 0.276E-02 RMM: 9 -0.359027331980E+03 -0.51181E-06 -0.12750E-05 2460 0.101E-02 7246 T= 7094. E= 0.69876493E+03 F= 0.64007805E+03 E0= 0.67025064E+03 EK= 0.58687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359046072943E+03 -0.18741E-01 -0.21689E-01 8688 0.237E+01 0.189E-01 RMM: 2 -0.359060458382E+03 -0.14385E-01 -0.12308E-01 5379 0.736E-01 0.714E-01 RMM: 3 -0.359055970330E+03 0.44881E-02 -0.79683E-03 5737 0.188E-01 0.169E-01 RMM: 4 -0.359055843016E+03 0.12731E-03 -0.64887E-04 4679 0.575E-02 0.145E-01 RMM: 5 -0.359055722421E+03 0.12060E-03 -0.14167E-04 3880 0.322E-02 0.915E-02 RMM: 6 -0.359055695610E+03 0.26811E-04 -0.67425E-05 3449 0.231E-02 0.708E-02 RMM: 7 -0.359055733359E+03 -0.37749E-04 -0.67881E-05 3536 0.220E-02 0.108E-01 RMM: 8 -0.359055663142E+03 0.70217E-04 -0.36454E-05 2999 0.184E-02 0.301E-02 RMM: 9 -0.359055661513E+03 0.16288E-05 -0.12134E-05 2464 0.994E-03 7247 T= 6537. E= 0.69424117E+03 F= 0.64015852E+03 E0= 0.67035780E+03 EK= 0.54083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359117972875E+03 -0.62310E-01 -0.18594E-01 8784 0.227E+01 0.211E-01 RMM: 2 -0.359133627248E+03 -0.15654E-01 -0.11111E-01 5174 0.729E-01 0.954E-01 RMM: 3 -0.359126940272E+03 0.66870E-02 -0.90966E-03 5677 0.201E-01 0.186E-01 RMM: 4 -0.359126718625E+03 0.22165E-03 -0.74886E-04 4670 0.608E-02 0.130E-01 RMM: 5 -0.359126637534E+03 0.81092E-04 -0.15271E-04 3877 0.339E-02 0.999E-02 RMM: 6 -0.359126593817E+03 0.43717E-04 -0.67298E-05 3473 0.233E-02 0.679E-02 RMM: 7 -0.359126641715E+03 -0.47898E-04 -0.75950E-05 3639 0.236E-02 0.112E-01 RMM: 8 -0.359126568063E+03 0.73653E-04 -0.45487E-05 3169 0.202E-02 0.389E-02 RMM: 9 -0.359126562698E+03 0.53652E-05 -0.13097E-05 2475 0.104E-02 7248 T= 5978. E= 0.68965545E+03 F= 0.64019844E+03 E0= 0.67042429E+03 EK= 0.49457E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359309532446E+03 -0.18296E+00 -0.15515E-01 8592 0.219E+01 0.197E-01 RMM: 2 -0.359323473183E+03 -0.13941E-01 -0.90162E-02 5303 0.653E-01 0.973E-01 RMM: 3 -0.359316652508E+03 0.68207E-02 -0.73809E-03 5485 0.183E-01 0.160E-01 RMM: 4 -0.359316550597E+03 0.10191E-03 -0.66432E-04 4658 0.559E-02 0.141E-01 RMM: 5 -0.359316441523E+03 0.10907E-03 -0.14150E-04 3876 0.324E-02 0.936E-02 RMM: 6 -0.359316411583E+03 0.29940E-04 -0.70446E-05 3494 0.233E-02 0.754E-02 RMM: 7 -0.359316450756E+03 -0.39173E-04 -0.80245E-05 3754 0.241E-02 0.109E-01 RMM: 8 -0.359316376957E+03 0.73799E-04 -0.44447E-05 3181 0.200E-02 0.332E-02 RMM: 9 -0.359316375151E+03 0.18059E-05 -0.12113E-05 2476 0.100E-02 7249 T= 5600. E= 0.68645181E+03 F= 0.64012081E+03 E0= 0.67037427E+03 EK= 0.46331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359659180598E+03 -0.34280E+00 -0.13960E-01 8328 0.215E+01 0.198E-01 RMM: 2 -0.359671065997E+03 -0.11885E-01 -0.76004E-02 5155 0.614E-01 0.924E-01 RMM: 3 -0.359665094363E+03 0.59716E-02 -0.69342E-03 5547 0.174E-01 0.173E-01 RMM: 4 -0.359664945802E+03 0.14856E-03 -0.66190E-04 4627 0.577E-02 0.135E-01 RMM: 5 -0.359664870674E+03 0.75127E-04 -0.13598E-04 3876 0.309E-02 0.107E-01 RMM: 6 -0.359664806235E+03 0.64440E-04 -0.60313E-05 3374 0.226E-02 0.535E-02 RMM: 7 -0.359664847747E+03 -0.41513E-04 -0.65602E-05 3507 0.220E-02 0.990E-02 RMM: 8 -0.359664789622E+03 0.58126E-04 -0.36432E-05 3028 0.187E-02 0.317E-02 RMM: 9 -0.359664786091E+03 0.35307E-05 -0.10405E-05 2455 0.924E-03 7250 T= 5492. E= 0.68531577E+03 F= 0.63988389E+03 E0= 0.67016671E+03 EK= 0.45432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360163732311E+03 -0.49894E+00 -0.13602E-01 8064 0.217E+01 0.200E-01 RMM: 2 -0.360173112802E+03 -0.93805E-02 -0.59682E-02 5158 0.561E-01 0.857E-01 RMM: 3 -0.360168208623E+03 0.49042E-02 -0.58163E-03 5541 0.161E-01 0.160E-01 RMM: 4 -0.360168166101E+03 0.42522E-04 -0.63696E-04 4615 0.575E-02 0.168E-01 RMM: 5 -0.360168015324E+03 0.15078E-03 -0.14271E-04 3873 0.305E-02 0.943E-02 RMM: 6 -0.360167965455E+03 0.49869E-04 -0.44899E-05 3175 0.200E-02 0.465E-02 RMM: 7 -0.360167996373E+03 -0.30918E-04 -0.50280E-05 3235 0.194E-02 0.870E-02 RMM: 8 -0.360167951052E+03 0.45322E-04 -0.31346E-05 2826 0.176E-02 0.284E-02 RMM: 9 -0.360167948332E+03 0.27194E-05 -0.90966E-06 2448 0.865E-03 7251 T= 5670. E= 0.68639095E+03 F= 0.63948887E+03 E0= 0.66980383E+03 EK= 0.46902E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360776526702E+03 -0.60858E+00 -0.14165E-01 8040 0.224E+01 0.203E-01 RMM: 2 -0.360784885655E+03 -0.83590E-02 -0.57046E-02 5235 0.559E-01 0.805E-01 RMM: 3 -0.360780685433E+03 0.42002E-02 -0.52450E-03 5530 0.151E-01 0.157E-01 RMM: 4 -0.360780737107E+03 -0.51674E-04 -0.66706E-04 4606 0.611E-02 0.205E-01 RMM: 5 -0.360780493006E+03 0.24410E-03 -0.16809E-04 3877 0.335E-02 0.954E-02 RMM: 6 -0.360780436989E+03 0.56017E-04 -0.43354E-05 3112 0.197E-02 0.396E-02 RMM: 7 -0.360780451576E+03 -0.14587E-04 -0.37856E-05 2910 0.175E-02 7252 T= 6094. E= 0.68939379E+03 F= 0.63897894E+03 E0= 0.66932955E+03 EK= 0.50415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361414998927E+03 -0.63456E+00 -0.15586E-01 7968 0.234E+01 0.222E-01 RMM: 2 -0.361422651390E+03 -0.76525E-02 -0.60034E-02 5330 0.597E-01 0.728E-01 RMM: 3 -0.361419413864E+03 0.32375E-02 -0.54369E-03 5523 0.156E-01 0.195E-01 RMM: 4 -0.361419435233E+03 -0.21369E-04 -0.76103E-04 4598 0.653E-02 0.233E-01 RMM: 5 -0.361419087455E+03 0.34778E-03 -0.23676E-04 3891 0.404E-02 0.696E-02 RMM: 6 -0.361419065025E+03 0.22430E-04 -0.39122E-05 3051 0.189E-02 0.497E-02 RMM: 7 -0.361419068665E+03 -0.36393E-05 -0.31917E-05 2662 0.160E-02 7253 T= 6652. E= 0.69346538E+03 F= 0.63843632E+03 E0= 0.66882579E+03 EK= 0.55029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361971756134E+03 -0.55269E+00 -0.16989E-01 7812 0.245E+01 0.249E-01 RMM: 2 -0.361982454686E+03 -0.10699E-01 -0.71237E-02 5319 0.661E-01 0.950E-01 RMM: 3 -0.361976882547E+03 0.55721E-02 -0.66798E-03 5501 0.176E-01 0.203E-01 RMM: 4 -0.361976900149E+03 -0.17602E-04 -0.92991E-04 4623 0.724E-02 0.245E-01 RMM: 5 -0.361976543513E+03 0.35664E-03 -0.26188E-04 3898 0.427E-02 0.110E-01 RMM: 6 -0.361976467037E+03 0.76477E-04 -0.71888E-05 3513 0.247E-02 0.441E-02 RMM: 7 -0.361976472630E+03 -0.55939E-05 -0.30081E-05 2646 0.156E-02 7254 T= 7142. E= 0.69705227E+03 F= 0.63796878E+03 E0= 0.66840050E+03 EK= 0.59083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362354961688E+03 -0.37849E+00 -0.17793E-01 7596 0.251E+01 0.229E-01 RMM: 2 -0.362364610530E+03 -0.96488E-02 -0.68609E-02 5345 0.638E-01 0.851E-01 RMM: 3 -0.362360014420E+03 0.45961E-02 -0.61285E-03 5513 0.167E-01 0.192E-01 RMM: 4 -0.362360035448E+03 -0.21028E-04 -0.81034E-04 4608 0.668E-02 0.232E-01 RMM: 5 -0.362359688895E+03 0.34655E-03 -0.22946E-04 3884 0.399E-02 0.776E-02 RMM: 6 -0.362359659628E+03 0.29267E-04 -0.41515E-05 3094 0.191E-02 0.511E-02 RMM: 7 -0.362359662660E+03 -0.30316E-05 -0.37229E-05 2687 0.167E-02 7255 T= 7340. E= 0.69839427E+03 F= 0.63767089E+03 E0= 0.66814867E+03 EK= 0.60723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362528819923E+03 -0.16916E+00 -0.17797E-01 7152 0.250E+01 0.206E-01 RMM: 2 -0.362538166088E+03 -0.93462E-02 -0.68947E-02 5165 0.637E-01 0.803E-01 RMM: 3 -0.362534021779E+03 0.41443E-02 -0.66997E-03 5575 0.173E-01 0.189E-01 RMM: 4 -0.362533930035E+03 0.91744E-04 -0.68535E-04 4615 0.623E-02 0.179E-01 RMM: 5 -0.362533764345E+03 0.16569E-03 -0.16573E-04 3879 0.336E-02 0.112E-01 RMM: 6 -0.362533686300E+03 0.78046E-04 -0.61337E-05 3392 0.235E-02 0.417E-02 RMM: 7 -0.362533702706E+03 -0.16406E-04 -0.35893E-05 2877 0.170E-02 7256 T= 7144. E= 0.69668234E+03 F= 0.63757965E+03 E0= 0.66810557E+03 EK= 0.59103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362534400760E+03 -0.71446E-03 -0.17456E-01 7080 0.244E+01 0.228E-01 RMM: 2 -0.362548125338E+03 -0.13725E-01 -0.68679E-02 5159 0.634E-01 0.114E+00 RMM: 3 -0.362539529086E+03 0.85963E-02 -0.75200E-03 5426 0.195E-01 0.215E-01 RMM: 4 -0.362539269746E+03 0.25934E-03 -0.73783E-04 4622 0.597E-02 0.114E-01 RMM: 5 -0.362539235480E+03 0.34266E-04 -0.12903E-04 3874 0.302E-02 0.112E-01 RMM: 6 -0.362539162247E+03 0.73232E-04 -0.57052E-05 3308 0.222E-02 0.454E-02 RMM: 7 -0.362539199714E+03 -0.37467E-04 -0.37769E-05 2931 0.177E-02 0.930E-02 RMM: 8 -0.362539150502E+03 0.49212E-04 -0.35399E-05 2715 0.181E-02 0.356E-02 RMM: 9 -0.362539144524E+03 0.59780E-05 -0.12274E-05 2455 0.104E-02 7257 T= 6658. E= 0.69273636E+03 F= 0.63765628E+03 E0= 0.66823299E+03 EK= 0.55080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362465012914E+03 0.74138E-01 -0.16060E-01 7560 0.234E+01 0.171E-01 RMM: 2 -0.362474143998E+03 -0.91311E-02 -0.65274E-02 5257 0.606E-01 0.772E-01 RMM: 3 -0.362470147482E+03 0.39965E-02 -0.54085E-03 5490 0.158E-01 0.163E-01 RMM: 4 -0.362470038418E+03 0.10906E-03 -0.47740E-04 4574 0.497E-02 0.123E-01 RMM: 5 -0.362469942821E+03 0.95597E-04 -0.11270E-04 3860 0.293E-02 0.832E-02 RMM: 6 -0.362469917484E+03 0.25337E-04 -0.54340E-05 3294 0.214E-02 0.631E-02 RMM: 7 -0.362469941671E+03 -0.24186E-04 -0.44362E-05 3080 0.190E-02 0.933E-02 RMM: 8 -0.362469887325E+03 0.54346E-04 -0.32406E-05 2790 0.175E-02 0.273E-02 RMM: 9 -0.362469887562E+03 -0.23749E-06 -0.13645E-05 2455 0.102E-02 7258 T= 6105. E= 0.68831655E+03 F= 0.63780773E+03 E0= 0.66843627E+03 EK= 0.50509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362426385089E+03 0.43502E-01 -0.14905E-01 7608 0.225E+01 0.199E-01 RMM: 2 -0.362436675002E+03 -0.10290E-01 -0.61253E-02 5279 0.607E-01 0.927E-01 RMM: 3 -0.362431078875E+03 0.55961E-02 -0.57266E-03 5460 0.166E-01 0.197E-01 RMM: 4 -0.362430838062E+03 0.24081E-03 -0.55177E-04 4604 0.532E-02 0.104E-01 RMM: 5 -0.362430789941E+03 0.48121E-04 -0.12688E-04 3838 0.317E-02 0.905E-02 RMM: 6 -0.362430754821E+03 0.35120E-04 -0.48991E-05 3187 0.208E-02 0.608E-02 RMM: 7 -0.362430781673E+03 -0.26852E-04 -0.50119E-05 3239 0.202E-02 0.912E-02 RMM: 8 -0.362430732720E+03 0.48953E-04 -0.29938E-05 2847 0.173E-02 0.311E-02 RMM: 9 -0.362430732482E+03 0.23867E-06 -0.12371E-05 2460 0.997E-03 7259 T= 5686. E= 0.68496615E+03 F= 0.63792884E+03 E0= 0.66860979E+03 EK= 0.47037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362496114513E+03 -0.65382E-01 -0.14249E-01 7800 0.219E+01 0.171E-01 RMM: 2 -0.362504178516E+03 -0.80640E-02 -0.56380E-02 5197 0.571E-01 0.753E-01 RMM: 3 -0.362500544737E+03 0.36338E-02 -0.52291E-03 5499 0.150E-01 0.155E-01 RMM: 4 -0.362500407938E+03 0.13680E-03 -0.43046E-04 4468 0.476E-02 0.105E-01 RMM: 5 -0.362500351232E+03 0.56707E-04 -0.10507E-04 3816 0.284E-02 0.835E-02 RMM: 6 -0.362500324065E+03 0.27167E-04 -0.50185E-05 3237 0.206E-02 0.568E-02 RMM: 7 -0.362500345982E+03 -0.21917E-04 -0.37632E-05 2929 0.180E-02 0.843E-02 RMM: 8 -0.362500303264E+03 0.42718E-04 -0.26466E-05 2660 0.164E-02 0.247E-02 RMM: 9 -0.362500305390E+03 -0.21263E-05 -0.98694E-06 2447 0.876E-03 7260 T= 5511. E= 0.68352898E+03 F= 0.63793953E+03 E0= 0.66867278E+03 EK= 0.45589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362711717400E+03 -0.21141E+00 -0.14203E-01 7800 0.219E+01 0.179E-01 RMM: 2 -0.362720882086E+03 -0.91647E-02 -0.49787E-02 5195 0.529E-01 0.898E-01 RMM: 3 -0.362715484374E+03 0.53977E-02 -0.49505E-03 5406 0.154E-01 0.158E-01 RMM: 4 -0.362715371840E+03 0.11253E-03 -0.51313E-04 4560 0.507E-02 0.109E-01 RMM: 5 -0.362715355097E+03 0.16744E-04 -0.10104E-04 3797 0.263E-02 7261 T= 5617. E= 0.68427185E+03 F= 0.63780118E+03 E0= 0.66858549E+03 EK= 0.46471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363065505634E+03 -0.35013E+00 -0.14939E-01 8244 0.224E+01 0.173E-01 RMM: 2 -0.363072130161E+03 -0.66245E-02 -0.50273E-02 5365 0.511E-01 0.631E-01 RMM: 3 -0.363069393299E+03 0.27369E-02 -0.39397E-03 5417 0.133E-01 0.164E-01 RMM: 4 -0.363069358579E+03 0.34720E-04 -0.51410E-04 4536 0.534E-02 0.159E-01 RMM: 5 -0.363069185964E+03 0.17262E-03 -0.13572E-04 3884 0.288E-02 0.753E-02 RMM: 6 -0.363069187195E+03 -0.12316E-05 -0.62615E-05 3418 0.216E-02 7262 T= 5985. E= 0.68703175E+03 F= 0.63751886E+03 E0= 0.66835108E+03 EK= 0.49513E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363511143590E+03 -0.44196E+00 -0.16306E-01 8388 0.232E+01 0.325E-01 RMM: 2 -0.363535755817E+03 -0.24612E-01 -0.66831E-02 5290 0.613E-01 0.179E+00 RMM: 3 -0.363515577772E+03 0.20178E-01 -0.11680E-02 5322 0.265E-01 0.303E-01 RMM: 4 -0.363515077647E+03 0.50012E-03 -0.14080E-03 4637 0.784E-02 0.141E-01 RMM: 5 -0.363515037138E+03 0.40510E-04 -0.20213E-04 3880 0.361E-02 0.133E-01 RMM: 6 -0.363514927493E+03 0.10964E-03 -0.55728E-05 3330 0.222E-02 0.351E-02 RMM: 7 -0.363514924365E+03 0.31279E-05 -0.15869E-05 2493 0.121E-02 7263 T= 6525. E= 0.69111941E+03 F= 0.63713871E+03 E0= 0.66801233E+03 EK= 0.53981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363970341937E+03 -0.45541E+00 -0.18037E-01 8784 0.241E+01 0.360E-01 RMM: 2 -0.364002971216E+03 -0.32629E-01 -0.92570E-02 5324 0.738E-01 0.203E+00 RMM: 3 -0.363976991687E+03 0.25980E-01 -0.14606E-02 5345 0.296E-01 0.369E-01 RMM: 4 -0.363976107188E+03 0.88450E-03 -0.18650E-03 4693 0.931E-02 0.148E-01 RMM: 5 -0.363976064279E+03 0.42909E-04 -0.30188E-04 3990 0.449E-02 0.152E-01 RMM: 6 -0.363975908680E+03 0.15560E-03 -0.90647E-05 3730 0.272E-02 0.551E-02 RMM: 7 -0.363975909637E+03 -0.95737E-06 -0.36213E-05 2909 0.172E-02 7264 T= 7059. E= 0.69513646E+03 F= 0.63673765E+03 E0= 0.66764143E+03 EK= 0.58399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364355371182E+03 -0.37946E+00 -0.20134E-01 8496 0.248E+01 0.268E-01 RMM: 2 -0.364372869824E+03 -0.17499E-01 -0.94104E-02 5318 0.707E-01 0.126E+00 RMM: 3 -0.364362580853E+03 0.10289E-01 -0.10075E-02 5373 0.225E-01 0.228E-01 RMM: 4 -0.364362411602E+03 0.16925E-03 -0.11775E-03 4650 0.737E-02 0.185E-01 RMM: 5 -0.364362257023E+03 0.15458E-03 -0.22635E-04 3882 0.389E-02 0.127E-01 RMM: 6 -0.364362156786E+03 0.10024E-03 -0.74470E-05 3507 0.251E-02 0.458E-02 RMM: 7 -0.364362169144E+03 -0.12358E-04 -0.29060E-05 2644 0.160E-02 7265 T= 7355. E= 0.69725507E+03 F= 0.63640672E+03 E0= 0.66732696E+03 EK= 0.60848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364600657979E+03 -0.23850E+00 -0.20696E-01 8604 0.248E+01 0.250E-01 RMM: 2 -0.364617118321E+03 -0.16460E-01 -0.98762E-02 5238 0.726E-01 0.115E+00 RMM: 3 -0.364608541933E+03 0.85764E-02 -0.10384E-02 5413 0.223E-01 0.246E-01 RMM: 4 -0.364608271449E+03 0.27048E-03 -0.10845E-03 4664 0.709E-02 0.160E-01 RMM: 5 -0.364608139156E+03 0.13229E-03 -0.20526E-04 3884 0.373E-02 0.109E-01 RMM: 6 -0.364608064836E+03 0.74320E-04 -0.62332E-05 3363 0.228E-02 0.481E-02 RMM: 7 -0.364608070803E+03 -0.59669E-05 -0.39200E-05 2897 0.184E-02 7266 T= 7261. E= 0.69627959E+03 F= 0.63621295E+03 E0= 0.66713302E+03 EK= 0.60067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364691837700E+03 -0.83773E-01 -0.20237E-01 8376 0.242E+01 0.211E-01 RMM: 2 -0.364709259131E+03 -0.17421E-01 -0.98845E-02 5141 0.704E-01 0.117E+00 RMM: 3 -0.364699826288E+03 0.94328E-02 -0.98091E-03 5410 0.214E-01 0.194E-01 RMM: 4 -0.364699638423E+03 0.18786E-03 -0.90089E-04 4699 0.642E-02 0.122E-01 RMM: 5 -0.364699601109E+03 0.37314E-04 -0.15024E-04 3865 0.313E-02 0.109E-01 RMM: 6 -0.364699531598E+03 0.69511E-04 -0.52870E-05 3244 0.210E-02 0.440E-02 RMM: 7 -0.364699558575E+03 -0.26977E-04 -0.30954E-05 2713 0.165E-02 0.810E-02 RMM: 8 -0.364699523758E+03 0.34817E-04 -0.37753E-05 2720 0.174E-02 0.352E-02 RMM: 9 -0.364699517951E+03 0.58066E-05 -0.12921E-05 2455 0.109E-02 7267 T= 6824. E= 0.69262289E+03 F= 0.63617161E+03 E0= 0.66707716E+03 EK= 0.56451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364666463308E+03 0.33060E-01 -0.18632E-01 8400 0.232E+01 0.163E-01 RMM: 2 -0.364678878733E+03 -0.12415E-01 -0.92820E-02 5224 0.653E-01 0.797E-01 RMM: 3 -0.364673738564E+03 0.51402E-02 -0.75168E-03 5420 0.190E-01 0.133E-01 RMM: 4 -0.364673753109E+03 -0.14545E-04 -0.63590E-04 4708 0.551E-02 0.153E-01 RMM: 5 -0.364673602564E+03 0.15055E-03 -0.11651E-04 3793 0.283E-02 0.679E-02 RMM: 6 -0.364673583094E+03 0.19469E-04 -0.33386E-05 2866 0.172E-02 7268 T= 6252. E= 0.68796564E+03 F= 0.63624621E+03 E0= 0.66712648E+03 EK= 0.51719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364587287280E+03 0.86315E-01 -0.17203E-01 8400 0.222E+01 0.266E-01 RMM: 2 -0.364610819694E+03 -0.23532E-01 -0.89796E-02 5212 0.672E-01 0.155E+00 RMM: 3 -0.364594122313E+03 0.16697E-01 -0.10111E-02 5369 0.232E-01 0.246E-01 RMM: 4 -0.364593742722E+03 0.37959E-03 -0.10699E-03 4703 0.672E-02 0.113E-01 RMM: 5 -0.364593710634E+03 0.32088E-04 -0.16922E-04 3880 0.347E-02 0.115E-01 RMM: 6 -0.364593639507E+03 0.71127E-04 -0.81787E-05 3627 0.256E-02 0.609E-02 RMM: 7 -0.364593706252E+03 -0.66745E-04 -0.74383E-05 3568 0.231E-02 0.121E-01 RMM: 8 -0.364593623584E+03 0.82668E-04 -0.47720E-05 3166 0.204E-02 0.407E-02 RMM: 9 -0.364593619601E+03 0.39825E-05 -0.17957E-05 2511 0.125E-02 7269 T= 5763. E= 0.68404751E+03 F= 0.63637311E+03 E0= 0.66722201E+03 EK= 0.47674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364512112778E+03 0.81511E-01 -0.16041E-01 8388 0.215E+01 0.266E-01 RMM: 2 -0.364534032983E+03 -0.21920E-01 -0.82033E-02 5017 0.652E-01 0.154E+00 RMM: 3 -0.364518294650E+03 0.15738E-01 -0.97069E-03 5363 0.232E-01 0.284E-01 RMM: 4 -0.364517781832E+03 0.51282E-03 -0.12201E-03 4676 0.761E-02 0.114E-01 RMM: 5 -0.364517796886E+03 -0.15053E-04 -0.18505E-04 3877 0.360E-02 7270 T= 5494. E= 0.68194294E+03 F= 0.63649320E+03 E0= 0.66730874E+03 EK= 0.45450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364476270239E+03 0.41512E-01 -0.15539E-01 8520 0.212E+01 0.181E-01 RMM: 2 -0.364488435290E+03 -0.12165E-01 -0.82743E-02 5290 0.621E-01 0.865E-01 RMM: 3 -0.364482892746E+03 0.55425E-02 -0.70033E-03 5462 0.176E-01 0.183E-01 RMM: 4 -0.364482705530E+03 0.18722E-03 -0.59570E-04 4687 0.518E-02 0.108E-01 RMM: 5 -0.364482649015E+03 0.56514E-04 -0.12917E-04 3889 0.278E-02 0.104E-01 RMM: 6 -0.364482601049E+03 0.47966E-04 -0.85916E-05 3702 0.250E-02 0.684E-02 RMM: 7 -0.364482661382E+03 -0.60333E-04 -0.84427E-05 3760 0.233E-02 0.121E-01 RMM: 8 -0.364482571817E+03 0.89565E-04 -0.43565E-05 3168 0.198E-02 0.282E-02 RMM: 9 -0.364482570165E+03 0.16522E-05 -0.10713E-05 2463 0.963E-03 7271 T= 5501. E= 0.68208053E+03 F= 0.63656882E+03 E0= 0.66735053E+03 EK= 0.45512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364494721468E+03 -0.12150E-01 -0.15819E-01 8388 0.215E+01 0.198E-01 RMM: 2 -0.364507186472E+03 -0.12465E-01 -0.84498E-02 4891 0.646E-01 0.920E-01 RMM: 3 -0.364501272508E+03 0.59140E-02 -0.79978E-03 5665 0.184E-01 0.169E-01 RMM: 4 -0.364501147224E+03 0.12528E-03 -0.73857E-04 4660 0.616E-02 0.151E-01 RMM: 5 -0.364501045534E+03 0.10169E-03 -0.12925E-04 3778 0.285E-02 0.959E-02 RMM: 6 -0.364500988657E+03 0.56877E-04 -0.35248E-05 2992 0.184E-02 0.234E-02 RMM: 7 -0.364500993342E+03 -0.46848E-05 -0.13673E-05 2478 0.111E-02 7272 T= 5786. E= 0.68445211E+03 F= 0.63658595E+03 E0= 0.66733480E+03 EK= 0.47866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364553528996E+03 -0.52540E-01 -0.15936E-01 8820 0.222E+01 0.143E-01 RMM: 2 -0.364561805475E+03 -0.82765E-02 -0.77875E-02 5315 0.597E-01 0.469E-01 RMM: 3 -0.364559690339E+03 0.21151E-02 -0.55634E-03 5717 0.149E-01 0.120E-01 RMM: 4 -0.364559665623E+03 0.24717E-04 -0.41927E-04 4259 0.465E-02 0.140E-01 RMM: 5 -0.364559525551E+03 0.14007E-03 -0.96810E-05 3685 0.269E-02 0.560E-02 RMM: 6 -0.364559526757E+03 -0.12067E-05 -0.33711E-05 2884 0.166E-02 7273 T= 6291. E= 0.68860452E+03 F= 0.63655778E+03 E0= 0.66727469E+03 EK= 0.52047E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364616440914E+03 -0.56915E-01 -0.17631E-01 8760 0.232E+01 0.285E-01 RMM: 2 -0.364639705869E+03 -0.23265E-01 -0.97068E-02 5173 0.703E-01 0.156E+00 RMM: 3 -0.364623676831E+03 0.16029E-01 -0.11382E-02 5375 0.246E-01 0.262E-01 RMM: 4 -0.364623262243E+03 0.41459E-03 -0.12482E-03 4694 0.724E-02 0.115E-01 RMM: 5 -0.364623242229E+03 0.20014E-04 -0.18223E-04 3886 0.331E-02 0.122E-01 RMM: 6 -0.364623154901E+03 0.87328E-04 -0.57972E-05 3330 0.222E-02 0.469E-02 RMM: 7 -0.364623161652E+03 -0.67506E-05 -0.28547E-05 2694 0.159E-02 7274 T= 6877. E= 0.69340911E+03 F= 0.63651959E+03 E0= 0.66720578E+03 EK= 0.56890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364641371327E+03 -0.18216E-01 -0.19101E-01 8832 0.241E+01 0.247E-01 RMM: 2 -0.364660918317E+03 -0.19547E-01 -0.10536E-01 5299 0.725E-01 0.128E+00 RMM: 3 -0.364649788138E+03 0.11130E-01 -0.10184E-02 5407 0.224E-01 0.289E-01 RMM: 4 -0.364649254973E+03 0.53316E-03 -0.12486E-03 4681 0.762E-02 0.123E-01 RMM: 5 -0.364649204390E+03 0.50583E-04 -0.20304E-04 3888 0.373E-02 0.109E-01 RMM: 6 -0.364649128333E+03 0.76057E-04 -0.47420E-05 3181 0.201E-02 0.418E-02 RMM: 7 -0.364649135964E+03 -0.76310E-05 -0.28264E-05 2602 0.155E-02 7275 T= 7317. E= 0.69704894E+03 F= 0.63651485E+03 E0= 0.66717175E+03 EK= 0.60534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364598685543E+03 0.50443E-01 -0.20919E-01 8376 0.245E+01 0.240E-01 RMM: 2 -0.364620861752E+03 -0.22176E-01 -0.13797E-01 5011 0.831E-01 0.126E+00 RMM: 3 -0.364609777756E+03 0.11084E-01 -0.13659E-02 5536 0.248E-01 0.198E-01 RMM: 4 -0.364609518428E+03 0.25933E-03 -0.10648E-03 4853 0.674E-02 0.122E-01 RMM: 5 -0.364609456169E+03 0.62259E-04 -0.15932E-04 3874 0.322E-02 0.104E-01 RMM: 6 -0.364609395132E+03 0.61036E-04 -0.57969E-05 3306 0.215E-02 0.486E-02 RMM: 7 -0.364609418718E+03 -0.23585E-04 -0.33081E-05 2755 0.167E-02 0.882E-02 RMM: 8 -0.364609368033E+03 0.50685E-04 -0.43619E-05 3057 0.192E-02 0.281E-02 RMM: 9 -0.364609370640E+03 -0.26079E-05 -0.16653E-05 2486 0.118E-02 7276 T= 7401. E= 0.69780011E+03 F= 0.63657240E+03 E0= 0.66720233E+03 EK= 0.61228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364501478499E+03 0.10789E+00 -0.20333E-01 8424 0.243E+01 0.177E-01 RMM: 2 -0.364514903141E+03 -0.13425E-01 -0.12104E-01 5170 0.748E-01 0.655E-01 RMM: 3 -0.364510988210E+03 0.39149E-02 -0.93729E-03 5913 0.195E-01 0.146E-01 RMM: 4 -0.364510899760E+03 0.88450E-04 -0.65823E-04 4667 0.579E-02 0.158E-01 RMM: 5 -0.364510763276E+03 0.13648E-03 -0.13017E-04 3814 0.300E-02 0.883E-02 RMM: 6 -0.364510717271E+03 0.46005E-04 -0.37408E-05 3017 0.186E-02 0.342E-02 RMM: 7 -0.364510727761E+03 -0.10490E-04 -0.24341E-05 2546 0.146E-02 7277 T= 7085. E= 0.69529691E+03 F= 0.63668594E+03 E0= 0.66729108E+03 EK= 0.58611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364385579463E+03 0.12514E+00 -0.19602E-01 8580 0.236E+01 0.189E-01 RMM: 2 -0.364400853294E+03 -0.15274E-01 -0.11933E-01 5219 0.741E-01 0.846E-01 RMM: 3 -0.364394951559E+03 0.59017E-02 -0.91049E-03 5776 0.197E-01 0.191E-01 RMM: 4 -0.364394705907E+03 0.24565E-03 -0.68461E-04 4696 0.571E-02 0.105E-01 RMM: 5 -0.364394651160E+03 0.54747E-04 -0.10117E-04 3754 0.259E-02 0.901E-02 RMM: 6 -0.364394613125E+03 0.38035E-04 -0.36964E-05 2997 0.179E-02 0.545E-02 RMM: 7 -0.364394645320E+03 -0.32195E-04 -0.65923E-05 3533 0.212E-02 0.963E-02 RMM: 8 -0.364394587619E+03 0.57701E-04 -0.43777E-05 3058 0.191E-02 0.302E-02 RMM: 9 -0.364394586581E+03 0.10374E-05 -0.13834E-05 2472 0.107E-02 7278 T= 6531. E= 0.69084253E+03 F= 0.63681424E+03 E0= 0.66739838E+03 EK= 0.54028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364304106239E+03 0.90481E-01 -0.18313E-01 8652 0.227E+01 0.184E-01 RMM: 2 -0.364317536365E+03 -0.13430E-01 -0.11040E-01 5149 0.719E-01 0.758E-01 RMM: 3 -0.364312746782E+03 0.47896E-02 -0.86685E-03 5843 0.191E-01 0.171E-01 RMM: 4 -0.364312571845E+03 0.17494E-03 -0.65344E-04 4669 0.578E-02 0.131E-01 RMM: 5 -0.364312485441E+03 0.86404E-04 -0.12393E-04 3821 0.292E-02 0.960E-02 RMM: 6 -0.364312432745E+03 0.52695E-04 -0.43621E-05 3121 0.201E-02 0.363E-02 RMM: 7 -0.364312447225E+03 -0.14480E-04 -0.23241E-05 2562 0.140E-02 7279 T= 5977. E= 0.68634864E+03 F= 0.63690551E+03 E0= 0.66747246E+03 EK= 0.49443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364291044631E+03 0.21388E-01 -0.16480E-01 8928 0.220E+01 0.169E-01 RMM: 2 -0.364301952757E+03 -0.10908E-01 -0.88316E-02 5333 0.631E-01 0.706E-01 RMM: 3 -0.364297801021E+03 0.41517E-02 -0.62534E-03 5739 0.164E-01 0.164E-01 RMM: 4 -0.364297644286E+03 0.15673E-03 -0.51505E-04 4533 0.486E-02 0.106E-01 RMM: 5 -0.364297578569E+03 0.65717E-04 -0.86018E-05 3671 0.252E-02 0.794E-02 RMM: 6 -0.364297552895E+03 0.25675E-04 -0.32504E-05 2844 0.170E-02 0.557E-02 RMM: 7 -0.364297573256E+03 -0.20361E-04 -0.67494E-05 3581 0.211E-02 0.869E-02 RMM: 8 -0.364297527589E+03 0.45667E-04 -0.35967E-05 2979 0.178E-02 0.235E-02 RMM: 9 -0.364297531350E+03 -0.37609E-05 -0.12963E-05 2466 0.104E-02 7280 T= 5599. E= 0.68324318E+03 F= 0.63692602E+03 E0= 0.66747927E+03 EK= 0.46317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364345752857E+03 -0.48225E-01 -0.15734E-01 8544 0.216E+01 0.155E-01 RMM: 2 -0.364355344910E+03 -0.95921E-02 -0.84884E-02 5172 0.619E-01 0.580E-01 RMM: 3 -0.364352340470E+03 0.30044E-02 -0.65689E-03 5785 0.160E-01 0.129E-01 RMM: 4 -0.364352279457E+03 0.61014E-04 -0.47718E-04 4458 0.498E-02 0.137E-01 RMM: 5 -0.364352176488E+03 0.10297E-03 -0.92761E-05 3606 0.264E-02 0.820E-02 RMM: 6 -0.364352137015E+03 0.39474E-04 -0.32174E-05 2866 0.175E-02 0.294E-02 RMM: 7 -0.364352147622E+03 -0.10607E-04 -0.17705E-05 2516 0.123E-02 7281 T= 5481. E= 0.68221562E+03 F= 0.63687296E+03 E0= 0.66741594E+03 EK= 0.45343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364434859365E+03 -0.82722E-01 -0.15232E-01 8736 0.218E+01 0.152E-01 RMM: 2 -0.364443186026E+03 -0.83267E-02 -0.71452E-02 5300 0.562E-01 0.581E-01 RMM: 3 -0.364440241649E+03 0.29444E-02 -0.51602E-03 5773 0.146E-01 0.140E-01 RMM: 4 -0.364440132608E+03 0.10904E-03 -0.38479E-04 4300 0.424E-02 0.101E-01 RMM: 5 -0.364440069076E+03 0.63532E-04 -0.62209E-05 3348 0.219E-02 0.685E-02 RMM: 6 -0.364440051564E+03 0.17512E-04 -0.31972E-05 2774 0.171E-02 7282 T= 5639. E= 0.68343318E+03 F= 0.63678242E+03 E0= 0.66731722E+03 EK= 0.46651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364485915497E+03 -0.45846E-01 -0.15929E-01 8784 0.224E+01 0.276E-01 RMM: 2 -0.364505876899E+03 -0.19961E-01 -0.74828E-02 5244 0.597E-01 0.145E+00 RMM: 3 -0.364491332603E+03 0.14544E-01 -0.93446E-03 5365 0.228E-01 0.309E-01 RMM: 4 -0.364490709023E+03 0.62358E-03 -0.11498E-03 4659 0.707E-02 0.104E-01 RMM: 5 -0.364490695840E+03 0.13183E-04 -0.17054E-04 3896 0.327E-02 7283 T= 6036. E= 0.68665899E+03 F= 0.63672523E+03 E0= 0.66725193E+03 EK= 0.49934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364399356907E+03 0.91352E-01 -0.17476E-01 8916 0.234E+01 0.283E-01 RMM: 2 -0.364422051424E+03 -0.22695E-01 -0.81394E-02 5406 0.613E-01 0.158E+00 RMM: 3 -0.364405344913E+03 0.16707E-01 -0.92929E-03 5355 0.227E-01 0.350E-01 RMM: 4 -0.364404541060E+03 0.80385E-03 -0.12061E-03 4659 0.734E-02 0.110E-01 RMM: 5 -0.364404491823E+03 0.49237E-04 -0.17526E-04 3890 0.339E-02 0.111E-01 RMM: 6 -0.364404417781E+03 0.74042E-04 -0.70188E-05 3560 0.236E-02 0.654E-02 RMM: 7 -0.364404467949E+03 -0.50168E-04 -0.88962E-05 3848 0.228E-02 0.120E-01 RMM: 8 -0.364404377524E+03 0.90425E-04 -0.93079E-05 3879 0.252E-02 0.488E-02 RMM: 9 -0.364404367887E+03 0.96378E-05 -0.19186E-05 2555 0.130E-02 7284 T= 6567. E= 0.69112440E+03 F= 0.63680165E+03 E0= 0.66732026E+03 EK= 0.54323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364071354947E+03 0.33302E+00 -0.19751E-01 8604 0.243E+01 0.270E-01 RMM: 2 -0.364090005661E+03 -0.18651E-01 -0.10047E-01 5093 0.717E-01 0.130E+00 RMM: 3 -0.364078763996E+03 0.11242E-01 -0.10251E-02 5458 0.225E-01 0.281E-01 RMM: 4 -0.364078410446E+03 0.35355E-03 -0.13042E-03 4677 0.792E-02 0.184E-01 RMM: 5 -0.364078202237E+03 0.20821E-03 -0.25001E-04 3904 0.424E-02 0.850E-02 RMM: 6 -0.364078166545E+03 0.35692E-04 -0.61136E-05 3372 0.228E-02 0.422E-02 RMM: 7 -0.364078169267E+03 -0.27222E-05 -0.24626E-05 2575 0.151E-02 7285 T= 7046. E= 0.69540464E+03 F= 0.63711515E+03 E0= 0.66762220E+03 EK= 0.58289E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363447505320E+03 0.63066E+00 -0.20716E-01 8628 0.249E+01 0.188E-01 RMM: 2 -0.363460191888E+03 -0.12687E-01 -0.94938E-02 5582 0.641E-01 0.828E-01 RMM: 3 -0.363454548305E+03 0.56436E-02 -0.62297E-03 5524 0.170E-01 0.214E-01 RMM: 4 -0.363454253540E+03 0.29476E-03 -0.61521E-04 4691 0.520E-02 0.948E-02 RMM: 5 -0.363454198096E+03 0.55444E-04 -0.96378E-05 3798 0.252E-02 0.889E-02 RMM: 6 -0.363454159355E+03 0.38741E-04 -0.39126E-05 2995 0.185E-02 0.625E-02 RMM: 7 -0.363454200270E+03 -0.40915E-04 -0.78311E-05 3745 0.218E-02 0.113E-01 RMM: 8 -0.363454116993E+03 0.83278E-04 -0.70222E-05 3669 0.215E-02 0.420E-02 RMM: 9 -0.363454110170E+03 0.68230E-05 -0.18944E-05 2537 0.124E-02 7286 T= 7264. E= 0.69781795E+03 F= 0.63772405E+03 E0= 0.66821619E+03 EK= 0.60094E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362565681506E+03 0.88844E+00 -0.21239E-01 8268 0.249E+01 0.202E-01 RMM: 2 -0.362581042736E+03 -0.15361E-01 -0.10765E-01 5206 0.703E-01 0.957E-01 RMM: 3 -0.362573930463E+03 0.71123E-02 -0.85864E-03 5576 0.198E-01 0.170E-01 RMM: 4 -0.362573845423E+03 0.85040E-04 -0.74038E-04 4685 0.601E-02 0.155E-01 RMM: 5 -0.362573712048E+03 0.13337E-03 -0.12764E-04 3870 0.297E-02 0.886E-02 RMM: 6 -0.362573664427E+03 0.47621E-04 -0.34115E-05 2942 0.177E-02 0.424E-02 RMM: 7 -0.362573678118E+03 -0.13691E-04 -0.30000E-05 2637 0.161E-02 7287 T= 7116. E= 0.69745409E+03 F= 0.63858678E+03 E0= 0.66905944E+03 EK= 0.58867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361576095021E+03 0.99757E+00 -0.20563E-01 8472 0.242E+01 0.236E-01 RMM: 2 -0.361592249860E+03 -0.16155E-01 -0.11249E-01 5319 0.749E-01 0.101E+00 RMM: 3 -0.361584877872E+03 0.73720E-02 -0.10010E-02 5599 0.212E-01 0.220E-01 RMM: 4 -0.361584604342E+03 0.27353E-03 -0.86827E-04 4678 0.634E-02 0.134E-01 RMM: 5 -0.361584508597E+03 0.95745E-04 -0.13350E-04 3891 0.294E-02 0.989E-02 RMM: 6 -0.361584458881E+03 0.49716E-04 -0.39000E-05 3005 0.186E-02 0.533E-02 RMM: 7 -0.361584485495E+03 -0.26614E-04 -0.50626E-05 3224 0.193E-02 0.885E-02 RMM: 8 -0.361584439097E+03 0.46399E-04 -0.51963E-05 3191 0.197E-02 0.362E-02 RMM: 9 -0.361584438087E+03 0.10098E-05 -0.18979E-05 2501 0.126E-02 7288 T= 6687. E= 0.69487459E+03 F= 0.63955543E+03 E0= 0.67000476E+03 EK= 0.55319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360673680530E+03 0.91076E+00 -0.18556E-01 8220 0.233E+01 0.259E-01 RMM: 2 -0.360692567944E+03 -0.18887E-01 -0.11694E-01 5180 0.790E-01 0.119E+00 RMM: 3 -0.360682897762E+03 0.96702E-02 -0.11164E-02 5598 0.223E-01 0.242E-01 RMM: 4 -0.360682588145E+03 0.30962E-03 -0.11112E-03 4674 0.758E-02 0.171E-01 RMM: 5 -0.360682454082E+03 0.13406E-03 -0.21063E-04 3897 0.372E-02 0.127E-01 RMM: 6 -0.360682354387E+03 0.99695E-04 -0.67045E-05 3460 0.240E-02 0.474E-02 RMM: 7 -0.360682358105E+03 -0.37175E-05 -0.26319E-05 2577 0.151E-02 7289 T= 6185. E= 0.69160188E+03 F= 0.64043356E+03 E0= 0.67085870E+03 EK= 0.51168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360021957403E+03 0.66040E+00 -0.16277E-01 8364 0.225E+01 0.223E-01 RMM: 2 -0.360034966474E+03 -0.13009E-01 -0.87741E-02 5356 0.673E-01 0.943E-01 RMM: 3 -0.360028809042E+03 0.61574E-02 -0.75062E-03 5519 0.187E-01 0.231E-01 RMM: 4 -0.360028514227E+03 0.29482E-03 -0.74587E-04 4645 0.591E-02 0.128E-01 RMM: 5 -0.360028403871E+03 0.11036E-03 -0.13402E-04 3884 0.303E-02 0.839E-02 RMM: 6 -0.360028381084E+03 0.22787E-04 -0.42170E-05 3061 0.189E-02 0.653E-02 RMM: 7 -0.360028404588E+03 -0.23504E-04 -0.80013E-05 3813 0.226E-02 0.946E-02 RMM: 8 -0.360028351224E+03 0.53364E-04 -0.47422E-05 3202 0.195E-02 0.289E-02 RMM: 9 -0.360028363245E+03 -0.12021E-04 -0.19011E-05 2533 0.129E-02 7290 T= 5804. E= 0.68907507E+03 F= 0.64105996E+03 E0= 0.67146018E+03 EK= 0.48015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359692021855E+03 0.33633E+00 -0.15618E-01 8088 0.220E+01 0.210E-01 RMM: 2 -0.359702812149E+03 -0.10790E-01 -0.81760E-02 5251 0.640E-01 0.813E-01 RMM: 3 -0.359698196261E+03 0.46159E-02 -0.69410E-03 5650 0.170E-01 0.181E-01 RMM: 4 -0.359698101822E+03 0.94439E-04 -0.73662E-04 4636 0.628E-02 0.181E-01 RMM: 5 -0.359697941280E+03 0.16054E-03 -0.17003E-04 3883 0.333E-02 0.115E-01 RMM: 6 -0.359697858418E+03 0.82862E-04 -0.54983E-05 3300 0.223E-02 0.348E-02 RMM: 7 -0.359697866252E+03 -0.78340E-05 -0.21184E-05 2533 0.130E-02 7291 T= 5654. E= 0.68812914E+03 F= 0.64135922E+03 E0= 0.67173841E+03 EK= 0.46770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359666004278E+03 0.31854E-01 -0.15844E-01 8784 0.221E+01 0.182E-01 RMM: 2 -0.359676049908E+03 -0.10046E-01 -0.73835E-02 5457 0.578E-01 0.768E-01 RMM: 3 -0.359671514783E+03 0.45351E-02 -0.53231E-03 5525 0.156E-01 0.192E-01 RMM: 4 -0.359671295575E+03 0.21921E-03 -0.54251E-04 4530 0.489E-02 0.897E-02 RMM: 5 -0.359671250162E+03 0.45414E-04 -0.81824E-05 3721 0.216E-02 0.822E-02 RMM: 6 -0.359671225573E+03 0.24588E-04 -0.35796E-05 2965 0.177E-02 0.598E-02 RMM: 7 -0.359671268195E+03 -0.42621E-04 -0.66626E-05 3513 0.205E-02 0.105E-01 RMM: 8 -0.359671198722E+03 0.69473E-04 -0.52362E-05 3273 0.206E-02 0.323E-02 RMM: 9 -0.359671194351E+03 0.43714E-05 -0.11698E-05 2466 0.986E-03 7292 T= 5764. E= 0.68903601E+03 F= 0.64135145E+03 E0= 0.67171238E+03 EK= 0.47685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359848683069E+03 -0.17748E+00 -0.17233E-01 8928 0.226E+01 0.212E-01 RMM: 2 -0.359862601501E+03 -0.13918E-01 -0.10000E-01 5277 0.675E-01 0.912E-01 RMM: 3 -0.359856523505E+03 0.60780E-02 -0.85068E-03 5636 0.187E-01 0.231E-01 RMM: 4 -0.359856153818E+03 0.36969E-03 -0.83329E-04 4654 0.638E-02 0.118E-01 RMM: 5 -0.359856099168E+03 0.54650E-04 -0.14694E-04 3889 0.301E-02 0.105E-01 RMM: 6 -0.359856031637E+03 0.67532E-04 -0.48269E-05 3203 0.208E-02 0.432E-02 RMM: 7 -0.359856048493E+03 -0.16856E-04 -0.29025E-05 2633 0.152E-02 7293 T= 6102. E= 0.69161011E+03 F= 0.64112968E+03 E0= 0.67147635E+03 EK= 0.50480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360112180860E+03 -0.25615E+00 -0.19551E-01 9132 0.234E+01 0.241E-01 RMM: 2 -0.360130217643E+03 -0.18037E-01 -0.11651E-01 5463 0.719E-01 0.110E+00 RMM: 3 -0.360121356493E+03 0.88612E-02 -0.99100E-03 5535 0.210E-01 0.277E-01 RMM: 4 -0.360120851644E+03 0.50485E-03 -0.99625E-04 4692 0.656E-02 0.107E-01 RMM: 5 -0.360120789167E+03 0.62477E-04 -0.13672E-04 3944 0.289E-02 0.985E-02 RMM: 6 -0.360120751867E+03 0.37301E-04 -0.36493E-05 2871 0.181E-02 0.719E-02 RMM: 7 -0.360120792873E+03 -0.41006E-04 -0.93548E-05 3765 0.234E-02 0.121E-01 RMM: 8 -0.360120699413E+03 0.93460E-04 -0.83554E-05 3787 0.245E-02 0.366E-02 RMM: 9 -0.360120702618E+03 -0.32051E-05 -0.20389E-05 2553 0.129E-02 7294 T= 6566. E= 0.69514764E+03 F= 0.64082629E+03 E0= 0.67116236E+03 EK= 0.54321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360319103047E+03 -0.19840E+00 -0.22432E-01 9084 0.242E+01 0.252E-01 RMM: 2 -0.360339573968E+03 -0.20471E-01 -0.15241E-01 5361 0.816E-01 0.106E+00 RMM: 3 -0.360331330365E+03 0.82436E-02 -0.12737E-02 5739 0.219E-01 0.275E-01 RMM: 4 -0.360330761674E+03 0.56869E-03 -0.12383E-03 4681 0.788E-02 0.154E-01 RMM: 5 -0.360330638011E+03 0.12366E-03 -0.22037E-04 3890 0.380E-02 0.114E-01 RMM: 6 -0.360330562957E+03 0.75054E-04 -0.60118E-05 3373 0.226E-02 0.554E-02 RMM: 7 -0.360330575573E+03 -0.12616E-04 -0.36213E-05 2819 0.168E-02 7295 T= 6987. E= 0.69838008E+03 F= 0.64057622E+03 E0= 0.67090343E+03 EK= 0.57804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360370078641E+03 -0.39516E-01 -0.24699E-01 9012 0.247E+01 0.235E-01 RMM: 2 -0.360390996234E+03 -0.20918E-01 -0.16347E-01 5473 0.818E-01 0.988E-01 RMM: 3 -0.360382990792E+03 0.80054E-02 -0.11838E-02 5815 0.219E-01 0.243E-01 RMM: 4 -0.360382566276E+03 0.42452E-03 -0.96669E-04 4832 0.625E-02 0.118E-01 RMM: 5 -0.360382475210E+03 0.91066E-04 -0.12978E-04 3936 0.279E-02 0.972E-02 RMM: 6 -0.360382458802E+03 0.16408E-04 -0.48444E-05 3138 0.198E-02 7296 T= 7178. E= 0.69986313E+03 F= 0.64048247E+03 E0= 0.67080221E+03 EK= 0.59381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360222472159E+03 0.16000E+00 -0.25614E-01 9036 0.245E+01 0.391E-01 RMM: 2 -0.360269785056E+03 -0.47313E-01 -0.18105E-01 5431 0.842E-01 0.221E+00 RMM: 3 -0.360235632284E+03 0.34153E-01 -0.19349E-02 5353 0.325E-01 0.413E-01 RMM: 4 -0.360234489303E+03 0.11430E-02 -0.23369E-03 4848 0.949E-02 0.126E-01 RMM: 5 -0.360234460269E+03 0.29034E-04 -0.27084E-04 4006 0.369E-02 0.142E-01 RMM: 6 -0.360234349295E+03 0.11097E-03 -0.77583E-05 3593 0.244E-02 0.736E-02 RMM: 7 -0.360234383748E+03 -0.34452E-04 -0.83410E-05 3698 0.243E-02 0.108E-01 RMM: 8 -0.360234329612E+03 0.54136E-04 -0.10684E-04 3891 0.237E-02 0.715E-02 RMM: 9 -0.360234298271E+03 0.31341E-04 -0.28155E-05 2806 0.153E-02 0.216E-02 RMM: 10 -0.360234305999E+03 -0.77278E-05 -0.10913E-05 2470 0.996E-03 7297 T= 7043. E= 0.69885226E+03 F= 0.64058640E+03 E0= 0.67089946E+03 EK= 0.58266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359906038792E+03 0.32826E+00 -0.25704E-01 8880 0.239E+01 0.404E-01 RMM: 2 -0.359952435412E+03 -0.46397E-01 -0.18216E-01 5460 0.840E-01 0.217E+00 RMM: 3 -0.359919538369E+03 0.32897E-01 -0.18298E-02 5359 0.314E-01 0.472E-01 RMM: 4 -0.359918062883E+03 0.14755E-02 -0.27866E-03 4952 0.111E-01 0.162E-01 RMM: 5 -0.359918168974E+03 -0.10609E-03 -0.46031E-04 4265 0.514E-02 0.212E-01 RMM: 6 -0.359917887708E+03 0.28127E-03 -0.14686E-04 3878 0.318E-02 0.617E-02 RMM: 7 -0.359917888197E+03 -0.48882E-06 -0.43575E-05 3136 0.181E-02 7298 T= 6651. E= 0.69587670E+03 F= 0.64085534E+03 E0= 0.67115968E+03 EK= 0.55021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359500113317E+03 0.41777E+00 -0.24678E-01 8748 0.229E+01 0.321E-01 RMM: 2 -0.359531900313E+03 -0.31787E-01 -0.16668E-01 5519 0.819E-01 0.162E+00 RMM: 3 -0.359512672639E+03 0.19228E-01 -0.13630E-02 5411 0.258E-01 0.314E-01 RMM: 4 -0.359512072482E+03 0.60016E-03 -0.16857E-03 4732 0.867E-02 0.160E-01 RMM: 5 -0.359512035365E+03 0.37117E-04 -0.27893E-04 3898 0.398E-02 0.161E-01 RMM: 6 -0.359511879628E+03 0.15574E-03 -0.10940E-04 3826 0.297E-02 0.593E-02 RMM: 7 -0.359511901448E+03 -0.21820E-04 -0.46163E-05 3148 0.187E-02 0.888E-02 RMM: 8 -0.359511871242E+03 0.30206E-04 -0.87047E-05 3883 0.233E-02 0.568E-02 RMM: 9 -0.359511853181E+03 0.18061E-04 -0.20205E-05 2605 0.136E-02 7299 T= 6179. E= 0.69232351E+03 F= 0.64120984E+03 E0= 0.67150585E+03 EK= 0.51114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359094014679E+03 0.41786E+00 -0.22941E-01 8724 0.219E+01 0.237E-01 RMM: 2 -0.359115019745E+03 -0.21005E-01 -0.15728E-01 5562 0.777E-01 0.103E+00 RMM: 3 -0.359106096826E+03 0.89229E-02 -0.98777E-03 5417 0.213E-01 0.206E-01 RMM: 4 -0.359106091858E+03 0.49683E-05 -0.11665E-03 4725 0.719E-02 0.229E-01 RMM: 5 -0.359105777562E+03 0.31430E-03 -0.23275E-04 3932 0.389E-02 0.995E-02 RMM: 6 -0.359105717134E+03 0.60428E-04 -0.53621E-05 3244 0.213E-02 0.427E-02 RMM: 7 -0.359105725916E+03 -0.87811E-05 -0.34209E-05 2667 0.167E-02 7300 T= 5801. E= 0.68954579E+03 F= 0.64155999E+03 E0= 0.67184905E+03 EK= 0.47986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358761397866E+03 0.34432E+00 -0.20872E-01 8724 0.212E+01 0.247E-01 RMM: 2 -0.358782885491E+03 -0.21488E-01 -0.14311E-01 5368 0.785E-01 0.115E+00 RMM: 3 -0.358772790049E+03 0.10095E-01 -0.10967E-02 5520 0.219E-01 0.232E-01 RMM: 4 -0.358772478854E+03 0.31119E-03 -0.11143E-03 4719 0.725E-02 0.142E-01 RMM: 5 -0.358772390815E+03 0.88039E-04 -0.17555E-04 3930 0.309E-02 0.114E-01 RMM: 6 -0.358772325288E+03 0.65527E-04 -0.56353E-05 3294 0.217E-02 0.566E-02 RMM: 7 -0.358772368446E+03 -0.43158E-04 -0.71034E-05 3552 0.219E-02 0.103E-01 RMM: 8 -0.358772309632E+03 0.58814E-04 -0.60685E-05 3416 0.215E-02 0.401E-02 RMM: 9 -0.358772302232E+03 0.73992E-05 -0.13701E-05 2486 0.110E-02 7301 T= 5626. E= 0.68837446E+03 F= 0.64183334E+03 E0= 0.67211792E+03 EK= 0.46541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358544674370E+03 0.22764E+00 -0.18669E-01 8880 0.210E+01 0.237E-01 RMM: 2 -0.358562191235E+03 -0.17517E-01 -0.12873E-01 5246 0.748E-01 0.977E-01 RMM: 3 -0.358554768638E+03 0.74226E-02 -0.10297E-02 5618 0.210E-01 0.202E-01 RMM: 4 -0.358554616258E+03 0.15238E-03 -0.98773E-04 4686 0.684E-02 0.182E-01 RMM: 5 -0.358554464182E+03 0.15208E-03 -0.19157E-04 3894 0.340E-02 0.122E-01 RMM: 6 -0.358554370996E+03 0.93186E-04 -0.69149E-05 3452 0.243E-02 0.359E-02 RMM: 7 -0.358554384736E+03 -0.13740E-04 -0.27692E-05 2626 0.150E-02 7302 T= 5697. E= 0.68912110E+03 F= 0.64198808E+03 E0= 0.67227364E+03 EK= 0.47133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358448067091E+03 0.10630E+00 -0.17438E-01 8736 0.212E+01 0.213E-01 RMM: 2 -0.358465689999E+03 -0.17623E-01 -0.12230E-01 5302 0.730E-01 0.102E+00 RMM: 3 -0.358457797933E+03 0.78921E-02 -0.99481E-03 5533 0.203E-01 0.201E-01 RMM: 4 -0.358457522703E+03 0.27523E-03 -0.84768E-04 4736 0.610E-02 0.107E-01 RMM: 5 -0.358457471952E+03 0.50752E-04 -0.12984E-04 3929 0.274E-02 0.947E-02 RMM: 6 -0.358457432810E+03 0.39142E-04 -0.46882E-05 3167 0.196E-02 0.591E-02 RMM: 7 -0.358457475651E+03 -0.42841E-04 -0.62804E-05 3451 0.208E-02 0.105E-01 RMM: 8 -0.358457407223E+03 0.68428E-04 -0.43848E-05 3116 0.201E-02 0.307E-02 RMM: 9 -0.358457405468E+03 0.17545E-05 -0.12451E-05 2470 0.101E-02 7303 T= 6002. E= 0.69167513E+03 F= 0.64202010E+03 E0= 0.67231107E+03 EK= 0.49655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358438357343E+03 0.19050E-01 -0.18355E-01 8544 0.219E+01 0.215E-01 RMM: 2 -0.358456616472E+03 -0.18259E-01 -0.13888E-01 5124 0.800E-01 0.970E-01 RMM: 3 -0.358449708695E+03 0.69078E-02 -0.12248E-02 5797 0.215E-01 0.207E-01 RMM: 4 -0.358449377608E+03 0.33109E-03 -0.91227E-04 4695 0.661E-02 0.135E-01 RMM: 5 -0.358449292172E+03 0.85436E-04 -0.17751E-04 3884 0.338E-02 0.106E-01 RMM: 6 -0.358449225145E+03 0.67026E-04 -0.68191E-05 3429 0.236E-02 0.464E-02 RMM: 7 -0.358449243338E+03 -0.18192E-04 -0.43339E-05 3039 0.191E-02 7304 T= 6465. E= 0.69544523E+03 F= 0.64196270E+03 E0= 0.67226537E+03 EK= 0.53483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358455935973E+03 -0.67108E-02 -0.19718E-01 8616 0.227E+01 0.206E-01 RMM: 2 -0.358473502041E+03 -0.17566E-01 -0.14120E-01 5232 0.826E-01 0.886E-01 RMM: 3 -0.358467712723E+03 0.57893E-02 -0.12513E-02 5874 0.214E-01 0.194E-01 RMM: 4 -0.358467352696E+03 0.36003E-03 -0.75231E-04 4846 0.585E-02 0.111E-01 RMM: 5 -0.358467252826E+03 0.99870E-04 -0.14400E-04 3883 0.319E-02 0.781E-02 RMM: 6 -0.358467276312E+03 -0.23486E-04 -0.83608E-05 3618 0.245E-02 0.105E-01 RMM: 7 -0.358467249635E+03 0.26677E-04 -0.78556E-05 3784 0.230E-02 0.974E-02 RMM: 8 -0.358467191172E+03 0.58463E-04 -0.43479E-05 3143 0.190E-02 0.340E-02 RMM: 9 -0.358467199507E+03 -0.83348E-05 -0.20630E-05 2532 0.130E-02 7305 T= 6934. E= 0.69924596E+03 F= 0.64187912E+03 E0= 0.67219933E+03 EK= 0.57367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358431434094E+03 0.35757E-01 -0.20893E-01 8652 0.234E+01 0.215E-01 RMM: 2 -0.358450766498E+03 -0.19332E-01 -0.15251E-01 5220 0.853E-01 0.954E-01 RMM: 3 -0.358444025594E+03 0.67409E-02 -0.13048E-02 5918 0.215E-01 0.176E-01 RMM: 4 -0.358443776212E+03 0.24938E-03 -0.87404E-04 4694 0.680E-02 0.172E-01 RMM: 5 -0.358443590696E+03 0.18552E-03 -0.19804E-04 3882 0.375E-02 0.842E-02 RMM: 6 -0.358443564111E+03 0.26585E-04 -0.64310E-05 3386 0.226E-02 0.629E-02 RMM: 7 -0.358443571940E+03 -0.78291E-05 -0.40510E-05 2969 0.186E-02 7306 T= 7215. E= 0.70152617E+03 F= 0.64183675E+03 E0= 0.67217836E+03 EK= 0.59689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358334512346E+03 0.10905E+00 -0.20729E-01 8724 0.237E+01 0.191E-01 RMM: 2 -0.358351405381E+03 -0.16893E-01 -0.14789E-01 5261 0.828E-01 0.742E-01 RMM: 3 -0.358346726240E+03 0.46791E-02 -0.11508E-02 5839 0.211E-01 0.172E-01 RMM: 4 -0.358346479729E+03 0.24651E-03 -0.68414E-04 4757 0.562E-02 0.128E-01 RMM: 5 -0.358346368160E+03 0.11157E-03 -0.14842E-04 3889 0.332E-02 0.850E-02 RMM: 6 -0.358346392272E+03 -0.24112E-04 -0.96765E-05 3773 0.258E-02 0.113E-01 RMM: 7 -0.358346376415E+03 0.15857E-04 -0.93670E-05 3868 0.247E-02 7307 T= 7171. E= 0.70119147E+03 F= 0.64186647E+03 E0= 0.67223177E+03 EK= 0.59325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358196088561E+03 0.15030E+00 -0.20569E-01 8604 0.234E+01 0.207E-01 RMM: 2 -0.358214708786E+03 -0.18620E-01 -0.14679E-01 5074 0.832E-01 0.914E-01 RMM: 3 -0.358208004505E+03 0.67043E-02 -0.11972E-02 5708 0.230E-01 0.188E-01 RMM: 4 -0.358207808153E+03 0.19635E-03 -0.85187E-04 4726 0.653E-02 0.147E-01 RMM: 5 -0.358207696946E+03 0.11121E-03 -0.16030E-04 3883 0.339E-02 0.976E-02 RMM: 6 -0.358207654754E+03 0.42192E-04 -0.68022E-05 3414 0.231E-02 0.625E-02 RMM: 7 -0.358207691063E+03 -0.36309E-04 -0.59420E-05 3389 0.207E-02 0.105E-01 RMM: 8 -0.358207622753E+03 0.68310E-04 -0.37311E-05 2934 0.187E-02 0.298E-02 RMM: 9 -0.358207623159E+03 -0.40588E-06 -0.16650E-05 2477 0.115E-02 7308 T= 6828. E= 0.69842088E+03 F= 0.64193478E+03 E0= 0.67232203E+03 EK= 0.56486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358113417091E+03 0.94206E-01 -0.19410E-01 8640 0.229E+01 0.259E-01 RMM: 2 -0.358134891824E+03 -0.21475E-01 -0.14229E-01 5081 0.836E-01 0.118E+00 RMM: 3 -0.358124675717E+03 0.10216E-01 -0.12789E-02 5588 0.245E-01 0.237E-01 RMM: 4 -0.358124338472E+03 0.33725E-03 -0.10997E-03 4775 0.724E-02 0.147E-01 RMM: 5 -0.358124296411E+03 0.42062E-04 -0.21140E-04 3888 0.372E-02 0.135E-01 RMM: 6 -0.358124180950E+03 0.11546E-03 -0.87954E-05 3599 0.267E-02 0.423E-02 RMM: 7 -0.358124215215E+03 -0.34265E-04 -0.43850E-05 3060 0.186E-02 0.890E-02 RMM: 8 -0.358124173533E+03 0.41682E-04 -0.37395E-05 2709 0.182E-02 0.414E-02 RMM: 9 -0.358124164291E+03 0.92421E-05 -0.14053E-05 2469 0.110E-02 7309 T= 6354. E= 0.69450587E+03 F= 0.64194345E+03 E0= 0.67235026E+03 EK= 0.52562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358205722844E+03 -0.81549E-01 -0.17913E-01 8760 0.222E+01 0.242E-01 RMM: 2 -0.358223087237E+03 -0.17364E-01 -0.12825E-01 5173 0.790E-01 0.977E-01 RMM: 3 -0.358215731525E+03 0.73557E-02 -0.10517E-02 5669 0.218E-01 0.219E-01 RMM: 4 -0.358215536857E+03 0.19467E-03 -0.99075E-04 4714 0.712E-02 0.181E-01 RMM: 5 -0.358215373065E+03 0.16379E-03 -0.19518E-04 3885 0.350E-02 0.120E-01 RMM: 6 -0.358215290382E+03 0.82683E-04 -0.68962E-05 3429 0.238E-02 0.506E-02 RMM: 7 -0.358215335571E+03 -0.45189E-04 -0.62648E-05 3436 0.209E-02 0.105E-01 RMM: 8 -0.358215267352E+03 0.68219E-04 -0.52116E-05 3238 0.202E-02 0.350E-02 RMM: 9 -0.358215262122E+03 0.52305E-05 -0.15212E-05 2473 0.115E-02 7310 T= 5942. E= 0.69092592E+03 F= 0.64177241E+03 E0= 0.67219433E+03 EK= 0.49154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358575568713E+03 -0.36030E+00 -0.16384E-01 8724 0.218E+01 0.262E-01 RMM: 2 -0.358594611160E+03 -0.19042E-01 -0.11323E-01 5152 0.761E-01 0.121E+00 RMM: 3 -0.358584438995E+03 0.10172E-01 -0.10585E-02 5636 0.217E-01 0.254E-01 RMM: 4 -0.358584037437E+03 0.40156E-03 -0.11106E-03 4700 0.754E-02 0.151E-01 RMM: 5 -0.358583976190E+03 0.61247E-04 -0.20366E-04 3886 0.349E-02 0.136E-01 RMM: 6 -0.358583860682E+03 0.11551E-03 -0.74885E-05 3494 0.251E-02 0.438E-02 RMM: 7 -0.358583894226E+03 -0.33544E-04 -0.45139E-05 3097 0.186E-02 0.910E-02 RMM: 8 -0.358583843863E+03 0.50363E-04 -0.41801E-05 2826 0.188E-02 0.368E-02 RMM: 9 -0.358583837198E+03 0.66647E-05 -0.14446E-05 2468 0.113E-02 7311 T= 5723. E= 0.68866674E+03 F= 0.64131884E+03 E0= 0.67175079E+03 EK= 0.47348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359282635432E+03 -0.69879E+00 -0.15194E-01 8424 0.218E+01 0.211E-01 RMM: 2 -0.359297139096E+03 -0.14504E-01 -0.97013E-02 5243 0.685E-01 0.974E-01 RMM: 3 -0.359290208068E+03 0.69310E-02 -0.80000E-03 5539 0.187E-01 0.186E-01 RMM: 4 -0.359290075653E+03 0.13241E-03 -0.79719E-04 4658 0.636E-02 0.153E-01 RMM: 5 -0.359289965610E+03 0.11004E-03 -0.15525E-04 3884 0.304E-02 0.113E-01 RMM: 6 -0.359289892788E+03 0.72822E-04 -0.58877E-05 3344 0.222E-02 0.475E-02 RMM: 7 -0.359289931848E+03 -0.39060E-04 -0.50088E-05 3204 0.194E-02 0.957E-02 RMM: 8 -0.359289871552E+03 0.60295E-04 -0.36965E-05 2870 0.185E-02 0.266E-02 RMM: 9 -0.359289869281E+03 0.22711E-05 -0.11266E-05 2459 0.960E-03 7312 T= 5754. E= 0.68812448E+03 F= 0.64052372E+03 E0= 0.67096039E+03 EK= 0.47601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360333487091E+03 -0.10436E+01 -0.14947E-01 8340 0.223E+01 0.206E-01 RMM: 2 -0.360347906274E+03 -0.14419E-01 -0.86108E-02 5237 0.658E-01 0.105E+00 RMM: 3 -0.360340249639E+03 0.76566E-02 -0.75156E-03 5577 0.179E-01 0.175E-01 RMM: 4 -0.360340073955E+03 0.17568E-03 -0.68721E-04 4649 0.597E-02 0.129E-01 RMM: 5 -0.360339996883E+03 0.77072E-04 -0.14973E-04 3885 0.319E-02 0.101E-01 RMM: 6 -0.360339942214E+03 0.54669E-04 -0.59347E-05 3357 0.223E-02 0.553E-02 RMM: 7 -0.360339979192E+03 -0.36979E-04 -0.56852E-05 3357 0.208E-02 0.993E-02 RMM: 8 -0.360339913608E+03 0.65584E-04 -0.33587E-05 2922 0.181E-02 0.231E-02 RMM: 9 -0.360339914360E+03 -0.75199E-06 -0.11428E-05 2460 0.927E-03 7313 T= 6024. E= 0.68921487E+03 F= 0.63938192E+03 E0= 0.66981828E+03 EK= 0.49833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361673639582E+03 -0.13337E+01 -0.15380E-01 8364 0.230E+01 0.172E-01 RMM: 2 -0.361684480367E+03 -0.10841E-01 -0.85128E-02 5265 0.659E-01 0.741E-01 RMM: 3 -0.361680602911E+03 0.38775E-02 -0.70943E-03 5721 0.165E-01 0.146E-01 RMM: 4 -0.361680462263E+03 0.14065E-03 -0.51032E-04 4537 0.524E-02 0.127E-01 RMM: 5 -0.361680351651E+03 0.11061E-03 -0.12744E-04 3872 0.306E-02 0.768E-02 RMM: 6 -0.361680347426E+03 0.42251E-05 -0.63998E-05 3419 0.222E-02 7314 T= 6457. E= 0.69136789E+03 F= 0.63794836E+03 E0= 0.66837879E+03 EK= 0.53420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363190291706E+03 -0.15099E+01 -0.16422E-01 8448 0.239E+01 0.320E-01 RMM: 2 -0.363221012955E+03 -0.30721E-01 -0.98902E-02 5284 0.734E-01 0.187E+00 RMM: 3 -0.363197645618E+03 0.23367E-01 -0.13174E-02 5346 0.274E-01 0.279E-01 RMM: 4 -0.363197158780E+03 0.48684E-03 -0.13881E-03 4748 0.725E-02 0.120E-01 RMM: 5 -0.363197061805E+03 0.96975E-04 -0.20356E-04 3903 0.401E-02 0.107E-01 RMM: 6 -0.363197020900E+03 0.40906E-04 -0.11056E-04 3878 0.289E-02 0.919E-02 RMM: 7 -0.363197087811E+03 -0.66911E-04 -0.12655E-04 3880 0.304E-02 0.144E-01 RMM: 8 -0.363196948745E+03 0.13907E-03 -0.76340E-05 3571 0.244E-02 0.401E-02 RMM: 9 -0.363196949815E+03 -0.10694E-05 -0.24292E-05 2646 0.141E-02 7315 T= 6905. E= 0.69345868E+03 F= 0.63633770E+03 E0= 0.66675852E+03 EK= 0.57121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364727495746E+03 -0.15305E+01 -0.17503E-01 8520 0.245E+01 0.321E-01 RMM: 2 -0.364760925553E+03 -0.33430E-01 -0.10644E-01 5297 0.777E-01 0.195E+00 RMM: 3 -0.364735715864E+03 0.25210E-01 -0.13569E-02 5369 0.275E-01 0.320E-01 RMM: 4 -0.364735066826E+03 0.64904E-03 -0.18106E-03 4723 0.927E-02 0.162E-01 RMM: 5 -0.364734954760E+03 0.11207E-03 -0.30912E-04 4111 0.475E-02 0.129E-01 RMM: 6 -0.364734842711E+03 0.11205E-03 -0.92056E-05 3793 0.264E-02 0.542E-02 RMM: 7 -0.364734857663E+03 -0.14952E-04 -0.60147E-05 3359 0.207E-02 7316 T= 7173. E= 0.69404813E+03 F= 0.63470421E+03 E0= 0.66510959E+03 EK= 0.59344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366132842659E+03 -0.13980E+01 -0.18408E-01 8520 0.247E+01 0.213E-01 RMM: 2 -0.366148974211E+03 -0.16132E-01 -0.10891E-01 5150 0.744E-01 0.101E+00 RMM: 3 -0.366141779373E+03 0.71948E-02 -0.10300E-02 5498 0.214E-01 0.196E-01 RMM: 4 -0.366141533858E+03 0.24552E-03 -0.79016E-04 4820 0.578E-02 0.113E-01 RMM: 5 -0.366141423664E+03 0.11019E-03 -0.15958E-04 3897 0.361E-02 0.914E-02 RMM: 6 -0.366141451080E+03 -0.27415E-04 -0.13042E-04 3882 0.304E-02 0.123E-01 RMM: 7 -0.366141425994E+03 0.25085E-04 -0.95592E-05 3840 0.259E-02 0.121E-01 RMM: 8 -0.366141330678E+03 0.95316E-04 -0.49865E-05 3282 0.198E-02 0.326E-02 RMM: 9 -0.366141337776E+03 -0.70977E-05 -0.27160E-05 2562 0.148E-02 7317 T= 7128. E= 0.69216586E+03 F= 0.63319890E+03 E0= 0.66358594E+03 EK= 0.58967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367308310761E+03 -0.11670E+01 -0.18154E-01 8268 0.243E+01 0.193E-01 RMM: 2 -0.367322542758E+03 -0.14232E-01 -0.10538E-01 4930 0.739E-01 0.878E-01 RMM: 3 -0.367317030267E+03 0.55125E-02 -0.10355E-02 5692 0.207E-01 0.179E-01 RMM: 4 -0.367316835023E+03 0.19524E-03 -0.73961E-04 4668 0.627E-02 0.152E-01 RMM: 5 -0.367316679894E+03 0.15513E-03 -0.17032E-04 3876 0.368E-02 0.791E-02 RMM: 6 -0.367316662107E+03 0.17787E-04 -0.66575E-05 3414 0.230E-02 7318 T= 6787. E= 0.68806358E+03 F= 0.63191925E+03 E0= 0.66228364E+03 EK= 0.56144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368227366314E+03 -0.91069E+00 -0.17290E-01 8592 0.236E+01 0.331E-01 RMM: 2 -0.368256720322E+03 -0.29354E-01 -0.96783E-02 5098 0.698E-01 0.182E+00 RMM: 3 -0.368234031526E+03 0.22689E-01 -0.12804E-02 5370 0.267E-01 0.276E-01 RMM: 4 -0.368233619266E+03 0.41226E-03 -0.14944E-03 4715 0.806E-02 0.163E-01 RMM: 5 -0.368233638722E+03 -0.19456E-04 -0.33998E-04 4265 0.473E-02 0.196E-01 RMM: 6 -0.368233403503E+03 0.23522E-03 -0.16566E-04 3885 0.344E-02 0.717E-02 RMM: 7 -0.368233461807E+03 -0.58304E-04 -0.10408E-04 3811 0.270E-02 0.119E-01 RMM: 8 -0.368233372040E+03 0.89767E-04 -0.50471E-05 3261 0.215E-02 0.475E-02 RMM: 9 -0.368233359640E+03 0.12400E-04 -0.13187E-05 2500 0.108E-02 7319 T= 6306. E= 0.68305503E+03 F= 0.63089057E+03 E0= 0.66123163E+03 EK= 0.52164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368916229766E+03 -0.68286E+00 -0.16151E-01 8640 0.227E+01 0.262E-01 RMM: 2 -0.368937158963E+03 -0.20929E-01 -0.86719E-02 4929 0.644E-01 0.145E+00 RMM: 3 -0.368922546348E+03 0.14613E-01 -0.10254E-02 5366 0.237E-01 0.239E-01 RMM: 4 -0.368922252212E+03 0.29414E-03 -0.12097E-03 4671 0.744E-02 0.143E-01 RMM: 5 -0.368922219681E+03 0.32532E-04 -0.20540E-04 3877 0.381E-02 0.140E-01 RMM: 6 -0.368922092829E+03 0.12685E-03 -0.70083E-05 3463 0.245E-02 0.383E-02 RMM: 7 -0.368922122662E+03 -0.29833E-04 -0.44535E-05 3103 0.191E-02 0.826E-02 RMM: 8 -0.368922079317E+03 0.43345E-04 -0.29055E-05 2675 0.176E-02 0.235E-02 RMM: 9 -0.368922077447E+03 0.18703E-05 -0.78030E-06 2444 0.791E-03 7320 T= 5868. E= 0.67862816E+03 F= 0.63008096E+03 E0= 0.66039789E+03 EK= 0.48547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369430748849E+03 -0.50867E+00 -0.15898E-01 8208 0.221E+01 0.240E-01 RMM: 2 -0.369445692326E+03 -0.14943E-01 -0.93241E-02 5003 0.668E-01 0.105E+00 RMM: 3 -0.369437778699E+03 0.79136E-02 -0.91139E-03 5541 0.201E-01 0.187E-01 RMM: 4 -0.369437772001E+03 0.66979E-05 -0.10007E-03 4660 0.711E-02 0.213E-01 RMM: 5 -0.369437544606E+03 0.22739E-03 -0.21433E-04 3886 0.368E-02 0.128E-01 RMM: 6 -0.369437445320E+03 0.99286E-04 -0.76546E-05 3521 0.249E-02 0.471E-02 RMM: 7 -0.369437486150E+03 -0.40830E-04 -0.63045E-05 3418 0.212E-02 0.974E-02 RMM: 8 -0.369437424091E+03 0.62059E-04 -0.37149E-05 3019 0.191E-02 0.226E-02 RMM: 9 -0.369437422755E+03 0.13359E-05 -0.88538E-06 2449 0.847E-03 7321 T= 5604. E= 0.67579347E+03 F= 0.62943602E+03 E0= 0.65972992E+03 EK= 0.46357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369822349047E+03 -0.38492E+00 -0.14928E-01 8652 0.218E+01 0.208E-01 RMM: 2 -0.369831534915E+03 -0.91859E-02 -0.73082E-02 5132 0.579E-01 0.710E-01 RMM: 3 -0.369827718044E+03 0.38169E-02 -0.63545E-03 5734 0.161E-01 0.188E-01 RMM: 4 -0.369827620219E+03 0.97825E-04 -0.69872E-04 4620 0.616E-02 0.181E-01 RMM: 5 -0.369827430156E+03 0.19006E-03 -0.18181E-04 3880 0.342E-02 0.994E-02 RMM: 6 -0.369827376089E+03 0.54068E-04 -0.58256E-05 3354 0.224E-02 0.497E-02 RMM: 7 -0.369827410282E+03 -0.34193E-04 -0.46680E-05 3146 0.187E-02 0.946E-02 RMM: 8 -0.369827352271E+03 0.58011E-04 -0.30806E-05 2783 0.178E-02 0.241E-02 RMM: 9 -0.369827350184E+03 0.20876E-05 -0.84188E-06 2445 0.801E-03 7322 T= 5571. E= 0.67499955E+03 F= 0.62890952E+03 E0= 0.65918225E+03 EK= 0.46090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370113320418E+03 -0.28597E+00 -0.15141E-01 8544 0.221E+01 0.187E-01 RMM: 2 -0.370122231186E+03 -0.89108E-02 -0.73335E-02 5103 0.578E-01 0.657E-01 RMM: 3 -0.370118851066E+03 0.33801E-02 -0.63653E-03 5797 0.156E-01 0.140E-01 RMM: 4 -0.370118881120E+03 -0.30054E-04 -0.61337E-04 4608 0.587E-02 0.193E-01 RMM: 5 -0.370118653169E+03 0.22795E-03 -0.17305E-04 3880 0.336E-02 0.894E-02 RMM: 6 -0.370118621114E+03 0.32054E-04 -0.57583E-05 3339 0.215E-02 0.616E-02 RMM: 7 -0.370118638125E+03 -0.17011E-04 -0.46588E-05 3151 0.194E-02 7323 T= 5778. E= 0.67627580E+03 F= 0.62847748E+03 E0= 0.65873219E+03 EK= 0.47798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370307711292E+03 -0.18909E+00 -0.15516E-01 8532 0.227E+01 0.191E-01 RMM: 2 -0.370315907843E+03 -0.81966E-02 -0.64286E-02 5305 0.548E-01 0.696E-01 RMM: 3 -0.370312363149E+03 0.35447E-02 -0.52950E-03 5741 0.147E-01 0.170E-01 RMM: 4 -0.370312253378E+03 0.10977E-03 -0.52689E-04 4534 0.524E-02 0.151E-01 RMM: 5 -0.370312108113E+03 0.14526E-03 -0.18435E-04 3880 0.363E-02 0.901E-02 RMM: 6 -0.370312096816E+03 0.11297E-04 -0.85055E-05 3618 0.252E-02 7324 T= 6179. E= 0.67926242E+03 F= 0.62814198E+03 E0= 0.65838326E+03 EK= 0.51120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370383661926E+03 -0.71554E-01 -0.16938E-01 8280 0.235E+01 0.323E-01 RMM: 2 -0.370410808063E+03 -0.27146E-01 -0.73167E-02 5265 0.618E-01 0.183E+00 RMM: 3 -0.370388522481E+03 0.22286E-01 -0.11663E-02 5345 0.259E-01 0.273E-01 RMM: 4 -0.370388042148E+03 0.48033E-03 -0.13139E-03 4696 0.715E-02 0.119E-01 RMM: 5 -0.370388004232E+03 0.37915E-04 -0.24341E-04 3899 0.417E-02 0.133E-01 RMM: 6 -0.370387913862E+03 0.90371E-04 -0.12862E-04 3865 0.315E-02 0.766E-02 RMM: 7 -0.370387974352E+03 -0.60491E-04 -0.90884E-05 3691 0.259E-02 0.127E-01 RMM: 8 -0.370387871777E+03 0.10258E-03 -0.50228E-05 3266 0.217E-02 0.388E-02 RMM: 9 -0.370387866195E+03 0.55821E-05 -0.14525E-05 2499 0.110E-02 7325 T= 6668. E= 0.68308386E+03 F= 0.62792482E+03 E0= 0.65815604E+03 EK= 0.55159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370316158165E+03 0.71714E-01 -0.17864E-01 8124 0.243E+01 0.299E-01 RMM: 2 -0.370339141575E+03 -0.22983E-01 -0.72562E-02 5327 0.616E-01 0.165E+00 RMM: 3 -0.370321151953E+03 0.17990E-01 -0.10448E-02 5338 0.246E-01 0.307E-01 RMM: 4 -0.370320536542E+03 0.61541E-03 -0.12912E-03 4640 0.747E-02 0.109E-01 RMM: 5 -0.370320546060E+03 -0.95174E-05 -0.23475E-04 3882 0.415E-02 0.142E-01 RMM: 6 -0.370320422979E+03 0.12308E-03 -0.88570E-05 3678 0.268E-02 0.500E-02 RMM: 7 -0.370320461724E+03 -0.38745E-04 -0.57271E-05 3312 0.205E-02 0.967E-02 RMM: 8 -0.370320401411E+03 0.60313E-04 -0.34776E-05 2982 0.192E-02 0.275E-02 RMM: 9 -0.370320397986E+03 0.34246E-05 -0.86321E-06 2449 0.849E-03 7326 T= 7070. E= 0.68633850E+03 F= 0.62785178E+03 E0= 0.65808010E+03 EK= 0.58487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370096660983E+03 0.22374E+00 -0.18769E-01 7992 0.248E+01 0.263E-01 RMM: 2 -0.370117173491E+03 -0.20513E-01 -0.88817E-02 5148 0.683E-01 0.144E+00 RMM: 3 -0.370103306060E+03 0.13867E-01 -0.99718E-03 5415 0.219E-01 0.222E-01 RMM: 4 -0.370103014695E+03 0.29137E-03 -0.10298E-03 4651 0.667E-02 0.126E-01 RMM: 5 -0.370102941535E+03 0.73160E-04 -0.23219E-04 3896 0.417E-02 0.117E-01 RMM: 6 -0.370102887753E+03 0.53781E-04 -0.10196E-04 3783 0.274E-02 0.815E-02 RMM: 7 -0.370102897596E+03 -0.98424E-05 -0.69142E-05 3528 0.235E-02 7327 T= 7212. E= 0.68758874E+03 F= 0.62792814E+03 E0= 0.65816047E+03 EK= 0.59661E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369756704022E+03 0.34618E+00 -0.18182E-01 7776 0.247E+01 0.208E-01 RMM: 2 -0.369764698866E+03 -0.79948E-02 -0.68253E-02 5170 0.605E-01 0.648E-01 RMM: 3 -0.369761806338E+03 0.28925E-02 -0.61359E-03 5550 0.158E-01 0.161E-01 RMM: 4 -0.369761887482E+03 -0.81144E-04 -0.65454E-04 4617 0.611E-02 0.222E-01 RMM: 5 -0.369761576965E+03 0.31052E-03 -0.22143E-04 3877 0.380E-02 0.978E-02 RMM: 6 -0.369761570379E+03 0.65857E-05 -0.11625E-04 3849 0.291E-02 7328 T= 7028. E= 0.68626263E+03 F= 0.62812499E+03 E0= 0.65836905E+03 EK= 0.58138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369347389331E+03 0.41419E+00 -0.17795E-01 7740 0.241E+01 0.378E-01 RMM: 2 -0.369380745041E+03 -0.33356E-01 -0.86051E-02 5027 0.725E-01 0.207E+00 RMM: 3 -0.369352783429E+03 0.27962E-01 -0.15354E-02 5337 0.306E-01 0.316E-01 RMM: 4 -0.369352165307E+03 0.61812E-03 -0.17167E-03 4827 0.861E-02 0.136E-01 RMM: 5 -0.369352246495E+03 -0.81188E-04 -0.31731E-04 3980 0.433E-02 0.193E-01 RMM: 6 -0.369352014271E+03 0.23222E-03 -0.15405E-04 3877 0.349E-02 0.587E-02 RMM: 7 -0.369352040054E+03 -0.25783E-04 -0.52551E-05 3262 0.199E-02 0.894E-02 RMM: 8 -0.369351990935E+03 0.49119E-04 -0.28043E-05 2672 0.175E-02 0.396E-02 RMM: 9 -0.369351982222E+03 0.87125E-05 -0.11729E-05 2467 0.104E-02 7329 T= 6612. E= 0.68307941E+03 F= 0.62838381E+03 E0= 0.65864412E+03 EK= 0.54696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368936024755E+03 0.41597E+00 -0.16452E-01 7644 0.233E+01 0.336E-01 RMM: 2 -0.368962399203E+03 -0.26374E-01 -0.64651E-02 5070 0.614E-01 0.185E+00 RMM: 3 -0.368940188643E+03 0.22211E-01 -0.11505E-02 5326 0.261E-01 0.284E-01 RMM: 4 -0.368939885495E+03 0.30315E-03 -0.16230E-03 4799 0.879E-02 0.218E-01 RMM: 5 -0.368939811641E+03 0.73854E-04 -0.32050E-04 4066 0.465E-02 0.197E-01 RMM: 6 -0.368939555339E+03 0.25630E-03 -0.12272E-04 3818 0.313E-02 0.406E-02 RMM: 7 -0.368939574467E+03 -0.19128E-04 -0.42000E-05 3087 0.181E-02 7330 T= 6146. E= 0.67948186E+03 F= 0.62863699E+03 E0= 0.65891840E+03 EK= 0.50845E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368571762917E+03 0.36779E+00 -0.15512E-01 7740 0.226E+01 0.267E-01 RMM: 2 -0.368582726240E+03 -0.10963E-01 -0.55242E-02 5224 0.550E-01 0.106E+00 RMM: 3 -0.368575329896E+03 0.73963E-02 -0.59997E-03 5353 0.176E-01 0.205E-01 RMM: 4 -0.368575465760E+03 -0.13586E-03 -0.10342E-03 4623 0.745E-02 0.261E-01 RMM: 5 -0.368575107544E+03 0.35822E-03 -0.27347E-04 3898 0.414E-02 0.147E-01 RMM: 6 -0.368574981064E+03 0.12648E-03 -0.11643E-04 3777 0.305E-02 0.585E-02 RMM: 7 -0.368575035456E+03 -0.54391E-04 -0.59841E-05 3387 0.210E-02 0.112E-01 RMM: 8 -0.368574952324E+03 0.83132E-04 -0.34863E-05 2976 0.190E-02 0.270E-02 RMM: 9 -0.368574951667E+03 0.65660E-06 -0.11256E-05 2467 0.962E-03 7331 T= 5794. E= 0.67676693E+03 F= 0.62883342E+03 E0= 0.65913884E+03 EK= 0.47934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368276927213E+03 0.29803E+00 -0.15386E-01 8028 0.222E+01 0.226E-01 RMM: 2 -0.368285687651E+03 -0.87604E-02 -0.63792E-02 5059 0.573E-01 0.778E-01 RMM: 3 -0.368281537635E+03 0.41500E-02 -0.61527E-03 5479 0.163E-01 0.156E-01 RMM: 4 -0.368281781784E+03 -0.24415E-03 -0.81456E-04 4631 0.677E-02 0.270E-01 RMM: 5 -0.368281337979E+03 0.44381E-03 -0.26465E-04 3910 0.416E-02 0.105E-01 RMM: 6 -0.368281286032E+03 0.51947E-04 -0.90972E-05 3679 0.267E-02 0.619E-02 RMM: 7 -0.368281314758E+03 -0.28727E-04 -0.47434E-05 3185 0.193E-02 0.973E-02 RMM: 8 -0.368281252793E+03 0.61965E-04 -0.30750E-05 2894 0.179E-02 0.179E-02 RMM: 9 -0.368281255504E+03 -0.27108E-05 -0.90336E-06 2450 0.836E-03 7332 T= 5650. E= 0.67568849E+03 F= 0.62895137E+03 E0= 0.65928150E+03 EK= 0.46737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368046752587E+03 0.23450E+00 -0.15814E-01 8340 0.221E+01 0.221E-01 RMM: 2 -0.368056768498E+03 -0.10016E-01 -0.70999E-02 5191 0.585E-01 0.818E-01 RMM: 3 -0.368051979628E+03 0.47889E-02 -0.62879E-03 5458 0.166E-01 0.182E-01 RMM: 4 -0.368051983992E+03 -0.43645E-05 -0.80324E-04 4644 0.653E-02 0.211E-01 RMM: 5 -0.368051719902E+03 0.26409E-03 -0.23453E-04 3887 0.399E-02 0.109E-01 RMM: 6 -0.368051677710E+03 0.42192E-04 -0.99645E-05 3717 0.277E-02 0.791E-02 RMM: 7 -0.368051702422E+03 -0.24712E-04 -0.59436E-05 3369 0.217E-02 0.104E-01 RMM: 8 -0.368051631103E+03 0.71319E-04 -0.31603E-05 2961 0.179E-02 0.228E-02 RMM: 9 -0.368051632364E+03 -0.12612E-05 -0.10283E-05 2458 0.896E-03 7333 T= 5742. E= 0.67650272E+03 F= 0.62900065E+03 E0= 0.65935486E+03 EK= 0.47502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367848786903E+03 0.20284E+00 -0.16913E-01 8808 0.225E+01 0.221E-01 RMM: 2 -0.367861190433E+03 -0.12404E-01 -0.80943E-02 5279 0.607E-01 0.941E-01 RMM: 3 -0.367854828403E+03 0.63620E-02 -0.67484E-03 5462 0.173E-01 0.184E-01 RMM: 4 -0.367854734165E+03 0.94238E-04 -0.76436E-04 4645 0.613E-02 0.176E-01 RMM: 5 -0.367854558253E+03 0.17591E-03 -0.22611E-04 3885 0.400E-02 0.113E-01 RMM: 6 -0.367854516091E+03 0.42162E-04 -0.11204E-04 3860 0.291E-02 0.860E-02 RMM: 7 -0.367854551812E+03 -0.35720E-04 -0.77253E-05 3589 0.236E-02 0.120E-01 RMM: 8 -0.367854458399E+03 0.93413E-04 -0.45196E-05 3176 0.206E-02 0.269E-02 RMM: 9 -0.367854458290E+03 0.10902E-06 -0.11817E-05 2472 0.959E-03 7334 T= 6049. E= 0.67905647E+03 F= 0.62901634E+03 E0= 0.65939249E+03 EK= 0.50040E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367632330378E+03 0.22213E+00 -0.18728E-01 9012 0.232E+01 0.196E-01 RMM: 2 -0.367645187445E+03 -0.12857E-01 -0.10066E-01 5350 0.665E-01 0.803E-01 RMM: 3 -0.367640129879E+03 0.50576E-02 -0.71017E-03 5596 0.170E-01 0.173E-01 RMM: 4 -0.367639981365E+03 0.14851E-03 -0.66791E-04 4647 0.576E-02 0.153E-01 RMM: 5 -0.367639814230E+03 0.16714E-03 -0.19835E-04 3889 0.385E-02 0.908E-02 RMM: 6 -0.367639854561E+03 -0.40331E-04 -0.13166E-04 3881 0.303E-02 0.127E-01 RMM: 7 -0.367639803749E+03 0.50811E-04 -0.78063E-05 3647 0.249E-02 0.998E-02 RMM: 8 -0.367639738189E+03 0.65561E-04 -0.30835E-05 2926 0.165E-02 0.274E-02 RMM: 9 -0.367639740184E+03 -0.19958E-05 -0.15558E-05 2474 0.110E-02 7335 T= 6489. E= 0.68273233E+03 F= 0.62905111E+03 E0= 0.65944523E+03 EK= 0.53681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367341177475E+03 0.29856E+00 -0.21334E-01 9024 0.240E+01 0.204E-01 RMM: 2 -0.367357193426E+03 -0.16016E-01 -0.12469E-01 5334 0.742E-01 0.885E-01 RMM: 3 -0.367351134685E+03 0.60587E-02 -0.91539E-03 5642 0.190E-01 0.190E-01 RMM: 4 -0.367350886140E+03 0.24855E-03 -0.73557E-04 4725 0.589E-02 0.140E-01 RMM: 5 -0.367350745895E+03 0.14024E-03 -0.19130E-04 3883 0.380E-02 0.985E-02 RMM: 6 -0.367350771446E+03 -0.25551E-04 -0.11953E-04 3875 0.292E-02 0.124E-01 RMM: 7 -0.367350725979E+03 0.45466E-04 -0.91483E-05 3747 0.256E-02 0.109E-01 RMM: 8 -0.367350650892E+03 0.75088E-04 -0.41198E-05 3121 0.187E-02 0.307E-02 RMM: 9 -0.367350650886E+03 0.57407E-08 -0.22046E-05 2502 0.132E-02 7336 T= 6916. E= 0.68637866E+03 F= 0.62916266E+03 E0= 0.65956888E+03 EK= 0.57216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366932974518E+03 0.41768E+00 -0.24034E-01 9060 0.245E+01 0.180E-01 RMM: 2 -0.366948555046E+03 -0.15581E-01 -0.14400E-01 5362 0.773E-01 0.627E-01 RMM: 3 -0.366944447152E+03 0.41079E-02 -0.93418E-03 5913 0.184E-01 0.163E-01 RMM: 4 -0.366944246197E+03 0.20095E-03 -0.67336E-04 4651 0.580E-02 0.153E-01 RMM: 5 -0.366944073711E+03 0.17249E-03 -0.19587E-04 3891 0.386E-02 0.855E-02 RMM: 6 -0.366944186298E+03 -0.11259E-03 -0.15635E-04 3880 0.323E-02 0.164E-01 RMM: 7 -0.366944037392E+03 0.14891E-03 -0.96391E-05 3831 0.277E-02 0.798E-02 RMM: 8 -0.366943997401E+03 0.39991E-04 -0.25052E-05 2660 0.143E-02 0.309E-02 RMM: 9 -0.366943996713E+03 0.68801E-06 -0.21129E-05 2492 0.131E-02 7337 T= 7154. E= 0.68857757E+03 F= 0.62939297E+03 E0= 0.65980332E+03 EK= 0.59185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366396871324E+03 0.54713E+00 -0.26221E-01 9000 0.246E+01 0.192E-01 RMM: 2 -0.366413784029E+03 -0.16913E-01 -0.15651E-01 5378 0.794E-01 0.644E-01 RMM: 3 -0.366409251937E+03 0.45321E-02 -0.10211E-02 5850 0.194E-01 0.156E-01 RMM: 4 -0.366409141052E+03 0.11088E-03 -0.79151E-04 4702 0.636E-02 0.179E-01 RMM: 5 -0.366408930105E+03 0.21095E-03 -0.24598E-04 3930 0.415E-02 0.916E-02 RMM: 6 -0.366408998514E+03 -0.68409E-04 -0.14494E-04 3883 0.318E-02 0.139E-01 RMM: 7 -0.366408906890E+03 0.91624E-04 -0.73659E-05 3580 0.244E-02 0.882E-02 RMM: 8 -0.366408858023E+03 0.48868E-04 -0.27025E-05 2775 0.154E-02 0.279E-02 RMM: 9 -0.366408859937E+03 -0.19149E-05 -0.17520E-05 2485 0.116E-02 7338 T= 7090. E= 0.68840743E+03 F= 0.62975008E+03 E0= 0.66015552E+03 EK= 0.58657E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365765783115E+03 0.64307E+00 -0.26363E-01 8808 0.242E+01 0.211E-01 RMM: 2 -0.365782137742E+03 -0.16355E-01 -0.15224E-01 5696 0.761E-01 0.627E-01 RMM: 3 -0.365777474724E+03 0.46630E-02 -0.81664E-03 5690 0.186E-01 0.151E-01 RMM: 4 -0.365777626416E+03 -0.15169E-03 -0.90379E-04 4679 0.685E-02 0.246E-01 RMM: 5 -0.365777243307E+03 0.38311E-03 -0.29869E-04 4005 0.446E-02 0.884E-02 RMM: 6 -0.365777265338E+03 -0.22031E-04 -0.13461E-04 3874 0.310E-02 0.109E-01 RMM: 7 -0.365777234135E+03 0.31203E-04 -0.60014E-05 3411 0.225E-02 0.910E-02 RMM: 8 -0.365777180839E+03 0.53296E-04 -0.23699E-05 2662 0.151E-02 0.236E-02 RMM: 9 -0.365777182457E+03 -0.16178E-05 -0.10911E-05 2463 0.911E-03 7339 T= 6758. E= 0.68610454E+03 F= 0.63019856E+03 E0= 0.66058987E+03 EK= 0.55906E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365098302391E+03 0.67888E+00 -0.25860E-01 8820 0.235E+01 0.244E-01 RMM: 2 -0.365115763727E+03 -0.17461E-01 -0.15326E-01 5628 0.771E-01 0.777E-01 RMM: 3 -0.365109907221E+03 0.58565E-02 -0.85686E-03 5597 0.194E-01 0.163E-01 RMM: 4 -0.365110280796E+03 -0.37358E-03 -0.10478E-03 4708 0.763E-02 0.312E-01 RMM: 5 -0.365109661820E+03 0.61898E-03 -0.33029E-04 4078 0.461E-02 0.964E-02 RMM: 6 -0.365109640410E+03 0.21411E-04 -0.10314E-04 3770 0.271E-02 0.823E-02 RMM: 7 -0.365109658447E+03 -0.18037E-04 -0.63284E-05 3443 0.218E-02 7340 T= 6309. E= 0.68287074E+03 F= 0.63067483E+03 E0= 0.66104391E+03 EK= 0.52196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364461734131E+03 0.64791E+00 -0.24451E-01 8928 0.227E+01 0.276E-01 RMM: 2 -0.364477277660E+03 -0.15544E-01 -0.13999E-01 5565 0.760E-01 0.747E-01 RMM: 3 -0.364472218862E+03 0.50588E-02 -0.80633E-03 5641 0.188E-01 0.212E-01 RMM: 4 -0.364472626594E+03 -0.40773E-03 -0.12040E-03 4703 0.826E-02 0.349E-01 RMM: 5 -0.364471843885E+03 0.78271E-03 -0.42745E-04 4234 0.525E-02 0.996E-02 RMM: 6 -0.364471829067E+03 0.14818E-04 -0.11575E-04 3835 0.286E-02 7341 T= 5917. E= 0.68006540E+03 F= 0.63111220E+03 E0= 0.66145250E+03 EK= 0.48953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363907504777E+03 0.56434E+00 -0.21909E-01 8880 0.222E+01 0.440E-01 RMM: 2 -0.363951338026E+03 -0.43833E-01 -0.13765E-01 5254 0.806E-01 0.226E+00 RMM: 3 -0.363916905295E+03 0.34433E-01 -0.18626E-02 5353 0.325E-01 0.411E-01 RMM: 4 -0.363915983308E+03 0.92199E-03 -0.25980E-03 5060 0.108E-01 0.220E-01 RMM: 5 -0.363916081941E+03 -0.98633E-04 -0.57138E-04 4529 0.561E-02 0.267E-01 RMM: 6 -0.363915650289E+03 0.43165E-03 -0.25908E-04 3890 0.423E-02 0.847E-02 RMM: 7 -0.363915643457E+03 0.68328E-05 -0.76663E-05 3575 0.236E-02 7342 T= 5701. E= 0.67862263E+03 F= 0.63145982E+03 E0= 0.66176611E+03 EK= 0.47163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363463737345E+03 0.45191E+00 -0.20125E-01 8976 0.221E+01 0.385E-01 RMM: 2 -0.363499681647E+03 -0.35944E-01 -0.11661E-01 5304 0.727E-01 0.202E+00 RMM: 3 -0.363472077014E+03 0.27605E-01 -0.15330E-02 5363 0.292E-01 0.401E-01 RMM: 4 -0.363471219781E+03 0.85723E-03 -0.23512E-03 4941 0.106E-01 0.220E-01 RMM: 5 -0.363471330344E+03 -0.11056E-03 -0.55639E-04 4542 0.597E-02 0.266E-01 RMM: 6 -0.363470883018E+03 0.44733E-03 -0.23038E-04 3883 0.399E-02 0.649E-02 RMM: 7 -0.363470902536E+03 -0.19518E-04 -0.67409E-05 3470 0.217E-02 7343 T= 5714. E= 0.67896034E+03 F= 0.63169098E+03 E0= 0.66195921E+03 EK= 0.47269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363138007340E+03 0.33288E+00 -0.19988E-01 8712 0.224E+01 0.419E-01 RMM: 2 -0.363178011353E+03 -0.40004E-01 -0.13270E-01 5117 0.827E-01 0.217E+00 RMM: 3 -0.363147114974E+03 0.30896E-01 -0.18479E-02 5368 0.322E-01 0.357E-01 RMM: 4 -0.363146382026E+03 0.73295E-03 -0.22102E-03 4908 0.965E-02 0.195E-01 RMM: 5 -0.363146515949E+03 -0.13392E-03 -0.55845E-04 4562 0.579E-02 0.259E-01 RMM: 6 -0.363146096404E+03 0.41954E-03 -0.28477E-04 3901 0.443E-02 0.677E-02 RMM: 7 -0.363146144324E+03 -0.47920E-04 -0.85976E-05 3658 0.252E-02 0.112E-01 RMM: 8 -0.363146076911E+03 0.67413E-04 -0.38676E-05 3041 0.191E-02 0.598E-02 RMM: 9 -0.363146054664E+03 0.22247E-04 -0.18221E-05 2551 0.131E-02 0.221E-02 RMM: 10 -0.363146057408E+03 -0.27444E-05 -0.85906E-06 2447 0.826E-03 7344 T= 5955. E= 0.68106624E+03 F= 0.63180124E+03 E0= 0.66202798E+03 EK= 0.49265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362919928129E+03 0.22613E+00 -0.18795E-01 8640 0.231E+01 0.238E-01 RMM: 2 -0.362934964715E+03 -0.15037E-01 -0.10534E-01 5262 0.702E-01 0.955E-01 RMM: 3 -0.362928336619E+03 0.66281E-02 -0.93732E-03 5410 0.205E-01 0.205E-01 RMM: 4 -0.362928335778E+03 0.84096E-06 -0.10729E-03 4685 0.721E-02 0.227E-01 RMM: 5 -0.362928033197E+03 0.30258E-03 -0.31395E-04 4038 0.467E-02 0.123E-01 RMM: 6 -0.362927971699E+03 0.61498E-04 -0.14092E-04 3873 0.321E-02 0.811E-02 RMM: 7 -0.362928004083E+03 -0.32384E-04 -0.66694E-05 3482 0.228E-02 0.112E-01 RMM: 8 -0.362927924162E+03 0.79921E-04 -0.33522E-05 2985 0.184E-02 0.296E-02 RMM: 9 -0.362927920112E+03 0.40503E-05 -0.87648E-06 2459 0.822E-03 7345 T= 6368. E= 0.68448377E+03 F= 0.63180723E+03 E0= 0.66199071E+03 EK= 0.52677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362777635529E+03 0.15029E+00 -0.18730E-01 8640 0.239E+01 0.250E-01 RMM: 2 -0.362791903933E+03 -0.14268E-01 -0.10456E-01 5323 0.724E-01 0.964E-01 RMM: 3 -0.362785604316E+03 0.62996E-02 -0.90904E-03 5699 0.192E-01 0.199E-01 RMM: 4 -0.362785419402E+03 0.18491E-03 -0.83741E-04 4670 0.651E-02 0.189E-01 RMM: 5 -0.362785244663E+03 0.17474E-03 -0.34200E-04 4296 0.504E-02 0.138E-01 RMM: 6 -0.362785190348E+03 0.54315E-04 -0.18611E-04 3878 0.360E-02 0.107E-01 RMM: 7 -0.362785179634E+03 0.10714E-04 -0.79815E-05 3640 0.262E-02 7346 T= 6826. E= 0.68821045E+03 F= 0.63174183E+03 E0= 0.66188094E+03 EK= 0.56469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362672427433E+03 0.11276E+00 -0.19976E-01 8028 0.246E+01 0.241E-01 RMM: 2 -0.362686840575E+03 -0.14413E-01 -0.11428E-01 5178 0.774E-01 0.872E-01 RMM: 3 -0.362681670193E+03 0.51704E-02 -0.10509E-02 5772 0.197E-01 0.204E-01 RMM: 4 -0.362681469696E+03 0.20050E-03 -0.87254E-04 4670 0.711E-02 0.206E-01 RMM: 5 -0.362681171548E+03 0.29815E-03 -0.40823E-04 4477 0.548E-02 0.994E-02 RMM: 6 -0.362681316043E+03 -0.14450E-03 -0.21743E-04 3884 0.383E-02 0.181E-01 RMM: 7 -0.362681160068E+03 0.15598E-03 -0.10404E-04 3829 0.298E-02 0.105E-01 RMM: 8 -0.362681092399E+03 0.67669E-04 -0.41896E-05 3162 0.184E-02 0.383E-02 RMM: 9 -0.362681097429E+03 -0.50304E-05 -0.21879E-05 2555 0.133E-02 7347 T= 7153. E= 0.69081260E+03 F= 0.63164087E+03 E0= 0.66173629E+03 EK= 0.59172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362583207658E+03 0.97885E-01 -0.19761E-01 8016 0.249E+01 0.220E-01 RMM: 2 -0.362596595634E+03 -0.13388E-01 -0.96398E-02 5270 0.713E-01 0.921E-01 RMM: 3 -0.362590582295E+03 0.60133E-02 -0.77227E-03 5439 0.187E-01 0.177E-01 RMM: 4 -0.362590545094E+03 0.37202E-04 -0.81735E-04 4663 0.650E-02 0.188E-01 RMM: 5 -0.362590338922E+03 0.20617E-03 -0.26254E-04 3979 0.443E-02 0.111E-01 RMM: 6 -0.362590304247E+03 0.34676E-04 -0.13856E-04 3877 0.322E-02 0.884E-02 RMM: 7 -0.362590324095E+03 -0.19849E-04 -0.60067E-05 3410 0.223E-02 7348 T= 7197. E= 0.69106762E+03 F= 0.63152659E+03 E0= 0.66157984E+03 EK= 0.59541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362504334793E+03 0.85969E-01 -0.19047E-01 7692 0.247E+01 0.260E-01 RMM: 2 -0.362514417158E+03 -0.10082E-01 -0.90130E-02 5182 0.694E-01 0.691E-01 RMM: 3 -0.362510948390E+03 0.34688E-02 -0.76463E-03 5485 0.185E-01 0.200E-01 RMM: 4 -0.362511199285E+03 -0.25089E-03 -0.95800E-04 4690 0.752E-02 0.307E-01 RMM: 5 -0.362510591472E+03 0.60781E-03 -0.44255E-04 4458 0.553E-02 0.109E-01 RMM: 6 -0.362510637470E+03 -0.45997E-04 -0.17307E-04 3880 0.339E-02 0.141E-01 RMM: 7 -0.362510564015E+03 0.73454E-04 -0.88509E-05 3750 0.271E-02 0.103E-01 RMM: 8 -0.362510497255E+03 0.66760E-04 -0.40402E-05 3139 0.189E-02 0.323E-02 RMM: 9 -0.362510502035E+03 -0.47799E-05 -0.17406E-05 2516 0.118E-02 7349 T= 6939. E= 0.68879929E+03 F= 0.63139706E+03 E0= 0.66141304E+03 EK= 0.57402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362457833503E+03 0.52664E-01 -0.18019E-01 7476 0.240E+01 0.240E-01 RMM: 2 -0.362468714429E+03 -0.10881E-01 -0.88320E-02 4886 0.703E-01 0.774E-01 RMM: 3 -0.362464491166E+03 0.42233E-02 -0.88968E-03 5473 0.203E-01 0.189E-01 RMM: 4 -0.362464598528E+03 -0.10736E-03 -0.98020E-04 4767 0.760E-02 0.247E-01 RMM: 5 -0.362464273432E+03 0.32510E-03 -0.30237E-04 4094 0.460E-02 0.139E-01 RMM: 6 -0.362464161782E+03 0.11165E-03 -0.12901E-04 3879 0.317E-02 0.598E-02 RMM: 7 -0.362464205751E+03 -0.43970E-04 -0.54218E-05 3310 0.209E-02 0.106E-01 RMM: 8 -0.362464132845E+03 0.72906E-04 -0.28404E-05 2870 0.176E-02 0.245E-02 RMM: 9 -0.362464131346E+03 0.14994E-05 -0.83185E-06 2452 0.812E-03 7350 T= 6502. E= 0.68501088E+03 F= 0.63122574E+03 E0= 0.66121030E+03 EK= 0.53785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362476014208E+03 -0.11881E-01 -0.16647E-01 7752 0.232E+01 0.267E-01 RMM: 2 -0.362485023000E+03 -0.90088E-02 -0.77368E-02 5022 0.641E-01 0.696E-01 RMM: 3 -0.362481485780E+03 0.35372E-02 -0.73145E-03 5422 0.184E-01 0.207E-01 RMM: 4 -0.362481992361E+03 -0.50658E-03 -0.11353E-03 4784 0.835E-02 0.358E-01 RMM: 5 -0.362481180264E+03 0.81210E-03 -0.44396E-04 4415 0.552E-02 0.115E-01 RMM: 6 -0.362481130078E+03 0.50186E-04 -0.12226E-04 3867 0.291E-02 0.816E-02 RMM: 7 -0.362481145501E+03 -0.15423E-04 -0.65271E-05 3477 0.224E-02 7351 T= 6065. E= 0.68115681E+03 F= 0.63098023E+03 E0= 0.66094092E+03 EK= 0.50177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362577500974E+03 -0.96371E-01 -0.15444E-01 7716 0.225E+01 0.291E-01 RMM: 2 -0.362587062224E+03 -0.95613E-02 -0.73427E-02 5050 0.632E-01 0.826E-01 RMM: 3 -0.362582486382E+03 0.45758E-02 -0.74916E-03 5406 0.190E-01 0.240E-01 RMM: 4 -0.362582838509E+03 -0.35213E-03 -0.12544E-03 4731 0.855E-02 0.343E-01 RMM: 5 -0.362582105007E+03 0.73350E-03 -0.43504E-04 4350 0.535E-02 0.130E-01 RMM: 6 -0.362582041517E+03 0.63490E-04 -0.13920E-04 3880 0.315E-02 0.940E-02 RMM: 7 -0.362582073887E+03 -0.32370E-04 -0.86413E-05 3648 0.252E-02 0.122E-01 RMM: 8 -0.362581975387E+03 0.98499E-04 -0.51271E-05 3274 0.217E-02 0.303E-02 RMM: 9 -0.362581975808E+03 -0.42067E-06 -0.13173E-05 2487 0.103E-02 7352 T= 5771. E= 0.67838089E+03 F= 0.63064011E+03 E0= 0.66058507E+03 EK= 0.47741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362761778850E+03 -0.17980E+00 -0.15199E-01 7752 0.222E+01 0.258E-01 RMM: 2 -0.362771822572E+03 -0.10044E-01 -0.74760E-02 5017 0.621E-01 0.818E-01 RMM: 3 -0.362767062028E+03 0.47605E-02 -0.74910E-03 5475 0.182E-01 0.183E-01 RMM: 4 -0.362767453121E+03 -0.39109E-03 -0.10425E-03 4673 0.779E-02 0.325E-01 RMM: 5 -0.362766826443E+03 0.62668E-03 -0.39014E-04 4352 0.523E-02 0.127E-01 RMM: 6 -0.362766743327E+03 0.83116E-04 -0.13202E-04 3884 0.310E-02 0.659E-02 RMM: 7 -0.362766781890E+03 -0.38563E-04 -0.55606E-05 3345 0.207E-02 0.105E-01 RMM: 8 -0.362766711268E+03 0.70622E-04 -0.32594E-05 2961 0.185E-02 0.279E-02 RMM: 9 -0.362766707976E+03 0.32927E-05 -0.78549E-06 2456 0.799E-03 7353 T= 5690. E= 0.67727558E+03 F= 0.63020784E+03 E0= 0.66014406E+03 EK= 0.47068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363005781204E+03 -0.23907E+00 -0.15248E-01 8424 0.222E+01 0.273E-01 RMM: 2 -0.363016276977E+03 -0.10496E-01 -0.70303E-02 5220 0.598E-01 0.911E-01 RMM: 3 -0.363010540385E+03 0.57366E-02 -0.70647E-03 5444 0.181E-01 0.212E-01 RMM: 4 -0.363010653017E+03 -0.11263E-03 -0.11240E-03 4662 0.798E-02 0.272E-01 RMM: 5 -0.363010256348E+03 0.39667E-03 -0.42890E-04 4419 0.548E-02 0.155E-01 RMM: 6 -0.363010141404E+03 0.11494E-03 -0.16113E-04 3900 0.338E-02 0.900E-02 RMM: 7 -0.363010182887E+03 -0.41483E-04 -0.10385E-04 3834 0.281E-02 0.122E-01 RMM: 8 -0.363010085424E+03 0.97463E-04 -0.50419E-05 3272 0.214E-02 0.385E-02 RMM: 9 -0.363010078654E+03 0.67706E-05 -0.12379E-05 2484 0.102E-02 7354 T= 5833. E= 0.67796947E+03 F= 0.62971286E+03 E0= 0.65964659E+03 EK= 0.48257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363257976558E+03 -0.24789E+00 -0.16336E-01 8688 0.226E+01 0.266E-01 RMM: 2 -0.363272865556E+03 -0.14889E-01 -0.78290E-02 5180 0.624E-01 0.117E+00 RMM: 3 -0.363263538646E+03 0.93269E-02 -0.79947E-03 5459 0.193E-01 0.197E-01 RMM: 4 -0.363263578233E+03 -0.39587E-04 -0.10657E-03 4624 0.749E-02 0.244E-01 RMM: 5 -0.363263255787E+03 0.32245E-03 -0.43419E-04 4530 0.570E-02 0.141E-01 RMM: 6 -0.363263186871E+03 0.68916E-04 -0.16927E-04 3899 0.338E-02 0.102E-01 RMM: 7 -0.363263208602E+03 -0.21731E-04 -0.95119E-05 3756 0.276E-02 0.121E-01 RMM: 8 -0.363263112506E+03 0.96096E-04 -0.45855E-05 3237 0.203E-02 0.313E-02 RMM: 9 -0.363263111252E+03 0.12540E-05 -0.11690E-05 2480 0.970E-03 7355 T= 6162. E= 0.68018856E+03 F= 0.62920845E+03 E0= 0.65914393E+03 EK= 0.50980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363449088803E+03 -0.18598E+00 -0.17498E-01 8736 0.233E+01 0.242E-01 RMM: 2 -0.363461777442E+03 -0.12689E-01 -0.87534E-02 5278 0.653E-01 0.931E-01 RMM: 3 -0.363455623405E+03 0.61540E-02 -0.80919E-03 5570 0.186E-01 0.209E-01 RMM: 4 -0.363455453730E+03 0.16968E-03 -0.88084E-04 4654 0.688E-02 0.186E-01 RMM: 5 -0.363455287035E+03 0.16669E-03 -0.36665E-04 4347 0.522E-02 0.150E-01 RMM: 6 -0.363455216341E+03 0.70694E-04 -0.20631E-04 3905 0.384E-02 0.114E-01 RMM: 7 -0.363455240637E+03 -0.24296E-04 -0.11387E-04 3879 0.303E-02 0.132E-01 RMM: 8 -0.363455126902E+03 0.11374E-03 -0.52135E-05 3322 0.210E-02 0.362E-02 RMM: 9 -0.363455122842E+03 0.40602E-05 -0.14696E-05 2491 0.110E-02 7356 T= 6580. E= 0.68320216E+03 F= 0.62876812E+03 E0= 0.65870679E+03 EK= 0.54434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363497353331E+03 -0.42226E-01 -0.19358E-01 8808 0.239E+01 0.238E-01 RMM: 2 -0.363511591468E+03 -0.14238E-01 -0.10056E-01 5223 0.696E-01 0.948E-01 RMM: 3 -0.363505114210E+03 0.64773E-02 -0.92691E-03 5785 0.188E-01 0.201E-01 RMM: 4 -0.363504896895E+03 0.21731E-03 -0.82616E-04 4650 0.671E-02 0.190E-01 RMM: 5 -0.363504657236E+03 0.23966E-03 -0.40276E-04 4515 0.565E-02 0.109E-01 RMM: 6 -0.363504724071E+03 -0.66835E-04 -0.18766E-04 3901 0.353E-02 0.152E-01 RMM: 7 -0.363504645629E+03 0.78442E-04 -0.97155E-05 3777 0.281E-02 0.112E-01 RMM: 8 -0.363504565010E+03 0.80619E-04 -0.42002E-05 3178 0.189E-02 0.333E-02 RMM: 9 -0.363504564327E+03 0.68356E-06 -0.14991E-05 2486 0.110E-02 7357 T= 6935. E= 0.68584379E+03 F= 0.62847376E+03 E0= 0.65841435E+03 EK= 0.57370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363332696757E+03 0.17187E+00 -0.20395E-01 8460 0.243E+01 0.232E-01 RMM: 2 -0.363346417354E+03 -0.13721E-01 -0.11537E-01 5185 0.734E-01 0.780E-01 RMM: 3 -0.363341626219E+03 0.47911E-02 -0.10237E-02 5913 0.191E-01 0.186E-01 RMM: 4 -0.363341421970E+03 0.20425E-03 -0.82856E-04 4673 0.690E-02 0.197E-01 RMM: 5 -0.363341207735E+03 0.21423E-03 -0.38902E-04 4480 0.545E-02 0.134E-01 RMM: 6 -0.363341192796E+03 0.14939E-04 -0.20844E-04 3916 0.379E-02 0.130E-01 RMM: 7 -0.363341169248E+03 0.23549E-04 -0.10389E-04 3848 0.294E-02 0.120E-01 RMM: 8 -0.363341074690E+03 0.94557E-04 -0.42142E-05 3164 0.191E-02 0.344E-02 RMM: 9 -0.363341073218E+03 0.14720E-05 -0.16022E-05 2495 0.113E-02 7358 T= 7073. E= 0.68690894E+03 F= 0.62839350E+03 E0= 0.65833142E+03 EK= 0.58515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362921421867E+03 0.41965E+00 -0.20669E-01 8544 0.242E+01 0.237E-01 RMM: 2 -0.362935391191E+03 -0.13969E-01 -0.11465E-01 5176 0.714E-01 0.803E-01 RMM: 3 -0.362930086154E+03 0.53050E-02 -0.92364E-03 5790 0.190E-01 0.187E-01 RMM: 4 -0.362930109975E+03 -0.23821E-04 -0.96805E-04 4679 0.748E-02 0.251E-01 RMM: 5 -0.362929720262E+03 0.38971E-03 -0.43212E-04 4517 0.572E-02 0.112E-01 RMM: 6 -0.362929726012E+03 -0.57496E-05 -0.15732E-04 3891 0.323E-02 7359 T= 6928. E= 0.68587319E+03 F= 0.62855836E+03 E0= 0.65848773E+03 EK= 0.57315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362272220680E+03 0.65750E+00 -0.20399E-01 8640 0.238E+01 0.399E-01 RMM: 2 -0.362301855151E+03 -0.29634E-01 -0.11439E-01 5053 0.739E-01 0.179E+00 RMM: 3 -0.362279801165E+03 0.22054E-01 -0.15074E-02 5392 0.288E-01 0.336E-01 RMM: 4 -0.362279389367E+03 0.41180E-03 -0.21218E-03 5000 0.997E-02 0.266E-01 RMM: 5 -0.362279320198E+03 0.69168E-04 -0.72176E-04 4605 0.680E-02 0.270E-01 RMM: 6 -0.362278869356E+03 0.45084E-03 -0.39497E-04 4054 0.525E-02 0.980E-02 RMM: 7 -0.362278947786E+03 -0.78430E-04 -0.15187E-04 3886 0.335E-02 0.150E-01 RMM: 8 -0.362278811154E+03 0.13663E-03 -0.87410E-05 3764 0.277E-02 0.606E-02 RMM: 9 -0.362278791747E+03 0.19407E-04 -0.19078E-05 2592 0.133E-02 7360 T= 6567. E= 0.68328157E+03 F= 0.62895600E+03 E0= 0.65886888E+03 EK= 0.54326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361425611174E+03 0.85320E+00 -0.19038E-01 8664 0.231E+01 0.396E-01 RMM: 2 -0.361457973573E+03 -0.32362E-01 -0.10229E-01 5118 0.695E-01 0.195E+00 RMM: 3 -0.361432106149E+03 0.25867E-01 -0.14617E-02 5378 0.291E-01 0.383E-01 RMM: 4 -0.361431476001E+03 0.63015E-03 -0.24079E-03 5089 0.109E-01 0.256E-01 RMM: 5 -0.361431458704E+03 0.17297E-04 -0.52723E-04 4567 0.587E-02 0.259E-01 RMM: 6 -0.361431005444E+03 0.45326E-03 -0.19873E-04 3888 0.372E-02 0.602E-02 RMM: 7 -0.361431016366E+03 -0.10922E-04 -0.66092E-05 3450 0.221E-02 7361 T= 6142. E= 0.68035324E+03 F= 0.62954095E+03 E0= 0.65943276E+03 EK= 0.50812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360435958408E+03 0.99505E+00 -0.17648E-01 8352 0.225E+01 0.368E-01 RMM: 2 -0.360458455573E+03 -0.22497E-01 -0.90734E-02 5339 0.648E-01 0.158E+00 RMM: 3 -0.360441318854E+03 0.17137E-01 -0.98407E-03 5385 0.230E-01 0.279E-01 RMM: 4 -0.360441605917E+03 -0.28706E-03 -0.20655E-03 4861 0.105E-01 0.364E-01 RMM: 5 -0.360440969255E+03 0.63666E-03 -0.56556E-04 4590 0.607E-02 0.213E-01 RMM: 6 -0.360440679980E+03 0.28928E-03 -0.20540E-04 3896 0.374E-02 0.722E-02 RMM: 7 -0.360440749686E+03 -0.69707E-04 -0.11079E-04 3851 0.282E-02 0.130E-01 RMM: 8 -0.360440642898E+03 0.10679E-03 -0.51701E-05 3312 0.215E-02 0.462E-02 RMM: 9 -0.360440631653E+03 0.11246E-04 -0.14471E-05 2513 0.111E-02 7362 T= 5803. E= 0.67826797E+03 F= 0.63025887E+03 E0= 0.66012381E+03 EK= 0.48009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359350468747E+03 0.10902E+01 -0.16406E-01 8196 0.221E+01 0.317E-01 RMM: 2 -0.359364882667E+03 -0.14414E-01 -0.88921E-02 5103 0.638E-01 0.110E+00 RMM: 3 -0.359356131510E+03 0.87512E-02 -0.85321E-03 5431 0.203E-01 0.207E-01 RMM: 4 -0.359357005286E+03 -0.87378E-03 -0.15894E-03 4739 0.937E-02 0.429E-01 RMM: 5 -0.359355852664E+03 0.11526E-02 -0.56020E-04 4579 0.616E-02 0.126E-01 RMM: 6 -0.359355767446E+03 0.85218E-04 -0.13347E-04 3866 0.295E-02 0.674E-02 RMM: 7 -0.359355797163E+03 -0.29717E-04 -0.60530E-05 3401 0.214E-02 0.102E-01 RMM: 8 -0.359355727464E+03 0.69699E-04 -0.35408E-05 3022 0.189E-02 0.247E-02 RMM: 9 -0.359355729057E+03 -0.15927E-05 -0.10341E-05 2474 0.895E-03 7363 T= 5646. E= 0.67777446E+03 F= 0.63106450E+03 E0= 0.66090025E+03 EK= 0.46710E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358201496256E+03 0.11542E+01 -0.16104E-01 7824 0.221E+01 0.307E-01 RMM: 2 -0.358214150717E+03 -0.12654E-01 -0.93445E-02 5030 0.670E-01 0.938E-01 RMM: 3 -0.358207892661E+03 0.62581E-02 -0.94270E-03 5532 0.202E-01 0.233E-01 RMM: 4 -0.358208242854E+03 -0.35019E-03 -0.15249E-03 4753 0.921E-02 0.349E-01 RMM: 5 -0.358207522841E+03 0.72001E-03 -0.51300E-04 4467 0.581E-02 0.146E-01 RMM: 6 -0.358207403649E+03 0.11919E-03 -0.13413E-04 3874 0.303E-02 0.690E-02 RMM: 7 -0.358207438252E+03 -0.34603E-04 -0.65027E-05 3464 0.227E-02 0.106E-01 RMM: 8 -0.358207365043E+03 0.73208E-04 -0.34297E-05 3024 0.186E-02 0.298E-02 RMM: 9 -0.358207363591E+03 0.14525E-05 -0.10838E-05 2467 0.930E-03 7364 T= 5711. E= 0.67917678E+03 F= 0.63193180E+03 E0= 0.66173638E+03 EK= 0.47245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356999837332E+03 0.12075E+01 -0.16055E-01 7932 0.225E+01 0.274E-01 RMM: 2 -0.357011989337E+03 -0.12152E-01 -0.84857E-02 5059 0.633E-01 0.915E-01 RMM: 3 -0.357005741090E+03 0.62482E-02 -0.80791E-03 5507 0.187E-01 0.189E-01 RMM: 4 -0.357006200244E+03 -0.45915E-03 -0.12762E-03 4685 0.862E-02 0.343E-01 RMM: 5 -0.357005484074E+03 0.71617E-03 -0.48410E-04 4487 0.580E-02 0.131E-01 RMM: 6 -0.357005406380E+03 0.77694E-04 -0.13817E-04 3874 0.301E-02 0.817E-02 RMM: 7 -0.357005410585E+03 -0.42048E-05 -0.65175E-05 3486 0.238E-02 7365 T= 5989. E= 0.68239893E+03 F= 0.63285645E+03 E0= 0.66262874E+03 EK= 0.49542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355734989778E+03 0.12704E+01 -0.16933E-01 8064 0.233E+01 0.272E-01 RMM: 2 -0.355745657492E+03 -0.10668E-01 -0.83975E-02 5082 0.643E-01 0.815E-01 RMM: 3 -0.355740971313E+03 0.46862E-02 -0.79936E-03 5670 0.179E-01 0.206E-01 RMM: 4 -0.355741137354E+03 -0.16604E-03 -0.11448E-03 4654 0.823E-02 0.299E-01 RMM: 5 -0.355740608109E+03 0.52925E-03 -0.57666E-04 4601 0.649E-02 0.134E-01 RMM: 6 -0.355740584288E+03 0.23821E-04 -0.19012E-04 3882 0.351E-02 0.125E-01 RMM: 7 -0.355740538610E+03 0.45678E-04 -0.99806E-05 3819 0.308E-02 0.102E-01 RMM: 8 -0.355740472412E+03 0.66198E-04 -0.35542E-05 3082 0.181E-02 0.317E-02 RMM: 9 -0.355740477680E+03 -0.52681E-05 -0.15572E-05 2513 0.112E-02 7366 T= 6416. E= 0.68692714E+03 F= 0.63385204E+03 E0= 0.66358989E+03 EK= 0.53075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354385812100E+03 0.13547E+01 -0.18249E-01 8292 0.241E+01 0.208E-01 RMM: 2 -0.354396482072E+03 -0.10670E-01 -0.85854E-02 5137 0.656E-01 0.743E-01 RMM: 3 -0.354392375537E+03 0.41065E-02 -0.79417E-03 5764 0.170E-01 0.154E-01 RMM: 4 -0.354392341658E+03 0.33879E-04 -0.74674E-04 4644 0.672E-02 0.206E-01 RMM: 5 -0.354392096418E+03 0.24524E-03 -0.34721E-04 4314 0.516E-02 0.111E-01 RMM: 6 -0.354392090584E+03 0.58339E-05 -0.15612E-04 3874 0.327E-02 7367 T= 6861. E= 0.69169945E+03 F= 0.63494048E+03 E0= 0.66464315E+03 EK= 0.56759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352936112398E+03 0.14560E+01 -0.19123E-01 8160 0.248E+01 0.359E-01 RMM: 2 -0.352964277539E+03 -0.28165E-01 -0.94674E-02 5178 0.724E-01 0.181E+00 RMM: 3 -0.352942269246E+03 0.22008E-01 -0.13058E-02 5360 0.271E-01 0.262E-01 RMM: 4 -0.352942022739E+03 0.24651E-03 -0.15647E-03 4706 0.839E-02 0.216E-01 RMM: 5 -0.352941894048E+03 0.12869E-03 -0.77178E-04 4607 0.769E-02 0.214E-01 RMM: 6 -0.352941695596E+03 0.19845E-03 -0.35336E-04 4166 0.488E-02 0.124E-01 RMM: 7 -0.352941737842E+03 -0.42246E-04 -0.17150E-04 3880 0.380E-02 0.154E-01 RMM: 8 -0.352941584139E+03 0.15370E-03 -0.85694E-05 3632 0.275E-02 0.417E-02 RMM: 9 -0.352941587039E+03 -0.29000E-05 -0.21908E-05 2614 0.138E-02 7368 T= 7148. E= 0.69527247E+03 F= 0.63613875E+03 E0= 0.66580496E+03 EK= 0.59134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351386829826E+03 0.15548E+01 -0.19577E-01 7968 0.251E+01 0.293E-01 RMM: 2 -0.351410605649E+03 -0.23776E-01 -0.84976E-02 5185 0.661E-01 0.160E+00 RMM: 3 -0.351392732556E+03 0.17873E-01 -0.10439E-02 5363 0.239E-01 0.235E-01 RMM: 4 -0.351392538609E+03 0.19395E-03 -0.13574E-03 4670 0.790E-02 0.202E-01 RMM: 5 -0.351392428261E+03 0.11035E-03 -0.41630E-04 4514 0.567E-02 0.174E-01 RMM: 6 -0.351392241884E+03 0.18638E-03 -0.16683E-04 3881 0.333E-02 0.650E-02 RMM: 7 -0.351392302430E+03 -0.60546E-04 -0.79616E-05 3596 0.246E-02 0.119E-01 RMM: 8 -0.351392208780E+03 0.93650E-04 -0.39063E-05 3117 0.197E-02 0.236E-02 RMM: 9 -0.351392208013E+03 0.76718E-06 -0.82725E-06 2464 0.796E-03 7369 T= 7141. E= 0.69651684E+03 F= 0.63743950E+03 E0= 0.66707040E+03 EK= 0.59077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349776908234E+03 0.16153E+01 -0.19806E-01 7908 0.248E+01 0.300E-01 RMM: 2 -0.349794083884E+03 -0.17176E-01 -0.96109E-02 5016 0.711E-01 0.123E+00 RMM: 3 -0.349783636123E+03 0.10448E-01 -0.10264E-02 5471 0.222E-01 0.216E-01 RMM: 4 -0.349783748796E+03 -0.11267E-03 -0.14565E-03 4760 0.892E-02 0.279E-01 RMM: 5 -0.349783337552E+03 0.41124E-03 -0.50630E-04 4551 0.589E-02 0.163E-01 RMM: 6 -0.349783211952E+03 0.12560E-03 -0.18059E-04 3880 0.346E-02 0.924E-02 RMM: 7 -0.349783227452E+03 -0.15499E-04 -0.97238E-05 3825 0.283E-02 7370 T= 6842. E= 0.69540304E+03 F= 0.63879851E+03 E0= 0.66839718E+03 EK= 0.56605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348178669497E+03 0.16045E+01 -0.18230E-01 7968 0.242E+01 0.302E-01 RMM: 2 -0.348188258303E+03 -0.95888E-02 -0.86405E-02 5092 0.660E-01 0.718E-01 RMM: 3 -0.348184642856E+03 0.36154E-02 -0.82685E-03 5594 0.186E-01 0.244E-01 RMM: 4 -0.348185074869E+03 -0.43201E-03 -0.13628E-03 4764 0.901E-02 0.378E-01 RMM: 5 -0.348184137831E+03 0.93704E-03 -0.60109E-04 4549 0.634E-02 0.112E-01 RMM: 6 -0.348184143502E+03 -0.56706E-05 -0.17989E-04 3880 0.343E-02 7371 T= 6391. E= 0.69301057E+03 F= 0.64014223E+03 E0= 0.66971505E+03 EK= 0.52868E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346667266230E+03 0.15169E+01 -0.17689E-01 8028 0.235E+01 0.413E-01 RMM: 2 -0.346701252158E+03 -0.33986E-01 -0.10524E-01 4878 0.762E-01 0.200E+00 RMM: 3 -0.346674180400E+03 0.27072E-01 -0.16738E-02 5364 0.311E-01 0.363E-01 RMM: 4 -0.346673630225E+03 0.55018E-03 -0.25003E-03 5214 0.109E-01 0.248E-01 RMM: 5 -0.346673467234E+03 0.16299E-03 -0.53527E-04 4502 0.554E-02 0.219E-01 RMM: 6 -0.346673171860E+03 0.29537E-03 -0.21962E-04 3890 0.390E-02 0.734E-02 RMM: 7 -0.346673218649E+03 -0.46789E-04 -0.89302E-05 3640 0.247E-02 0.115E-01 RMM: 8 -0.346673136033E+03 0.82616E-04 -0.45337E-05 3202 0.205E-02 0.472E-02 RMM: 9 -0.346673123905E+03 0.12128E-04 -0.14846E-05 2516 0.113E-02 7372 T= 5967. E= 0.69075756E+03 F= 0.64139079E+03 E0= 0.67094355E+03 EK= 0.49367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345308948509E+03 0.13642E+01 -0.16630E-01 7860 0.230E+01 0.394E-01 RMM: 2 -0.345340673608E+03 -0.31725E-01 -0.84573E-02 5052 0.669E-01 0.198E+00 RMM: 3 -0.345313806891E+03 0.26867E-01 -0.13529E-02 5353 0.283E-01 0.315E-01 RMM: 4 -0.345313725016E+03 0.81875E-04 -0.25501E-03 5191 0.114E-01 0.316E-01 RMM: 5 -0.345313292177E+03 0.43284E-03 -0.55155E-04 4557 0.607E-02 0.206E-01 RMM: 6 -0.345313015342E+03 0.27684E-03 -0.15778E-04 3875 0.331E-02 0.549E-02 RMM: 7 -0.345313055638E+03 -0.40296E-04 -0.72504E-05 3523 0.224E-02 0.100E-01 RMM: 8 -0.345312991684E+03 0.63954E-04 -0.37381E-05 3047 0.187E-02 0.331E-02 RMM: 9 -0.345312986867E+03 0.48172E-05 -0.11771E-05 2479 0.985E-03 7373 T= 5709. E= 0.68970811E+03 F= 0.64248267E+03 E0= 0.67202307E+03 EK= 0.47225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344135541625E+03 0.11775E+01 -0.16452E-01 7968 0.228E+01 0.345E-01 RMM: 2 -0.344154874805E+03 -0.19333E-01 -0.86029E-02 5045 0.658E-01 0.142E+00 RMM: 3 -0.344140967056E+03 0.13908E-01 -0.10395E-02 5384 0.232E-01 0.254E-01 RMM: 4 -0.344141249399E+03 -0.28234E-03 -0.18496E-03 4898 0.987E-02 0.337E-01 RMM: 5 -0.344140585270E+03 0.66413E-03 -0.46831E-04 4328 0.539E-02 0.163E-01 RMM: 6 -0.344140430529E+03 0.15474E-03 -0.14315E-04 3876 0.315E-02 0.708E-02 RMM: 7 -0.344140475113E+03 -0.44584E-04 -0.91372E-05 3681 0.255E-02 0.116E-01 RMM: 8 -0.344140387015E+03 0.88098E-04 -0.45700E-05 3208 0.208E-02 0.319E-02 RMM: 9 -0.344140384459E+03 0.25564E-05 -0.11946E-05 2484 0.958E-03 7374 T= 5682. E= 0.69039429E+03 F= 0.64338515E+03 E0= 0.67291982E+03 EK= 0.47009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343158307346E+03 0.98208E+00 -0.16290E-01 8196 0.230E+01 0.281E-01 RMM: 2 -0.343169329729E+03 -0.11022E-01 -0.71695E-02 5119 0.600E-01 0.945E-01 RMM: 3 -0.343162967574E+03 0.63622E-02 -0.73364E-03 5464 0.185E-01 0.200E-01 RMM: 4 -0.343163339508E+03 -0.37193E-03 -0.12272E-03 4633 0.831E-02 0.325E-01 RMM: 5 -0.343162707963E+03 0.63154E-03 -0.41373E-04 4251 0.527E-02 0.141E-01 RMM: 6 -0.343162601137E+03 0.10683E-03 -0.14543E-04 3872 0.322E-02 0.737E-02 RMM: 7 -0.343162651413E+03 -0.50276E-04 -0.79172E-05 3605 0.242E-02 0.118E-01 RMM: 8 -0.343162555498E+03 0.95915E-04 -0.42956E-05 3159 0.206E-02 0.269E-02 RMM: 9 -0.343162554767E+03 0.73047E-06 -0.10823E-05 2480 0.913E-03 7375 T= 5899. E= 0.69289677E+03 F= 0.64409604E+03 E0= 0.67362977E+03 EK= 0.48801E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342355695443E+03 0.80686E+00 -0.17973E-01 8256 0.237E+01 0.251E-01 RMM: 2 -0.342367549838E+03 -0.11854E-01 -0.83485E-02 5004 0.657E-01 0.899E-01 RMM: 3 -0.342361846354E+03 0.57035E-02 -0.83937E-03 5562 0.188E-01 0.181E-01 RMM: 4 -0.342362024382E+03 -0.17803E-03 -0.10942E-03 4665 0.796E-02 0.275E-01 RMM: 5 -0.342361544519E+03 0.47986E-03 -0.39565E-04 4314 0.526E-02 0.110E-01 RMM: 6 -0.342361530226E+03 0.14293E-04 -0.13552E-04 3876 0.304E-02 7376 T= 6311. E= 0.69684299E+03 F= 0.64463759E+03 E0= 0.67417365E+03 EK= 0.52205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341691008293E+03 0.67054E+00 -0.19487E-01 8160 0.245E+01 0.369E-01 RMM: 2 -0.341717404001E+03 -0.26396E-01 -0.91679E-02 5125 0.724E-01 0.175E+00 RMM: 3 -0.341697126234E+03 0.20278E-01 -0.13948E-02 5356 0.281E-01 0.313E-01 RMM: 4 -0.341696623902E+03 0.50233E-03 -0.16273E-03 4722 0.840E-02 0.185E-01 RMM: 5 -0.341696536724E+03 0.87178E-04 -0.57980E-04 4606 0.652E-02 0.196E-01 RMM: 6 -0.341696347048E+03 0.18968E-03 -0.31888E-04 3950 0.473E-02 0.112E-01 RMM: 7 -0.341696443303E+03 -0.96255E-04 -0.15818E-04 3884 0.348E-02 0.167E-01 RMM: 8 -0.341696265781E+03 0.17752E-03 -0.81115E-05 3640 0.267E-02 0.503E-02 RMM: 9 -0.341696256164E+03 0.96172E-05 -0.18926E-05 2568 0.126E-02 7377 T= 6797. E= 0.70127934E+03 F= 0.64505270E+03 E0= 0.67458843E+03 EK= 0.56227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341105261451E+03 0.59100E+00 -0.20673E-01 8184 0.252E+01 0.326E-01 RMM: 2 -0.341129829566E+03 -0.24568E-01 -0.86841E-02 5199 0.687E-01 0.166E+00 RMM: 3 -0.341111527872E+03 0.18302E-01 -0.11419E-02 5358 0.252E-01 0.344E-01 RMM: 4 -0.341110796126E+03 0.73175E-03 -0.17220E-03 4736 0.910E-02 0.163E-01 RMM: 5 -0.341110801419E+03 -0.52929E-05 -0.41589E-04 4522 0.551E-02 0.185E-01 RMM: 6 -0.341110578443E+03 0.22298E-03 -0.15599E-04 3880 0.334E-02 0.579E-02 RMM: 7 -0.341110641382E+03 -0.62938E-04 -0.91856E-05 3644 0.252E-02 0.118E-01 RMM: 8 -0.341110551547E+03 0.89835E-04 -0.48231E-05 3242 0.216E-02 0.292E-02 RMM: 9 -0.341110547436E+03 0.41108E-05 -0.79119E-06 2461 0.786E-03 7378 T= 7170. E= 0.70471343E+03 F= 0.64539627E+03 E0= 0.67492848E+03 EK= 0.59317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340541719629E+03 0.56883E+00 -0.21788E-01 8184 0.255E+01 0.311E-01 RMM: 2 -0.340563033567E+03 -0.21314E-01 -0.96720E-02 5117 0.745E-01 0.144E+00 RMM: 3 -0.340548806917E+03 0.14227E-01 -0.11484E-02 5403 0.242E-01 0.273E-01 RMM: 4 -0.340548444566E+03 0.36235E-03 -0.13825E-03 4712 0.817E-02 0.186E-01 RMM: 5 -0.340548305836E+03 0.13873E-03 -0.48705E-04 4599 0.606E-02 0.168E-01 RMM: 6 -0.340548179242E+03 0.12659E-03 -0.20739E-04 3880 0.372E-02 0.107E-01 RMM: 7 -0.340548211189E+03 -0.31948E-04 -0.13575E-04 3883 0.321E-02 0.133E-01 RMM: 8 -0.340548097813E+03 0.11338E-03 -0.63365E-05 3423 0.235E-02 0.367E-02 RMM: 9 -0.340548095087E+03 0.27262E-05 -0.11982E-05 2502 0.983E-03 7379 T= 7254. E= 0.70573431E+03 F= 0.64572066E+03 E0= 0.67524174E+03 EK= 0.60014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339967011824E+03 0.58109E+00 -0.21228E-01 8052 0.252E+01 0.277E-01 RMM: 2 -0.339980807534E+03 -0.13796E-01 -0.88349E-02 5177 0.696E-01 0.104E+00 RMM: 3 -0.339973360387E+03 0.74471E-02 -0.88257E-03 5462 0.201E-01 0.224E-01 RMM: 4 -0.339973287233E+03 0.73154E-04 -0.11045E-03 4645 0.760E-02 0.235E-01 RMM: 5 -0.339973004997E+03 0.28224E-03 -0.40627E-04 4493 0.542E-02 0.149E-01 RMM: 6 -0.339972900876E+03 0.10412E-03 -0.18602E-04 3885 0.359E-02 0.888E-02 RMM: 7 -0.339972944989E+03 -0.44113E-04 -0.82203E-05 3643 0.254E-02 0.124E-01 RMM: 8 -0.339972841304E+03 0.10369E-03 -0.42045E-05 3173 0.198E-02 0.296E-02 RMM: 9 -0.339972840396E+03 0.90724E-06 -0.11969E-05 2484 0.964E-03 7380 T= 7002. E= 0.70398252E+03 F= 0.64605660E+03 E0= 0.67555908E+03 EK= 0.57926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339385504667E+03 0.58734E+00 -0.20106E-01 8040 0.244E+01 0.279E-01 RMM: 2 -0.339399581577E+03 -0.14077E-01 -0.10710E-01 5064 0.743E-01 0.918E-01 RMM: 3 -0.339393461656E+03 0.61199E-02 -0.10690E-02 5607 0.207E-01 0.206E-01 RMM: 4 -0.339393585120E+03 -0.12346E-03 -0.12952E-03 4786 0.859E-02 0.293E-01 RMM: 5 -0.339393038622E+03 0.54650E-03 -0.45891E-04 4520 0.568E-02 0.119E-01 RMM: 6 -0.339393005728E+03 0.32894E-04 -0.14198E-04 3882 0.303E-02 0.104E-01 RMM: 7 -0.339392996615E+03 0.91132E-05 -0.79670E-05 3642 0.247E-02 7381 T= 6535. E= 0.70044984E+03 F= 0.64639103E+03 E0= 0.67586905E+03 EK= 0.54059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338856370580E+03 0.53664E+00 -0.17869E-01 8268 0.234E+01 0.320E-01 RMM: 2 -0.338868334638E+03 -0.11964E-01 -0.98980E-02 5168 0.707E-01 0.852E-01 RMM: 3 -0.338863284657E+03 0.50500E-02 -0.97005E-03 5602 0.200E-01 0.248E-01 RMM: 4 -0.338863718605E+03 -0.43395E-03 -0.14026E-03 4766 0.896E-02 0.386E-01 RMM: 5 -0.338862736198E+03 0.98241E-03 -0.56001E-04 4525 0.605E-02 0.124E-01 RMM: 6 -0.338862727047E+03 0.91510E-05 -0.18794E-04 3884 0.350E-02 7382 T= 6051. E= 0.69672795E+03 F= 0.64666695E+03 E0= 0.67611744E+03 EK= 0.50061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338462536450E+03 0.40020E+00 -0.16386E-01 8340 0.225E+01 0.456E-01 RMM: 2 -0.338504318970E+03 -0.41783E-01 -0.10683E-01 5140 0.754E-01 0.227E+00 RMM: 3 -0.338468946875E+03 0.35372E-01 -0.18870E-02 5341 0.334E-01 0.350E-01 RMM: 4 -0.338468606801E+03 0.34007E-03 -0.27020E-03 5181 0.110E-01 0.295E-01 RMM: 5 -0.338468260487E+03 0.34631E-03 -0.54866E-04 4514 0.568E-02 0.222E-01 RMM: 6 -0.338467965905E+03 0.29458E-03 -0.21792E-04 3883 0.387E-02 0.837E-02 RMM: 7 -0.338468040233E+03 -0.74327E-04 -0.13879E-04 3876 0.307E-02 0.136E-01 RMM: 8 -0.338467922487E+03 0.11775E-03 -0.67029E-05 3477 0.234E-02 0.535E-02 RMM: 9 -0.338467906092E+03 0.16394E-04 -0.17182E-05 2553 0.121E-02 7383 T= 5718. E= 0.69410271E+03 F= 0.64679879E+03 E0= 0.67622254E+03 EK= 0.47304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338296648024E+03 0.17127E+00 -0.15663E-01 8436 0.219E+01 0.440E-01 RMM: 2 -0.338332349107E+03 -0.35701E-01 -0.98029E-02 5238 0.715E-01 0.211E+00 RMM: 3 -0.338302493967E+03 0.29855E-01 -0.16787E-02 5361 0.314E-01 0.395E-01 RMM: 4 -0.338301795902E+03 0.69806E-03 -0.27219E-03 5117 0.114E-01 0.269E-01 RMM: 5 -0.338301587048E+03 0.20885E-03 -0.51987E-04 4479 0.576E-02 0.229E-01 RMM: 6 -0.338301245190E+03 0.34186E-03 -0.18188E-04 3880 0.357E-02 0.629E-02 RMM: 7 -0.338301295998E+03 -0.50808E-04 -0.96527E-05 3704 0.248E-02 0.113E-01 RMM: 8 -0.338301216049E+03 0.79949E-04 -0.56107E-05 3346 0.223E-02 0.400E-02 RMM: 9 -0.338301208492E+03 0.75571E-05 -0.12972E-05 2500 0.103E-02 7384 T= 5626. E= 0.69324110E+03 F= 0.64669715E+03 E0= 0.67609833E+03 EK= 0.46544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338430067259E+03 -0.12885E+00 -0.15624E-01 8664 0.218E+01 0.368E-01 RMM: 2 -0.338453498129E+03 -0.23431E-01 -0.86591E-02 5290 0.654E-01 0.162E+00 RMM: 3 -0.338435364119E+03 0.18134E-01 -0.11157E-02 5363 0.245E-01 0.278E-01 RMM: 4 -0.338435413649E+03 -0.49530E-04 -0.19346E-03 4760 0.995E-02 0.310E-01 RMM: 5 -0.338434955220E+03 0.45843E-03 -0.48539E-04 4371 0.554E-02 0.200E-01 RMM: 6 -0.338434707938E+03 0.24728E-03 -0.17330E-04 3880 0.347E-02 0.717E-02 RMM: 7 -0.338434781157E+03 -0.73219E-04 -0.12958E-04 3876 0.295E-02 0.132E-01 RMM: 8 -0.338434665549E+03 0.11561E-03 -0.64785E-05 3439 0.238E-02 0.350E-02 RMM: 9 -0.338434661566E+03 0.39832E-05 -0.12654E-05 2509 0.101E-02 7385 T= 5801. E= 0.69428792E+03 F= 0.64629504E+03 E0= 0.67567993E+03 EK= 0.47993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338884278878E+03 -0.44961E+00 -0.16883E-01 8808 0.222E+01 0.286E-01 RMM: 2 -0.338897917791E+03 -0.13639E-01 -0.87589E-02 5284 0.639E-01 0.104E+00 RMM: 3 -0.338890296241E+03 0.76215E-02 -0.83248E-03 5449 0.196E-01 0.228E-01 RMM: 4 -0.338890330642E+03 -0.34401E-04 -0.12019E-03 4652 0.784E-02 0.259E-01 RMM: 5 -0.338889930251E+03 0.40039E-03 -0.38312E-04 4074 0.504E-02 0.141E-01 RMM: 6 -0.338889834302E+03 0.95949E-04 -0.16154E-04 3888 0.346E-02 0.809E-02 RMM: 7 -0.338889876516E+03 -0.42214E-04 -0.73553E-05 3578 0.235E-02 0.119E-01 RMM: 8 -0.338889782117E+03 0.94400E-04 -0.39545E-05 3105 0.196E-02 0.295E-02 RMM: 9 -0.338889780943E+03 0.11737E-05 -0.11817E-05 2481 0.962E-03 7386 T= 6207. E= 0.69692829E+03 F= 0.64557578E+03 E0= 0.67495292E+03 EK= 0.51353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339605302818E+03 -0.71552E+00 -0.18261E-01 8868 0.230E+01 0.248E-01 RMM: 2 -0.339619508304E+03 -0.14205E-01 -0.94912E-02 5321 0.658E-01 0.982E-01 RMM: 3 -0.339612329095E+03 0.71792E-02 -0.81557E-03 5500 0.187E-01 0.209E-01 RMM: 4 -0.339612177994E+03 0.15110E-03 -0.99929E-04 4652 0.712E-02 0.193E-01 RMM: 5 -0.339611992977E+03 0.18502E-03 -0.41593E-04 4489 0.560E-02 0.141E-01 RMM: 6 -0.339611926162E+03 0.66814E-04 -0.16991E-04 3884 0.338E-02 0.106E-01 RMM: 7 -0.339611941366E+03 -0.15204E-04 -0.10405E-04 3830 0.291E-02 7387 T= 6729. E= 0.70026191E+03 F= 0.64459660E+03 E0= 0.67397560E+03 EK= 0.55665E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340457733112E+03 -0.84581E+00 -0.20290E-01 9084 0.239E+01 0.246E-01 RMM: 2 -0.340470183178E+03 -0.12450E-01 -0.10902E-01 5337 0.724E-01 0.737E-01 RMM: 3 -0.340466269995E+03 0.39132E-02 -0.92429E-03 5871 0.182E-01 0.209E-01 RMM: 4 -0.340466024398E+03 0.24560E-03 -0.74621E-04 4650 0.641E-02 0.203E-01 RMM: 5 -0.340465734586E+03 0.28981E-03 -0.64280E-04 4605 0.717E-02 0.116E-01 RMM: 6 -0.340465959851E+03 -0.22526E-03 -0.31766E-04 3900 0.449E-02 0.219E-01 RMM: 7 -0.340465688774E+03 0.27108E-03 -0.15791E-04 3880 0.389E-02 0.931E-02 RMM: 8 -0.340465638966E+03 0.49807E-04 -0.38223E-05 3105 0.176E-02 0.454E-02 RMM: 9 -0.340465641127E+03 -0.21606E-05 -0.31517E-05 2644 0.164E-02 7388 T= 7165. E= 0.70276782E+03 F= 0.64349232E+03 E0= 0.67288545E+03 EK= 0.59275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341268767539E+03 -0.80313E+00 -0.22282E-01 9060 0.246E+01 0.212E-01 RMM: 2 -0.341284916380E+03 -0.16149E-01 -0.12593E-01 5274 0.784E-01 0.880E-01 RMM: 3 -0.341279201343E+03 0.57150E-02 -0.11246E-02 5822 0.202E-01 0.189E-01 RMM: 4 -0.341278868870E+03 0.33247E-03 -0.73789E-04 4732 0.600E-02 0.143E-01 RMM: 5 -0.341278714187E+03 0.15468E-03 -0.26661E-04 4001 0.469E-02 0.908E-02 RMM: 6 -0.341278794914E+03 -0.80727E-04 -0.19918E-04 3888 0.369E-02 0.150E-01 RMM: 7 -0.341278680296E+03 0.11462E-03 -0.99686E-05 3750 0.291E-02 0.819E-02 RMM: 8 -0.341278637918E+03 0.42378E-04 -0.23430E-05 2604 0.146E-02 0.301E-02 RMM: 9 -0.341278639281E+03 -0.13632E-05 -0.15935E-05 2474 0.116E-02 7389 T= 7306. E= 0.70287116E+03 F= 0.64243134E+03 E0= 0.67184733E+03 EK= 0.60440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341915071438E+03 -0.63643E+00 -0.22505E-01 9192 0.248E+01 0.253E-01 RMM: 2 -0.341928417821E+03 -0.13346E-01 -0.11784E-01 5423 0.732E-01 0.733E-01 RMM: 3 -0.341924049285E+03 0.43685E-02 -0.88618E-03 5937 0.179E-01 0.193E-01 RMM: 4 -0.341923979259E+03 0.70026E-04 -0.91991E-04 4649 0.753E-02 0.247E-01 RMM: 5 -0.341923594018E+03 0.38524E-03 -0.57650E-04 4570 0.655E-02 0.122E-01 RMM: 6 -0.341923723981E+03 -0.12996E-03 -0.25257E-04 3889 0.405E-02 0.186E-01 RMM: 7 -0.341923553125E+03 0.17086E-03 -0.13273E-04 3876 0.352E-02 0.105E-01 RMM: 8 -0.341923485576E+03 0.67549E-04 -0.39851E-05 3147 0.182E-02 0.380E-02 RMM: 9 -0.341923486914E+03 -0.13380E-05 -0.25270E-05 2573 0.145E-02 7390 T= 7072. E= 0.70004302E+03 F= 0.64153537E+03 E0= 0.67098168E+03 EK= 0.58508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342382628001E+03 -0.45914E+00 -0.22015E-01 9096 0.244E+01 0.282E-01 RMM: 2 -0.342397556772E+03 -0.14929E-01 -0.11725E-01 5456 0.724E-01 0.897E-01 RMM: 3 -0.342391257824E+03 0.62989E-02 -0.90127E-03 5797 0.191E-01 0.232E-01 RMM: 4 -0.342391246820E+03 0.11004E-04 -0.11763E-03 4650 0.811E-02 0.266E-01 RMM: 5 -0.342390799229E+03 0.44759E-03 -0.44611E-04 4434 0.552E-02 0.128E-01 RMM: 6 -0.342390759086E+03 0.40143E-04 -0.19539E-04 3885 0.364E-02 0.107E-01 RMM: 7 -0.342390761596E+03 -0.25107E-05 -0.87236E-05 3703 0.269E-02 7391 T= 6584. E= 0.69527738E+03 F= 0.64080815E+03 E0= 0.67028823E+03 EK= 0.54469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342777280246E+03 -0.38652E+00 -0.21670E-01 9168 0.236E+01 0.380E-01 RMM: 2 -0.342792253119E+03 -0.14973E-01 -0.11757E-01 5496 0.748E-01 0.100E+00 RMM: 3 -0.342785152276E+03 0.71008E-02 -0.98177E-03 5588 0.208E-01 0.296E-01 RMM: 4 -0.342785804171E+03 -0.65190E-03 -0.20101E-03 4804 0.107E-01 0.448E-01 RMM: 5 -0.342784505673E+03 0.12985E-02 -0.72378E-04 4544 0.683E-02 0.150E-01 RMM: 6 -0.342784425898E+03 0.79775E-04 -0.19404E-04 3887 0.356E-02 0.110E-01 RMM: 7 -0.342784486835E+03 -0.60937E-04 -0.13761E-04 3878 0.305E-02 0.152E-01 RMM: 8 -0.342784333727E+03 0.15311E-03 -0.77624E-05 3580 0.250E-02 0.327E-02 RMM: 9 -0.342784336372E+03 -0.26448E-05 -0.18142E-05 2548 0.120E-02 7392 T= 6063. E= 0.69030344E+03 F= 0.64014219E+03 E0= 0.66965646E+03 EK= 0.50161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343252311329E+03 -0.46798E+00 -0.19828E-01 9108 0.229E+01 0.364E-01 RMM: 2 -0.343270111386E+03 -0.17800E-01 -0.11765E-01 5421 0.768E-01 0.117E+00 RMM: 3 -0.343260436806E+03 0.96746E-02 -0.11339E-02 5446 0.233E-01 0.301E-01 RMM: 4 -0.343260651260E+03 -0.21445E-03 -0.20027E-03 4779 0.102E-01 0.359E-01 RMM: 5 -0.343259950915E+03 0.70035E-03 -0.52647E-04 4488 0.571E-02 0.192E-01 RMM: 6 -0.343259712218E+03 0.23870E-03 -0.18794E-04 3883 0.362E-02 0.498E-02 RMM: 7 -0.343259775063E+03 -0.62844E-04 -0.68010E-05 3474 0.217E-02 0.114E-01 RMM: 8 -0.343259694881E+03 0.80182E-04 -0.38253E-05 3002 0.192E-02 0.348E-02 RMM: 9 -0.343259691020E+03 0.38607E-05 -0.13105E-05 2488 0.101E-02 7393 T= 5698. E= 0.68651615E+03 F= 0.63938177E+03 E0= 0.66892917E+03 EK= 0.47134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343942319286E+03 -0.68262E+00 -0.17359E-01 9108 0.225E+01 0.348E-01 RMM: 2 -0.343954061313E+03 -0.11742E-01 -0.86986E-02 5547 0.652E-01 0.945E-01 RMM: 3 -0.343947906971E+03 0.61543E-02 -0.71501E-03 5407 0.185E-01 0.265E-01 RMM: 4 -0.343948721333E+03 -0.81436E-03 -0.18619E-03 4723 0.104E-01 0.444E-01 RMM: 5 -0.343947462613E+03 0.12587E-02 -0.66370E-04 4538 0.659E-02 0.147E-01 RMM: 6 -0.343947349472E+03 0.11314E-03 -0.14557E-04 3880 0.309E-02 0.794E-02 RMM: 7 -0.343947399611E+03 -0.50139E-04 -0.10085E-04 3799 0.267E-02 0.123E-01 RMM: 8 -0.343947296651E+03 0.10296E-03 -0.54196E-05 3305 0.220E-02 0.290E-02 RMM: 9 -0.343947296676E+03 -0.24693E-07 -0.14706E-05 2499 0.108E-02 7394 T= 5586. E= 0.68460875E+03 F= 0.63839974E+03 E0= 0.66797905E+03 EK= 0.46209E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344899765909E+03 -0.95247E+00 -0.15866E-01 8880 0.227E+01 0.304E-01 RMM: 2 -0.344909112444E+03 -0.93465E-02 -0.69535E-02 5391 0.595E-01 0.855E-01 RMM: 3 -0.344904136118E+03 0.49763E-02 -0.67801E-03 5459 0.178E-01 0.231E-01 RMM: 4 -0.344904629986E+03 -0.49387E-03 -0.13862E-03 4645 0.902E-02 0.361E-01 RMM: 5 -0.344903824552E+03 0.80543E-03 -0.47719E-04 4380 0.562E-02 0.151E-01 RMM: 6 -0.344903702756E+03 0.12180E-03 -0.17365E-04 3884 0.348E-02 0.762E-02 RMM: 7 -0.344903738420E+03 -0.35664E-04 -0.71414E-05 3528 0.242E-02 0.112E-01 RMM: 8 -0.344903656885E+03 0.81535E-04 -0.33198E-05 3016 0.183E-02 0.301E-02 RMM: 9 -0.344903654534E+03 0.23508E-05 -0.10526E-05 2472 0.903E-03 7395 T= 5750. E= 0.68471274E+03 F= 0.63714523E+03 E0= 0.66675529E+03 EK= 0.47568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346082573262E+03 -0.11789E+01 -0.16088E-01 8808 0.234E+01 0.262E-01 RMM: 2 -0.346091702438E+03 -0.91292E-02 -0.59889E-02 5341 0.577E-01 0.886E-01 RMM: 3 -0.346086511516E+03 0.51909E-02 -0.56471E-03 5550 0.159E-01 0.194E-01 RMM: 4 -0.346086618560E+03 -0.10704E-03 -0.96099E-04 4608 0.771E-02 0.263E-01 RMM: 5 -0.346086245730E+03 0.37283E-03 -0.58278E-04 4585 0.669E-02 0.150E-01 RMM: 6 -0.346086174194E+03 0.71536E-04 -0.23510E-04 3885 0.400E-02 0.113E-01 RMM: 7 -0.346086159357E+03 0.14837E-04 -0.10677E-04 3834 0.324E-02 7396 T= 6146. E= 0.68651002E+03 F= 0.63566654E+03 E0= 0.66530704E+03 EK= 0.50843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347350039700E+03 -0.12639E+01 -0.17879E-01 8748 0.244E+01 0.272E-01 RMM: 2 -0.347358984902E+03 -0.89452E-02 -0.73995E-02 5313 0.671E-01 0.766E-01 RMM: 3 -0.347355291620E+03 0.36933E-02 -0.69960E-03 5610 0.172E-01 0.214E-01 RMM: 4 -0.347355178612E+03 0.11301E-03 -0.84760E-04 4615 0.728E-02 0.240E-01 RMM: 5 -0.347354825850E+03 0.35276E-03 -0.84699E-04 4608 0.833E-02 0.141E-01 RMM: 6 -0.347354998741E+03 -0.17289E-03 -0.40687E-04 4380 0.525E-02 0.217E-01 RMM: 7 -0.347354746061E+03 0.25268E-03 -0.21580E-04 3891 0.436E-02 0.107E-01 RMM: 8 -0.347354678962E+03 0.67099E-04 -0.45175E-05 3218 0.201E-02 0.462E-02 RMM: 9 -0.347354684007E+03 -0.50445E-05 -0.27945E-05 2676 0.155E-02 7397 T= 6652. E= 0.68913684E+03 F= 0.63410732E+03 E0= 0.66377695E+03 EK= 0.55030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348500593665E+03 -0.11459E+01 -0.19259E-01 8796 0.252E+01 0.246E-01 RMM: 2 -0.348514372119E+03 -0.13778E-01 -0.90654E-02 5308 0.761E-01 0.103E+00 RMM: 3 -0.348507620722E+03 0.67514E-02 -0.89516E-03 5540 0.201E-01 0.229E-01 RMM: 4 -0.348507249100E+03 0.37162E-03 -0.76597E-04 4632 0.623E-02 0.145E-01 RMM: 5 -0.348507094280E+03 0.15482E-03 -0.29189E-04 4192 0.495E-02 0.115E-01 RMM: 6 -0.348507131046E+03 -0.36766E-04 -0.24471E-04 3946 0.428E-02 0.148E-01 RMM: 7 -0.348507024117E+03 0.10693E-03 -0.11770E-04 3879 0.308E-02 0.922E-02 RMM: 8 -0.348506970187E+03 0.53930E-04 -0.27223E-05 2775 0.161E-02 0.320E-02 RMM: 9 -0.348506969661E+03 0.52567E-06 -0.15603E-05 2476 0.115E-02 7398 T= 7071. E= 0.69116414E+03 F= 0.63266973E+03 E0= 0.66236554E+03 EK= 0.58494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349343833991E+03 -0.83686E+00 -0.20013E-01 8592 0.257E+01 0.261E-01 RMM: 2 -0.349356177193E+03 -0.12343E-01 -0.99448E-02 5308 0.774E-01 0.860E-01 RMM: 3 -0.349351538648E+03 0.46385E-02 -0.93929E-03 5725 0.192E-01 0.236E-01 RMM: 4 -0.349351146182E+03 0.39247E-03 -0.74393E-04 4626 0.655E-02 0.185E-01 RMM: 5 -0.349350882263E+03 0.26392E-03 -0.59430E-04 4606 0.706E-02 0.136E-01 RMM: 6 -0.349351124530E+03 -0.24227E-03 -0.47720E-04 4578 0.571E-02 0.240E-01 RMM: 7 -0.349350803319E+03 0.32121E-03 -0.21258E-04 3888 0.398E-02 0.104E-01 RMM: 8 -0.349350739505E+03 0.63814E-04 -0.38600E-05 3088 0.185E-02 0.469E-02 RMM: 9 -0.349350738777E+03 0.72849E-06 -0.31982E-05 2607 0.163E-02 7399 T= 7204. E= 0.69113770E+03 F= 0.63154248E+03 E0= 0.66125977E+03 EK= 0.59595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349776705259E+03 -0.42597E+00 -0.19888E-01 8568 0.255E+01 0.253E-01 RMM: 2 -0.349788555418E+03 -0.11850E-01 -0.90778E-02 5218 0.730E-01 0.877E-01 RMM: 3 -0.349783572664E+03 0.49828E-02 -0.92456E-03 5731 0.192E-01 0.213E-01 RMM: 4 -0.349783283619E+03 0.28905E-03 -0.77162E-04 4627 0.655E-02 0.186E-01 RMM: 5 -0.349783046464E+03 0.23715E-03 -0.53844E-04 4592 0.666E-02 0.125E-01 RMM: 6 -0.349783175931E+03 -0.12947E-03 -0.34260E-04 4117 0.482E-02 0.190E-01 RMM: 7 -0.349782996019E+03 0.17991E-03 -0.14195E-04 3884 0.351E-02 0.102E-01 RMM: 8 -0.349782931459E+03 0.64559E-04 -0.32159E-05 2987 0.167E-02 0.384E-02 RMM: 9 -0.349782932090E+03 -0.63099E-06 -0.20298E-05 2515 0.130E-02 7400 T= 6981. E= 0.68857646E+03 F= 0.63082293E+03 E0= 0.66055443E+03 EK= 0.57754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349814343382E+03 -0.31412E-01 -0.18955E-01 8232 0.247E+01 0.274E-01 RMM: 2 -0.349822074045E+03 -0.77307E-02 -0.71185E-02 5125 0.607E-01 0.662E-01 RMM: 3 -0.349819012936E+03 0.30611E-02 -0.67915E-03 5681 0.162E-01 0.204E-01 RMM: 4 -0.349819347447E+03 -0.33451E-03 -0.12366E-03 4696 0.906E-02 0.343E-01 RMM: 5 -0.349818619297E+03 0.72815E-03 -0.64761E-04 4600 0.690E-02 0.129E-01 RMM: 6 -0.349818625954E+03 -0.66574E-05 -0.20419E-04 3885 0.369E-02 0.137E-01 RMM: 7 -0.349818562255E+03 0.63699E-04 -0.10984E-04 3863 0.323E-02 0.105E-01 RMM: 8 -0.349818490627E+03 0.71628E-04 -0.35453E-05 3070 0.180E-02 0.295E-02 RMM: 9 -0.349818492653E+03 -0.20258E-05 -0.15909E-05 2498 0.117E-02 7401 T= 6515. E= 0.68439065E+03 F= 0.63049054E+03 E0= 0.66022829E+03 EK= 0.53900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349552093003E+03 0.26640E+00 -0.17591E-01 7932 0.236E+01 0.300E-01 RMM: 2 -0.349557591812E+03 -0.54988E-02 -0.62656E-02 4987 0.568E-01 0.516E-01 RMM: 3 -0.349555977846E+03 0.16140E-02 -0.62990E-03 5539 0.162E-01 0.274E-01 RMM: 4 -0.349556416610E+03 -0.43876E-03 -0.12618E-03 4703 0.896E-02 0.399E-01 RMM: 5 -0.349555365297E+03 0.10513E-02 -0.63884E-04 4587 0.667E-02 0.936E-02 RMM: 6 -0.349555369197E+03 -0.39003E-05 -0.13955E-04 3884 0.303E-02 7402 T= 6011. E= 0.68017261E+03 F= 0.63044409E+03 E0= 0.66018105E+03 EK= 0.49729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349111920274E+03 0.44345E+00 -0.16579E-01 7632 0.226E+01 0.440E-01 RMM: 2 -0.349136213959E+03 -0.24294E-01 -0.73745E-02 5082 0.637E-01 0.177E+00 RMM: 3 -0.349115249772E+03 0.20964E-01 -0.11921E-02 5354 0.262E-01 0.323E-01 RMM: 4 -0.349115903832E+03 -0.65406E-03 -0.28553E-03 5226 0.125E-01 0.466E-01 RMM: 5 -0.349114754177E+03 0.11497E-02 -0.90756E-04 4608 0.794E-02 0.233E-01 RMM: 6 -0.349114417938E+03 0.33624E-03 -0.24800E-04 3888 0.413E-02 0.853E-02 RMM: 7 -0.349114482122E+03 -0.64184E-04 -0.13642E-04 3879 0.309E-02 0.136E-01 RMM: 8 -0.349114361521E+03 0.12060E-03 -0.65847E-05 3463 0.244E-02 0.476E-02 RMM: 9 -0.349114352956E+03 0.85648E-05 -0.17408E-05 2543 0.121E-02 7403 T= 5643. E= 0.67724402E+03 F= 0.63056337E+03 E0= 0.66029240E+03 EK= 0.46681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348593198976E+03 0.52116E+00 -0.15366E-01 7920 0.221E+01 0.389E-01 RMM: 2 -0.348613218857E+03 -0.20020E-01 -0.61516E-02 5038 0.591E-01 0.161E+00 RMM: 3 -0.348596124399E+03 0.17094E-01 -0.10484E-02 5370 0.246E-01 0.301E-01 RMM: 4 -0.348596596815E+03 -0.47242E-03 -0.24471E-03 5105 0.115E-01 0.411E-01 RMM: 5 -0.348595731253E+03 0.86556E-03 -0.66577E-04 4595 0.686E-02 0.214E-01 RMM: 6 -0.348595426253E+03 0.30500E-03 -0.17288E-04 3879 0.348E-02 0.521E-02 RMM: 7 -0.348595451240E+03 -0.24988E-04 -0.64161E-05 3437 0.216E-02 0.860E-02 RMM: 8 -0.348595404371E+03 0.46870E-04 -0.28216E-05 2902 0.174E-02 0.312E-02 RMM: 9 -0.348595400399E+03 0.39721E-05 -0.83476E-06 2466 0.828E-03 7404 T= 5507. E= 0.67631252E+03 F= 0.63075295E+03 E0= 0.66047131E+03 EK= 0.45560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348057542666E+03 0.53786E+00 -0.15279E-01 7896 0.220E+01 0.378E-01 RMM: 2 -0.348074077158E+03 -0.16534E-01 -0.70164E-02 4996 0.634E-01 0.139E+00 RMM: 3 -0.348061281434E+03 0.12796E-01 -0.99391E-03 5369 0.233E-01 0.275E-01 RMM: 4 -0.348061880601E+03 -0.59917E-03 -0.21504E-03 4994 0.108E-01 0.419E-01 RMM: 5 -0.348060910022E+03 0.97058E-03 -0.69988E-04 4607 0.696E-02 0.197E-01 RMM: 6 -0.348060665743E+03 0.24428E-03 -0.17319E-04 3878 0.337E-02 0.645E-02 RMM: 7 -0.348060714869E+03 -0.49126E-04 -0.91614E-05 3650 0.261E-02 0.115E-01 RMM: 8 -0.348060627690E+03 0.87179E-04 -0.43451E-05 3203 0.206E-02 0.303E-02 RMM: 9 -0.348060627727E+03 -0.36698E-07 -0.13076E-05 2495 0.103E-02 7405 T= 5637. E= 0.67759090E+03 F= 0.63095792E+03 E0= 0.66066396E+03 EK= 0.46633E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347531137894E+03 0.52949E+00 -0.15608E-01 8196 0.224E+01 0.291E-01 RMM: 2 -0.347538590777E+03 -0.74529E-02 -0.54974E-02 5113 0.551E-01 0.792E-01 RMM: 3 -0.347534408059E+03 0.41827E-02 -0.58335E-03 5428 0.165E-01 0.211E-01 RMM: 4 -0.347534977348E+03 -0.56929E-03 -0.14267E-03 4690 0.934E-02 0.377E-01 RMM: 5 -0.347534095659E+03 0.88169E-03 -0.64158E-04 4596 0.678E-02 0.128E-01 RMM: 6 -0.347534028213E+03 0.67446E-04 -0.13037E-04 3866 0.293E-02 0.845E-02 RMM: 7 -0.347534027383E+03 0.83029E-06 -0.66450E-05 3503 0.242E-02 7406 T= 6012. E= 0.68089703E+03 F= 0.63116160E+03 E0= 0.66085620E+03 EK= 0.49735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347003212529E+03 0.53082E+00 -0.16842E-01 8100 0.232E+01 0.290E-01 RMM: 2 -0.347012358087E+03 -0.91456E-02 -0.73497E-02 5070 0.645E-01 0.790E-01 RMM: 3 -0.347008324977E+03 0.40331E-02 -0.77354E-03 5571 0.177E-01 0.224E-01 RMM: 4 -0.347008625315E+03 -0.30034E-03 -0.13448E-03 4730 0.924E-02 0.345E-01 RMM: 5 -0.347007879254E+03 0.74606E-03 -0.75515E-04 4606 0.754E-02 0.122E-01 RMM: 6 -0.347007911099E+03 -0.31845E-04 -0.19940E-04 3876 0.361E-02 0.146E-01 RMM: 7 -0.347007804519E+03 0.10658E-03 -0.11147E-04 3857 0.331E-02 0.887E-02 RMM: 8 -0.347007755259E+03 0.49260E-04 -0.33587E-05 3028 0.177E-02 0.341E-02 RMM: 9 -0.347007763126E+03 -0.78667E-05 -0.17894E-05 2531 0.124E-02 7407 T= 6546. E= 0.68553142E+03 F= 0.63137669E+03 E0= 0.66106126E+03 EK= 0.54155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346454973942E+03 0.55278E+00 -0.17884E-01 8100 0.241E+01 0.225E-01 RMM: 2 -0.346464007364E+03 -0.90334E-02 -0.75427E-02 5172 0.662E-01 0.712E-01 RMM: 3 -0.346460690252E+03 0.33171E-02 -0.75045E-03 5641 0.171E-01 0.159E-01 RMM: 4 -0.346460736894E+03 -0.46643E-04 -0.79587E-04 4626 0.706E-02 0.237E-01 RMM: 5 -0.346460402491E+03 0.33440E-03 -0.44263E-04 4561 0.589E-02 0.114E-01 RMM: 6 -0.346460426753E+03 -0.24262E-04 -0.20359E-04 3888 0.369E-02 0.131E-01 RMM: 7 -0.346460358529E+03 0.68224E-04 -0.75543E-05 3560 0.271E-02 0.873E-02 RMM: 8 -0.346460308285E+03 0.50244E-04 -0.22263E-05 2724 0.146E-02 0.234E-02 RMM: 9 -0.346460306995E+03 0.12907E-05 -0.67176E-06 2450 0.745E-03 7408 T= 7068. E= 0.69009961E+03 F= 0.63162545E+03 E0= 0.66130306E+03 EK= 0.58474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345877802746E+03 0.58251E+00 -0.18512E-01 8352 0.247E+01 0.268E-01 RMM: 2 -0.345887152136E+03 -0.93494E-02 -0.79586E-02 5227 0.685E-01 0.753E-01 RMM: 3 -0.345883567175E+03 0.35850E-02 -0.75432E-03 5694 0.172E-01 0.195E-01 RMM: 4 -0.345883697048E+03 -0.12987E-03 -0.10104E-03 4640 0.815E-02 0.295E-01 RMM: 5 -0.345883151626E+03 0.54542E-03 -0.66259E-04 4603 0.716E-02 0.125E-01 RMM: 6 -0.345883227623E+03 -0.75997E-04 -0.28358E-04 3895 0.434E-02 0.168E-01 RMM: 7 -0.345883086238E+03 0.14138E-03 -0.12627E-04 3856 0.354E-02 0.952E-02 RMM: 8 -0.345883029971E+03 0.56268E-04 -0.26110E-05 2852 0.154E-02 0.332E-02 RMM: 9 -0.345883031917E+03 -0.19460E-05 -0.16451E-05 2500 0.117E-02 7409 T= 7359. E= 0.69279417E+03 F= 0.63191299E+03 E0= 0.66158606E+03 EK= 0.60881E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345302900641E+03 0.58013E+00 -0.18478E-01 8028 0.248E+01 0.256E-01 RMM: 2 -0.345312940405E+03 -0.10040E-01 -0.80580E-02 5149 0.687E-01 0.784E-01 RMM: 3 -0.345308811808E+03 0.41286E-02 -0.77489E-03 5617 0.180E-01 0.181E-01 RMM: 4 -0.345308970838E+03 -0.15903E-03 -0.10154E-03 4664 0.806E-02 0.283E-01 RMM: 5 -0.345308483385E+03 0.48745E-03 -0.53812E-04 4589 0.639E-02 0.123E-01 RMM: 6 -0.345308514046E+03 -0.30661E-04 -0.20486E-04 3883 0.368E-02 0.143E-01 RMM: 7 -0.345308438216E+03 0.75830E-04 -0.89721E-05 3697 0.291E-02 0.101E-01 RMM: 8 -0.345308371993E+03 0.66223E-04 -0.31829E-05 3024 0.171E-02 0.284E-02 RMM: 9 -0.345308372515E+03 -0.52171E-06 -0.11980E-05 2475 0.995E-03 7410 T= 7279. E= 0.69241360E+03 F= 0.63220047E+03 E0= 0.66186979E+03 EK= 0.60213E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344810493309E+03 0.49788E+00 -0.17861E-01 7920 0.243E+01 0.295E-01 RMM: 2 -0.344819323461E+03 -0.88302E-02 -0.74955E-02 5199 0.648E-01 0.761E-01 RMM: 3 -0.344815390024E+03 0.39334E-02 -0.66221E-03 5484 0.175E-01 0.214E-01 RMM: 4 -0.344816020347E+03 -0.63032E-03 -0.13221E-03 4753 0.919E-02 0.392E-01 RMM: 5 -0.344815023975E+03 0.99637E-03 -0.58002E-04 4587 0.643E-02 0.117E-01 RMM: 6 -0.344815007407E+03 0.16568E-04 -0.17882E-04 3884 0.342E-02 7411 T= 6876. E= 0.68928400E+03 F= 0.63240206E+03 E0= 0.66206716E+03 EK= 0.56882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344498559113E+03 0.31646E+00 -0.17357E-01 7812 0.234E+01 0.459E-01 RMM: 2 -0.344531968563E+03 -0.33409E-01 -0.90860E-02 5067 0.741E-01 0.207E+00 RMM: 3 -0.344503519088E+03 0.28449E-01 -0.16024E-02 5339 0.311E-01 0.348E-01 RMM: 4 -0.344503548290E+03 -0.29203E-04 -0.27014E-03 5288 0.119E-01 0.376E-01 RMM: 5 -0.344503116842E+03 0.43145E-03 -0.82442E-04 4605 0.722E-02 0.298E-01 RMM: 6 -0.344502548589E+03 0.56825E-03 -0.43229E-04 4140 0.553E-02 0.104E-01 RMM: 7 -0.344502602084E+03 -0.53495E-04 -0.15968E-04 3884 0.337E-02 0.141E-01 RMM: 8 -0.344502474795E+03 0.12729E-03 -0.72021E-05 3544 0.257E-02 0.550E-02 RMM: 9 -0.344502460218E+03 0.14578E-04 -0.19477E-05 2593 0.131E-02 7412 T= 6351. E= 0.68494958E+03 F= 0.63241267E+03 E0= 0.66206957E+03 EK= 0.52537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344458013710E+03 0.44461E-01 -0.16144E-01 7860 0.225E+01 0.426E-01 RMM: 2 -0.344488075106E+03 -0.30061E-01 -0.76772E-02 5101 0.677E-01 0.196E+00 RMM: 3 -0.344462143995E+03 0.25931E-01 -0.13638E-02 5348 0.289E-01 0.363E-01 RMM: 4 -0.344462002804E+03 0.14119E-03 -0.27955E-03 5301 0.123E-01 0.359E-01 RMM: 5 -0.344461604056E+03 0.39875E-03 -0.71575E-04 4604 0.716E-02 0.272E-01 RMM: 6 -0.344461102663E+03 0.50139E-03 -0.23458E-04 3900 0.414E-02 0.567E-02 RMM: 7 -0.344461132349E+03 -0.29686E-04 -0.83195E-05 3595 0.246E-02 0.920E-02 RMM: 8 -0.344461078287E+03 0.54062E-04 -0.34016E-05 3017 0.188E-02 0.335E-02 RMM: 9 -0.344461072923E+03 0.53645E-05 -0.95926E-06 2481 0.919E-03 7413 T= 5912. E= 0.68104632E+03 F= 0.63213966E+03 E0= 0.66178514E+03 EK= 0.48907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344742632930E+03 -0.28155E+00 -0.15382E-01 7788 0.219E+01 0.381E-01 RMM: 2 -0.344759131964E+03 -0.16499E-01 -0.72498E-02 5105 0.650E-01 0.136E+00 RMM: 3 -0.344746571693E+03 0.12560E-01 -0.93078E-03 5384 0.224E-01 0.253E-01 RMM: 4 -0.344747506741E+03 -0.93505E-03 -0.22428E-03 5135 0.114E-01 0.464E-01 RMM: 5 -0.344746190201E+03 0.13165E-02 -0.76827E-04 4605 0.741E-02 0.174E-01 RMM: 6 -0.344746021727E+03 0.16847E-03 -0.19078E-04 3883 0.356E-02 0.852E-02 RMM: 7 -0.344746044691E+03 -0.22964E-04 -0.91351E-05 3690 0.268E-02 0.112E-01 RMM: 8 -0.344745963247E+03 0.81444E-04 -0.45061E-05 3220 0.206E-02 0.319E-02 RMM: 9 -0.344745963781E+03 -0.53325E-06 -0.12297E-05 2494 0.987E-03 7414 T= 5689. E= 0.67859603E+03 F= 0.63152962E+03 E0= 0.66115976E+03 EK= 0.47066E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345365754248E+03 -0.61979E+00 -0.14824E-01 8292 0.218E+01 0.331E-01 RMM: 2 -0.345375276127E+03 -0.95219E-02 -0.58667E-02 5170 0.581E-01 0.986E-01 RMM: 3 -0.345368852949E+03 0.64232E-02 -0.66181E-03 5429 0.186E-01 0.240E-01 RMM: 4 -0.345369551241E+03 -0.69829E-03 -0.16002E-03 4744 0.980E-02 0.417E-01 RMM: 5 -0.345368547752E+03 0.10035E-02 -0.67268E-04 4591 0.694E-02 0.177E-01 RMM: 6 -0.345368365447E+03 0.18231E-03 -0.20447E-04 3897 0.373E-02 0.727E-02 RMM: 7 -0.345368410068E+03 -0.44621E-04 -0.72199E-05 3543 0.247E-02 0.115E-01 RMM: 8 -0.345368321830E+03 0.88238E-04 -0.34361E-05 3047 0.186E-02 0.284E-02 RMM: 9 -0.345368321194E+03 0.63594E-06 -0.11011E-05 2484 0.953E-03 7415 T= 5730. E= 0.67797737E+03 F= 0.63057624E+03 E0= 0.66018800E+03 EK= 0.47401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346287438396E+03 -0.91912E+00 -0.15053E-01 8280 0.222E+01 0.292E-01 RMM: 2 -0.346295637391E+03 -0.81990E-02 -0.59751E-02 5142 0.583E-01 0.819E-01 RMM: 3 -0.346291158154E+03 0.44792E-02 -0.61629E-03 5481 0.170E-01 0.220E-01 RMM: 4 -0.346291509241E+03 -0.35109E-03 -0.13606E-03 4677 0.920E-02 0.341E-01 RMM: 5 -0.346290815923E+03 0.69332E-03 -0.72063E-04 4606 0.739E-02 0.149E-01 RMM: 6 -0.346290732986E+03 0.82936E-04 -0.18449E-04 3888 0.352E-02 0.107E-01 RMM: 7 -0.346290718216E+03 0.14771E-04 -0.10625E-04 3819 0.312E-02 7416 T= 6015. E= 0.67908292E+03 F= 0.62932294E+03 E0= 0.65891387E+03 EK= 0.49760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347415380906E+03 -0.11246E+01 -0.16217E-01 8724 0.230E+01 0.305E-01 RMM: 2 -0.347424870600E+03 -0.94897E-02 -0.61211E-02 5288 0.601E-01 0.941E-01 RMM: 3 -0.347419161851E+03 0.57087E-02 -0.61837E-03 5500 0.173E-01 0.238E-01 RMM: 4 -0.347419268352E+03 -0.10650E-03 -0.12232E-03 4630 0.872E-02 0.309E-01 RMM: 5 -0.347418795008E+03 0.47334E-03 -0.10689E-03 4608 0.929E-02 0.191E-01 RMM: 6 -0.347418678456E+03 0.11655E-03 -0.34699E-04 3936 0.483E-02 0.143E-01 RMM: 7 -0.347418605549E+03 0.72907E-04 -0.18750E-04 3886 0.438E-02 0.113E-01 RMM: 8 -0.347418525623E+03 0.79926E-04 -0.43057E-05 3149 0.202E-02 0.400E-02 RMM: 9 -0.347418529491E+03 -0.38683E-05 -0.21819E-05 2594 0.138E-02 7417 T= 6461. E= 0.68131882E+03 F= 0.62786898E+03 E0= 0.65743876E+03 EK= 0.53450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348595267285E+03 -0.11767E+01 -0.17533E-01 8532 0.239E+01 0.220E-01 RMM: 2 -0.348605320302E+03 -0.10053E-01 -0.72566E-02 5233 0.654E-01 0.827E-01 RMM: 3 -0.348600837896E+03 0.44824E-02 -0.70372E-03 5663 0.169E-01 0.193E-01 RMM: 4 -0.348600619247E+03 0.21865E-03 -0.69612E-04 4614 0.644E-02 0.168E-01 RMM: 5 -0.348600433569E+03 0.18568E-03 -0.57591E-04 4600 0.700E-02 0.114E-01 RMM: 6 -0.348600507416E+03 -0.73847E-04 -0.26240E-04 3894 0.421E-02 0.155E-01 RMM: 7 -0.348600395939E+03 0.11148E-03 -0.99745E-05 3742 0.317E-02 0.931E-02 RMM: 8 -0.348600338917E+03 0.57023E-04 -0.23267E-05 2728 0.146E-02 0.232E-02 RMM: 9 -0.348600338790E+03 0.12661E-06 -0.86315E-06 2456 0.850E-03 7418 T= 6910. E= 0.68353263E+03 F= 0.62636714E+03 E0= 0.65591542E+03 EK= 0.57165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349643662497E+03 -0.10433E+01 -0.18445E-01 8652 0.246E+01 0.271E-01 RMM: 2 -0.349653784523E+03 -0.10122E-01 -0.71096E-02 5349 0.652E-01 0.895E-01 RMM: 3 -0.349648581656E+03 0.52029E-02 -0.64855E-03 5647 0.167E-01 0.228E-01 RMM: 4 -0.349648367529E+03 0.21413E-03 -0.92348E-04 4607 0.768E-02 0.222E-01 RMM: 5 -0.349648109325E+03 0.25820E-03 -0.10856E-03 4612 0.959E-02 0.163E-01 RMM: 6 -0.349648174087E+03 -0.64762E-04 -0.34727E-04 3936 0.480E-02 0.193E-01 RMM: 7 -0.349647974606E+03 0.19948E-03 -0.21484E-04 3884 0.467E-02 0.103E-01 RMM: 8 -0.349647910443E+03 0.64162E-04 -0.42556E-05 3156 0.195E-02 0.379E-02 RMM: 9 -0.349647913273E+03 -0.28293E-05 -0.21792E-05 2540 0.140E-02 7419 T= 7165. E= 0.68427901E+03 F= 0.62500316E+03 E0= 0.65453157E+03 EK= 0.59276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350386240610E+03 -0.73833E+00 -0.18981E-01 8448 0.249E+01 0.247E-01 RMM: 2 -0.350394834074E+03 -0.85935E-02 -0.67571E-02 5339 0.627E-01 0.767E-01 RMM: 3 -0.350390954768E+03 0.38793E-02 -0.61113E-03 5720 0.158E-01 0.201E-01 RMM: 4 -0.350390826198E+03 0.12857E-03 -0.76175E-04 4608 0.695E-02 0.217E-01 RMM: 5 -0.350390538133E+03 0.28807E-03 -0.84289E-04 4608 0.841E-02 0.126E-01 RMM: 6 -0.350390643450E+03 -0.10532E-03 -0.32691E-04 3910 0.470E-02 0.182E-01 RMM: 7 -0.350390464014E+03 0.17944E-03 -0.15198E-04 3861 0.397E-02 0.873E-02 RMM: 8 -0.350390416075E+03 0.47939E-04 -0.24915E-05 2756 0.151E-02 0.324E-02 RMM: 9 -0.350390417774E+03 -0.16994E-05 -0.16688E-05 2498 0.121E-02 7420 T= 7094. E= 0.68263247E+03 F= 0.62394244E+03 E0= 0.65345340E+03 EK= 0.58690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350727242933E+03 -0.33683E+00 -0.19062E-01 7956 0.245E+01 0.289E-01 RMM: 2 -0.350734966033E+03 -0.77231E-02 -0.65623E-02 5221 0.595E-01 0.729E-01 RMM: 3 -0.350731311027E+03 0.36550E-02 -0.60777E-03 5668 0.160E-01 0.207E-01 RMM: 4 -0.350731799074E+03 -0.48805E-03 -0.14310E-03 4700 0.988E-02 0.372E-01 RMM: 5 -0.350730937783E+03 0.86129E-03 -0.77077E-04 4604 0.762E-02 0.133E-01 RMM: 6 -0.350730922019E+03 0.15764E-04 -0.21820E-04 3892 0.382E-02 0.133E-01 RMM: 7 -0.350730851619E+03 0.70400E-04 -0.12651E-04 3853 0.356E-02 0.960E-02 RMM: 8 -0.350730792269E+03 0.59350E-04 -0.33299E-05 3026 0.179E-02 0.294E-02 RMM: 9 -0.350730795076E+03 -0.28066E-05 -0.15437E-05 2500 0.117E-02 7421 T= 6727. E= 0.67892535E+03 F= 0.62327569E+03 E0= 0.65277211E+03 EK= 0.55650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350665449186E+03 0.65343E-01 -0.17758E-01 7572 0.238E+01 0.321E-01 RMM: 2 -0.350671518134E+03 -0.60689E-02 -0.60157E-02 5280 0.557E-01 0.655E-01 RMM: 3 -0.350668675987E+03 0.28421E-02 -0.52762E-03 5534 0.156E-01 0.256E-01 RMM: 4 -0.350669502639E+03 -0.82665E-03 -0.14706E-03 4685 0.974E-02 0.450E-01 RMM: 5 -0.350668173107E+03 0.13295E-02 -0.72648E-04 4604 0.719E-02 0.112E-01 RMM: 6 -0.350668151008E+03 0.22100E-04 -0.17973E-04 3878 0.342E-02 0.105E-01 RMM: 7 -0.350668117189E+03 0.33819E-04 -0.69263E-05 3590 0.264E-02 0.873E-02 RMM: 8 -0.350668066646E+03 0.50542E-04 -0.22627E-05 2693 0.148E-02 0.255E-02 RMM: 9 -0.350668071618E+03 -0.49720E-05 -0.13557E-05 2486 0.104E-02 7422 T= 6228. E= 0.67452341E+03 F= 0.62299900E+03 E0= 0.65248309E+03 EK= 0.51524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350274718835E+03 0.39335E+00 -0.16481E-01 7368 0.229E+01 0.355E-01 RMM: 2 -0.350279706885E+03 -0.49880E-02 -0.58068E-02 5364 0.543E-01 0.594E-01 RMM: 3 -0.350277652525E+03 0.20544E-02 -0.49539E-03 5383 0.155E-01 0.346E-01 RMM: 4 -0.350278182025E+03 -0.52950E-03 -0.15911E-03 4711 0.102E-01 0.455E-01 RMM: 5 -0.350276809912E+03 0.13721E-02 -0.71987E-04 4589 0.704E-02 0.105E-01 RMM: 6 -0.350276788120E+03 0.21792E-04 -0.13586E-04 3869 0.296E-02 0.975E-02 RMM: 7 -0.350276763118E+03 0.25002E-04 -0.57516E-05 3404 0.225E-02 0.898E-02 RMM: 8 -0.350276710414E+03 0.52704E-04 -0.30415E-05 2975 0.170E-02 0.250E-02 RMM: 9 -0.350276716991E+03 -0.65769E-05 -0.15377E-05 2503 0.110E-02 7423 T= 5787. E= 0.67090941E+03 F= 0.62303662E+03 E0= 0.65251045E+03 EK= 0.47873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349661034690E+03 0.61568E+00 -0.15187E-01 7440 0.223E+01 0.374E-01 RMM: 2 -0.349665917793E+03 -0.48831E-02 -0.56284E-02 5299 0.549E-01 0.641E-01 RMM: 3 -0.349663734367E+03 0.21834E-02 -0.54981E-03 5429 0.161E-01 0.347E-01 RMM: 4 -0.349664428849E+03 -0.69448E-03 -0.16206E-03 4711 0.100E-01 0.489E-01 RMM: 5 -0.349662832235E+03 0.15966E-02 -0.82819E-04 4585 0.756E-02 0.103E-01 RMM: 6 -0.349662815041E+03 0.17194E-04 -0.14628E-04 3871 0.304E-02 7424 T= 5533. E= 0.66906005E+03 F= 0.62328573E+03 E0= 0.65275084E+03 EK= 0.45774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348923554946E+03 0.73928E+00 -0.14693E-01 7596 0.220E+01 0.452E-01 RMM: 2 -0.348946072887E+03 -0.22518E-01 -0.57900E-02 5248 0.578E-01 0.176E+00 RMM: 3 -0.348925380395E+03 0.20692E-01 -0.10706E-02 5345 0.255E-01 0.321E-01 RMM: 4 -0.348926269769E+03 -0.88937E-03 -0.26757E-03 5223 0.121E-01 0.501E-01 RMM: 5 -0.348924897468E+03 0.13723E-02 -0.97401E-04 4608 0.835E-02 0.237E-01 RMM: 6 -0.348924549811E+03 0.34766E-03 -0.28012E-04 3888 0.441E-02 0.862E-02 RMM: 7 -0.348924618890E+03 -0.69079E-04 -0.12959E-04 3877 0.307E-02 0.139E-01 RMM: 8 -0.348924487849E+03 0.13104E-03 -0.65816E-05 3470 0.246E-02 0.442E-02 RMM: 9 -0.348924483648E+03 0.42002E-05 -0.20088E-05 2584 0.130E-02 7425 T= 5530. E= 0.66940156E+03 F= 0.62365537E+03 E0= 0.65311111E+03 EK= 0.45746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348133737266E+03 0.79075E+00 -0.14935E-01 7512 0.223E+01 0.388E-01 RMM: 2 -0.348154775519E+03 -0.21038E-01 -0.47792E-02 5229 0.520E-01 0.168E+00 RMM: 3 -0.348135445609E+03 0.19330E-01 -0.94428E-03 5335 0.241E-01 0.313E-01 RMM: 4 -0.348135695401E+03 -0.24979E-03 -0.23452E-03 5041 0.114E-01 0.378E-01 RMM: 5 -0.348135083861E+03 0.61154E-03 -0.69027E-04 4586 0.717E-02 0.244E-01 RMM: 6 -0.348134690805E+03 0.39306E-03 -0.21870E-04 3886 0.398E-02 0.562E-02 RMM: 7 -0.348134726144E+03 -0.35338E-04 -0.77703E-05 3537 0.243E-02 0.969E-02 RMM: 8 -0.348134663112E+03 0.63031E-04 -0.34237E-05 3057 0.190E-02 0.221E-02 RMM: 9 -0.348134662013E+03 0.10994E-05 -0.66275E-06 2455 0.736E-03 7426 T= 5787. E= 0.67195523E+03 F= 0.62408125E+03 E0= 0.65352855E+03 EK= 0.47874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347330584412E+03 0.80408E+00 -0.15852E-01 7896 0.230E+01 0.360E-01 RMM: 2 -0.347347361148E+03 -0.16777E-01 -0.53134E-02 5233 0.564E-01 0.147E+00 RMM: 3 -0.347333080609E+03 0.14281E-01 -0.77831E-03 5338 0.212E-01 0.265E-01 RMM: 4 -0.347333299113E+03 -0.21850E-03 -0.17738E-03 4758 0.996E-02 0.345E-01 RMM: 5 -0.347332703223E+03 0.59589E-03 -0.83931E-04 4608 0.806E-02 0.199E-01 RMM: 6 -0.347332471924E+03 0.23130E-03 -0.19371E-04 3880 0.363E-02 0.804E-02 RMM: 7 -0.347332482033E+03 -0.10109E-04 -0.11564E-04 3845 0.328E-02 7427 T= 6261. E= 0.67632437E+03 F= 0.62453150E+03 E0= 0.65397036E+03 EK= 0.51793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346523540466E+03 0.80893E+00 -0.17115E-01 8388 0.239E+01 0.307E-01 RMM: 2 -0.346531502100E+03 -0.79616E-02 -0.54770E-02 5324 0.569E-01 0.865E-01 RMM: 3 -0.346526708216E+03 0.47939E-02 -0.52171E-03 5391 0.160E-01 0.240E-01 RMM: 4 -0.346527021262E+03 -0.31305E-03 -0.13751E-03 4641 0.945E-02 0.353E-01 RMM: 5 -0.346526319131E+03 0.70213E-03 -0.99377E-04 4608 0.880E-02 0.168E-01 RMM: 6 -0.346526269777E+03 0.49354E-04 -0.32967E-04 3911 0.474E-02 0.152E-01 RMM: 7 -0.346526185961E+03 0.83816E-04 -0.17017E-04 3863 0.419E-02 0.118E-01 RMM: 8 -0.346526097395E+03 0.88566E-04 -0.49806E-05 3282 0.210E-02 0.373E-02 RMM: 9 -0.346526106674E+03 -0.92799E-05 -0.23308E-05 2646 0.142E-02 7428 T= 6827. E= 0.68147966E+03 F= 0.62500130E+03 E0= 0.65443079E+03 EK= 0.56478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345695791374E+03 0.83031E+00 -0.18977E-01 8292 0.248E+01 0.237E-01 RMM: 2 -0.345707876524E+03 -0.12085E-01 -0.76583E-02 5128 0.670E-01 0.970E-01 RMM: 3 -0.345701594431E+03 0.62821E-02 -0.78873E-03 5549 0.186E-01 0.182E-01 RMM: 4 -0.345701496713E+03 0.97718E-04 -0.84007E-04 4621 0.698E-02 0.200E-01 RMM: 5 -0.345701248757E+03 0.24796E-03 -0.58860E-04 4604 0.705E-02 0.119E-01 RMM: 6 -0.345701299065E+03 -0.50308E-04 -0.24136E-04 3888 0.401E-02 0.149E-01 RMM: 7 -0.345701212370E+03 0.86695E-04 -0.10109E-04 3741 0.312E-02 0.996E-02 RMM: 8 -0.345701147367E+03 0.65003E-04 -0.29826E-05 2975 0.166E-02 0.233E-02 RMM: 9 -0.345701146907E+03 0.46024E-06 -0.84064E-06 2458 0.857E-03 7429 T= 7278. E= 0.68570883E+03 F= 0.62550343E+03 E0= 0.65492226E+03 EK= 0.60205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344843278000E+03 0.85787E+00 -0.19242E-01 8352 0.252E+01 0.283E-01 RMM: 2 -0.344851332055E+03 -0.80541E-02 -0.75478E-02 5331 0.651E-01 0.663E-01 RMM: 3 -0.344848428352E+03 0.29037E-02 -0.67321E-03 5710 0.162E-01 0.206E-01 RMM: 4 -0.344848650329E+03 -0.22198E-03 -0.12341E-03 4658 0.924E-02 0.335E-01 RMM: 5 -0.344847941752E+03 0.70858E-03 -0.83280E-04 4604 0.798E-02 0.120E-01 RMM: 6 -0.344848118670E+03 -0.17692E-03 -0.31456E-04 3892 0.461E-02 0.208E-01 RMM: 7 -0.344847868161E+03 0.25051E-03 -0.15266E-04 3868 0.394E-02 0.852E-02 RMM: 8 -0.344847824040E+03 0.44121E-04 -0.28888E-05 2922 0.159E-02 0.382E-02 RMM: 9 -0.344847827119E+03 -0.30786E-05 -0.22840E-05 2538 0.142E-02 7430 T= 7401. E= 0.68727209E+03 F= 0.62604187E+03 E0= 0.65544920E+03 EK= 0.61230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343976053311E+03 0.87177E+00 -0.19430E-01 8292 0.250E+01 0.269E-01 RMM: 2 -0.343986383023E+03 -0.10330E-01 -0.80732E-02 5213 0.664E-01 0.820E-01 RMM: 3 -0.343981786283E+03 0.45967E-02 -0.76917E-03 5713 0.176E-01 0.193E-01 RMM: 4 -0.343981957761E+03 -0.17148E-03 -0.11035E-03 4671 0.847E-02 0.301E-01 RMM: 5 -0.343981386403E+03 0.57136E-03 -0.63815E-04 4593 0.699E-02 0.122E-01 RMM: 6 -0.343981454250E+03 -0.67846E-04 -0.22661E-04 3883 0.388E-02 0.161E-01 RMM: 7 -0.343981339910E+03 0.11434E-03 -0.10297E-04 3785 0.316E-02 0.991E-02 RMM: 8 -0.343981275742E+03 0.64167E-04 -0.32654E-05 3025 0.172E-02 0.285E-02 RMM: 9 -0.343981278778E+03 -0.30356E-05 -0.14725E-05 2486 0.112E-02 7431 T= 7134. E= 0.68561378E+03 F= 0.62659361E+03 E0= 0.65598755E+03 EK= 0.59020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343146096443E+03 0.83518E+00 -0.18632E-01 8208 0.243E+01 0.321E-01 RMM: 2 -0.343153942758E+03 -0.78463E-02 -0.78040E-02 5269 0.631E-01 0.646E-01 RMM: 3 -0.343150922263E+03 0.30205E-02 -0.67838E-03 5559 0.172E-01 0.241E-01 RMM: 4 -0.343151561274E+03 -0.63901E-03 -0.14792E-03 4768 0.978E-02 0.420E-01 RMM: 5 -0.343150422234E+03 0.11390E-02 -0.68337E-04 4588 0.692E-02 0.119E-01 RMM: 6 -0.343150417367E+03 0.48667E-05 -0.19352E-04 3887 0.356E-02 7432 T= 6614. E= 0.68181776E+03 F= 0.62710239E+03 E0= 0.65648324E+03 EK= 0.54715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342413314533E+03 0.73711E+00 -0.17297E-01 8196 0.233E+01 0.473E-01 RMM: 2 -0.342446733985E+03 -0.33419E-01 -0.87250E-02 5263 0.691E-01 0.210E+00 RMM: 3 -0.342417296477E+03 0.29438E-01 -0.14836E-02 5349 0.298E-01 0.330E-01 RMM: 4 -0.342417930009E+03 -0.63353E-03 -0.28134E-03 5297 0.122E-01 0.466E-01 RMM: 5 -0.342416787731E+03 0.11423E-02 -0.95030E-04 4596 0.813E-02 0.257E-01 RMM: 6 -0.342416394388E+03 0.39334E-03 -0.33530E-04 3934 0.477E-02 0.962E-02 RMM: 7 -0.342416499100E+03 -0.10471E-03 -0.16865E-04 3885 0.345E-02 0.163E-01 RMM: 8 -0.342416320267E+03 0.17883E-03 -0.88126E-05 3656 0.282E-02 0.418E-02 RMM: 9 -0.342416318681E+03 0.15857E-05 -0.21339E-05 2647 0.134E-02 7433 T= 6069. E= 0.67771364E+03 F= 0.62750287E+03 E0= 0.65686766E+03 EK= 0.50211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341825648678E+03 0.59067E+00 -0.16156E-01 8256 0.224E+01 0.416E-01 RMM: 2 -0.341851780385E+03 -0.26132E-01 -0.79138E-02 5244 0.652E-01 0.181E+00 RMM: 3 -0.341829552206E+03 0.22228E-01 -0.12459E-02 5346 0.271E-01 0.298E-01 RMM: 4 -0.341830125187E+03 -0.57298E-03 -0.27323E-03 5230 0.122E-01 0.429E-01 RMM: 5 -0.341829189788E+03 0.93540E-03 -0.71515E-04 4587 0.715E-02 0.231E-01 RMM: 6 -0.341828838754E+03 0.35103E-03 -0.22060E-04 3888 0.395E-02 0.563E-02 RMM: 7 -0.341828884478E+03 -0.45724E-04 -0.70134E-05 3481 0.225E-02 0.104E-01 RMM: 8 -0.341828811956E+03 0.72523E-04 -0.36480E-05 3052 0.194E-02 0.249E-02 RMM: 9 -0.341828810920E+03 0.10359E-05 -0.95358E-06 2466 0.896E-03 7434 T= 5684. E= 0.67477008E+03 F= 0.62774533E+03 E0= 0.65709477E+03 EK= 0.47025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341408236944E+03 0.42058E+00 -0.15413E-01 8448 0.219E+01 0.392E-01 RMM: 2 -0.341422458670E+03 -0.14222E-01 -0.71839E-02 5345 0.604E-01 0.126E+00 RMM: 3 -0.341411598836E+03 0.10860E-01 -0.79292E-03 5380 0.206E-01 0.274E-01 RMM: 4 -0.341412690184E+03 -0.10913E-02 -0.23131E-03 5068 0.117E-01 0.500E-01 RMM: 5 -0.341411109249E+03 0.15809E-02 -0.89573E-04 4599 0.804E-02 0.166E-01 RMM: 6 -0.341410961754E+03 0.14749E-03 -0.18029E-04 3881 0.343E-02 0.856E-02 RMM: 7 -0.341410996223E+03 -0.34469E-04 -0.91197E-05 3700 0.261E-02 0.121E-01 RMM: 8 -0.341410898967E+03 0.97256E-04 -0.47903E-05 3267 0.211E-02 0.310E-02 RMM: 9 -0.341410901967E+03 -0.29998E-05 -0.15309E-05 2514 0.110E-02 7435 T= 5552. E= 0.67374437E+03 F= 0.62781141E+03 E0= 0.65714519E+03 EK= 0.45933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341148137469E+03 0.26276E+00 -0.15555E-01 8652 0.220E+01 0.339E-01 RMM: 2 -0.341159049749E+03 -0.10912E-01 -0.70895E-02 5303 0.588E-01 0.996E-01 RMM: 3 -0.341151976817E+03 0.70729E-02 -0.65576E-03 5419 0.181E-01 0.240E-01 RMM: 4 -0.341152786827E+03 -0.81001E-03 -0.17918E-03 4802 0.104E-01 0.436E-01 RMM: 5 -0.341151605518E+03 0.11813E-02 -0.69329E-04 4595 0.698E-02 0.152E-01 RMM: 6 -0.341151491435E+03 0.11408E-03 -0.19776E-04 3882 0.363E-02 0.890E-02 RMM: 7 -0.341151521477E+03 -0.30042E-04 -0.76095E-05 3569 0.256E-02 0.118E-01 RMM: 8 -0.341151428074E+03 0.93402E-04 -0.38809E-05 3144 0.191E-02 0.246E-02 RMM: 9 -0.341151431545E+03 -0.34701E-05 -0.12597E-05 2492 0.995E-03 7436 T= 5696. E= 0.67484208E+03 F= 0.62771962E+03 E0= 0.65703743E+03 EK= 0.47122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340998871348E+03 0.15256E+00 -0.16493E-01 8688 0.225E+01 0.294E-01 RMM: 2 -0.341008828652E+03 -0.99573E-02 -0.78497E-02 5313 0.607E-01 0.812E-01 RMM: 3 -0.341003818472E+03 0.50102E-02 -0.65861E-03 5512 0.172E-01 0.213E-01 RMM: 4 -0.341004330347E+03 -0.51187E-03 -0.14642E-03 4693 0.962E-02 0.374E-01 RMM: 5 -0.341003441794E+03 0.88855E-03 -0.67431E-04 4595 0.703E-02 0.124E-01 RMM: 6 -0.341003419982E+03 0.21812E-04 -0.16772E-04 3880 0.330E-02 0.116E-01 RMM: 7 -0.341003377251E+03 0.42731E-04 -0.84285E-05 3698 0.279E-02 0.944E-02 RMM: 8 -0.341003319453E+03 0.57797E-04 -0.30514E-05 2982 0.171E-02 0.264E-02 RMM: 9 -0.341003322122E+03 -0.26685E-05 -0.12078E-05 2490 0.991E-03 7437 T= 6082. E= 0.67783708E+03 F= 0.62752435E+03 E0= 0.65682588E+03 EK= 0.50313E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340878278154E+03 0.12504E+00 -0.17989E-01 8856 0.233E+01 0.273E-01 RMM: 2 -0.340889636062E+03 -0.11358E-01 -0.89449E-02 5377 0.651E-01 0.828E-01 RMM: 3 -0.340884415530E+03 0.52205E-02 -0.71839E-03 5740 0.171E-01 0.208E-01 RMM: 4 -0.340884520187E+03 -0.10466E-03 -0.11386E-03 4652 0.846E-02 0.289E-01 RMM: 5 -0.340883981706E+03 0.53848E-03 -0.66795E-04 4605 0.720E-02 0.121E-01 RMM: 6 -0.340884046753E+03 -0.65046E-04 -0.24451E-04 3889 0.401E-02 0.160E-01 RMM: 7 -0.340883928287E+03 0.11847E-03 -0.10760E-04 3820 0.329E-02 0.958E-02 RMM: 8 -0.340883868007E+03 0.60280E-04 -0.30682E-05 2992 0.167E-02 0.284E-02 RMM: 9 -0.340883870623E+03 -0.26162E-05 -0.14288E-05 2489 0.110E-02 7438 T= 6606. E= 0.68195867E+03 F= 0.62731281E+03 E0= 0.65659714E+03 EK= 0.54646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340677283866E+03 0.20658E+00 -0.20219E-01 8904 0.242E+01 0.251E-01 RMM: 2 -0.340689478763E+03 -0.12195E-01 -0.10958E-01 5251 0.731E-01 0.706E-01 RMM: 3 -0.340685643250E+03 0.38355E-02 -0.96430E-03 5969 0.184E-01 0.192E-01 RMM: 4 -0.340685562382E+03 0.80868E-04 -0.98732E-04 4661 0.806E-02 0.255E-01 RMM: 5 -0.340685139391E+03 0.42299E-03 -0.64276E-04 4607 0.710E-02 0.113E-01 RMM: 6 -0.340685286638E+03 -0.14725E-03 -0.24810E-04 3886 0.404E-02 0.189E-01 RMM: 7 -0.340685088926E+03 0.19771E-03 -0.12122E-04 3861 0.340E-02 0.886E-02 RMM: 8 -0.340685039211E+03 0.49715E-04 -0.29342E-05 2938 0.162E-02 0.303E-02 RMM: 9 -0.340685039639E+03 -0.42841E-06 -0.18215E-05 2501 0.126E-02 7439 T= 7082. E= 0.68578158E+03 F= 0.62719324E+03 E0= 0.65645947E+03 EK= 0.58588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340297699129E+03 0.38734E+00 -0.21943E-01 8928 0.248E+01 0.259E-01 RMM: 2 -0.340311664740E+03 -0.13966E-01 -0.11923E-01 5296 0.753E-01 0.791E-01 RMM: 3 -0.340306849979E+03 0.48148E-02 -0.10055E-02 5976 0.188E-01 0.205E-01 RMM: 4 -0.340306720723E+03 0.12926E-03 -0.10417E-03 4697 0.820E-02 0.251E-01 RMM: 5 -0.340306283948E+03 0.43678E-03 -0.68801E-04 4607 0.738E-02 0.101E-01 RMM: 6 -0.340306481855E+03 -0.19791E-03 -0.27932E-04 3889 0.429E-02 0.202E-01 RMM: 7 -0.340306248817E+03 0.23304E-03 -0.12269E-04 3834 0.346E-02 0.841E-02 RMM: 8 -0.340306203116E+03 0.45700E-04 -0.28148E-05 2887 0.157E-02 0.311E-02 RMM: 9 -0.340306205157E+03 -0.20407E-05 -0.16072E-05 2493 0.117E-02 7440 T= 7297. E= 0.68763170E+03 F= 0.62726224E+03 E0= 0.65650879E+03 EK= 0.60369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339688839891E+03 0.61736E+00 -0.22575E-01 8892 0.248E+01 0.278E-01 RMM: 2 -0.339701956265E+03 -0.13116E-01 -0.11838E-01 5348 0.737E-01 0.731E-01 RMM: 3 -0.339697463273E+03 0.44930E-02 -0.90125E-03 5978 0.185E-01 0.202E-01 RMM: 4 -0.339697646086E+03 -0.18281E-03 -0.12263E-03 4741 0.889E-02 0.318E-01 RMM: 5 -0.339697026136E+03 0.61995E-03 -0.65722E-04 4597 0.702E-02 0.133E-01 RMM: 6 -0.339697023151E+03 0.29855E-05 -0.23021E-04 3905 0.391E-02 0.136E-01 RMM: 7 -0.339696969880E+03 0.53270E-04 -0.10864E-04 3827 0.316E-02 0.112E-01 RMM: 8 -0.339696889181E+03 0.80699E-04 -0.38113E-05 3128 0.186E-02 0.293E-02 RMM: 9 -0.339696891295E+03 -0.21142E-05 -0.12869E-05 2498 0.103E-02 7441 T= 7140. E= 0.68663018E+03 F= 0.62756368E+03 E0= 0.65679003E+03 EK= 0.59066E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338871382286E+03 0.82551E+00 -0.21858E-01 8736 0.242E+01 0.317E-01 RMM: 2 -0.338885488190E+03 -0.14106E-01 -0.11518E-01 5408 0.718E-01 0.888E-01 RMM: 3 -0.338879294282E+03 0.61939E-02 -0.85915E-03 5702 0.189E-01 0.215E-01 RMM: 4 -0.338879888587E+03 -0.59430E-03 -0.16582E-03 4838 0.102E-01 0.396E-01 RMM: 5 -0.338878906261E+03 0.98233E-03 -0.69467E-04 4594 0.702E-02 0.142E-01 RMM: 6 -0.338878829075E+03 0.77186E-04 -0.19774E-04 3891 0.361E-02 0.101E-01 RMM: 7 -0.338878848164E+03 -0.19089E-04 -0.84729E-05 3677 0.270E-02 7442 T= 6690. E= 0.68341054E+03 F= 0.62806903E+03 E0= 0.65727490E+03 EK= 0.55342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337922948674E+03 0.95588E+00 -0.20704E-01 8652 0.233E+01 0.373E-01 RMM: 2 -0.337934971940E+03 -0.12023E-01 -0.11326E-01 5352 0.723E-01 0.778E-01 RMM: 3 -0.337930362316E+03 0.46096E-02 -0.94842E-03 5677 0.199E-01 0.295E-01 RMM: 4 -0.337931279714E+03 -0.91740E-03 -0.19730E-03 4946 0.109E-01 0.502E-01 RMM: 5 -0.337929649305E+03 0.16304E-02 -0.92330E-04 4598 0.803E-02 0.134E-01 RMM: 6 -0.337929599077E+03 0.50228E-04 -0.18537E-04 3876 0.345E-02 0.112E-01 RMM: 7 -0.337929592779E+03 0.62973E-05 -0.10476E-04 3844 0.286E-02 7443 T= 6153. E= 0.67959462E+03 F= 0.62869632E+03 E0= 0.65788381E+03 EK= 0.50898E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336932244399E+03 0.99735E+00 -0.18808E-01 8652 0.225E+01 0.353E-01 RMM: 2 -0.336943738971E+03 -0.11495E-01 -0.11215E-01 5208 0.730E-01 0.720E-01 RMM: 3 -0.336940028252E+03 0.37107E-02 -0.10001E-02 5660 0.201E-01 0.304E-01 RMM: 4 -0.336940680143E+03 -0.65189E-03 -0.18161E-03 4947 0.105E-01 0.454E-01 RMM: 5 -0.336939327945E+03 0.13522E-02 -0.77936E-04 4600 0.733E-02 0.139E-01 RMM: 6 -0.336939223740E+03 0.10420E-03 -0.17206E-04 3888 0.337E-02 0.762E-02 RMM: 7 -0.336939247291E+03 -0.23551E-04 -0.60009E-05 3407 0.223E-02 0.104E-01 RMM: 8 -0.336939173731E+03 0.73560E-04 -0.30619E-05 2904 0.174E-02 0.278E-02 RMM: 9 -0.336939176393E+03 -0.26619E-05 -0.13849E-05 2500 0.104E-02 7444 T= 5725. E= 0.67671330E+03 F= 0.62935506E+03 E0= 0.65852398E+03 EK= 0.47358E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335969129850E+03 0.97004E+00 -0.17351E-01 8676 0.220E+01 0.344E-01 RMM: 2 -0.335980335279E+03 -0.11205E-01 -0.94991E-02 5176 0.691E-01 0.844E-01 RMM: 3 -0.335975239623E+03 0.50957E-02 -0.90666E-03 5621 0.197E-01 0.239E-01 RMM: 4 -0.335976254326E+03 -0.10147E-02 -0.16423E-03 4829 0.981E-02 0.478E-01 RMM: 5 -0.335974776854E+03 0.14775E-02 -0.70544E-04 4591 0.703E-02 0.123E-01 RMM: 6 -0.335974692092E+03 0.84762E-04 -0.14799E-04 3872 0.309E-02 0.652E-02 RMM: 7 -0.335974721246E+03 -0.29154E-04 -0.51604E-05 3280 0.203E-02 0.982E-02 RMM: 8 -0.335974655985E+03 0.65261E-04 -0.31024E-05 2943 0.178E-02 0.200E-02 RMM: 9 -0.335974659451E+03 -0.34658E-05 -0.98037E-06 2474 0.868E-03 7445 T= 5523. E= 0.67567090E+03 F= 0.62998215E+03 E0= 0.65913333E+03 EK= 0.45689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335058532314E+03 0.91612E+00 -0.16200E-01 8640 0.219E+01 0.333E-01 RMM: 2 -0.335067017484E+03 -0.84852E-02 -0.78767E-02 5211 0.627E-01 0.718E-01 RMM: 3 -0.335063569709E+03 0.34478E-02 -0.73542E-03 5628 0.175E-01 0.261E-01 RMM: 4 -0.335064268844E+03 -0.69914E-03 -0.16569E-03 4795 0.102E-01 0.433E-01 RMM: 5 -0.335063048218E+03 0.12206E-02 -0.72635E-04 4605 0.707E-02 0.135E-01 RMM: 6 -0.335062962597E+03 0.85621E-04 -0.16507E-04 3884 0.328E-02 0.857E-02 RMM: 7 -0.335062965319E+03 -0.27216E-05 -0.66543E-05 3490 0.244E-02 7446 T= 5591. E= 0.67680819E+03 F= 0.63055769E+03 E0= 0.65968999E+03 EK= 0.46251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334180164553E+03 0.88280E+00 -0.16642E-01 8412 0.225E+01 0.314E-01 RMM: 2 -0.334188435641E+03 -0.82711E-02 -0.77218E-02 5173 0.637E-01 0.688E-01 RMM: 3 -0.334185290675E+03 0.31450E-02 -0.74789E-03 5724 0.172E-01 0.238E-01 RMM: 4 -0.334185872093E+03 -0.58142E-03 -0.13927E-03 4681 0.932E-02 0.413E-01 RMM: 5 -0.334184754777E+03 0.11173E-02 -0.74352E-04 4589 0.728E-02 0.104E-01 RMM: 6 -0.334184800164E+03 -0.45386E-04 -0.20802E-04 3888 0.372E-02 0.139E-01 RMM: 7 -0.334184711772E+03 0.88392E-04 -0.93225E-05 3748 0.297E-02 0.907E-02 RMM: 8 -0.334184658642E+03 0.53130E-04 -0.30443E-05 2969 0.167E-02 0.320E-02 RMM: 9 -0.334184665966E+03 -0.73240E-05 -0.18226E-05 2534 0.123E-02 7447 T= 5916. E= 0.68005264E+03 F= 0.63110866E+03 E0= 0.66022224E+03 EK= 0.48944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333270523985E+03 0.91413E+00 -0.17793E-01 8316 0.234E+01 0.258E-01 RMM: 2 -0.333281634293E+03 -0.11110E-01 -0.83748E-02 5184 0.681E-01 0.863E-01 RMM: 3 -0.333276608851E+03 0.50254E-02 -0.82568E-03 5675 0.183E-01 0.183E-01 RMM: 4 -0.333276644321E+03 -0.35470E-04 -0.97734E-04 4657 0.761E-02 0.252E-01 RMM: 5 -0.333276302139E+03 0.34218E-03 -0.52727E-04 4576 0.643E-02 0.143E-01 RMM: 6 -0.333276221165E+03 0.80974E-04 -0.21941E-04 3891 0.389E-02 0.953E-02 RMM: 7 -0.333276211160E+03 0.10005E-04 -0.71130E-05 3549 0.267E-02 7448 T= 6424. E= 0.68484744E+03 F= 0.63170398E+03 E0= 0.66079592E+03 EK= 0.53143E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332238228430E+03 0.10380E+01 -0.19106E-01 8412 0.245E+01 0.279E-01 RMM: 2 -0.332248734804E+03 -0.10506E-01 -0.95074E-02 5239 0.737E-01 0.723E-01 RMM: 3 -0.332245330546E+03 0.34043E-02 -0.90340E-03 5833 0.182E-01 0.205E-01 RMM: 4 -0.332245326084E+03 0.44615E-05 -0.10169E-03 4654 0.814E-02 0.288E-01 RMM: 5 -0.332244797672E+03 0.52841E-03 -0.82201E-04 4606 0.808E-02 0.123E-01 RMM: 6 -0.332244978514E+03 -0.18084E-03 -0.32753E-04 3915 0.469E-02 0.209E-01 RMM: 7 -0.332244741097E+03 0.23742E-03 -0.15035E-04 3864 0.380E-02 0.100E-01 RMM: 8 -0.332244678034E+03 0.63063E-04 -0.42122E-05 3169 0.187E-02 0.388E-02 RMM: 9 -0.332244684847E+03 -0.68135E-05 -0.22162E-05 2581 0.139E-02 7449 T= 6953. E= 0.68995896E+03 F= 0.63243791E+03 E0= 0.66150707E+03 EK= 0.57521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330999018240E+03 0.12457E+01 -0.20553E-01 7980 0.254E+01 0.249E-01 RMM: 2 -0.331014298019E+03 -0.15280E-01 -0.11844E-01 5099 0.836E-01 0.940E-01 RMM: 3 -0.331008576241E+03 0.57218E-02 -0.12405E-02 5820 0.214E-01 0.191E-01 RMM: 4 -0.331008301830E+03 0.27441E-03 -0.91019E-04 4685 0.729E-02 0.194E-01 RMM: 5 -0.331008055524E+03 0.24631E-03 -0.41536E-04 4505 0.577E-02 0.112E-01 RMM: 6 -0.331008110764E+03 -0.55239E-04 -0.24001E-04 3888 0.405E-02 0.147E-01 RMM: 7 -0.331008027531E+03 0.83232E-04 -0.92990E-05 3672 0.286E-02 0.103E-01 RMM: 8 -0.331007955722E+03 0.71810E-04 -0.33909E-05 3028 0.175E-02 0.261E-02 RMM: 9 -0.331007955838E+03 -0.11619E-06 -0.10845E-05 2471 0.946E-03 7450 T= 7283. E= 0.69364025E+03 F= 0.63338974E+03 E0= 0.66243393E+03 EK= 0.60251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329544039574E+03 0.14639E+01 -0.20322E-01 7872 0.257E+01 0.278E-01 RMM: 2 -0.329557773937E+03 -0.13734E-01 -0.11926E-01 5103 0.820E-01 0.802E-01 RMM: 3 -0.329553447001E+03 0.43269E-02 -0.12407E-02 5883 0.209E-01 0.208E-01 RMM: 4 -0.329553332574E+03 0.11443E-03 -0.11607E-03 4781 0.855E-02 0.271E-01 RMM: 5 -0.329552862587E+03 0.46999E-03 -0.62044E-04 4603 0.691E-02 0.126E-01 RMM: 6 -0.329552941603E+03 -0.79016E-04 -0.25806E-04 3895 0.411E-02 0.170E-01 RMM: 7 -0.329552820014E+03 0.12159E-03 -0.11898E-04 3871 0.327E-02 0.111E-01 RMM: 8 -0.329552739054E+03 0.80960E-04 -0.40625E-05 3176 0.186E-02 0.336E-02 RMM: 9 -0.329552741053E+03 -0.19998E-05 -0.15531E-05 2512 0.113E-02 7451 T= 7250. E= 0.69454589E+03 F= 0.63456699E+03 E0= 0.66358613E+03 EK= 0.59979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327968948366E+03 0.15838E+01 -0.19597E-01 8136 0.253E+01 0.319E-01 RMM: 2 -0.327985748334E+03 -0.16800E-01 -0.11140E-01 4908 0.804E-01 0.112E+00 RMM: 3 -0.327977147629E+03 0.86007E-02 -0.13098E-02 5632 0.243E-01 0.206E-01 RMM: 4 -0.327977381605E+03 -0.23398E-03 -0.15443E-03 4985 0.939E-02 0.322E-01 RMM: 5 -0.327976728276E+03 0.65333E-03 -0.55418E-04 4584 0.630E-02 0.132E-01 RMM: 6 -0.327976687553E+03 0.40722E-04 -0.18851E-04 3888 0.354E-02 0.111E-01 RMM: 7 -0.327976691458E+03 -0.39051E-05 -0.90263E-05 3673 0.269E-02 7452 T= 6877. E= 0.69275303E+03 F= 0.63586550E+03 E0= 0.66486049E+03 EK= 0.56888E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326459428302E+03 0.15173E+01 -0.19202E-01 7884 0.244E+01 0.366E-01 RMM: 2 -0.326475004061E+03 -0.15576E-01 -0.13209E-01 4817 0.867E-01 0.914E-01 RMM: 3 -0.326469243990E+03 0.57601E-02 -0.15372E-02 5640 0.259E-01 0.299E-01 RMM: 4 -0.326469648163E+03 -0.40417E-03 -0.20006E-03 5213 0.108E-01 0.423E-01 RMM: 5 -0.326468450803E+03 0.11974E-02 -0.76023E-04 4590 0.737E-02 0.128E-01 RMM: 6 -0.326468424299E+03 0.26504E-04 -0.20141E-04 3892 0.364E-02 0.120E-01 RMM: 7 -0.326468433093E+03 -0.87935E-05 -0.10725E-04 3865 0.284E-02 7453 T= 6354. E= 0.68965558E+03 F= 0.63709169E+03 E0= 0.66606504E+03 EK= 0.52564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325233265559E+03 0.12352E+01 -0.17032E-01 7776 0.234E+01 0.359E-01 RMM: 2 -0.325247527680E+03 -0.14262E-01 -0.11005E-01 4895 0.804E-01 0.981E-01 RMM: 3 -0.325240878568E+03 0.66491E-02 -0.13035E-02 5533 0.250E-01 0.262E-01 RMM: 4 -0.325241518315E+03 -0.63975E-03 -0.19381E-03 5169 0.106E-01 0.422E-01 RMM: 5 -0.325240390489E+03 0.11278E-02 -0.63289E-04 4589 0.668E-02 0.157E-01 RMM: 6 -0.325240247817E+03 0.14267E-03 -0.16855E-04 3888 0.341E-02 0.726E-02 RMM: 7 -0.325240305264E+03 -0.57447E-04 -0.81400E-05 3628 0.241E-02 0.123E-01 RMM: 8 -0.325240204052E+03 0.10121E-03 -0.48109E-05 3223 0.211E-02 0.343E-02 RMM: 9 -0.325240202457E+03 0.15944E-05 -0.16170E-05 2512 0.116E-02 7454 T= 5905. E= 0.68688386E+03 F= 0.63803164E+03 E0= 0.66698652E+03 EK= 0.48852E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324454627160E+03 0.78558E+00 -0.15890E-01 8004 0.227E+01 0.338E-01 RMM: 2 -0.324467023291E+03 -0.12396E-01 -0.10131E-01 4908 0.753E-01 0.882E-01 RMM: 3 -0.324461592317E+03 0.54310E-02 -0.11208E-02 5517 0.230E-01 0.246E-01 RMM: 4 -0.324462466654E+03 -0.87434E-03 -0.16846E-03 5103 0.990E-02 0.459E-01 RMM: 5 -0.324461092719E+03 0.13739E-02 -0.67991E-04 4574 0.702E-02 0.105E-01 RMM: 6 -0.324461044988E+03 0.47730E-04 -0.13111E-04 3857 0.294E-02 0.741E-02 RMM: 7 -0.324461069710E+03 -0.24721E-04 -0.57808E-05 3359 0.212E-02 0.101E-01 RMM: 8 -0.324461000366E+03 0.69344E-04 -0.36594E-05 3051 0.188E-02 0.233E-02 RMM: 9 -0.324461003023E+03 -0.26568E-05 -0.11167E-05 2475 0.948E-03 7455 T= 5680. E= 0.68550863E+03 F= 0.63851836E+03 E0= 0.66745731E+03 EK= 0.46990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324216115360E+03 0.24489E+00 -0.15305E-01 7992 0.225E+01 0.335E-01 RMM: 2 -0.324228560374E+03 -0.12445E-01 -0.87256E-02 4969 0.699E-01 0.970E-01 RMM: 3 -0.324221804735E+03 0.67556E-02 -0.96777E-03 5505 0.217E-01 0.228E-01 RMM: 4 -0.324222294301E+03 -0.48957E-03 -0.17758E-03 5027 0.102E-01 0.373E-01 RMM: 5 -0.324221464069E+03 0.83023E-03 -0.61174E-04 4589 0.667E-02 0.164E-01 RMM: 6 -0.324221301238E+03 0.16283E-03 -0.14325E-04 3885 0.313E-02 0.716E-02 RMM: 7 -0.324221342237E+03 -0.41000E-04 -0.95357E-05 3718 0.267E-02 0.110E-01 RMM: 8 -0.324221258298E+03 0.83939E-04 -0.46500E-05 3230 0.210E-02 0.315E-02 RMM: 9 -0.324221255135E+03 0.31636E-05 -0.11482E-05 2491 0.964E-03 7456 T= 5740. E= 0.68595037E+03 F= 0.63846616E+03 E0= 0.66739353E+03 EK= 0.47484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324520497583E+03 -0.29924E+00 -0.15650E-01 7944 0.228E+01 0.290E-01 RMM: 2 -0.324533011051E+03 -0.12513E-01 -0.84457E-02 5041 0.669E-01 0.944E-01 RMM: 3 -0.324526372651E+03 0.66384E-02 -0.87409E-03 5451 0.204E-01 0.216E-01 RMM: 4 -0.324526671131E+03 -0.29848E-03 -0.13591E-03 4810 0.895E-02 0.320E-01 RMM: 5 -0.324526015943E+03 0.65519E-03 -0.53162E-04 4570 0.628E-02 0.126E-01 RMM: 6 -0.324525954532E+03 0.61411E-04 -0.14906E-04 3880 0.317E-02 0.904E-02 RMM: 7 -0.324525970886E+03 -0.16354E-04 -0.72395E-05 3554 0.246E-02 7457 T= 6072. E= 0.68810789E+03 F= 0.63787534E+03 E0= 0.66679559E+03 EK= 0.50233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325289197520E+03 -0.76324E+00 -0.16629E-01 8016 0.236E+01 0.265E-01 RMM: 2 -0.325299714145E+03 -0.10517E-01 -0.93435E-02 5159 0.704E-01 0.696E-01 RMM: 3 -0.325296185765E+03 0.35284E-02 -0.90771E-03 5881 0.185E-01 0.197E-01 RMM: 4 -0.325296240872E+03 -0.55107E-04 -0.98204E-04 4697 0.783E-02 0.286E-01 RMM: 5 -0.325295733860E+03 0.50701E-03 -0.60423E-04 4600 0.686E-02 0.127E-01 RMM: 6 -0.325295788281E+03 -0.54421E-04 -0.22747E-04 3889 0.386E-02 0.158E-01 RMM: 7 -0.325295672727E+03 0.11555E-03 -0.10415E-04 3827 0.318E-02 0.974E-02 RMM: 8 -0.325295609288E+03 0.63439E-04 -0.36485E-05 3106 0.179E-02 0.319E-02 RMM: 9 -0.325295616725E+03 -0.74363E-05 -0.18922E-05 2526 0.125E-02 7458 T= 6585. E= 0.69130663E+03 F= 0.63682900E+03 E0= 0.66574792E+03 EK= 0.54478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326368464017E+03 -0.10729E+01 -0.17808E-01 7932 0.245E+01 0.241E-01 RMM: 2 -0.326382925764E+03 -0.14462E-01 -0.10885E-01 5092 0.775E-01 0.893E-01 RMM: 3 -0.326377187590E+03 0.57382E-02 -0.11605E-02 5785 0.215E-01 0.211E-01 RMM: 4 -0.326376861242E+03 0.32635E-03 -0.88325E-04 4668 0.683E-02 0.171E-01 RMM: 5 -0.326376692802E+03 0.16844E-03 -0.40204E-04 4551 0.580E-02 0.121E-01 RMM: 6 -0.326376668873E+03 0.23929E-04 -0.18984E-04 3889 0.360E-02 0.114E-01 RMM: 7 -0.326376656607E+03 0.12266E-04 -0.84917E-05 3695 0.269E-02 7459 T= 7094. E= 0.69416942E+03 F= 0.63548084E+03 E0= 0.66440417E+03 EK= 0.58689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327567780569E+03 -0.11911E+01 -0.18634E-01 7860 0.251E+01 0.306E-01 RMM: 2 -0.327583359001E+03 -0.15578E-01 -0.11055E-01 5298 0.782E-01 0.104E+00 RMM: 3 -0.327575948039E+03 0.74110E-02 -0.10957E-02 5771 0.212E-01 0.251E-01 RMM: 4 -0.327575639541E+03 0.30850E-03 -0.11228E-03 4660 0.792E-02 0.231E-01 RMM: 5 -0.327575248835E+03 0.39071E-03 -0.78086E-04 4604 0.791E-02 0.123E-01 RMM: 6 -0.327575429350E+03 -0.18051E-03 -0.35722E-04 3999 0.484E-02 0.207E-01 RMM: 7 -0.327575230531E+03 0.19882E-03 -0.15212E-04 3885 0.371E-02 0.126E-01 RMM: 8 -0.327575129995E+03 0.10054E-03 -0.53914E-05 3337 0.209E-02 0.390E-02 RMM: 9 -0.327575135613E+03 -0.56183E-05 -0.30336E-05 2696 0.162E-02 7460 T= 7365. E= 0.69495065E+03 F= 0.63402138E+03 E0= 0.66295487E+03 EK= 0.60929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328713239503E+03 -0.11381E+01 -0.19150E-01 7908 0.252E+01 0.246E-01 RMM: 2 -0.328728075105E+03 -0.14836E-01 -0.11659E-01 5176 0.803E-01 0.889E-01 RMM: 3 -0.328722502443E+03 0.55727E-02 -0.11950E-02 5917 0.208E-01 0.198E-01 RMM: 4 -0.328722199658E+03 0.30279E-03 -0.86772E-04 4659 0.701E-02 0.192E-01 RMM: 5 -0.328721967622E+03 0.23204E-03 -0.38746E-04 4466 0.560E-02 0.108E-01 RMM: 6 -0.328721989605E+03 -0.21983E-04 -0.18730E-04 3881 0.354E-02 0.130E-01 RMM: 7 -0.328721943373E+03 0.46232E-04 -0.87425E-05 3701 0.273E-02 0.106E-01 RMM: 8 -0.328721868875E+03 0.74498E-04 -0.31328E-05 2993 0.172E-02 0.254E-02 RMM: 9 -0.328721869360E+03 -0.48426E-06 -0.10792E-05 2476 0.920E-03 7461 T= 7252. E= 0.69260549E+03 F= 0.63261388E+03 E0= 0.66156063E+03 EK= 0.59992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329719894056E+03 -0.99803E+00 -0.17808E-01 8088 0.246E+01 0.306E-01 RMM: 2 -0.329731467573E+03 -0.11574E-01 -0.93461E-02 5355 0.701E-01 0.869E-01 RMM: 3 -0.329726281016E+03 0.51866E-02 -0.84449E-03 5882 0.179E-01 0.202E-01 RMM: 4 -0.329726602017E+03 -0.32100E-03 -0.13159E-03 4656 0.911E-02 0.352E-01 RMM: 5 -0.329725803427E+03 0.79859E-03 -0.63534E-04 4582 0.676E-02 0.119E-01 RMM: 6 -0.329725832248E+03 -0.28822E-04 -0.21479E-04 3886 0.372E-02 0.140E-01 RMM: 7 -0.329725759736E+03 0.72513E-04 -0.87442E-05 3682 0.285E-02 0.103E-01 RMM: 8 -0.329725689243E+03 0.70493E-04 -0.32249E-05 3005 0.171E-02 0.297E-02 RMM: 9 -0.329725693213E+03 -0.39703E-05 -0.15146E-05 2499 0.109E-02 7462 T= 6811. E= 0.68768812E+03 F= 0.63134301E+03 E0= 0.66030468E+03 EK= 0.56345E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330582842838E+03 -0.85715E+00 -0.16622E-01 8088 0.236E+01 0.324E-01 RMM: 2 -0.330595750866E+03 -0.12908E-01 -0.88583E-02 5302 0.700E-01 0.103E+00 RMM: 3 -0.330588653444E+03 0.70974E-02 -0.90277E-03 5677 0.196E-01 0.213E-01 RMM: 4 -0.330589044407E+03 -0.39096E-03 -0.15236E-03 4699 0.953E-02 0.356E-01 RMM: 5 -0.330588274283E+03 0.77012E-03 -0.59532E-04 4537 0.644E-02 0.143E-01 RMM: 6 -0.330588169044E+03 0.10524E-03 -0.14880E-04 3874 0.312E-02 0.797E-02 RMM: 7 -0.330588206414E+03 -0.37370E-04 -0.82175E-05 3607 0.251E-02 0.115E-01 RMM: 8 -0.330588118002E+03 0.88412E-04 -0.42056E-05 3170 0.204E-02 0.270E-02 RMM: 9 -0.330588118238E+03 -0.23620E-06 -0.10471E-05 2487 0.907E-03 7463 T= 6252. E= 0.68192004E+03 F= 0.63020238E+03 E0= 0.65917728E+03 EK= 0.51718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331364050703E+03 -0.77593E+00 -0.15224E-01 8100 0.226E+01 0.335E-01 RMM: 2 -0.331373620496E+03 -0.95698E-02 -0.75325E-02 5306 0.640E-01 0.867E-01 RMM: 3 -0.331368577900E+03 0.50426E-02 -0.73345E-03 5636 0.177E-01 0.214E-01 RMM: 4 -0.331369360416E+03 -0.78252E-03 -0.15465E-03 4688 0.973E-02 0.427E-01 RMM: 5 -0.331368171058E+03 0.11894E-02 -0.65930E-04 4563 0.670E-02 0.117E-01 RMM: 6 -0.331368116483E+03 0.54574E-04 -0.15234E-04 3882 0.312E-02 0.868E-02 RMM: 7 -0.331368124993E+03 -0.85095E-05 -0.63779E-05 3453 0.230E-02 7464 T= 5785. E= 0.67699205E+03 F= 0.62913151E+03 E0= 0.65811626E+03 EK= 0.47861E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332129788356E+03 -0.76167E+00 -0.14366E-01 8028 0.220E+01 0.345E-01 RMM: 2 -0.332138305349E+03 -0.85170E-02 -0.69205E-02 5214 0.625E-01 0.843E-01 RMM: 3 -0.332133891934E+03 0.44134E-02 -0.74718E-03 5528 0.185E-01 0.263E-01 RMM: 4 -0.332134605515E+03 -0.71358E-03 -0.16007E-03 4712 0.965E-02 0.439E-01 RMM: 5 -0.332133331549E+03 0.12740E-02 -0.71098E-04 4561 0.698E-02 0.110E-01 RMM: 6 -0.332133316840E+03 0.14709E-04 -0.15437E-04 3875 0.319E-02 7465 T= 5540. E= 0.67389902E+03 F= 0.62806532E+03 E0= 0.65705729E+03 EK= 0.45834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332925244115E+03 -0.79191E+00 -0.14243E-01 8292 0.218E+01 0.418E-01 RMM: 2 -0.332949519008E+03 -0.24275E-01 -0.68712E-02 5186 0.635E-01 0.177E+00 RMM: 3 -0.332928819548E+03 0.20699E-01 -0.12382E-02 5353 0.274E-01 0.363E-01 RMM: 4 -0.332928363600E+03 0.45595E-03 -0.21666E-03 4886 0.105E-01 0.283E-01 RMM: 5 -0.332928289198E+03 0.74403E-04 -0.73566E-04 4607 0.706E-02 0.274E-01 RMM: 6 -0.332927803031E+03 0.48617E-03 -0.30268E-04 3895 0.462E-02 0.892E-02 RMM: 7 -0.332927817667E+03 -0.14636E-04 -0.12007E-04 3846 0.296E-02 7466 T= 5564. E= 0.67299294E+03 F= 0.62696542E+03 E0= 0.65596051E+03 EK= 0.46028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333753612941E+03 -0.82581E+00 -0.14613E-01 8376 0.222E+01 0.369E-01 RMM: 2 -0.333776393496E+03 -0.22781E-01 -0.62979E-02 5169 0.615E-01 0.167E+00 RMM: 3 -0.333757260252E+03 0.19133E-01 -0.10758E-02 5350 0.255E-01 0.330E-01 RMM: 4 -0.333756760901E+03 0.49935E-03 -0.18819E-03 4805 0.983E-02 0.235E-01 RMM: 5 -0.333756815939E+03 -0.55038E-04 -0.69888E-04 4589 0.716E-02 0.268E-01 RMM: 6 -0.333756343263E+03 0.47268E-03 -0.28041E-04 3913 0.454E-02 0.747E-02 RMM: 7 -0.333756410607E+03 -0.67344E-04 -0.13947E-04 3876 0.321E-02 0.129E-01 RMM: 8 -0.333756302796E+03 0.10781E-03 -0.57471E-05 3404 0.235E-02 0.408E-02 RMM: 9 -0.333756294113E+03 0.86830E-05 -0.10323E-05 2502 0.959E-03 7467 T= 5845. E= 0.67418913E+03 F= 0.62583404E+03 E0= 0.65482874E+03 EK= 0.48355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334570883414E+03 -0.81458E+00 -0.15742E-01 8280 0.229E+01 0.294E-01 RMM: 2 -0.334588249907E+03 -0.17366E-01 -0.69386E-02 5157 0.628E-01 0.137E+00 RMM: 3 -0.334575557467E+03 0.12692E-01 -0.83024E-03 5396 0.207E-01 0.216E-01 RMM: 4 -0.334575548306E+03 0.91616E-05 -0.12346E-03 4649 0.809E-02 0.243E-01 RMM: 5 -0.334575280621E+03 0.26768E-03 -0.56727E-04 4600 0.658E-02 0.170E-01 RMM: 6 -0.334575126792E+03 0.15383E-03 -0.24417E-04 3902 0.408E-02 0.915E-02 RMM: 7 -0.334575171564E+03 -0.44772E-04 -0.10822E-04 3806 0.300E-02 0.126E-01 RMM: 8 -0.334575062841E+03 0.10872E-03 -0.52429E-05 3349 0.220E-02 0.266E-02 RMM: 9 -0.334575061626E+03 0.12150E-05 -0.80907E-06 2485 0.818E-03 7468 T= 6316. E= 0.67696819E+03 F= 0.62472037E+03 E0= 0.65371241E+03 EK= 0.52248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335291368989E+03 -0.71631E+00 -0.17137E-01 8616 0.239E+01 0.253E-01 RMM: 2 -0.335302655743E+03 -0.11287E-01 -0.76737E-02 5234 0.669E-01 0.916E-01 RMM: 3 -0.335297124703E+03 0.55310E-02 -0.80801E-03 5582 0.187E-01 0.214E-01 RMM: 4 -0.335296890009E+03 0.23469E-03 -0.84290E-04 4608 0.677E-02 0.177E-01 RMM: 5 -0.335296700843E+03 0.18917E-03 -0.51009E-04 4596 0.643E-02 0.138E-01 RMM: 6 -0.335296710685E+03 -0.98411E-05 -0.28682E-04 3912 0.447E-02 0.146E-01 RMM: 7 -0.335296656774E+03 0.53911E-04 -0.11539E-04 3865 0.327E-02 0.119E-01 RMM: 8 -0.335296560232E+03 0.96542E-04 -0.37161E-05 3123 0.182E-02 0.307E-02 RMM: 9 -0.335296559667E+03 0.56485E-06 -0.13446E-05 2494 0.104E-02 7469 T= 6831. E= 0.68022520E+03 F= 0.62371428E+03 E0= 0.65270153E+03 EK= 0.56511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335807676038E+03 -0.51112E+00 -0.18784E-01 8460 0.248E+01 0.251E-01 RMM: 2 -0.335821973297E+03 -0.14297E-01 -0.85896E-02 5218 0.696E-01 0.107E+00 RMM: 3 -0.335814370607E+03 0.76027E-02 -0.87760E-03 5607 0.193E-01 0.216E-01 RMM: 4 -0.335814107201E+03 0.26341E-03 -0.88818E-04 4633 0.696E-02 0.180E-01 RMM: 5 -0.335813880082E+03 0.22712E-03 -0.49868E-04 4592 0.643E-02 0.118E-01 RMM: 6 -0.335813983573E+03 -0.10349E-03 -0.25786E-04 3891 0.412E-02 0.174E-01 RMM: 7 -0.335813845252E+03 0.13832E-03 -0.12084E-04 3854 0.327E-02 0.106E-01 RMM: 8 -0.335813770846E+03 0.74407E-04 -0.43449E-05 3196 0.192E-02 0.315E-02 RMM: 9 -0.335813773094E+03 -0.22480E-05 -0.15336E-05 2505 0.113E-02 7470 T= 7186. E= 0.68237241E+03 F= 0.62292121E+03 E0= 0.65190276E+03 EK= 0.59451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336036840242E+03 -0.22307E+00 -0.19582E-01 8292 0.251E+01 0.229E-01 RMM: 2 -0.336047962951E+03 -0.11123E-01 -0.88525E-02 5203 0.688E-01 0.763E-01 RMM: 3 -0.336043770096E+03 0.41929E-02 -0.83741E-03 5765 0.180E-01 0.190E-01 RMM: 4 -0.336043631301E+03 0.13879E-03 -0.81581E-04 4628 0.708E-02 0.211E-01 RMM: 5 -0.336043342221E+03 0.28908E-03 -0.48304E-04 4566 0.620E-02 0.116E-01 RMM: 6 -0.336043447471E+03 -0.10525E-03 -0.25737E-04 3888 0.412E-02 0.173E-01 RMM: 7 -0.336043302750E+03 0.14472E-03 -0.11573E-04 3872 0.329E-02 0.981E-02 RMM: 8 -0.336043238132E+03 0.64618E-04 -0.30032E-05 2967 0.162E-02 0.282E-02 RMM: 9 -0.336043240084E+03 -0.19524E-05 -0.16994E-05 2492 0.118E-02 7471 T= 7213. E= 0.68209266E+03 F= 0.62242006E+03 E0= 0.65139534E+03 EK= 0.59673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335963158272E+03 0.80080E-01 -0.19509E-01 8112 0.249E+01 0.260E-01 RMM: 2 -0.335974373108E+03 -0.11215E-01 -0.86517E-02 5155 0.667E-01 0.816E-01 RMM: 3 -0.335969473958E+03 0.48992E-02 -0.79559E-03 5673 0.183E-01 0.193E-01 RMM: 4 -0.335969602210E+03 -0.12825E-03 -0.10960E-03 4708 0.831E-02 0.280E-01 RMM: 5 -0.335969112985E+03 0.48923E-03 -0.51205E-04 4568 0.622E-02 0.127E-01 RMM: 6 -0.335969117450E+03 -0.44650E-05 -0.20820E-04 3888 0.371E-02 0.134E-01 RMM: 7 -0.335969053753E+03 0.63697E-04 -0.94634E-05 3728 0.296E-02 0.986E-02 RMM: 8 -0.335968988851E+03 0.64902E-04 -0.34376E-05 3077 0.178E-02 0.261E-02 RMM: 9 -0.335968992624E+03 -0.37729E-05 -0.13004E-05 2491 0.102E-02 7472 T= 6900. E= 0.67930076E+03 F= 0.62222101E+03 E0= 0.65119028E+03 EK= 0.57080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335642240164E+03 0.32675E+00 -0.18238E-01 8052 0.242E+01 0.297E-01 RMM: 2 -0.335653041343E+03 -0.10801E-01 -0.86309E-02 5107 0.662E-01 0.810E-01 RMM: 3 -0.335648055275E+03 0.49861E-02 -0.80436E-03 5634 0.191E-01 0.213E-01 RMM: 4 -0.335648555142E+03 -0.49987E-03 -0.13898E-03 4793 0.925E-02 0.372E-01 RMM: 5 -0.335647665436E+03 0.88971E-03 -0.59378E-04 4592 0.653E-02 0.116E-01 RMM: 6 -0.335647646606E+03 0.18830E-04 -0.17664E-04 3887 0.347E-02 7473 T= 6401. E= 0.67521617E+03 F= 0.62226265E+03 E0= 0.65122724E+03 EK= 0.52954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335173121360E+03 0.47454E+00 -0.16979E-01 7836 0.233E+01 0.455E-01 RMM: 2 -0.335206462668E+03 -0.33341E-01 -0.95898E-02 5110 0.730E-01 0.201E+00 RMM: 3 -0.335178837335E+03 0.27625E-01 -0.16264E-02 5365 0.307E-01 0.373E-01 RMM: 4 -0.335178649382E+03 0.18795E-03 -0.27953E-03 5282 0.120E-01 0.356E-01 RMM: 5 -0.335178301586E+03 0.34780E-03 -0.79727E-04 4601 0.714E-02 0.298E-01 RMM: 6 -0.335177740255E+03 0.56133E-03 -0.36557E-04 3931 0.510E-02 0.987E-02 RMM: 7 -0.335177795025E+03 -0.54770E-04 -0.16696E-04 3884 0.346E-02 0.136E-01 RMM: 8 -0.335177671285E+03 0.12374E-03 -0.70093E-05 3478 0.253E-02 0.506E-02 RMM: 9 -0.335177659989E+03 0.11296E-04 -0.19344E-05 2575 0.129E-02 7474 T= 5923. E= 0.67144280E+03 F= 0.62244460E+03 E0= 0.65140511E+03 EK= 0.48998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334655065616E+03 0.52261E+00 -0.15861E-01 7848 0.226E+01 0.409E-01 RMM: 2 -0.334685558497E+03 -0.30493E-01 -0.87923E-02 5182 0.683E-01 0.191E+00 RMM: 3 -0.334660095002E+03 0.25463E-01 -0.13348E-02 5372 0.281E-01 0.341E-01 RMM: 4 -0.334659932846E+03 0.16216E-03 -0.26162E-03 5206 0.118E-01 0.331E-01 RMM: 5 -0.334659673316E+03 0.25953E-03 -0.63818E-04 4593 0.663E-02 0.277E-01 RMM: 6 -0.334659146089E+03 0.52723E-03 -0.25558E-04 3891 0.434E-02 0.529E-02 RMM: 7 -0.334659186113E+03 -0.40024E-04 -0.83506E-05 3564 0.245E-02 0.981E-02 RMM: 8 -0.334659123452E+03 0.62661E-04 -0.37387E-05 3063 0.198E-02 0.302E-02 RMM: 9 -0.334659119234E+03 0.42182E-05 -0.81378E-06 2476 0.834E-03 7475 T= 5618. E= 0.66914536E+03 F= 0.62266857E+03 E0= 0.65162675E+03 EK= 0.46477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334161783500E+03 0.49734E+00 -0.15639E-01 8352 0.222E+01 0.383E-01 RMM: 2 -0.334182617963E+03 -0.20834E-01 -0.87731E-02 5146 0.687E-01 0.149E+00 RMM: 3 -0.334167204293E+03 0.15414E-01 -0.11302E-02 5418 0.243E-01 0.280E-01 RMM: 4 -0.334167529493E+03 -0.32520E-03 -0.21609E-03 4958 0.107E-01 0.377E-01 RMM: 5 -0.334166747548E+03 0.78195E-03 -0.62900E-04 4600 0.659E-02 0.188E-01 RMM: 6 -0.334166536186E+03 0.21136E-03 -0.17069E-04 3880 0.340E-02 0.708E-02 RMM: 7 -0.334166585493E+03 -0.49307E-04 -0.89270E-05 3668 0.259E-02 0.117E-01 RMM: 8 -0.334166494111E+03 0.91381E-04 -0.45315E-05 3223 0.210E-02 0.321E-02 RMM: 9 -0.334166492614E+03 0.14973E-05 -0.11717E-05 2496 0.964E-03 7476 T= 5562. E= 0.66887896E+03 F= 0.62286514E+03 E0= 0.65182305E+03 EK= 0.46014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333734895873E+03 0.43160E+00 -0.15856E-01 8376 0.224E+01 0.291E-01 RMM: 2 -0.333744831278E+03 -0.99354E-02 -0.78727E-02 5206 0.624E-01 0.794E-01 RMM: 3 -0.333740097776E+03 0.47335E-02 -0.75481E-03 5587 0.183E-01 0.204E-01 RMM: 4 -0.333740595180E+03 -0.49740E-03 -0.12866E-03 4679 0.876E-02 0.363E-01 RMM: 5 -0.333739772680E+03 0.82250E-03 -0.53679E-04 4548 0.618E-02 0.126E-01 RMM: 6 -0.333739706325E+03 0.66355E-04 -0.14698E-04 3877 0.318E-02 0.852E-02 RMM: 7 -0.333739727286E+03 -0.20961E-04 -0.66733E-05 3506 0.238E-02 0.107E-01 RMM: 8 -0.333739650079E+03 0.77207E-04 -0.32795E-05 3026 0.182E-02 0.274E-02 RMM: 9 -0.333739648990E+03 0.10893E-05 -0.10158E-05 2478 0.907E-03 7477 T= 5770. E= 0.67073561E+03 F= 0.62300100E+03 E0= 0.65196064E+03 EK= 0.47735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333378611083E+03 0.36104E+00 -0.17220E-01 8112 0.229E+01 0.273E-01 RMM: 2 -0.333392527926E+03 -0.13917E-01 -0.99765E-02 5018 0.715E-01 0.934E-01 RMM: 3 -0.333386183997E+03 0.63439E-02 -0.10494E-02 5675 0.206E-01 0.221E-01 RMM: 4 -0.333386147439E+03 0.36558E-04 -0.12233E-03 4702 0.844E-02 0.261E-01 RMM: 5 -0.333385761367E+03 0.38607E-03 -0.51361E-04 4582 0.623E-02 0.142E-01 RMM: 6 -0.333385682480E+03 0.78887E-04 -0.16276E-04 3884 0.334E-02 0.963E-02 RMM: 7 -0.333385695090E+03 -0.12610E-04 -0.91945E-05 3682 0.278E-02 7478 T= 6202. E= 0.67438406E+03 F= 0.62307468E+03 E0= 0.65203818E+03 EK= 0.51309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333078841628E+03 0.30684E+00 -0.18004E-01 8676 0.238E+01 0.272E-01 RMM: 2 -0.333090832843E+03 -0.11991E-01 -0.89661E-02 5304 0.673E-01 0.867E-01 RMM: 3 -0.333085318410E+03 0.55144E-02 -0.83141E-03 5748 0.185E-01 0.210E-01 RMM: 4 -0.333085289450E+03 0.28960E-04 -0.10145E-03 4627 0.776E-02 0.256E-01 RMM: 5 -0.333084895616E+03 0.39383E-03 -0.61896E-04 4606 0.693E-02 0.137E-01 RMM: 6 -0.333084925957E+03 -0.30340E-04 -0.24426E-04 3893 0.406E-02 0.156E-01 RMM: 7 -0.333084834326E+03 0.91631E-04 -0.12795E-04 3875 0.353E-02 0.113E-01 RMM: 8 -0.333084753590E+03 0.80737E-04 -0.42585E-05 3193 0.194E-02 0.346E-02 RMM: 9 -0.333084758698E+03 -0.51080E-05 -0.18287E-05 2536 0.124E-02 7479 T= 6745. E= 0.67890569E+03 F= 0.62310884E+03 E0= 0.65207619E+03 EK= 0.55797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332797730148E+03 0.28702E+00 -0.19583E-01 8532 0.246E+01 0.213E-01 RMM: 2 -0.332811648754E+03 -0.13919E-01 -0.10692E-01 5139 0.734E-01 0.846E-01 RMM: 3 -0.332806323608E+03 0.53251E-02 -0.10363E-02 5815 0.195E-01 0.166E-01 RMM: 4 -0.332806173465E+03 0.15014E-03 -0.74961E-04 4661 0.653E-02 0.186E-01 RMM: 5 -0.332805933916E+03 0.23955E-03 -0.34333E-04 4383 0.529E-02 0.903E-02 RMM: 6 -0.332805987064E+03 -0.53147E-04 -0.17840E-04 3886 0.351E-02 0.128E-01 RMM: 7 -0.332805923952E+03 0.63112E-04 -0.65273E-05 3445 0.248E-02 0.887E-02 RMM: 8 -0.332805870153E+03 0.53799E-04 -0.24663E-05 2767 0.154E-02 0.218E-02 RMM: 9 -0.332805869571E+03 0.58222E-06 -0.78368E-06 2457 0.806E-03 7480 T= 7203. E= 0.68272173E+03 F= 0.62313347E+03 E0= 0.65210184E+03 EK= 0.59588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332525596352E+03 0.28027E+00 -0.20562E-01 8700 0.251E+01 0.245E-01 RMM: 2 -0.332536982206E+03 -0.11386E-01 -0.97565E-02 5363 0.692E-01 0.734E-01 RMM: 3 -0.332532839909E+03 0.41423E-02 -0.83613E-03 5962 0.176E-01 0.186E-01 RMM: 4 -0.332532752266E+03 0.87642E-04 -0.87789E-04 4644 0.735E-02 0.228E-01 RMM: 5 -0.332532415026E+03 0.33724E-03 -0.52960E-04 4599 0.642E-02 0.113E-01 RMM: 6 -0.332532502198E+03 -0.87172E-04 -0.20966E-04 3891 0.379E-02 0.162E-01 RMM: 7 -0.332532381153E+03 0.12104E-03 -0.10925E-04 3862 0.322E-02 0.984E-02 RMM: 8 -0.332532317594E+03 0.63559E-04 -0.36082E-05 3080 0.179E-02 0.328E-02 RMM: 9 -0.332532317939E+03 -0.34488E-06 -0.14455E-05 2501 0.111E-02 7481 T= 7371. E= 0.68413561E+03 F= 0.62316109E+03 E0= 0.65212437E+03 EK= 0.60975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332274449935E+03 0.25787E+00 -0.20923E-01 8424 0.250E+01 0.237E-01 RMM: 2 -0.332287449438E+03 -0.13000E-01 -0.11018E-01 5265 0.718E-01 0.754E-01 RMM: 3 -0.332282856439E+03 0.45930E-02 -0.96970E-03 5898 0.184E-01 0.169E-01 RMM: 4 -0.332282934254E+03 -0.77816E-04 -0.94672E-04 4682 0.769E-02 0.260E-01 RMM: 5 -0.332282487260E+03 0.44699E-03 -0.40840E-04 4406 0.552E-02 0.950E-02 RMM: 6 -0.332282522925E+03 -0.35665E-04 -0.16208E-04 3876 0.334E-02 0.123E-01 RMM: 7 -0.332282462792E+03 0.60134E-04 -0.63579E-05 3486 0.251E-02 0.849E-02 RMM: 8 -0.332282415251E+03 0.47541E-04 -0.21482E-05 2652 0.144E-02 0.254E-02 RMM: 9 -0.332282415910E+03 -0.65930E-06 -0.10312E-05 2469 0.927E-03 7482 T= 7165. E= 0.68244438E+03 F= 0.62316752E+03 E0= 0.65211600E+03 EK= 0.59277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332100020221E+03 0.18240E+00 -0.19342E-01 8688 0.244E+01 0.271E-01 RMM: 2 -0.332110330402E+03 -0.10310E-01 -0.92433E-02 5455 0.653E-01 0.700E-01 RMM: 3 -0.332106331409E+03 0.39990E-02 -0.69633E-03 5854 0.167E-01 0.197E-01 RMM: 4 -0.332106690774E+03 -0.35937E-03 -0.11577E-03 4643 0.845E-02 0.327E-01 RMM: 5 -0.332106017377E+03 0.67340E-03 -0.45200E-04 4262 0.560E-02 0.124E-01 RMM: 6 -0.332105943595E+03 0.73782E-04 -0.11969E-04 3860 0.294E-02 0.753E-02 RMM: 7 -0.332105966394E+03 -0.22799E-04 -0.67167E-05 3505 0.232E-02 0.102E-01 RMM: 8 -0.332105897565E+03 0.68829E-04 -0.33453E-05 3036 0.185E-02 0.254E-02 RMM: 9 -0.332105896823E+03 0.74246E-06 -0.90367E-06 2471 0.848E-03 7483 T= 6697. E= 0.67849919E+03 F= 0.62309743E+03 E0= 0.65201994E+03 EK= 0.55402E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332055077951E+03 0.50820E-01 -0.17653E-01 8280 0.236E+01 0.292E-01 RMM: 2 -0.332065536308E+03 -0.10458E-01 -0.89325E-02 5417 0.645E-01 0.764E-01 RMM: 3 -0.332061083064E+03 0.44532E-02 -0.70254E-03 5634 0.171E-01 0.201E-01 RMM: 4 -0.332061706490E+03 -0.62343E-03 -0.12622E-03 4647 0.872E-02 0.381E-01 RMM: 5 -0.332060757098E+03 0.94939E-03 -0.49202E-04 4309 0.579E-02 0.108E-01 RMM: 6 -0.332060699682E+03 0.57417E-04 -0.10480E-04 3762 0.268E-02 0.677E-02 RMM: 7 -0.332060723723E+03 -0.24041E-04 -0.55069E-05 3340 0.211E-02 0.962E-02 RMM: 8 -0.332060660594E+03 0.63129E-04 -0.31010E-05 2954 0.179E-02 0.249E-02 RMM: 9 -0.332060660454E+03 0.13967E-06 -0.96036E-06 2471 0.870E-03 7484 T= 6178. E= 0.67399538E+03 F= 0.62288945E+03 E0= 0.65177551E+03 EK= 0.51106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332176972085E+03 -0.11631E+00 -0.16172E-01 8004 0.229E+01 0.297E-01 RMM: 2 -0.332186292412E+03 -0.93203E-02 -0.75581E-02 5335 0.613E-01 0.790E-01 RMM: 3 -0.332181841285E+03 0.44511E-02 -0.66994E-03 5649 0.168E-01 0.211E-01 RMM: 4 -0.332182400955E+03 -0.55967E-03 -0.13489E-03 4660 0.909E-02 0.373E-01 RMM: 5 -0.332181531780E+03 0.86918E-03 -0.50604E-04 4315 0.585E-02 0.134E-01 RMM: 6 -0.332181422560E+03 0.10922E-03 -0.10727E-04 3763 0.276E-02 0.557E-02 RMM: 7 -0.332181455305E+03 -0.32745E-04 -0.59588E-05 3381 0.214E-02 0.969E-02 RMM: 8 -0.332181392585E+03 0.62720E-04 -0.31681E-05 2980 0.183E-02 0.250E-02 RMM: 9 -0.332181392215E+03 0.37002E-06 -0.91121E-06 2472 0.841E-03 7485 T= 5790. E= 0.67040457E+03 F= 0.62250859E+03 E0= 0.65134937E+03 EK= 0.47896E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332461497407E+03 -0.28010E+00 -0.15362E-01 8028 0.226E+01 0.286E-01 RMM: 2 -0.332470015803E+03 -0.85184E-02 -0.60444E-02 5366 0.551E-01 0.839E-01 RMM: 3 -0.332465082887E+03 0.49329E-02 -0.52953E-03 5457 0.158E-01 0.196E-01 RMM: 4 -0.332465676464E+03 -0.59358E-03 -0.12387E-03 4627 0.868E-02 0.363E-01 RMM: 5 -0.332464839428E+03 0.83704E-03 -0.45885E-04 4184 0.560E-02 0.125E-01 RMM: 6 -0.332464748735E+03 0.90693E-04 -0.11764E-04 3835 0.290E-02 0.621E-02 RMM: 7 -0.332464779155E+03 -0.30420E-04 -0.55951E-05 3358 0.212E-02 0.976E-02 RMM: 8 -0.332464715097E+03 0.64058E-04 -0.29807E-05 2953 0.179E-02 0.261E-02 RMM: 9 -0.332464713776E+03 0.13215E-05 -0.84800E-06 2467 0.822E-03 7486 T= 5630. E= 0.66853521E+03 F= 0.62196114E+03 E0= 0.65074973E+03 EK= 0.46574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332860320910E+03 -0.39561E+00 -0.15131E-01 8184 0.227E+01 0.262E-01 RMM: 2 -0.332868271767E+03 -0.79509E-02 -0.54031E-02 5348 0.536E-01 0.829E-01 RMM: 3 -0.332863618710E+03 0.46531E-02 -0.49254E-03 5593 0.149E-01 0.174E-01 RMM: 4 -0.332863971044E+03 -0.35233E-03 -0.10345E-03 4626 0.805E-02 0.306E-01 RMM: 5 -0.332863434502E+03 0.53654E-03 -0.42454E-04 4321 0.553E-02 0.143E-01 RMM: 6 -0.332863317479E+03 0.11702E-03 -0.12918E-04 3854 0.302E-02 0.647E-02 RMM: 7 -0.332863338302E+03 -0.20823E-04 -0.59706E-05 3425 0.228E-02 0.925E-02 RMM: 8 -0.332863281005E+03 0.57297E-04 -0.25852E-05 2891 0.166E-02 0.230E-02 RMM: 9 -0.332863281112E+03 -0.10733E-06 -0.75739E-06 2462 0.772E-03 7487 T= 5722. E= 0.66863343E+03 F= 0.62129942E+03 E0= 0.65003033E+03 EK= 0.47334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333280685307E+03 -0.41740E+00 -0.15940E-01 8220 0.233E+01 0.242E-01 RMM: 2 -0.333290289667E+03 -0.96044E-02 -0.65628E-02 5208 0.599E-01 0.855E-01 RMM: 3 -0.333285359439E+03 0.49302E-02 -0.64454E-03 5599 0.164E-01 0.177E-01 RMM: 4 -0.333285410494E+03 -0.51055E-04 -0.87356E-04 4632 0.733E-02 0.232E-01 RMM: 5 -0.333285097042E+03 0.31345E-03 -0.41444E-04 4476 0.563E-02 0.126E-01 RMM: 6 -0.333285047819E+03 0.49223E-04 -0.15579E-04 3875 0.326E-02 0.963E-02 RMM: 7 -0.333285038090E+03 0.97289E-05 -0.67830E-05 3545 0.252E-02 7488 T= 6032. E= 0.67052190E+03 F= 0.62062060E+03 E0= 0.64928954E+03 EK= 0.49901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333594940950E+03 -0.30989E+00 -0.16886E-01 8340 0.241E+01 0.246E-01 RMM: 2 -0.333603728268E+03 -0.87873E-02 -0.68560E-02 5294 0.631E-01 0.769E-01 RMM: 3 -0.333599952794E+03 0.37755E-02 -0.65122E-03 5692 0.162E-01 0.205E-01 RMM: 4 -0.333599812664E+03 0.14013E-03 -0.73975E-04 4615 0.671E-02 0.210E-01 RMM: 5 -0.333599515349E+03 0.29732E-03 -0.54038E-04 4585 0.662E-02 0.106E-01 RMM: 6 -0.333599639062E+03 -0.12371E-03 -0.21378E-04 3887 0.377E-02 0.173E-01 RMM: 7 -0.333599470223E+03 0.16884E-03 -0.11059E-04 3834 0.323E-02 0.850E-02 RMM: 8 -0.333599423087E+03 0.47136E-04 -0.34476E-05 3067 0.175E-02 0.316E-02 RMM: 9 -0.333599428254E+03 -0.51670E-05 -0.15428E-05 2521 0.112E-02 7489 T= 6468. E= 0.67356704E+03 F= 0.62005869E+03 E0= 0.64866309E+03 EK= 0.53508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333652167081E+03 -0.52744E-01 -0.18674E-01 8100 0.249E+01 0.207E-01 RMM: 2 -0.333664345028E+03 -0.12178E-01 -0.96889E-02 5077 0.754E-01 0.799E-01 RMM: 3 -0.333660180583E+03 0.41644E-02 -0.10305E-02 5851 0.191E-01 0.184E-01 RMM: 4 -0.333659862197E+03 0.31839E-03 -0.67034E-04 4629 0.633E-02 0.143E-01 RMM: 5 -0.333659713366E+03 0.14883E-03 -0.27430E-04 4109 0.481E-02 0.925E-02 RMM: 6 -0.333659751099E+03 -0.37733E-04 -0.16688E-04 3876 0.348E-02 0.123E-01 RMM: 7 -0.333659675289E+03 0.75809E-04 -0.63993E-05 3436 0.244E-02 0.718E-02 RMM: 8 -0.333659641215E+03 0.34074E-04 -0.18325E-05 2547 0.134E-02 0.218E-02 RMM: 9 -0.333659640870E+03 0.34553E-06 -0.80178E-06 2452 0.834E-03 7490 T= 6875. E= 0.67663439E+03 F= 0.61976122E+03 E0= 0.64829985E+03 EK= 0.56873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333340915427E+03 0.31873E+00 -0.19259E-01 7932 0.255E+01 0.221E-01 RMM: 2 -0.333350295252E+03 -0.93798E-02 -0.87198E-02 5232 0.698E-01 0.620E-01 RMM: 3 -0.333347798562E+03 0.24967E-02 -0.83445E-03 5938 0.168E-01 0.176E-01 RMM: 4 -0.333347621940E+03 0.17662E-03 -0.64955E-04 4607 0.658E-02 0.200E-01 RMM: 5 -0.333347343929E+03 0.27801E-03 -0.38798E-04 4456 0.556E-02 0.974E-02 RMM: 6 -0.333347496087E+03 -0.15216E-03 -0.21116E-04 3881 0.374E-02 0.181E-01 RMM: 7 -0.333347296701E+03 0.19939E-03 -0.10157E-04 3770 0.303E-02 0.729E-02 RMM: 8 -0.333347263498E+03 0.33204E-04 -0.22612E-05 2690 0.141E-02 0.307E-02 RMM: 9 -0.333347265647E+03 -0.21493E-05 -0.16737E-05 2498 0.117E-02 7491 T= 7078. E= 0.67839654E+03 F= 0.61984465E+03 E0= 0.64832003E+03 EK= 0.58552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332612761587E+03 0.73450E+00 -0.19632E-01 7740 0.254E+01 0.228E-01 RMM: 2 -0.332623132767E+03 -0.10371E-01 -0.80851E-02 5222 0.672E-01 0.783E-01 RMM: 3 -0.332618956017E+03 0.41768E-02 -0.78618E-03 5818 0.172E-01 0.185E-01 RMM: 4 -0.332618801752E+03 0.15427E-03 -0.73387E-04 4610 0.673E-02 0.187E-01 RMM: 5 -0.332618565139E+03 0.23661E-03 -0.30943E-04 4101 0.491E-02 0.997E-02 RMM: 6 -0.332618596196E+03 -0.31057E-04 -0.15665E-04 3882 0.339E-02 0.123E-01 RMM: 7 -0.332618545589E+03 0.50607E-04 -0.64505E-05 3485 0.239E-02 0.947E-02 RMM: 8 -0.332618485427E+03 0.60162E-04 -0.28014E-05 2876 0.166E-02 0.261E-02 RMM: 9 -0.332618485851E+03 -0.42386E-06 -0.10763E-05 2474 0.932E-03 7492 T= 6979. E= 0.67808680E+03 F= 0.62034922E+03 E0= 0.64876628E+03 EK= 0.57738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331517074614E+03 0.11014E+01 -0.19052E-01 7668 0.249E+01 0.246E-01 RMM: 2 -0.331525661074E+03 -0.85865E-02 -0.75641E-02 5221 0.626E-01 0.647E-01 RMM: 3 -0.331522447819E+03 0.32133E-02 -0.63977E-03 5660 0.164E-01 0.192E-01 RMM: 4 -0.331522656491E+03 -0.20867E-03 -0.93727E-04 4648 0.768E-02 0.280E-01 RMM: 5 -0.331522150640E+03 0.50585E-03 -0.35959E-04 4072 0.504E-02 0.113E-01 RMM: 6 -0.331522102794E+03 0.47846E-04 -0.12135E-04 3877 0.303E-02 0.845E-02 RMM: 7 -0.331522116065E+03 -0.13271E-04 -0.68591E-05 3504 0.231E-02 7493 T= 6629. E= 0.67606231E+03 F= 0.62122245E+03 E0= 0.64958984E+03 EK= 0.54840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330164786858E+03 0.13573E+01 -0.18054E-01 7776 0.240E+01 0.290E-01 RMM: 2 -0.330174601977E+03 -0.98151E-02 -0.77730E-02 5105 0.654E-01 0.799E-01 RMM: 3 -0.330170154945E+03 0.44470E-02 -0.78465E-03 5599 0.186E-01 0.228E-01 RMM: 4 -0.330170469940E+03 -0.31499E-03 -0.12638E-03 4753 0.874E-02 0.334E-01 RMM: 5 -0.330169742548E+03 0.72739E-03 -0.44491E-04 4320 0.547E-02 0.115E-01 RMM: 6 -0.330169704686E+03 0.37861E-04 -0.12250E-04 3856 0.297E-02 0.932E-02 RMM: 7 -0.330169705229E+03 -0.54280E-06 -0.73945E-05 3564 0.237E-02 7494 T= 6185. E= 0.67352032E+03 F= 0.62235059E+03 E0= 0.65067673E+03 EK= 0.51170E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328678237189E+03 0.14915E+01 -0.16924E-01 7992 0.231E+01 0.278E-01 RMM: 2 -0.328688145201E+03 -0.99080E-02 -0.77337E-02 5056 0.650E-01 0.782E-01 RMM: 3 -0.328683608730E+03 0.45365E-02 -0.80449E-03 5502 0.196E-01 0.223E-01 RMM: 4 -0.328683895436E+03 -0.28671E-03 -0.12128E-03 4814 0.847E-02 0.313E-01 RMM: 5 -0.328683304564E+03 0.59087E-03 -0.38187E-04 4176 0.514E-02 0.141E-01 RMM: 6 -0.328683178148E+03 0.12642E-03 -0.13347E-04 3879 0.323E-02 0.566E-02 RMM: 7 -0.328683224410E+03 -0.46262E-04 -0.56292E-05 3336 0.205E-02 0.105E-01 RMM: 8 -0.328683151374E+03 0.73036E-04 -0.34379E-05 2916 0.192E-02 0.304E-02 RMM: 9 -0.328683149279E+03 0.20957E-05 -0.11781E-05 2487 0.982E-03 7495 T= 5816. E= 0.67172186E+03 F= 0.62361195E+03 E0= 0.65190732E+03 EK= 0.48110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327147012263E+03 0.15361E+01 -0.16662E-01 8304 0.225E+01 0.265E-01 RMM: 2 -0.327157728622E+03 -0.10716E-01 -0.82387E-02 5125 0.653E-01 0.805E-01 RMM: 3 -0.327152769362E+03 0.49593E-02 -0.79078E-03 5563 0.189E-01 0.153E-01 RMM: 4 -0.327153228485E+03 -0.45912E-03 -0.95592E-04 4689 0.754E-02 0.329E-01 RMM: 5 -0.327152526623E+03 0.70186E-03 -0.32918E-04 4146 0.477E-02 0.824E-02 RMM: 6 -0.327152518247E+03 0.83765E-05 -0.94004E-05 3666 0.263E-02 7496 T= 5631. E= 0.67150269E+03 F= 0.62491914E+03 E0= 0.65319325E+03 EK= 0.46584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325616316355E+03 0.15362E+01 -0.17250E-01 8616 0.223E+01 0.315E-01 RMM: 2 -0.325633563667E+03 -0.17247E-01 -0.87367E-02 5340 0.660E-01 0.123E+00 RMM: 3 -0.325622387039E+03 0.11177E-01 -0.99376E-03 5380 0.229E-01 0.239E-01 RMM: 4 -0.325622418002E+03 -0.30963E-04 -0.14049E-03 4768 0.850E-02 0.266E-01 RMM: 5 -0.325622051167E+03 0.36684E-03 -0.35008E-04 4011 0.472E-02 0.167E-01 RMM: 6 -0.325621889650E+03 0.16152E-03 -0.16531E-04 3884 0.358E-02 0.765E-02 RMM: 7 -0.325621965206E+03 -0.75555E-04 -0.10044E-04 3782 0.267E-02 0.133E-01 RMM: 8 -0.325621845115E+03 0.12009E-03 -0.53881E-05 3337 0.228E-02 0.350E-02 RMM: 9 -0.325621842230E+03 0.28843E-05 -0.14799E-05 2521 0.112E-02 7497 T= 5681. E= 0.67322831E+03 F= 0.62623233E+03 E0= 0.65449347E+03 EK= 0.46996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324094068781E+03 0.15278E+01 -0.18028E-01 8940 0.226E+01 0.283E-01 RMM: 2 -0.324112941192E+03 -0.18872E-01 -0.97243E-02 5336 0.673E-01 0.126E+00 RMM: 3 -0.324101173946E+03 0.11767E-01 -0.94368E-03 5387 0.222E-01 0.266E-01 RMM: 4 -0.324100845515E+03 0.32843E-03 -0.13604E-03 4690 0.828E-02 0.184E-01 RMM: 5 -0.324100746821E+03 0.98694E-04 -0.30003E-04 3961 0.456E-02 0.166E-01 RMM: 6 -0.324100570371E+03 0.17645E-03 -0.13754E-04 3881 0.335E-02 0.542E-02 RMM: 7 -0.324100626537E+03 -0.56166E-04 -0.73919E-05 3527 0.231E-02 0.110E-01 RMM: 8 -0.324100545199E+03 0.81338E-04 -0.40248E-05 3084 0.206E-02 0.258E-02 RMM: 9 -0.324100542367E+03 0.28329E-05 -0.90709E-06 2472 0.861E-03 7498 T= 5962. E= 0.67686869E+03 F= 0.62754633E+03 E0= 0.65580338E+03 EK= 0.49322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322569686070E+03 0.15309E+01 -0.19832E-01 9000 0.231E+01 0.270E-01 RMM: 2 -0.322591764027E+03 -0.22078E-01 -0.11923E-01 5440 0.733E-01 0.134E+00 RMM: 3 -0.322578831599E+03 0.12932E-01 -0.10241E-02 5453 0.220E-01 0.228E-01 RMM: 4 -0.322578561800E+03 0.26980E-03 -0.12158E-03 4673 0.766E-02 0.162E-01 RMM: 5 -0.322578418323E+03 0.14348E-03 -0.27381E-04 3935 0.434E-02 0.119E-01 RMM: 6 -0.322578362392E+03 0.55931E-04 -0.10660E-04 3831 0.285E-02 0.834E-02 RMM: 7 -0.322578391433E+03 -0.29041E-04 -0.89648E-05 3757 0.253E-02 0.111E-01 RMM: 8 -0.322578310195E+03 0.81238E-04 -0.43491E-05 3176 0.207E-02 0.335E-02 RMM: 9 -0.322578306393E+03 0.38018E-05 -0.11677E-05 2493 0.974E-03 7499 T= 6414. E= 0.68193699E+03 F= 0.62887418E+03 E0= 0.65713527E+03 EK= 0.53063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321034608966E+03 0.15437E+01 -0.22607E-01 9012 0.238E+01 0.239E-01 RMM: 2 -0.321054078938E+03 -0.19470E-01 -0.14589E-01 5527 0.789E-01 0.990E-01 RMM: 3 -0.321046159043E+03 0.79199E-02 -0.10698E-02 5709 0.210E-01 0.185E-01 RMM: 4 -0.321045974055E+03 0.18499E-03 -0.93730E-04 4718 0.662E-02 0.167E-01 RMM: 5 -0.321045787196E+03 0.18686E-03 -0.21294E-04 3883 0.384E-02 0.100E-01 RMM: 6 -0.321045774387E+03 0.12809E-04 -0.12117E-04 3874 0.299E-02 7500 T= 6904. E= 0.68733682E+03 F= 0.63022562E+03 E0= 0.65849831E+03 EK= 0.57111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319506889762E+03 0.15389E+01 -0.26143E-01 8904 0.244E+01 0.365E-01 RMM: 2 -0.319549524986E+03 -0.42635E-01 -0.18547E-01 5513 0.888E-01 0.196E+00 RMM: 3 -0.319521281763E+03 0.28243E-01 -0.18433E-02 5385 0.309E-01 0.320E-01 RMM: 4 -0.319520648253E+03 0.63351E-03 -0.21577E-03 4951 0.922E-02 0.170E-01 RMM: 5 -0.319520573087E+03 0.75166E-04 -0.38383E-04 4135 0.500E-02 0.171E-01 RMM: 6 -0.319520402820E+03 0.17027E-03 -0.19579E-04 3886 0.375E-02 0.931E-02 RMM: 7 -0.319520528819E+03 -0.12600E-03 -0.18453E-04 3892 0.356E-02 0.167E-01 RMM: 8 -0.319520345462E+03 0.18336E-03 -0.10271E-04 3734 0.298E-02 0.487E-02 RMM: 9 -0.319520337079E+03 0.83829E-05 -0.20303E-05 2601 0.130E-02 7501 T= 7241. E= 0.69148065E+03 F= 0.63158129E+03 E0= 0.65987256E+03 EK= 0.59899E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318049848351E+03 0.14705E+01 -0.29246E-01 8928 0.245E+01 0.444E-01 RMM: 2 -0.318109919255E+03 -0.60071E-01 -0.21840E-01 5231 0.100E+00 0.247E+00 RMM: 3 -0.318066530117E+03 0.43389E-01 -0.25395E-02 5397 0.370E-01 0.413E-01 RMM: 4 -0.318065288240E+03 0.12419E-02 -0.31479E-03 5263 0.116E-01 0.146E-01 RMM: 5 -0.318065368458E+03 -0.80218E-04 -0.46164E-04 4070 0.497E-02 0.198E-01 RMM: 6 -0.318065095559E+03 0.27290E-03 -0.16647E-04 3879 0.354E-02 0.489E-02 RMM: 7 -0.318065152823E+03 -0.57265E-04 -0.88197E-05 3685 0.240E-02 0.107E-01 RMM: 8 -0.318065076448E+03 0.76375E-04 -0.48568E-05 3208 0.216E-02 0.286E-02 RMM: 9 -0.318065074130E+03 0.23185E-05 -0.11290E-05 2488 0.957E-03 7502 T= 7270. E= 0.69301900E+03 F= 0.63287465E+03 E0= 0.66118851E+03 EK= 0.60144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316762689868E+03 0.13024E+01 -0.30989E-01 8928 0.242E+01 0.286E-01 RMM: 2 -0.316791212600E+03 -0.28523E-01 -0.21052E-01 5557 0.938E-01 0.118E+00 RMM: 3 -0.316779820831E+03 0.11392E-01 -0.15098E-02 5599 0.257E-01 0.246E-01 RMM: 4 -0.316779526299E+03 0.29453E-03 -0.15078E-03 4831 0.856E-02 0.200E-01 RMM: 5 -0.316779322694E+03 0.20361E-03 -0.31345E-04 3932 0.442E-02 0.133E-01 RMM: 6 -0.316779222953E+03 0.99741E-04 -0.10851E-04 3818 0.286E-02 0.680E-02 RMM: 7 -0.316779282886E+03 -0.59933E-04 -0.10464E-04 3879 0.270E-02 0.118E-01 RMM: 8 -0.316779187945E+03 0.94941E-04 -0.54427E-05 3323 0.220E-02 0.317E-02 RMM: 9 -0.316779184192E+03 0.37532E-05 -0.12031E-05 2495 0.996E-03 7503 T= 6983. E= 0.69176888E+03 F= 0.63400267E+03 E0= 0.66234119E+03 EK= 0.57766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315746511737E+03 0.10327E+01 -0.30553E-01 8832 0.234E+01 0.280E-01 RMM: 2 -0.315773085968E+03 -0.26574E-01 -0.21063E-01 5402 0.954E-01 0.106E+00 RMM: 3 -0.315763668260E+03 0.94177E-02 -0.15811E-02 5856 0.250E-01 0.218E-01 RMM: 4 -0.315763457245E+03 0.21101E-03 -0.13571E-03 4821 0.850E-02 0.229E-01 RMM: 5 -0.315763168578E+03 0.28867E-03 -0.29513E-04 3909 0.427E-02 0.128E-01 RMM: 6 -0.315763071305E+03 0.97273E-04 -0.10269E-04 3716 0.284E-02 0.551E-02 RMM: 7 -0.315763120937E+03 -0.49633E-04 -0.69929E-05 3523 0.222E-02 0.106E-01 RMM: 8 -0.315763043448E+03 0.77490E-04 -0.42291E-05 3063 0.200E-02 0.253E-02 RMM: 9 -0.315763042213E+03 0.12348E-05 -0.11940E-05 2483 0.993E-03 7504 T= 6522. E= 0.68881910E+03 F= 0.63486202E+03 E0= 0.66322430E+03 EK= 0.53957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315065690083E+03 0.69735E+00 -0.28284E-01 8892 0.227E+01 0.256E-01 RMM: 2 -0.315087690716E+03 -0.22001E-01 -0.19832E-01 5439 0.937E-01 0.773E-01 RMM: 3 -0.315082149375E+03 0.55413E-02 -0.14666E-02 5941 0.236E-01 0.192E-01 RMM: 4 -0.315082072057E+03 0.77318E-04 -0.11600E-03 4792 0.802E-02 0.243E-01 RMM: 5 -0.315081677608E+03 0.39445E-03 -0.29709E-04 3910 0.430E-02 0.915E-02 RMM: 6 -0.315081638108E+03 0.39499E-04 -0.67966E-05 3429 0.232E-02 0.591E-02 RMM: 7 -0.315081669964E+03 -0.31856E-04 -0.67276E-05 3546 0.218E-02 0.958E-02 RMM: 8 -0.315081609047E+03 0.60917E-04 -0.36827E-05 3009 0.188E-02 0.229E-02 RMM: 9 -0.315081609004E+03 0.43055E-07 -0.10549E-05 2471 0.924E-03 7505 T= 6082. E= 0.68569734E+03 F= 0.63538645E+03 E0= 0.66377003E+03 EK= 0.50311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314732783667E+03 0.34883E+00 -0.24036E-01 8964 0.221E+01 0.249E-01 RMM: 2 -0.314753448397E+03 -0.20665E-01 -0.17620E-01 5434 0.877E-01 0.838E-01 RMM: 3 -0.314747417615E+03 0.60308E-02 -0.14319E-02 6016 0.223E-01 0.188E-01 RMM: 4 -0.314747286600E+03 0.13101E-03 -0.10706E-03 4744 0.772E-02 0.229E-01 RMM: 5 -0.314746953805E+03 0.33279E-03 -0.25063E-04 3898 0.390E-02 0.107E-01 RMM: 6 -0.314746890376E+03 0.63429E-04 -0.80643E-05 3539 0.254E-02 0.543E-02 RMM: 7 -0.314746929726E+03 -0.39350E-04 -0.59801E-05 3383 0.209E-02 0.983E-02 RMM: 8 -0.314746864106E+03 0.65620E-04 -0.37007E-05 2970 0.190E-02 0.230E-02 RMM: 9 -0.314746863345E+03 0.76140E-06 -0.10502E-05 2475 0.919E-03 7506 T= 5803. E= 0.68356690E+03 F= 0.63556457E+03 E0= 0.66396612E+03 EK= 0.48002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314706621520E+03 0.40243E-01 -0.21838E-01 8664 0.220E+01 0.234E-01 RMM: 2 -0.314726357419E+03 -0.19736E-01 -0.16935E-01 5390 0.873E-01 0.800E-01 RMM: 3 -0.314720761004E+03 0.55964E-02 -0.13818E-02 5997 0.219E-01 0.174E-01 RMM: 4 -0.314720578356E+03 0.18265E-03 -0.94748E-04 4762 0.726E-02 0.196E-01 RMM: 5 -0.314720349451E+03 0.22891E-03 -0.21413E-04 3892 0.364E-02 0.106E-01 RMM: 6 -0.314720288686E+03 0.60766E-04 -0.70862E-05 3475 0.240E-02 0.558E-02 RMM: 7 -0.314720326890E+03 -0.38205E-04 -0.58173E-05 3366 0.211E-02 0.979E-02 RMM: 8 -0.314720260604E+03 0.66286E-04 -0.33819E-05 2942 0.186E-02 0.217E-02 RMM: 9 -0.314720260174E+03 0.42982E-06 -0.97600E-06 2469 0.868E-03 7507 T= 5750. E= 0.68300623E+03 F= 0.63543701E+03 E0= 0.66385372E+03 EK= 0.47569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314912805045E+03 -0.19254E+00 -0.19434E-01 8664 0.223E+01 0.217E-01 RMM: 2 -0.314929282497E+03 -0.16477E-01 -0.13872E-01 5348 0.783E-01 0.780E-01 RMM: 3 -0.314924200561E+03 0.50819E-02 -0.11273E-02 6114 0.198E-01 0.169E-01 RMM: 4 -0.314923983178E+03 0.21738E-03 -0.73605E-04 4665 0.636E-02 0.166E-01 RMM: 5 -0.314923811534E+03 0.17164E-03 -0.18253E-04 3889 0.351E-02 0.956E-02 RMM: 6 -0.314923776712E+03 0.34821E-04 -0.84164E-05 3599 0.259E-02 0.685E-02 RMM: 7 -0.314923798580E+03 -0.21867E-04 -0.49853E-05 3196 0.200E-02 0.958E-02 RMM: 8 -0.314923736883E+03 0.61697E-04 -0.30073E-05 2827 0.176E-02 0.246E-02 RMM: 9 -0.314923735624E+03 0.12588E-05 -0.10270E-05 2468 0.896E-03 7508 T= 5925. E= 0.68410364E+03 F= 0.63508444E+03 E0= 0.66351399E+03 EK= 0.49019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315234129353E+03 -0.31039E+00 -0.19688E-01 8232 0.230E+01 0.225E-01 RMM: 2 -0.315252034318E+03 -0.17905E-01 -0.13275E-01 5341 0.792E-01 0.960E-01 RMM: 3 -0.315245099652E+03 0.69347E-02 -0.11510E-02 5968 0.205E-01 0.187E-01 RMM: 4 -0.315244781839E+03 0.31781E-03 -0.77580E-04 4690 0.635E-02 0.134E-01 RMM: 5 -0.315244680975E+03 0.10086E-03 -0.18114E-04 3892 0.360E-02 0.101E-01 RMM: 6 -0.315244639553E+03 0.41423E-04 -0.79075E-05 3567 0.248E-02 0.742E-02 RMM: 7 -0.315244655663E+03 -0.16110E-04 -0.70425E-05 3600 0.234E-02 7509 T= 6273. E= 0.68651270E+03 F= 0.63462156E+03 E0= 0.66306272E+03 EK= 0.51891E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315540742621E+03 -0.29610E+00 -0.20030E-01 7956 0.239E+01 0.204E-01 RMM: 2 -0.315555407308E+03 -0.14665E-01 -0.13085E-01 5410 0.796E-01 0.702E-01 RMM: 3 -0.315551563678E+03 0.38436E-02 -0.10877E-02 6142 0.190E-01 0.159E-01 RMM: 4 -0.315551280147E+03 0.28353E-03 -0.56944E-04 4591 0.546E-02 0.147E-01 RMM: 5 -0.315551112318E+03 0.16783E-03 -0.16235E-04 3889 0.359E-02 0.755E-02 RMM: 6 -0.315551207329E+03 -0.95011E-04 -0.15754E-04 3881 0.331E-02 0.148E-01 RMM: 7 -0.315551070048E+03 0.13728E-03 -0.87959E-05 3692 0.268E-02 0.652E-02 RMM: 8 -0.315551044900E+03 0.25148E-04 -0.23149E-05 2592 0.141E-02 0.324E-02 RMM: 9 -0.315551048518E+03 -0.36180E-05 -0.20243E-05 2537 0.129E-02 7510 T= 6676. E= 0.68941123E+03 F= 0.63418114E+03 E0= 0.66263257E+03 EK= 0.55230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315711446252E+03 -0.16040E+00 -0.21045E-01 7932 0.247E+01 0.250E-01 RMM: 2 -0.315730080229E+03 -0.18634E-01 -0.14483E-01 5243 0.874E-01 0.962E-01 RMM: 3 -0.315723462283E+03 0.66179E-02 -0.14867E-02 5923 0.228E-01 0.212E-01 RMM: 4 -0.315722996075E+03 0.46621E-03 -0.97895E-04 4717 0.725E-02 0.155E-01 RMM: 5 -0.315722862740E+03 0.13334E-03 -0.22230E-04 3901 0.405E-02 0.106E-01 RMM: 6 -0.315722806674E+03 0.56066E-04 -0.83609E-05 3589 0.262E-02 0.661E-02 RMM: 7 -0.315722826291E+03 -0.19617E-04 -0.55103E-05 3291 0.214E-02 7511 T= 6978. E= 0.69160883E+03 F= 0.63388265E+03 E0= 0.66234331E+03 EK= 0.57726E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315691711545E+03 0.31095E-01 -0.21729E-01 8040 0.251E+01 0.218E-01 RMM: 2 -0.315708321311E+03 -0.16610E-01 -0.14255E-01 5268 0.854E-01 0.782E-01 RMM: 3 -0.315703592922E+03 0.47284E-02 -0.13370E-02 6077 0.215E-01 0.179E-01 RMM: 4 -0.315703247497E+03 0.34542E-03 -0.69774E-04 4781 0.611E-02 0.145E-01 RMM: 5 -0.315703082689E+03 0.16481E-03 -0.18001E-04 3899 0.372E-02 0.830E-02 RMM: 6 -0.315703152126E+03 -0.69437E-04 -0.14762E-04 3883 0.317E-02 0.140E-01 RMM: 7 -0.315703059616E+03 0.92511E-04 -0.10326E-04 3859 0.282E-02 0.925E-02 RMM: 8 -0.315703003592E+03 0.56024E-04 -0.36192E-05 2996 0.180E-02 0.328E-02 RMM: 9 -0.315703006206E+03 -0.26142E-05 -0.20359E-05 2542 0.131E-02 7512 T= 7043. E= 0.69204916E+03 F= 0.63378136E+03 E0= 0.66224926E+03 EK= 0.58268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315511070981E+03 0.19193E+00 -0.22672E-01 7920 0.250E+01 0.255E-01 RMM: 2 -0.315530042595E+03 -0.18972E-01 -0.15607E-01 4923 0.934E-01 0.892E-01 RMM: 3 -0.315524141925E+03 0.59007E-02 -0.17776E-02 5925 0.260E-01 0.222E-01 RMM: 4 -0.315523675488E+03 0.46644E-03 -0.10913E-03 4838 0.759E-02 0.161E-01 RMM: 5 -0.315523569277E+03 0.10621E-03 -0.22709E-04 3933 0.398E-02 0.122E-01 RMM: 6 -0.315523474884E+03 0.94393E-04 -0.88227E-05 3607 0.274E-02 0.467E-02 RMM: 7 -0.315523501432E+03 -0.26548E-04 -0.38551E-05 2978 0.183E-02 0.848E-02 RMM: 8 -0.315523453119E+03 0.48313E-04 -0.26868E-05 2595 0.170E-02 0.267E-02 RMM: 9 -0.315523450250E+03 0.28693E-05 -0.95175E-06 2460 0.874E-03 7513 T= 6847. E= 0.69048586E+03 F= 0.63384337E+03 E0= 0.66231578E+03 EK= 0.56642E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315276936608E+03 0.24652E+00 -0.21166E-01 8088 0.244E+01 0.201E-01 RMM: 2 -0.315290674185E+03 -0.13738E-01 -0.12298E-01 5011 0.813E-01 0.655E-01 RMM: 3 -0.315287183635E+03 0.34906E-02 -0.12718E-02 5954 0.219E-01 0.151E-01 RMM: 4 -0.315287077846E+03 0.10579E-03 -0.71773E-04 4715 0.661E-02 0.188E-01 RMM: 5 -0.315286847256E+03 0.23059E-03 -0.18309E-04 3902 0.369E-02 0.848E-02 RMM: 6 -0.315286819903E+03 0.27353E-04 -0.72665E-05 3480 0.243E-02 0.671E-02 RMM: 7 -0.315286837871E+03 -0.17969E-04 -0.67662E-05 3615 0.225E-02 7514 T= 6488. E= 0.68764076E+03 F= 0.63396437E+03 E0= 0.66243771E+03 EK= 0.53676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315100350370E+03 0.18647E+00 -0.19658E-01 7896 0.238E+01 0.210E-01 RMM: 2 -0.315112161274E+03 -0.11811E-01 -0.10401E-01 4890 0.772E-01 0.665E-01 RMM: 3 -0.315108881583E+03 0.32797E-02 -0.11835E-02 5865 0.218E-01 0.152E-01 RMM: 4 -0.315108812172E+03 0.69411E-04 -0.69091E-04 4705 0.624E-02 0.189E-01 RMM: 5 -0.315108567016E+03 0.24516E-03 -0.16500E-04 3897 0.350E-02 0.737E-02 RMM: 6 -0.315108555688E+03 0.11328E-04 -0.62954E-05 3354 0.226E-02 7515 T= 6123. E= 0.68467804E+03 F= 0.63402834E+03 E0= 0.66249647E+03 EK= 0.50650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315062428014E+03 0.46139E-01 -0.19228E-01 7800 0.233E+01 0.327E-01 RMM: 2 -0.315095031712E+03 -0.32604E-01 -0.11653E-01 4803 0.823E-01 0.184E+00 RMM: 3 -0.315071679794E+03 0.23352E-01 -0.16934E-02 5398 0.307E-01 0.289E-01 RMM: 4 -0.315071170370E+03 0.50942E-03 -0.17821E-03 5046 0.859E-02 0.141E-01 RMM: 5 -0.315071146256E+03 0.24113E-04 -0.24821E-04 3930 0.378E-02 0.148E-01 RMM: 6 -0.315071001001E+03 0.14525E-03 -0.90448E-05 3636 0.268E-02 0.541E-02 RMM: 7 -0.315071026565E+03 -0.25563E-04 -0.67895E-05 3447 0.231E-02 0.857E-02 RMM: 8 -0.315070983222E+03 0.43343E-04 -0.39279E-05 2979 0.182E-02 0.478E-02 RMM: 9 -0.315070969109E+03 0.14113E-04 -0.15914E-05 2504 0.120E-02 7516 T= 5877. E= 0.68257428E+03 F= 0.63395340E+03 E0= 0.66241127E+03 EK= 0.48621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315197762037E+03 -0.12678E+00 -0.18672E-01 7776 0.231E+01 0.312E-01 RMM: 2 -0.315229205409E+03 -0.31443E-01 -0.11396E-01 4822 0.791E-01 0.180E+00 RMM: 3 -0.315206590692E+03 0.22615E-01 -0.15397E-02 5398 0.292E-01 0.293E-01 RMM: 4 -0.315206058629E+03 0.53206E-03 -0.17684E-03 5020 0.886E-02 0.139E-01 RMM: 5 -0.315206031143E+03 0.27486E-04 -0.25522E-04 3894 0.387E-02 0.142E-01 RMM: 6 -0.315205894497E+03 0.13665E-03 -0.92078E-05 3673 0.276E-02 0.478E-02 RMM: 7 -0.315205913358E+03 -0.18861E-04 -0.42510E-05 3066 0.184E-02 7517 T= 5821. E= 0.68186119E+03 F= 0.63370908E+03 E0= 0.66214998E+03 EK= 0.48152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315491136835E+03 -0.28524E+00 -0.19415E-01 8412 0.232E+01 0.250E-01 RMM: 2 -0.315513035528E+03 -0.21899E-01 -0.11216E-01 5053 0.757E-01 0.131E+00 RMM: 3 -0.315500299009E+03 0.12737E-01 -0.12447E-02 5446 0.244E-01 0.218E-01 RMM: 4 -0.315499989417E+03 0.30959E-03 -0.11664E-03 4786 0.708E-02 0.122E-01 RMM: 5 -0.315499924851E+03 0.64566E-04 -0.16452E-04 3896 0.331E-02 0.108E-01 RMM: 6 -0.315499861574E+03 0.63278E-04 -0.62029E-05 3386 0.224E-02 0.649E-02 RMM: 7 -0.315499909594E+03 -0.48020E-04 -0.97396E-05 3782 0.256E-02 0.114E-01 RMM: 8 -0.315499827582E+03 0.82012E-04 -0.51952E-05 3264 0.215E-02 0.384E-02 RMM: 9 -0.315499820737E+03 0.68449E-05 -0.14053E-05 2500 0.108E-02 7518 T= 5963. E= 0.68264153E+03 F= 0.63331059E+03 E0= 0.66172834E+03 EK= 0.49331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315892935318E+03 -0.39311E+00 -0.21187E-01 8496 0.237E+01 0.203E-01 RMM: 2 -0.315909815610E+03 -0.16880E-01 -0.13952E-01 4911 0.840E-01 0.820E-01 RMM: 3 -0.315904685917E+03 0.51297E-02 -0.14370E-02 5821 0.236E-01 0.169E-01 RMM: 4 -0.315904428866E+03 0.25705E-03 -0.86222E-04 4800 0.657E-02 0.151E-01 RMM: 5 -0.315904271655E+03 0.15721E-03 -0.15829E-04 3884 0.341E-02 0.798E-02 RMM: 6 -0.315904243925E+03 0.27730E-04 -0.54317E-05 3233 0.211E-02 0.624E-02 RMM: 7 -0.315904250876E+03 -0.69516E-05 -0.49678E-05 3094 0.205E-02 7519 T= 6263. E= 0.68461820E+03 F= 0.63280764E+03 E0= 0.66119566E+03 EK= 0.51811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316330383924E+03 -0.42614E+00 -0.22311E-01 9036 0.243E+01 0.189E-01 RMM: 2 -0.316347351273E+03 -0.16967E-01 -0.14328E-01 5104 0.831E-01 0.773E-01 RMM: 3 -0.316342537462E+03 0.48138E-02 -0.13863E-02 6009 0.220E-01 0.174E-01 RMM: 4 -0.316342168880E+03 0.36858E-03 -0.69628E-04 4829 0.580E-02 0.115E-01 RMM: 5 -0.316342078077E+03 0.90803E-04 -0.11056E-04 3851 0.291E-02 0.851E-02 RMM: 6 -0.316342095861E+03 -0.17784E-04 -0.70950E-05 3488 0.226E-02 7520 T= 6624. E= 0.68707361E+03 F= 0.63227780E+03 E0= 0.66063026E+03 EK= 0.54796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316705950430E+03 -0.36387E+00 -0.24513E-01 8664 0.249E+01 0.280E-01 RMM: 2 -0.316738916844E+03 -0.32966E-01 -0.17902E-01 5086 0.918E-01 0.158E+00 RMM: 3 -0.316720665354E+03 0.18251E-01 -0.18428E-02 5474 0.294E-01 0.279E-01 RMM: 4 -0.316720112174E+03 0.55318E-03 -0.17410E-03 5063 0.823E-02 0.120E-01 RMM: 5 -0.316720029519E+03 0.82655E-04 -0.19631E-04 4014 0.341E-02 0.979E-02 RMM: 6 -0.316719986690E+03 0.42829E-04 -0.55225E-05 3245 0.210E-02 0.763E-02 RMM: 7 -0.316720033987E+03 -0.47297E-04 -0.10278E-04 3866 0.269E-02 0.121E-01 RMM: 8 -0.316719932062E+03 0.10193E-03 -0.70277E-05 3474 0.223E-02 0.414E-02 RMM: 9 -0.316719927668E+03 0.43940E-05 -0.21819E-05 2578 0.133E-02 7521 T= 6908. E= 0.68896163E+03 F= 0.63181406E+03 E0= 0.66012875E+03 EK= 0.57148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316939174752E+03 -0.21924E+00 -0.25683E-01 9036 0.252E+01 0.376E-01 RMM: 2 -0.316982182843E+03 -0.43008E-01 -0.18208E-01 5048 0.954E-01 0.201E+00 RMM: 3 -0.316953490039E+03 0.28693E-01 -0.21394E-02 5454 0.331E-01 0.367E-01 RMM: 4 -0.316952497590E+03 0.99245E-03 -0.24327E-03 5129 0.105E-01 0.136E-01 RMM: 5 -0.316952493974E+03 0.36157E-05 -0.35153E-04 3910 0.440E-02 0.154E-01 RMM: 6 -0.316952332348E+03 0.16163E-03 -0.10676E-04 3833 0.289E-02 0.467E-02 RMM: 7 -0.316952352215E+03 -0.19866E-04 -0.48180E-05 3165 0.191E-02 7522 T= 6989. E= 0.68932042E+03 F= 0.63150078E+03 E0= 0.65977603E+03 EK= 0.57820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316977352253E+03 -0.25020E-01 -0.26930E-01 9024 0.250E+01 0.212E-01 RMM: 2 -0.316999178096E+03 -0.21826E-01 -0.16631E-01 5414 0.855E-01 0.969E-01 RMM: 3 -0.316991090771E+03 0.80873E-02 -0.12264E-02 5623 0.228E-01 0.190E-01 RMM: 4 -0.316990817622E+03 0.27315E-03 -0.92906E-04 4797 0.650E-02 0.122E-01 RMM: 5 -0.316990718621E+03 0.99001E-04 -0.14836E-04 3909 0.306E-02 0.885E-02 RMM: 6 -0.316990699673E+03 0.18948E-04 -0.58360E-05 3332 0.210E-02 7523 T= 6827. E= 0.68785989E+03 F= 0.63138536E+03 E0= 0.65962375E+03 EK= 0.56475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316827314098E+03 0.16340E+00 -0.26854E-01 8880 0.245E+01 0.337E-01 RMM: 2 -0.316863946102E+03 -0.36632E-01 -0.17131E-01 5337 0.879E-01 0.177E+00 RMM: 3 -0.316840830060E+03 0.23116E-01 -0.17600E-02 5389 0.308E-01 0.310E-01 RMM: 4 -0.316840204952E+03 0.62511E-03 -0.19639E-03 5022 0.871E-02 0.122E-01 RMM: 5 -0.316840163176E+03 0.41775E-04 -0.23639E-04 3914 0.366E-02 0.126E-01 RMM: 6 -0.316840064701E+03 0.98476E-04 -0.79731E-05 3525 0.255E-02 0.522E-02 RMM: 7 -0.316840088955E+03 -0.24255E-04 -0.41402E-05 3029 0.184E-02 0.844E-02 RMM: 8 -0.316840050061E+03 0.38895E-04 -0.48531E-05 3030 0.195E-02 0.527E-02 RMM: 9 -0.316840032479E+03 0.17582E-04 -0.20011E-05 2531 0.135E-02 7524 T= 6493. E= 0.68517836E+03 F= 0.63146178E+03 E0= 0.65966833E+03 EK= 0.53717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316542145087E+03 0.29790E+00 -0.25608E-01 8976 0.238E+01 0.383E-01 RMM: 2 -0.316581318434E+03 -0.39173E-01 -0.17350E-01 5143 0.926E-01 0.190E+00 RMM: 3 -0.316555711584E+03 0.25607E-01 -0.19812E-02 5402 0.324E-01 0.384E-01 RMM: 4 -0.316554647996E+03 0.10636E-02 -0.23475E-03 5059 0.102E-01 0.127E-01 RMM: 5 -0.316554671604E+03 -0.23608E-04 -0.32749E-04 3917 0.424E-02 0.152E-01 RMM: 6 -0.316554511282E+03 0.16032E-03 -0.96017E-05 3693 0.274E-02 0.403E-02 RMM: 7 -0.316554523307E+03 -0.12025E-04 -0.30569E-05 2731 0.157E-02 7525 T= 6127. E= 0.68236140E+03 F= 0.63167555E+03 E0= 0.65985546E+03 EK= 0.50686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316201842878E+03 0.35267E+00 -0.23369E-01 8964 0.232E+01 0.221E-01 RMM: 2 -0.316221385959E+03 -0.19543E-01 -0.15330E-01 5443 0.828E-01 0.906E-01 RMM: 3 -0.316214500742E+03 0.68852E-02 -0.12205E-02 5581 0.226E-01 0.159E-01 RMM: 4 -0.316214420225E+03 0.80517E-04 -0.96051E-04 4756 0.665E-02 0.179E-01 RMM: 5 -0.316214220938E+03 0.19929E-03 -0.16837E-04 3901 0.319E-02 0.911E-02 RMM: 6 -0.316214174981E+03 0.45957E-04 -0.59492E-05 3334 0.221E-02 0.518E-02 RMM: 7 -0.316214210197E+03 -0.35216E-04 -0.63709E-05 3511 0.217E-02 0.932E-02 RMM: 8 -0.316214152381E+03 0.57816E-04 -0.38423E-05 2913 0.181E-02 0.257E-02 RMM: 9 -0.316214151701E+03 0.68059E-06 -0.13231E-05 2475 0.107E-02 7526 T= 5857. E= 0.68039854E+03 F= 0.63194711E+03 E0= 0.66010631E+03 EK= 0.48451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315887780497E+03 0.32637E+00 -0.22034E-01 8724 0.228E+01 0.216E-01 RMM: 2 -0.315907372560E+03 -0.19592E-01 -0.16196E-01 5217 0.872E-01 0.848E-01 RMM: 3 -0.315901468134E+03 0.59044E-02 -0.14309E-02 5896 0.225E-01 0.160E-01 RMM: 4 -0.315901227799E+03 0.24034E-03 -0.90663E-04 4733 0.703E-02 0.171E-01 RMM: 5 -0.315901045753E+03 0.18205E-03 -0.17443E-04 3895 0.341E-02 0.844E-02 RMM: 6 -0.315901001106E+03 0.44647E-04 -0.40957E-05 3059 0.192E-02 0.403E-02 RMM: 7 -0.315901014410E+03 -0.13304E-04 -0.39042E-05 2884 0.179E-02 7527 T= 5765. E= 0.67988459E+03 F= 0.63219529E+03 E0= 0.66034049E+03 EK= 0.47689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315676261610E+03 0.22474E+00 -0.20199E-01 8796 0.228E+01 0.177E-01 RMM: 2 -0.315691826601E+03 -0.15565E-01 -0.14395E-01 5291 0.819E-01 0.599E-01 RMM: 3 -0.315688457818E+03 0.33688E-02 -0.12472E-02 6033 0.208E-01 0.135E-01 RMM: 4 -0.315688256467E+03 0.20135E-03 -0.62855E-04 4642 0.567E-02 0.142E-01 RMM: 5 -0.315688112532E+03 0.14394E-03 -0.11035E-04 3736 0.278E-02 0.625E-02 RMM: 6 -0.315688112634E+03 -0.10213E-06 -0.42191E-05 3069 0.186E-02 7528 T= 5881. E= 0.68100086E+03 F= 0.63234818E+03 E0= 0.66048573E+03 EK= 0.48653E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315626545500E+03 0.61567E-01 -0.19908E-01 8748 0.231E+01 0.271E-01 RMM: 2 -0.315653902511E+03 -0.27357E-01 -0.14312E-01 5201 0.825E-01 0.145E+00 RMM: 3 -0.315638238895E+03 0.15664E-01 -0.15104E-02 5462 0.268E-01 0.240E-01 RMM: 4 -0.315637836291E+03 0.40260E-03 -0.14213E-03 4791 0.771E-02 0.114E-01 RMM: 5 -0.315637772680E+03 0.63611E-04 -0.17889E-04 4077 0.311E-02 0.949E-02 RMM: 6 -0.315637721752E+03 0.50927E-04 -0.42212E-05 3045 0.192E-02 0.537E-02 RMM: 7 -0.315637753557E+03 -0.31805E-04 -0.58992E-05 3378 0.212E-02 0.933E-02 RMM: 8 -0.315637698711E+03 0.54846E-04 -0.47136E-05 3066 0.195E-02 0.386E-02 RMM: 9 -0.315637690904E+03 0.78068E-05 -0.15712E-05 2493 0.115E-02 7529 T= 6187. E= 0.68353153E+03 F= 0.63234433E+03 E0= 0.66048022E+03 EK= 0.51187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315788125715E+03 -0.15043E+00 -0.20424E-01 8796 0.237E+01 0.296E-01 RMM: 2 -0.315818339954E+03 -0.30214E-01 -0.15729E-01 5080 0.893E-01 0.155E+00 RMM: 3 -0.315801131076E+03 0.17209E-01 -0.17840E-02 5506 0.288E-01 0.286E-01 RMM: 4 -0.315800492327E+03 0.63875E-03 -0.17433E-03 4881 0.886E-02 0.115E-01 RMM: 5 -0.315800448129E+03 0.44198E-04 -0.22883E-04 3965 0.350E-02 0.105E-01 RMM: 6 -0.315800375610E+03 0.72519E-04 -0.48397E-05 3143 0.204E-02 0.451E-02 RMM: 7 -0.315800387810E+03 -0.12200E-04 -0.35911E-05 2860 0.174E-02 7530 T= 6608. E= 0.68679554E+03 F= 0.63213332E+03 E0= 0.66027409E+03 EK= 0.54662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316196236253E+03 -0.39586E+00 -0.20328E-01 8544 0.243E+01 0.219E-01 RMM: 2 -0.316219438690E+03 -0.23202E-01 -0.15826E-01 5165 0.882E-01 0.112E+00 RMM: 3 -0.316209873931E+03 0.95648E-02 -0.16342E-02 5649 0.257E-01 0.193E-01 RMM: 4 -0.316209522239E+03 0.35169E-03 -0.10868E-03 4981 0.674E-02 0.109E-01 RMM: 5 -0.316209455009E+03 0.67231E-04 -0.13611E-04 3939 0.299E-02 0.891E-02 RMM: 6 -0.316209424299E+03 0.30710E-04 -0.41045E-05 2989 0.184E-02 0.709E-02 RMM: 7 -0.316209434136E+03 -0.98375E-05 -0.10022E-04 3903 0.245E-02 7531 T= 7003. E= 0.68961571E+03 F= 0.63168154E+03 E0= 0.65983395E+03 EK= 0.57934E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316849746036E+03 -0.64032E+00 -0.20697E-01 8484 0.248E+01 0.207E-01 RMM: 2 -0.316869915531E+03 -0.20169E-01 -0.16826E-01 5042 0.913E-01 0.841E-01 RMM: 3 -0.316864047702E+03 0.58678E-02 -0.16831E-02 5835 0.253E-01 0.160E-01 RMM: 4 -0.316863785759E+03 0.26194E-03 -0.96261E-04 4881 0.679E-02 0.151E-01 RMM: 5 -0.316863640481E+03 0.14528E-03 -0.16298E-04 3885 0.348E-02 0.753E-02 RMM: 6 -0.316863611203E+03 0.29277E-04 -0.44397E-05 3077 0.192E-02 0.538E-02 RMM: 7 -0.316863614031E+03 -0.28277E-05 -0.41772E-05 2791 0.195E-02 7532 T= 7211. E= 0.69063999E+03 F= 0.63098945E+03 E0= 0.65915895E+03 EK= 0.59651E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317701106019E+03 -0.83749E+00 -0.21818E-01 8364 0.249E+01 0.179E-01 RMM: 2 -0.317723085621E+03 -0.21980E-01 -0.19782E-01 4942 0.100E+00 0.706E-01 RMM: 3 -0.317718556173E+03 0.45294E-02 -0.20267E-02 6133 0.261E-01 0.158E-01 RMM: 4 -0.317718107465E+03 0.44871E-03 -0.82712E-04 4837 0.678E-02 0.120E-01 RMM: 5 -0.317718003106E+03 0.10436E-03 -0.13413E-04 3896 0.329E-02 0.693E-02 RMM: 6 -0.317717989871E+03 0.13235E-04 -0.47515E-05 3132 0.195E-02 7533 T= 7130. E= 0.68908356E+03 F= 0.63010110E+03 E0= 0.65829401E+03 EK= 0.58982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318683245983E+03 -0.96524E+00 -0.21959E-01 8316 0.246E+01 0.219E-01 RMM: 2 -0.318708670530E+03 -0.25425E-01 -0.19628E-01 5022 0.984E-01 0.102E+00 RMM: 3 -0.318700129459E+03 0.85411E-02 -0.19386E-02 5745 0.277E-01 0.201E-01 RMM: 4 -0.318699690665E+03 0.43879E-03 -0.11433E-03 4976 0.731E-02 0.112E-01 RMM: 5 -0.318699603724E+03 0.86942E-04 -0.15977E-04 4066 0.321E-02 0.715E-02 RMM: 6 -0.318699584206E+03 0.19518E-04 -0.44881E-05 3071 0.193E-02 7534 T= 6796. E= 0.68530856E+03 F= 0.62908880E+03 E0= 0.65730999E+03 EK= 0.56220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319728599887E+03 -0.10290E+01 -0.21557E-01 8124 0.239E+01 0.381E-01 RMM: 2 -0.319781316545E+03 -0.52717E-01 -0.21191E-01 4878 0.105E+00 0.221E+00 RMM: 3 -0.319745777338E+03 0.35539E-01 -0.25468E-02 5445 0.362E-01 0.355E-01 RMM: 4 -0.319744813109E+03 0.96423E-03 -0.27452E-03 5357 0.107E-01 0.109E-01 RMM: 5 -0.319744804740E+03 0.83695E-05 -0.32977E-04 4389 0.340E-02 0.131E-01 RMM: 6 -0.319744695991E+03 0.10875E-03 -0.62875E-05 3381 0.224E-02 0.576E-02 RMM: 7 -0.319744724958E+03 -0.28967E-04 -0.58924E-05 3369 0.206E-02 0.928E-02 RMM: 8 -0.319744669833E+03 0.55125E-04 -0.75140E-05 3826 0.209E-02 0.387E-02 RMM: 9 -0.319744663005E+03 0.68281E-05 -0.15783E-05 2531 0.115E-02 7535 T= 6354. E= 0.68057744E+03 F= 0.62801597E+03 E0= 0.65627008E+03 EK= 0.52561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320807879254E+03 -0.10632E+01 -0.19180E-01 8784 0.233E+01 0.293E-01 RMM: 2 -0.320839375524E+03 -0.31496E-01 -0.16042E-01 5119 0.872E-01 0.158E+00 RMM: 3 -0.320820742621E+03 0.18633E-01 -0.15893E-02 5440 0.282E-01 0.283E-01 RMM: 4 -0.320820247925E+03 0.49470E-03 -0.18710E-03 5001 0.920E-02 0.139E-01 RMM: 5 -0.320820181818E+03 0.66107E-04 -0.24615E-04 4005 0.356E-02 0.124E-01 RMM: 6 -0.320820077145E+03 0.10467E-03 -0.58557E-05 3326 0.224E-02 0.380E-02 RMM: 7 -0.320820085288E+03 -0.81428E-05 -0.26818E-05 2610 0.154E-02 7536 T= 5965. E= 0.67626188E+03 F= 0.62691586E+03 E0= 0.65520612E+03 EK= 0.49346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321908271087E+03 -0.10882E+01 -0.18076E-01 8892 0.227E+01 0.223E-01 RMM: 2 -0.321928725532E+03 -0.20454E-01 -0.14304E-01 5248 0.820E-01 0.105E+00 RMM: 3 -0.321920106121E+03 0.86194E-02 -0.12913E-02 5753 0.230E-01 0.207E-01 RMM: 4 -0.321919726966E+03 0.37916E-03 -0.95109E-04 4738 0.668E-02 0.108E-01 RMM: 5 -0.321919662008E+03 0.64958E-04 -0.13331E-04 3987 0.276E-02 0.879E-02 RMM: 6 -0.321919624930E+03 0.37078E-04 -0.34467E-05 2894 0.175E-02 0.574E-02 RMM: 7 -0.321919656349E+03 -0.31419E-04 -0.88217E-05 3804 0.243E-02 0.973E-02 RMM: 8 -0.321919592781E+03 0.63568E-04 -0.54442E-05 3281 0.207E-02 0.229E-02 RMM: 9 -0.321919593479E+03 -0.69733E-06 -0.11491E-05 2474 0.100E-02 7537 T= 5741. E= 0.67328774E+03 F= 0.62579514E+03 E0= 0.65412602E+03 EK= 0.47493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323030929232E+03 -0.11113E+01 -0.18251E-01 8712 0.226E+01 0.196E-01 RMM: 2 -0.323048331416E+03 -0.17402E-01 -0.14670E-01 5069 0.833E-01 0.780E-01 RMM: 3 -0.323043277775E+03 0.50536E-02 -0.14169E-02 6043 0.222E-01 0.134E-01 RMM: 4 -0.323043069828E+03 0.20795E-03 -0.75866E-04 4747 0.634E-02 0.165E-01 RMM: 5 -0.323042887421E+03 0.18241E-03 -0.14540E-04 3874 0.314E-02 0.675E-02 RMM: 6 -0.323042864067E+03 0.23354E-04 -0.34728E-05 2954 0.177E-02 0.422E-02 RMM: 7 -0.323042870888E+03 -0.68204E-05 -0.30796E-05 2615 0.159E-02 7538 T= 5730. E= 0.67205452E+03 F= 0.62465457E+03 E0= 0.65302982E+03 EK= 0.47400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324160706733E+03 -0.11178E+01 -0.18592E-01 8736 0.228E+01 0.159E-01 RMM: 2 -0.324175951608E+03 -0.15245E-01 -0.14168E-01 5235 0.808E-01 0.559E-01 RMM: 3 -0.324172802677E+03 0.31489E-02 -0.12717E-02 6182 0.203E-01 0.135E-01 RMM: 4 -0.324172532564E+03 0.27011E-03 -0.57843E-04 4486 0.559E-02 0.122E-01 RMM: 5 -0.324172421717E+03 0.11085E-03 -0.98167E-05 3690 0.278E-02 0.606E-02 RMM: 6 -0.324172425298E+03 -0.35816E-05 -0.36608E-05 2934 0.174E-02 7539 T= 5927. E= 0.67254326E+03 F= 0.62351198E+03 E0= 0.65193595E+03 EK= 0.49031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325251319072E+03 -0.10789E+01 -0.19675E-01 8676 0.234E+01 0.233E-01 RMM: 2 -0.325273650408E+03 -0.22331E-01 -0.15324E-01 5095 0.843E-01 0.110E+00 RMM: 3 -0.325264001110E+03 0.96493E-02 -0.14833E-02 5591 0.252E-01 0.203E-01 RMM: 4 -0.325263686179E+03 0.31493E-03 -0.11713E-03 4964 0.695E-02 0.123E-01 RMM: 5 -0.325263578639E+03 0.10754E-03 -0.14965E-04 3900 0.309E-02 0.771E-02 RMM: 6 -0.325263548391E+03 0.30249E-04 -0.37858E-05 2964 0.181E-02 0.521E-02 RMM: 7 -0.325263564337E+03 -0.15946E-04 -0.47106E-05 3167 0.196E-02 7540 T= 6278. E= 0.67434399E+03 F= 0.62241209E+03 E0= 0.65088868E+03 EK= 0.51932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326233351263E+03 -0.96980E+00 -0.19916E-01 8832 0.241E+01 0.267E-01 RMM: 2 -0.326257804494E+03 -0.24453E-01 -0.14704E-01 5189 0.841E-01 0.131E+00 RMM: 3 -0.326245302607E+03 0.12502E-01 -0.14451E-02 5563 0.255E-01 0.279E-01 RMM: 4 -0.326244690570E+03 0.61204E-03 -0.13802E-03 4791 0.792E-02 0.117E-01 RMM: 5 -0.326244635063E+03 0.55507E-04 -0.20951E-04 3883 0.375E-02 0.103E-01 RMM: 6 -0.326244566232E+03 0.68831E-04 -0.54317E-05 3291 0.213E-02 0.448E-02 RMM: 7 -0.326244574491E+03 -0.82584E-05 -0.31855E-05 2662 0.163E-02 7541 T= 6671. E= 0.67661416E+03 F= 0.62142645E+03 E0= 0.64995916E+03 EK= 0.55188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327021293671E+03 -0.77673E+00 -0.21150E-01 8760 0.248E+01 0.208E-01 RMM: 2 -0.327041193688E+03 -0.19900E-01 -0.15492E-01 5326 0.842E-01 0.925E-01 RMM: 3 -0.327034046367E+03 0.71473E-02 -0.13055E-02 5753 0.226E-01 0.180E-01 RMM: 4 -0.327033748324E+03 0.29804E-03 -0.87690E-04 4807 0.635E-02 0.128E-01 RMM: 5 -0.327033635489E+03 0.11283E-03 -0.14396E-04 3871 0.315E-02 0.814E-02 RMM: 6 -0.327033600961E+03 0.34528E-04 -0.49331E-05 3198 0.202E-02 0.540E-02 RMM: 7 -0.327033612752E+03 -0.11791E-04 -0.48400E-05 3112 0.189E-02 7542 T= 6958. E= 0.67819646E+03 F= 0.62063668E+03 E0= 0.64922812E+03 EK= 0.57560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327560524464E+03 -0.52692E+00 -0.21502E-01 8688 0.251E+01 0.204E-01 RMM: 2 -0.327579342507E+03 -0.18818E-01 -0.15531E-01 5169 0.850E-01 0.833E-01 RMM: 3 -0.327573390092E+03 0.59524E-02 -0.13830E-02 5952 0.228E-01 0.192E-01 RMM: 4 -0.327573038427E+03 0.35166E-03 -0.84088E-04 4763 0.654E-02 0.136E-01 RMM: 5 -0.327572919271E+03 0.11916E-03 -0.15364E-04 3874 0.331E-02 0.779E-02 RMM: 6 -0.327572885743E+03 0.33528E-04 -0.45428E-05 3144 0.195E-02 0.505E-02 RMM: 7 -0.327572888208E+03 -0.24655E-05 -0.43866E-05 2986 0.193E-02 7543 T= 7012. E= 0.67810923E+03 F= 0.62010040E+03 E0= 0.64874997E+03 EK= 0.58009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327846228331E+03 -0.27334E+00 -0.22334E-01 8568 0.250E+01 0.183E-01 RMM: 2 -0.327865372019E+03 -0.19144E-01 -0.16164E-01 5181 0.868E-01 0.785E-01 RMM: 3 -0.327859827474E+03 0.55445E-02 -0.14117E-02 5894 0.229E-01 0.161E-01 RMM: 4 -0.327859535798E+03 0.29168E-03 -0.76094E-04 4781 0.620E-02 0.125E-01 RMM: 5 -0.327859427455E+03 0.10834E-03 -0.12073E-04 3777 0.290E-02 0.762E-02 RMM: 6 -0.327859401460E+03 0.25995E-04 -0.41907E-05 3056 0.189E-02 0.557E-02 RMM: 7 -0.327859416082E+03 -0.14622E-04 -0.57981E-05 3398 0.203E-02 7544 T= 6811. E= 0.67616782E+03 F= 0.61982067E+03 E0= 0.64852626E+03 EK= 0.56347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327941428908E+03 -0.82027E-01 -0.20168E-01 8724 0.245E+01 0.204E-01 RMM: 2 -0.327959092255E+03 -0.17663E-01 -0.13901E-01 5233 0.797E-01 0.872E-01 RMM: 3 -0.327952735014E+03 0.63572E-02 -0.12082E-02 5834 0.219E-01 0.187E-01 RMM: 4 -0.327952433995E+03 0.30102E-03 -0.77706E-04 4811 0.608E-02 0.118E-01 RMM: 5 -0.327952350501E+03 0.83494E-04 -0.11839E-04 3787 0.284E-02 0.822E-02 RMM: 6 -0.327952312742E+03 0.37759E-04 -0.43027E-05 3100 0.193E-02 0.505E-02 RMM: 7 -0.327952321963E+03 -0.92206E-05 -0.68450E-05 3582 0.223E-02 7545 T= 6452. E= 0.67311247E+03 F= 0.61973856E+03 E0= 0.64849768E+03 EK= 0.53374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327938277001E+03 0.14036E-01 -0.18605E-01 8640 0.238E+01 0.172E-01 RMM: 2 -0.327951931508E+03 -0.13655E-01 -0.11691E-01 5367 0.727E-01 0.678E-01 RMM: 3 -0.327947700640E+03 0.42309E-02 -0.89536E-03 5994 0.184E-01 0.156E-01 RMM: 4 -0.327947508877E+03 0.19176E-03 -0.59061E-04 4641 0.559E-02 0.129E-01 RMM: 5 -0.327947401496E+03 0.10738E-03 -0.11184E-04 3740 0.278E-02 0.786E-02 RMM: 6 -0.327947372294E+03 0.29202E-04 -0.33817E-05 2949 0.177E-02 0.544E-02 RMM: 7 -0.327947389371E+03 -0.17077E-04 -0.56573E-05 3345 0.202E-02 7546 T= 6084. E= 0.67009328E+03 F= 0.61975862E+03 E0= 0.64856787E+03 EK= 0.50335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327931672161E+03 0.15700E-01 -0.17448E-01 8412 0.232E+01 0.202E-01 RMM: 2 -0.327945530290E+03 -0.13858E-01 -0.10670E-01 5219 0.720E-01 0.828E-01 RMM: 3 -0.327940255159E+03 0.52751E-02 -0.98026E-03 5863 0.197E-01 0.175E-01 RMM: 4 -0.327940014904E+03 0.24026E-03 -0.67230E-04 4768 0.555E-02 0.118E-01 RMM: 5 -0.327939924097E+03 0.90807E-04 -0.10856E-04 3766 0.270E-02 0.824E-02 RMM: 6 -0.327939890760E+03 0.33337E-04 -0.43378E-05 3107 0.194E-02 0.562E-02 RMM: 7 -0.327939909375E+03 -0.18616E-04 -0.66879E-05 3559 0.216E-02 7547 T= 5836. E= 0.66806862E+03 F= 0.61978579E+03 E0= 0.64864240E+03 EK= 0.48283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327987413584E+03 -0.47523E-01 -0.16212E-01 8232 0.230E+01 0.193E-01 RMM: 2 -0.328000376668E+03 -0.12963E-01 -0.85662E-02 5253 0.651E-01 0.916E-01 RMM: 3 -0.327994213179E+03 0.61635E-02 -0.77535E-03 5658 0.181E-01 0.180E-01 RMM: 4 -0.327993985026E+03 0.22815E-03 -0.67693E-04 4676 0.567E-02 0.108E-01 RMM: 5 -0.327993925323E+03 0.59702E-04 -0.11196E-04 3777 0.272E-02 0.863E-02 RMM: 6 -0.327993883919E+03 0.41405E-04 -0.40174E-05 3077 0.192E-02 0.504E-02 RMM: 7 -0.327993910499E+03 -0.26580E-04 -0.43787E-05 3088 0.187E-02 0.876E-02 RMM: 8 -0.327993862451E+03 0.48048E-04 -0.40266E-05 2830 0.184E-02 0.343E-02 RMM: 9 -0.327993856643E+03 0.58083E-05 -0.13518E-05 2472 0.108E-02 7548 T= 5779. E= 0.66756241E+03 F= 0.61975606E+03 E0= 0.64865847E+03 EK= 0.47806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328121983607E+03 -0.12812E+00 -0.15874E-01 7908 0.231E+01 0.167E-01 RMM: 2 -0.328131867993E+03 -0.98844E-02 -0.69217E-02 5259 0.582E-01 0.764E-01 RMM: 3 -0.328127429425E+03 0.44386E-02 -0.56926E-03 5490 0.158E-01 0.133E-01 RMM: 4 -0.328127404318E+03 0.25107E-04 -0.53961E-04 4445 0.507E-02 0.135E-01 RMM: 5 -0.328127281419E+03 0.12290E-03 -0.98897E-05 3712 0.254E-02 0.679E-02 RMM: 6 -0.328127256578E+03 0.24840E-04 -0.31458E-05 2899 0.170E-02 0.427E-02 RMM: 7 -0.328127270182E+03 -0.13603E-04 -0.28834E-05 2625 0.154E-02 7549 T= 5927. E= 0.66868086E+03 F= 0.61965109E+03 E0= 0.64859836E+03 EK= 0.49030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328300154749E+03 -0.17290E+00 -0.16202E-01 8148 0.236E+01 0.208E-01 RMM: 2 -0.328310554968E+03 -0.10400E-01 -0.63691E-02 5295 0.600E-01 0.909E-01 RMM: 3 -0.328304927881E+03 0.56271E-02 -0.60752E-03 5501 0.169E-01 0.176E-01 RMM: 4 -0.328304771593E+03 0.15629E-03 -0.63442E-04 4623 0.563E-02 0.125E-01 RMM: 5 -0.328304694321E+03 0.77272E-04 -0.10948E-04 3792 0.264E-02 0.872E-02 RMM: 6 -0.328304649556E+03 0.44766E-04 -0.32308E-05 2913 0.175E-02 0.436E-02 RMM: 7 -0.328304668279E+03 -0.18724E-04 -0.45746E-05 3156 0.191E-02 7550 T= 6241. E= 0.67113510E+03 F= 0.61950584E+03 E0= 0.64849687E+03 EK= 0.51629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328436563189E+03 -0.13191E+00 -0.17233E-01 7956 0.243E+01 0.186E-01 RMM: 2 -0.328444975118E+03 -0.84119E-02 -0.65194E-02 5348 0.606E-01 0.700E-01 RMM: 3 -0.328441633265E+03 0.33419E-02 -0.55859E-03 5674 0.150E-01 0.142E-01 RMM: 4 -0.328441601809E+03 0.31456E-04 -0.53494E-04 4595 0.552E-02 0.169E-01 RMM: 5 -0.328441417040E+03 0.18477E-03 -0.13554E-04 3851 0.304E-02 0.705E-02 RMM: 6 -0.328441389164E+03 0.27876E-04 -0.31057E-05 2932 0.171E-02 0.423E-02 RMM: 7 -0.328441392157E+03 -0.29930E-05 -0.30435E-05 2581 0.158E-02 7551 T= 6623. E= 0.67419666E+03 F= 0.61940452E+03 E0= 0.64843670E+03 EK= 0.54792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328418802154E+03 0.22587E-01 -0.18592E-01 8100 0.249E+01 0.216E-01 RMM: 2 -0.328429511618E+03 -0.10709E-01 -0.78315E-02 5339 0.668E-01 0.844E-01 RMM: 3 -0.328424871576E+03 0.46400E-02 -0.71397E-03 5663 0.174E-01 0.176E-01 RMM: 4 -0.328424765216E+03 0.10636E-03 -0.68879E-04 4621 0.607E-02 0.176E-01 RMM: 5 -0.328424564630E+03 0.20059E-03 -0.16297E-04 3873 0.335E-02 0.821E-02 RMM: 6 -0.328424527267E+03 0.37363E-04 -0.46120E-05 3179 0.202E-02 0.495E-02 RMM: 7 -0.328424531971E+03 -0.47043E-05 -0.41994E-05 2928 0.186E-02 7552 T= 6927. E= 0.67676731E+03 F= 0.61945985E+03 E0= 0.64852848E+03 EK= 0.57307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328144986513E+03 0.27954E+00 -0.19334E-01 8196 0.252E+01 0.225E-01 RMM: 2 -0.328157917513E+03 -0.12931E-01 -0.88287E-02 5346 0.702E-01 0.942E-01 RMM: 3 -0.328151883527E+03 0.60340E-02 -0.80502E-03 5643 0.184E-01 0.188E-01 RMM: 4 -0.328151760356E+03 0.12317E-03 -0.83015E-04 4638 0.676E-02 0.180E-01 RMM: 5 -0.328151549810E+03 0.21055E-03 -0.18012E-04 3881 0.341E-02 0.840E-02 RMM: 6 -0.328151511320E+03 0.38491E-04 -0.42310E-05 3116 0.197E-02 0.476E-02 RMM: 7 -0.328151519096E+03 -0.77764E-05 -0.34535E-05 2682 0.168E-02 7553 T= 7014. E= 0.67780333E+03 F= 0.61977462E+03 E0= 0.64887198E+03 EK= 0.58029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327565902690E+03 0.58561E+00 -0.19500E-01 8052 0.251E+01 0.208E-01 RMM: 2 -0.327577947738E+03 -0.12045E-01 -0.90533E-02 5333 0.687E-01 0.836E-01 RMM: 3 -0.327573057080E+03 0.48907E-02 -0.79647E-03 5808 0.177E-01 0.169E-01 RMM: 4 -0.327572946164E+03 0.11092E-03 -0.68087E-04 4646 0.605E-02 0.173E-01 RMM: 5 -0.327572750031E+03 0.19613E-03 -0.14406E-04 3873 0.308E-02 0.794E-02 RMM: 6 -0.327572717553E+03 0.32478E-04 -0.42648E-05 3118 0.196E-02 0.505E-02 RMM: 7 -0.327572730867E+03 -0.13315E-04 -0.63058E-05 3513 0.206E-02 7554 T= 6838. E= 0.67696671E+03 F= 0.62039905E+03 E0= 0.64951522E+03 EK= 0.56568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326703605937E+03 0.86911E+00 -0.18718E-01 8016 0.245E+01 0.211E-01 RMM: 2 -0.326716607284E+03 -0.13001E-01 -0.90131E-02 5293 0.683E-01 0.910E-01 RMM: 3 -0.326710604276E+03 0.60030E-02 -0.79431E-03 5723 0.183E-01 0.186E-01 RMM: 4 -0.326710427087E+03 0.17719E-03 -0.73175E-04 4656 0.619E-02 0.145E-01 RMM: 5 -0.326710309560E+03 0.11753E-03 -0.13659E-04 3850 0.288E-02 0.980E-02 RMM: 6 -0.326710254604E+03 0.54955E-04 -0.51120E-05 3259 0.216E-02 0.442E-02 RMM: 7 -0.326710282443E+03 -0.27838E-04 -0.39164E-05 2955 0.177E-02 0.841E-02 RMM: 8 -0.326710240245E+03 0.42198E-04 -0.38579E-05 2704 0.180E-02 0.327E-02 RMM: 9 -0.326710235297E+03 0.49479E-05 -0.12646E-05 2467 0.104E-02 7555 T= 6476. E= 0.67488591E+03 F= 0.62131182E+03 E0= 0.65043759E+03 EK= 0.53574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325634941411E+03 0.10753E+01 -0.17745E-01 7752 0.237E+01 0.182E-01 RMM: 2 -0.325646871330E+03 -0.11930E-01 -0.92425E-02 5224 0.669E-01 0.760E-01 RMM: 3 -0.325642272879E+03 0.45985E-02 -0.78701E-03 5748 0.180E-01 0.137E-01 RMM: 4 -0.325642237650E+03 0.35229E-04 -0.56106E-04 4628 0.544E-02 0.161E-01 RMM: 5 -0.325642049711E+03 0.18794E-03 -0.11808E-04 3849 0.288E-02 0.686E-02 RMM: 6 -0.325642038445E+03 0.11266E-04 -0.51492E-05 3237 0.206E-02 7556 T= 6079. E= 0.67272198E+03 F= 0.62243547E+03 E0= 0.65156208E+03 EK= 0.50287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324458428224E+03 0.11836E+01 -0.17181E-01 8100 0.230E+01 0.319E-01 RMM: 2 -0.324490011940E+03 -0.31584E-01 -0.90615E-02 5287 0.690E-01 0.189E+00 RMM: 3 -0.324464891947E+03 0.25120E-01 -0.12693E-02 5374 0.270E-01 0.248E-01 RMM: 4 -0.324464511131E+03 0.38082E-03 -0.13861E-03 4758 0.743E-02 0.126E-01 RMM: 5 -0.324464464266E+03 0.46865E-04 -0.20212E-04 3888 0.380E-02 0.132E-01 RMM: 6 -0.324464364206E+03 0.10006E-03 -0.10523E-04 3842 0.288E-02 0.686E-02 RMM: 7 -0.324464430459E+03 -0.66254E-04 -0.95578E-05 3794 0.266E-02 0.122E-01 RMM: 8 -0.324464339735E+03 0.90724E-04 -0.56609E-05 3328 0.219E-02 0.421E-02 RMM: 9 -0.324464333364E+03 0.63712E-05 -0.16148E-05 2520 0.121E-02 7557 T= 5785. E= 0.67153060E+03 F= 0.62367390E+03 E0= 0.65279575E+03 EK= 0.47857E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323250619183E+03 0.12137E+01 -0.16916E-01 8112 0.226E+01 0.291E-01 RMM: 2 -0.323277416217E+03 -0.26797E-01 -0.95615E-02 5133 0.700E-01 0.166E+00 RMM: 3 -0.323257806845E+03 0.19609E-01 -0.12006E-02 5382 0.259E-01 0.305E-01 RMM: 4 -0.323257190109E+03 0.61674E-03 -0.14886E-03 4778 0.835E-02 0.118E-01 RMM: 5 -0.323257209721E+03 -0.19611E-04 -0.21758E-04 3888 0.381E-02 0.145E-01 RMM: 6 -0.323257065259E+03 0.14446E-03 -0.75229E-05 3542 0.257E-02 0.384E-02 RMM: 7 -0.323257087441E+03 -0.22182E-04 -0.37541E-05 2933 0.180E-02 0.742E-02 RMM: 8 -0.323257054099E+03 0.33342E-04 -0.28800E-05 2619 0.171E-02 0.276E-02 RMM: 9 -0.323257051337E+03 0.27616E-05 -0.99714E-06 2457 0.904E-03 7558 T= 5682. E= 0.67195178E+03 F= 0.62494659E+03 E0= 0.65406025E+03 EK= 0.47005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322057958813E+03 0.11991E+01 -0.17169E-01 8076 0.226E+01 0.212E-01 RMM: 2 -0.322073278867E+03 -0.15320E-01 -0.97652E-02 5097 0.693E-01 0.995E-01 RMM: 3 -0.322065778183E+03 0.75007E-02 -0.95354E-03 5546 0.206E-01 0.181E-01 RMM: 4 -0.322065574603E+03 0.20358E-03 -0.78820E-04 4673 0.613E-02 0.126E-01 RMM: 5 -0.322065499161E+03 0.75442E-04 -0.13781E-04 3878 0.304E-02 0.102E-01 RMM: 6 -0.322065441216E+03 0.57945E-04 -0.53537E-05 3254 0.215E-02 0.539E-02 RMM: 7 -0.322065481853E+03 -0.40636E-04 -0.72376E-05 3611 0.229E-02 0.985E-02 RMM: 8 -0.322065419007E+03 0.62846E-04 -0.40347E-05 3067 0.193E-02 0.293E-02 RMM: 9 -0.322065416753E+03 0.22541E-05 -0.12162E-05 2480 0.100E-02 7559 T= 5803. E= 0.67420976E+03 F= 0.62620717E+03 E0= 0.65531148E+03 EK= 0.48003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320887960496E+03 0.11775E+01 -0.18141E-01 8328 0.231E+01 0.204E-01 RMM: 2 -0.320902680268E+03 -0.14720E-01 -0.10966E-01 4957 0.740E-01 0.859E-01 RMM: 3 -0.320897058657E+03 0.56216E-02 -0.11244E-02 5805 0.209E-01 0.169E-01 RMM: 4 -0.320896862062E+03 0.19660E-03 -0.76220E-04 4676 0.637E-02 0.149E-01 RMM: 5 -0.320896735694E+03 0.12637E-03 -0.13865E-04 3829 0.302E-02 0.915E-02 RMM: 6 -0.320896688162E+03 0.47531E-04 -0.48288E-05 3179 0.208E-02 0.456E-02 RMM: 7 -0.320896722741E+03 -0.34578E-04 -0.43719E-05 3028 0.191E-02 0.892E-02 RMM: 8 -0.320896669788E+03 0.52953E-04 -0.33835E-05 2699 0.172E-02 0.200E-02 RMM: 9 -0.320896670384E+03 -0.59578E-06 -0.10156E-05 2464 0.910E-03 7560 T= 6127. E= 0.67813624E+03 F= 0.62744704E+03 E0= 0.65654210E+03 EK= 0.50689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319712496786E+03 0.11842E+01 -0.20296E-01 8112 0.238E+01 0.198E-01 RMM: 2 -0.319728704345E+03 -0.16208E-01 -0.13891E-01 4966 0.828E-01 0.731E-01 RMM: 3 -0.319724365773E+03 0.43386E-02 -0.14370E-02 6004 0.221E-01 0.167E-01 RMM: 4 -0.319724113487E+03 0.25229E-03 -0.82675E-04 4701 0.692E-02 0.169E-01 RMM: 5 -0.319723934049E+03 0.17944E-03 -0.16192E-04 3891 0.334E-02 0.859E-02 RMM: 6 -0.319723891857E+03 0.42191E-04 -0.38637E-05 3012 0.188E-02 0.442E-02 RMM: 7 -0.319723914028E+03 -0.22170E-04 -0.54904E-05 3319 0.202E-02 0.810E-02 RMM: 8 -0.319723872273E+03 0.41755E-04 -0.34573E-05 2807 0.173E-02 0.257E-02 RMM: 9 -0.319723871075E+03 0.11983E-05 -0.11158E-05 2469 0.959E-03 7561 T= 6574. E= 0.68307588E+03 F= 0.62869209E+03 E0= 0.65777928E+03 EK= 0.54384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318485482717E+03 0.12384E+01 -0.22969E-01 8352 0.247E+01 0.225E-01 RMM: 2 -0.318504547227E+03 -0.19065E-01 -0.15294E-01 5063 0.865E-01 0.883E-01 RMM: 3 -0.318498315747E+03 0.62315E-02 -0.14864E-02 5866 0.232E-01 0.170E-01 RMM: 4 -0.318498171446E+03 0.14430E-03 -0.99278E-04 4756 0.737E-02 0.210E-01 RMM: 5 -0.318497884430E+03 0.28702E-03 -0.19873E-04 3894 0.362E-02 0.871E-02 RMM: 6 -0.318497841833E+03 0.42597E-04 -0.50956E-05 3216 0.207E-02 0.485E-02 RMM: 7 -0.318497861209E+03 -0.19376E-04 -0.47642E-05 3077 0.192E-02 7562 T= 6990. E= 0.68781478E+03 F= 0.62999113E+03 E0= 0.65907111E+03 EK= 0.57824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317163252608E+03 0.13346E+01 -0.24100E-01 8604 0.253E+01 0.214E-01 RMM: 2 -0.317180556071E+03 -0.17303E-01 -0.15152E-01 5193 0.841E-01 0.738E-01 RMM: 3 -0.317175837410E+03 0.47187E-02 -0.13200E-02 5933 0.218E-01 0.178E-01 RMM: 4 -0.317175695035E+03 0.14237E-03 -0.91857E-04 4755 0.720E-02 0.205E-01 RMM: 5 -0.317175417205E+03 0.27783E-03 -0.20298E-04 3893 0.371E-02 0.799E-02 RMM: 6 -0.317175388420E+03 0.28785E-04 -0.43563E-05 3087 0.196E-02 0.537E-02 RMM: 7 -0.317175411334E+03 -0.22914E-04 -0.59334E-05 3413 0.200E-02 0.877E-02 RMM: 8 -0.317175362395E+03 0.48939E-04 -0.41339E-05 2985 0.189E-02 0.258E-02 RMM: 9 -0.317175365415E+03 -0.30207E-05 -0.14115E-05 2485 0.110E-02 7563 T= 7194. E= 0.69090368E+03 F= 0.63138797E+03 E0= 0.66046034E+03 EK= 0.59516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315736967601E+03 0.14384E+01 -0.26100E-01 8448 0.254E+01 0.235E-01 RMM: 2 -0.315758219749E+03 -0.21252E-01 -0.17605E-01 5022 0.929E-01 0.891E-01 RMM: 3 -0.315751857768E+03 0.63620E-02 -0.17001E-02 5996 0.249E-01 0.169E-01 RMM: 4 -0.315751680326E+03 0.17744E-03 -0.10312E-03 4773 0.758E-02 0.219E-01 RMM: 5 -0.315751381614E+03 0.29871E-03 -0.22652E-04 3916 0.387E-02 0.970E-02 RMM: 6 -0.315751325692E+03 0.55922E-04 -0.65651E-05 3369 0.232E-02 0.476E-02 RMM: 7 -0.315751348737E+03 -0.23045E-04 -0.49231E-05 3109 0.195E-02 0.852E-02 RMM: 8 -0.315751298677E+03 0.50060E-04 -0.47092E-05 2985 0.190E-02 0.214E-02 RMM: 9 -0.315751301827E+03 -0.31497E-05 -0.14819E-05 2482 0.112E-02 7564 T= 7083. E= 0.69148636E+03 F= 0.63288900E+03 E0= 0.66195125E+03 EK= 0.58597E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314259055780E+03 0.14922E+01 -0.26567E-01 8568 0.249E+01 0.220E-01 RMM: 2 -0.314280339658E+03 -0.21284E-01 -0.17834E-01 5200 0.927E-01 0.870E-01 RMM: 3 -0.314274099751E+03 0.62399E-02 -0.15762E-02 6100 0.233E-01 0.177E-01 RMM: 4 -0.314273806727E+03 0.29302E-03 -0.91539E-04 4767 0.729E-02 0.172E-01 RMM: 5 -0.314273624888E+03 0.18184E-03 -0.18636E-04 3920 0.343E-02 0.992E-02 RMM: 6 -0.314273575060E+03 0.49828E-04 -0.68311E-05 3412 0.240E-02 0.570E-02 RMM: 7 -0.314273618588E+03 -0.43528E-04 -0.68061E-05 3559 0.219E-02 0.104E-01 RMM: 8 -0.314273548333E+03 0.70254E-04 -0.43550E-05 3061 0.192E-02 0.294E-02 RMM: 9 -0.314273546168E+03 0.21658E-05 -0.13857E-05 2481 0.107E-02 7565 T= 6708. E= 0.68994073E+03 F= 0.63444787E+03 E0= 0.66349601E+03 EK= 0.55493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312817290281E+03 0.14563E+01 -0.24814E-01 8820 0.241E+01 0.246E-01 RMM: 2 -0.312839173177E+03 -0.21883E-01 -0.15664E-01 5276 0.884E-01 0.108E+00 RMM: 3 -0.312830068928E+03 0.91042E-02 -0.13713E-02 5847 0.234E-01 0.184E-01 RMM: 4 -0.312829829995E+03 0.23893E-03 -0.95400E-04 4726 0.698E-02 0.165E-01 RMM: 5 -0.312829658933E+03 0.17106E-03 -0.18713E-04 3897 0.349E-02 0.989E-02 RMM: 6 -0.312829614936E+03 0.43997E-04 -0.70307E-05 3467 0.237E-02 0.648E-02 RMM: 7 -0.312829649889E+03 -0.34953E-04 -0.76791E-05 3728 0.233E-02 0.102E-01 RMM: 8 -0.312829579926E+03 0.69962E-04 -0.44997E-05 3121 0.196E-02 0.265E-02 RMM: 9 -0.312829580967E+03 -0.10402E-05 -0.14720E-05 2491 0.110E-02 7566 T= 6237. E= 0.68757755E+03 F= 0.63597839E+03 E0= 0.66500822E+03 EK= 0.51599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.311501871114E+03 0.13277E+01 -0.22683E-01 8724 0.233E+01 0.233E-01 RMM: 2 -0.311522460854E+03 -0.20590E-01 -0.15578E-01 5231 0.881E-01 0.101E+00 RMM: 3 -0.311514863982E+03 0.75969E-02 -0.14243E-02 5976 0.224E-01 0.203E-01 RMM: 4 -0.311514453080E+03 0.41090E-03 -0.86443E-04 4707 0.683E-02 0.144E-01 RMM: 5 -0.311514331261E+03 0.12182E-03 -0.18581E-04 3890 0.357E-02 0.104E-01 RMM: 6 -0.311514281239E+03 0.50021E-04 -0.84021E-05 3601 0.260E-02 0.684E-02 RMM: 7 -0.311514323815E+03 -0.42576E-04 -0.81314E-05 3789 0.243E-02 0.110E-01 RMM: 8 -0.311514242685E+03 0.81130E-04 -0.41197E-05 3094 0.189E-02 0.272E-02 RMM: 9 -0.311514245069E+03 -0.23841E-05 -0.15607E-05 2496 0.113E-02 7567 T= 5849. E= 0.68577465E+03 F= 0.63738620E+03 E0= 0.66639450E+03 EK= 0.48388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310388679163E+03 0.11256E+01 -0.19742E-01 8832 0.227E+01 0.214E-01 RMM: 2 -0.310404609138E+03 -0.15930E-01 -0.11874E-01 5414 0.762E-01 0.907E-01 RMM: 3 -0.310398244697E+03 0.63644E-02 -0.96500E-03 5861 0.192E-01 0.160E-01 RMM: 4 -0.310398052132E+03 0.19256E-03 -0.69920E-04 4654 0.602E-02 0.144E-01 RMM: 5 -0.310397904517E+03 0.14762E-03 -0.15171E-04 3878 0.313E-02 0.829E-02 RMM: 6 -0.310397897461E+03 0.70556E-05 -0.67448E-05 3464 0.231E-02 7568 T= 5661. E= 0.68543387E+03 F= 0.63860031E+03 E0= 0.66758525E+03 EK= 0.46834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309507193866E+03 0.89071E+00 -0.19182E-01 8652 0.226E+01 0.337E-01 RMM: 2 -0.309539200504E+03 -0.32007E-01 -0.11860E-01 5291 0.778E-01 0.182E+00 RMM: 3 -0.309516162315E+03 0.23038E-01 -0.14795E-02 5376 0.283E-01 0.295E-01 RMM: 4 -0.309515634563E+03 0.52775E-03 -0.16269E-03 4843 0.796E-02 0.138E-01 RMM: 5 -0.309515596154E+03 0.38409E-04 -0.26467E-04 3900 0.407E-02 0.154E-01 RMM: 6 -0.309515456262E+03 0.13989E-03 -0.14589E-04 3876 0.336E-02 0.759E-02 RMM: 7 -0.309515531060E+03 -0.74797E-04 -0.12123E-04 3877 0.298E-02 0.129E-01 RMM: 8 -0.309515430315E+03 0.10074E-03 -0.68890E-05 3475 0.236E-02 0.487E-02 RMM: 9 -0.309515418094E+03 0.12220E-04 -0.18113E-05 2545 0.130E-02 7569 T= 5724. E= 0.68693424E+03 F= 0.63958427E+03 E0= 0.66854455E+03 EK= 0.47350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308863641420E+03 0.65179E+00 -0.18583E-01 8664 0.229E+01 0.352E-01 RMM: 2 -0.308900187405E+03 -0.36546E-01 -0.11621E-01 5225 0.786E-01 0.202E+00 RMM: 3 -0.308872306141E+03 0.27881E-01 -0.15233E-02 5380 0.291E-01 0.354E-01 RMM: 4 -0.308871438714E+03 0.86743E-03 -0.20623E-03 4862 0.966E-02 0.142E-01 RMM: 5 -0.308871502185E+03 -0.63471E-04 -0.32194E-04 3917 0.442E-02 0.177E-01 RMM: 6 -0.308871281621E+03 0.22056E-03 -0.11108E-04 3810 0.302E-02 0.362E-02 RMM: 7 -0.308871291327E+03 -0.97068E-05 -0.27797E-05 2745 0.146E-02 7570 T= 6030. E= 0.69021193E+03 F= 0.64033160E+03 E0= 0.66926704E+03 EK= 0.49880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308436861080E+03 0.43442E+00 -0.18840E-01 8388 0.236E+01 0.246E-01 RMM: 2 -0.308453951781E+03 -0.17091E-01 -0.10544E-01 5367 0.727E-01 0.111E+00 RMM: 3 -0.308445151738E+03 0.88000E-02 -0.94243E-03 5489 0.205E-01 0.215E-01 RMM: 4 -0.308444995042E+03 0.15670E-03 -0.10407E-03 4644 0.716E-02 0.181E-01 RMM: 5 -0.308444821059E+03 0.17398E-03 -0.19636E-04 3888 0.330E-02 0.115E-01 RMM: 6 -0.308444744218E+03 0.76841E-04 -0.76800E-05 3497 0.249E-02 0.562E-02 RMM: 7 -0.308444797504E+03 -0.53286E-04 -0.75090E-05 3669 0.226E-02 0.110E-01 RMM: 8 -0.308444719557E+03 0.77947E-04 -0.43634E-05 3118 0.199E-02 0.302E-02 RMM: 9 -0.308444718270E+03 0.12872E-05 -0.13844E-05 2490 0.109E-02 7571 T= 6507. E= 0.69469272E+03 F= 0.64086149E+03 E0= 0.66977167E+03 EK= 0.53831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308192132405E+03 0.25259E+00 -0.20046E-01 8052 0.245E+01 0.232E-01 RMM: 2 -0.308207618853E+03 -0.15486E-01 -0.12958E-01 5130 0.831E-01 0.833E-01 RMM: 3 -0.308202816780E+03 0.48021E-02 -0.12874E-02 5914 0.209E-01 0.171E-01 RMM: 4 -0.308202717476E+03 0.99304E-04 -0.96344E-04 4703 0.750E-02 0.228E-01 RMM: 5 -0.308202395782E+03 0.32169E-03 -0.23586E-04 3888 0.391E-02 0.989E-02 RMM: 6 -0.308202335505E+03 0.60277E-04 -0.51992E-05 3240 0.212E-02 0.420E-02 RMM: 7 -0.308202346511E+03 -0.11006E-04 -0.34207E-05 2739 0.168E-02 7572 T= 7004. E= 0.69914704E+03 F= 0.64120671E+03 E0= 0.67009146E+03 EK= 0.57940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308107024409E+03 0.95311E-01 -0.20131E-01 8028 0.252E+01 0.242E-01 RMM: 2 -0.308122257329E+03 -0.15233E-01 -0.12406E-01 5159 0.816E-01 0.845E-01 RMM: 3 -0.308117251534E+03 0.50058E-02 -0.12835E-02 5872 0.213E-01 0.201E-01 RMM: 4 -0.308117071239E+03 0.18030E-03 -0.97361E-04 4695 0.734E-02 0.216E-01 RMM: 5 -0.308116776370E+03 0.29487E-03 -0.22740E-04 3895 0.377E-02 0.922E-02 RMM: 6 -0.308116736222E+03 0.40147E-04 -0.54510E-05 3284 0.212E-02 0.609E-02 RMM: 7 -0.308116757440E+03 -0.21217E-04 -0.64624E-05 3552 0.214E-02 0.892E-02 RMM: 8 -0.308116707194E+03 0.50245E-04 -0.48476E-05 3189 0.206E-02 0.332E-02 RMM: 9 -0.308116711011E+03 -0.38164E-05 -0.16929E-05 2519 0.122E-02 7573 T= 7313. E= 0.70189728E+03 F= 0.64139556E+03 E0= 0.67025500E+03 EK= 0.60502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308174522241E+03 -0.57815E-01 -0.21370E-01 7716 0.253E+01 0.251E-01 RMM: 2 -0.308191976840E+03 -0.17455E-01 -0.14480E-01 4960 0.893E-01 0.892E-01 RMM: 3 -0.308186555761E+03 0.54211E-02 -0.16117E-02 5890 0.237E-01 0.169E-01 RMM: 4 -0.308186475427E+03 0.80334E-04 -0.11167E-03 4817 0.793E-02 0.248E-01 RMM: 5 -0.308186122389E+03 0.35304E-03 -0.26808E-04 3942 0.418E-02 0.111E-01 RMM: 6 -0.308186042880E+03 0.79510E-04 -0.75779E-05 3493 0.249E-02 0.416E-02 RMM: 7 -0.308186054676E+03 -0.11796E-04 -0.32562E-05 2769 0.168E-02 7574 T= 7285. E= 0.70169681E+03 F= 0.64143180E+03 E0= 0.67026687E+03 EK= 0.60265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308434357013E+03 -0.24831E+00 -0.20642E-01 7812 0.250E+01 0.242E-01 RMM: 2 -0.308450902252E+03 -0.16545E-01 -0.12601E-01 4994 0.836E-01 0.929E-01 RMM: 3 -0.308444948956E+03 0.59533E-02 -0.14253E-02 5854 0.228E-01 0.228E-01 RMM: 4 -0.308444560894E+03 0.38806E-03 -0.10202E-03 4758 0.746E-02 0.165E-01 RMM: 5 -0.308444392368E+03 0.16853E-03 -0.19775E-04 3888 0.340E-02 0.920E-02 RMM: 6 -0.308444364554E+03 0.27813E-04 -0.74417E-05 3485 0.244E-02 0.718E-02 RMM: 7 -0.308444403364E+03 -0.38809E-04 -0.77423E-05 3682 0.235E-02 0.107E-01 RMM: 8 -0.308444327703E+03 0.75660E-04 -0.50153E-05 3207 0.211E-02 0.267E-02 RMM: 9 -0.308444329170E+03 -0.14665E-05 -0.14224E-05 2494 0.113E-02 7575 T= 6936. E= 0.69866257E+03 F= 0.64128408E+03 E0= 0.67009682E+03 EK= 0.57378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.308935815533E+03 -0.49149E+00 -0.21226E-01 7620 0.243E+01 0.219E-01 RMM: 2 -0.308953865325E+03 -0.18050E-01 -0.15589E-01 4800 0.918E-01 0.786E-01 RMM: 3 -0.308949050356E+03 0.48150E-02 -0.17425E-02 6007 0.243E-01 0.141E-01 RMM: 4 -0.308948924831E+03 0.12553E-03 -0.94416E-04 4841 0.745E-02 0.222E-01 RMM: 5 -0.308948612196E+03 0.31263E-03 -0.21804E-04 3918 0.394E-02 0.871E-02 RMM: 6 -0.308948579875E+03 0.32321E-04 -0.83527E-05 3524 0.257E-02 0.597E-02 RMM: 7 -0.308948591923E+03 -0.12048E-04 -0.52838E-05 3223 0.209E-02 7576 T= 6439. E= 0.69416527E+03 F= 0.64089775E+03 E0= 0.66969036E+03 EK= 0.53268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.309743256204E+03 -0.79468E+00 -0.17782E-01 7800 0.235E+01 0.231E-01 RMM: 2 -0.309757796646E+03 -0.14540E-01 -0.10625E-01 5040 0.763E-01 0.901E-01 RMM: 3 -0.309751898481E+03 0.58982E-02 -0.11310E-02 5836 0.208E-01 0.195E-01 RMM: 4 -0.309751669273E+03 0.22921E-03 -0.86455E-04 4672 0.699E-02 0.169E-01 RMM: 5 -0.309751483010E+03 0.18626E-03 -0.20873E-04 3891 0.379E-02 0.928E-02 RMM: 6 -0.309751480166E+03 0.28440E-05 -0.99857E-05 3737 0.277E-02 7577 T= 5996. E= 0.68982241E+03 F= 0.64022158E+03 E0= 0.66899542E+03 EK= 0.49601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.310871628598E+03 -0.11201E+01 -0.16853E-01 7764 0.230E+01 0.380E-01 RMM: 2 -0.310909352664E+03 -0.37724E-01 -0.10503E-01 5076 0.771E-01 0.209E+00 RMM: 3 -0.310879376909E+03 0.29976E-01 -0.16911E-02 5357 0.314E-01 0.352E-01 RMM: 4 -0.310878615012E+03 0.76190E-03 -0.20435E-03 4964 0.922E-02 0.160E-01 RMM: 5 -0.310878574995E+03 0.40018E-04 -0.34853E-04 4006 0.460E-02 0.167E-01 RMM: 6 -0.310878401691E+03 0.17330E-03 -0.14961E-04 3879 0.343E-02 0.694E-02 RMM: 7 -0.310878456409E+03 -0.54719E-04 -0.99643E-05 3833 0.272E-02 0.112E-01 RMM: 8 -0.310878388397E+03 0.68013E-04 -0.47995E-05 3218 0.205E-02 0.556E-02 RMM: 9 -0.310878370713E+03 0.17684E-04 -0.19378E-05 2548 0.135E-02 7578 T= 5742. E= 0.68672922E+03 F= 0.63923012E+03 E0= 0.66798493E+03 EK= 0.47499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.312310122425E+03 -0.14317E+01 -0.16259E-01 7800 0.229E+01 0.362E-01 RMM: 2 -0.312342128522E+03 -0.32006E-01 -0.97203E-02 5036 0.750E-01 0.190E+00 RMM: 3 -0.312317238874E+03 0.24890E-01 -0.14891E-02 5361 0.292E-01 0.363E-01 RMM: 4 -0.312316379816E+03 0.85906E-03 -0.20490E-03 5033 0.990E-02 0.151E-01 RMM: 5 -0.312316390160E+03 -0.10343E-04 -0.31761E-04 3903 0.435E-02 0.176E-01 RMM: 6 -0.312316184545E+03 0.20561E-03 -0.11732E-04 3850 0.312E-02 0.491E-02 RMM: 7 -0.312316200094E+03 -0.15549E-04 -0.50463E-05 3224 0.187E-02 7579 T= 5731. E= 0.68534536E+03 F= 0.63793487E+03 E0= 0.66666901E+03 EK= 0.47410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314004403962E+03 -0.16882E+01 -0.16611E-01 8076 0.233E+01 0.300E-01 RMM: 2 -0.314022411703E+03 -0.18008E-01 -0.81853E-02 5156 0.677E-01 0.132E+00 RMM: 3 -0.314010248336E+03 0.12163E-01 -0.97996E-03 5386 0.224E-01 0.210E-01 RMM: 4 -0.314010362329E+03 -0.11399E-03 -0.13196E-03 4691 0.802E-02 0.266E-01 RMM: 5 -0.314009975345E+03 0.38698E-03 -0.30239E-04 3938 0.437E-02 0.139E-01 RMM: 6 -0.314009851256E+03 0.12409E-03 -0.11796E-04 3830 0.309E-02 0.570E-02 RMM: 7 -0.314009901796E+03 -0.50541E-04 -0.72455E-05 3510 0.230E-02 0.107E-01 RMM: 8 -0.314009830643E+03 0.71153E-04 -0.44975E-05 3140 0.206E-02 0.379E-02 RMM: 9 -0.314009823677E+03 0.69659E-05 -0.13392E-05 2489 0.110E-02 7580 T= 5953. E= 0.68563996E+03 F= 0.63638860E+03 E0= 0.66509824E+03 EK= 0.49251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315854785734E+03 -0.18450E+01 -0.17203E-01 7860 0.241E+01 0.259E-01 RMM: 2 -0.315866671250E+03 -0.11886E-01 -0.91230E-02 5119 0.720E-01 0.851E-01 RMM: 3 -0.315861758631E+03 0.49126E-02 -0.95644E-03 5672 0.194E-01 0.180E-01 RMM: 4 -0.315861969870E+03 -0.21124E-03 -0.10662E-03 4745 0.789E-02 0.288E-01 RMM: 5 -0.315861417774E+03 0.55210E-03 -0.31033E-04 3940 0.456E-02 0.976E-02 RMM: 6 -0.315861358437E+03 0.59337E-04 -0.73967E-05 3486 0.241E-02 0.498E-02 RMM: 7 -0.315861380737E+03 -0.22300E-04 -0.58644E-05 3377 0.207E-02 0.848E-02 RMM: 8 -0.315861333182E+03 0.47555E-04 -0.36082E-05 2890 0.181E-02 0.229E-02 RMM: 9 -0.315861336694E+03 -0.35117E-05 -0.13245E-05 2479 0.105E-02 7581 T= 6340. E= 0.68713748E+03 F= 0.63468692E+03 E0= 0.66336758E+03 EK= 0.52451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317726647418E+03 -0.18653E+01 -0.18057E-01 7836 0.250E+01 0.300E-01 RMM: 2 -0.317741223695E+03 -0.14576E-01 -0.98435E-02 5137 0.763E-01 0.104E+00 RMM: 3 -0.317733899482E+03 0.73242E-02 -0.10600E-02 5562 0.216E-01 0.205E-01 RMM: 4 -0.317734126602E+03 -0.22712E-03 -0.13949E-03 4801 0.892E-02 0.308E-01 RMM: 5 -0.317733536876E+03 0.58973E-03 -0.37013E-04 4015 0.493E-02 0.125E-01 RMM: 6 -0.317733436757E+03 0.10012E-03 -0.90764E-05 3648 0.265E-02 0.506E-02 RMM: 7 -0.317733458018E+03 -0.21261E-04 -0.59904E-05 3391 0.209E-02 0.857E-02 RMM: 8 -0.317733408517E+03 0.49501E-04 -0.36958E-05 2903 0.187E-02 0.303E-02 RMM: 9 -0.317733409115E+03 -0.59881E-06 -0.15717E-05 2498 0.114E-02 7582 T= 6759. E= 0.68887738E+03 F= 0.63296600E+03 E0= 0.66161262E+03 EK= 0.55911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319464603045E+03 -0.17312E+01 -0.19057E-01 7932 0.257E+01 0.292E-01 RMM: 2 -0.319478220484E+03 -0.13617E-01 -0.98764E-02 5188 0.764E-01 0.967E-01 RMM: 3 -0.319471956189E+03 0.62643E-02 -0.10167E-02 5637 0.206E-01 0.201E-01 RMM: 4 -0.319472274549E+03 -0.31836E-03 -0.12715E-03 4747 0.861E-02 0.328E-01 RMM: 5 -0.319471554015E+03 0.72053E-03 -0.37797E-04 4043 0.495E-02 0.991E-02 RMM: 6 -0.319471497492E+03 0.56522E-04 -0.84086E-05 3562 0.253E-02 0.542E-02 RMM: 7 -0.319471516918E+03 -0.19425E-04 -0.55927E-05 3309 0.202E-02 7583 T= 7036. E= 0.68958837E+03 F= 0.63138081E+03 E0= 0.65998989E+03 EK= 0.58208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320938393029E+03 -0.14669E+01 -0.19596E-01 7884 0.259E+01 0.285E-01 RMM: 2 -0.320951369873E+03 -0.12977E-01 -0.98383E-02 5094 0.759E-01 0.898E-01 RMM: 3 -0.320945973768E+03 0.53961E-02 -0.10630E-02 5631 0.209E-01 0.224E-01 RMM: 4 -0.320946100658E+03 -0.12689E-03 -0.12807E-03 4800 0.853E-02 0.298E-01 RMM: 5 -0.320945506716E+03 0.59394E-03 -0.35374E-04 4016 0.482E-02 0.990E-02 RMM: 6 -0.320945461566E+03 0.45150E-04 -0.77869E-05 3539 0.246E-02 0.649E-02 RMM: 7 -0.320945483491E+03 -0.21926E-04 -0.74332E-05 3694 0.221E-02 0.950E-02 RMM: 8 -0.320945424913E+03 0.58578E-04 -0.40018E-05 3097 0.194E-02 0.252E-02 RMM: 9 -0.320945429651E+03 -0.47377E-05 -0.12205E-05 2491 0.102E-02 7584 T= 7041. E= 0.68831107E+03 F= 0.63006355E+03 E0= 0.65863348E+03 EK= 0.58248E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322081861581E+03 -0.11364E+01 -0.19998E-01 8004 0.256E+01 0.248E-01 RMM: 2 -0.322094556098E+03 -0.12695E-01 -0.10685E-01 4843 0.783E-01 0.760E-01 RMM: 3 -0.322090459488E+03 0.40966E-02 -0.12102E-02 5780 0.212E-01 0.165E-01 RMM: 4 -0.322090669371E+03 -0.20988E-03 -0.10056E-03 4839 0.782E-02 0.296E-01 RMM: 5 -0.322090084563E+03 0.58481E-03 -0.30969E-04 4043 0.459E-02 0.836E-02 RMM: 6 -0.322090065066E+03 0.19496E-04 -0.10401E-04 3739 0.281E-02 7585 T= 6769. E= 0.68508135E+03 F= 0.62908206E+03 E0= 0.65761472E+03 EK= 0.55999E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322909257342E+03 -0.81917E+00 -0.18769E-01 7512 0.249E+01 0.315E-01 RMM: 2 -0.322933948644E+03 -0.24691E-01 -0.10092E-01 4950 0.765E-01 0.155E+00 RMM: 3 -0.322917009467E+03 0.16939E-01 -0.13211E-02 5359 0.261E-01 0.274E-01 RMM: 4 -0.322916733278E+03 0.27619E-03 -0.16222E-03 4981 0.887E-02 0.205E-01 RMM: 5 -0.322916617659E+03 0.11562E-03 -0.39373E-04 4285 0.505E-02 0.182E-01 RMM: 6 -0.322916415359E+03 0.20230E-03 -0.16960E-04 3880 0.354E-02 0.704E-02 RMM: 7 -0.322916482956E+03 -0.67597E-04 -0.10605E-04 3839 0.278E-02 0.121E-01 RMM: 8 -0.322916390872E+03 0.92084E-04 -0.49386E-05 3295 0.218E-02 0.408E-02 RMM: 9 -0.322916383468E+03 0.74040E-05 -0.11909E-05 2505 0.101E-02 7586 T= 6346. E= 0.68092405E+03 F= 0.62842787E+03 E0= 0.65692644E+03 EK= 0.52496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323483477180E+03 -0.56709E+00 -0.17159E-01 7584 0.240E+01 0.305E-01 RMM: 2 -0.323508922276E+03 -0.25445E-01 -0.72888E-02 4950 0.677E-01 0.170E+00 RMM: 3 -0.323488443707E+03 0.20479E-01 -0.10759E-02 5337 0.252E-01 0.228E-01 RMM: 4 -0.323488245095E+03 0.19861E-03 -0.13696E-03 4871 0.826E-02 0.189E-01 RMM: 5 -0.323488150504E+03 0.94591E-04 -0.33354E-04 4287 0.494E-02 0.167E-01 RMM: 6 -0.323487967476E+03 0.18303E-03 -0.14680E-04 3865 0.337E-02 0.554E-02 RMM: 7 -0.323488027815E+03 -0.60340E-04 -0.66442E-05 3454 0.223E-02 0.111E-01 RMM: 8 -0.323487949088E+03 0.78728E-04 -0.34269E-05 2993 0.193E-02 0.257E-02 RMM: 9 -0.323487948461E+03 0.62645E-06 -0.90887E-06 2471 0.840E-03 7587 T= 5938. E= 0.67716166E+03 F= 0.62803862E+03 E0= 0.65650886E+03 EK= 0.49123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323875477716E+03 -0.38753E+00 -0.16618E-01 7548 0.233E+01 0.249E-01 RMM: 2 -0.323888371536E+03 -0.12894E-01 -0.81595E-02 4907 0.691E-01 0.965E-01 RMM: 3 -0.323881817616E+03 0.65539E-02 -0.92608E-03 5396 0.205E-01 0.216E-01 RMM: 4 -0.323881697171E+03 0.12044E-03 -0.10020E-03 4756 0.740E-02 0.198E-01 RMM: 5 -0.323881473125E+03 0.22405E-03 -0.38335E-04 4461 0.550E-02 0.116E-01 RMM: 6 -0.323881435493E+03 0.37632E-04 -0.12761E-04 3848 0.298E-02 0.897E-02 RMM: 7 -0.323881428737E+03 0.67558E-05 -0.57837E-05 3403 0.232E-02 7588 T= 5675. E= 0.67478412E+03 F= 0.62783685E+03 E0= 0.65628504E+03 EK= 0.46947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324154139474E+03 -0.27270E+00 -0.15127E-01 7572 0.229E+01 0.233E-01 RMM: 2 -0.324159630729E+03 -0.54913E-02 -0.54788E-02 5073 0.564E-01 0.482E-01 RMM: 3 -0.324158116063E+03 0.15147E-02 -0.55263E-03 5644 0.147E-01 0.179E-01 RMM: 4 -0.324158326385E+03 -0.21032E-03 -0.75004E-04 4637 0.702E-02 0.284E-01 RMM: 5 -0.324157802196E+03 0.52419E-03 -0.41161E-04 4364 0.554E-02 0.947E-02 RMM: 6 -0.324157849446E+03 -0.47250E-04 -0.14849E-04 3870 0.323E-02 0.127E-01 RMM: 7 -0.324157778032E+03 0.71415E-04 -0.63580E-05 3470 0.243E-02 0.752E-02 RMM: 8 -0.324157743742E+03 0.34290E-04 -0.22087E-05 2665 0.147E-02 0.255E-02 RMM: 9 -0.324157754941E+03 -0.11199E-04 -0.12519E-05 2485 0.102E-02 7589 T= 5624. E= 0.67428423E+03 F= 0.62775887E+03 E0= 0.65619262E+03 EK= 0.46525E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324345517205E+03 -0.18777E+00 -0.15168E-01 7848 0.229E+01 0.217E-01 RMM: 2 -0.324353892856E+03 -0.83757E-02 -0.65365E-02 4951 0.604E-01 0.696E-01 RMM: 3 -0.324350428272E+03 0.34646E-02 -0.71535E-03 5635 0.167E-01 0.140E-01 RMM: 4 -0.324350612062E+03 -0.18379E-03 -0.78545E-04 4653 0.697E-02 0.244E-01 RMM: 5 -0.324350235702E+03 0.37636E-03 -0.24897E-04 3899 0.421E-02 0.997E-02 RMM: 6 -0.324350187808E+03 0.47894E-04 -0.88965E-05 3635 0.268E-02 0.590E-02 RMM: 7 -0.324350214982E+03 -0.27174E-04 -0.35916E-05 2971 0.181E-02 0.871E-02 RMM: 8 -0.324350164657E+03 0.50325E-04 -0.23314E-05 2626 0.162E-02 0.156E-02 RMM: 9 -0.324350166798E+03 -0.21407E-05 -0.65828E-06 2451 0.728E-03 7590 T= 5799. E= 0.67574303E+03 F= 0.62776752E+03 E0= 0.65619554E+03 EK= 0.47976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324457942169E+03 -0.10778E+00 -0.15922E-01 7716 0.233E+01 0.250E-01 RMM: 2 -0.324465184987E+03 -0.72428E-02 -0.65900E-02 5193 0.588E-01 0.599E-01 RMM: 3 -0.324462648428E+03 0.25366E-02 -0.65773E-03 5699 0.155E-01 0.174E-01 RMM: 4 -0.324462936436E+03 -0.28801E-03 -0.82868E-04 4669 0.711E-02 0.303E-01 RMM: 5 -0.324462339405E+03 0.59703E-03 -0.31835E-04 3990 0.465E-02 0.976E-02 RMM: 6 -0.324462306519E+03 0.32886E-04 -0.94603E-05 3715 0.265E-02 0.748E-02 RMM: 7 -0.324462311092E+03 -0.45724E-05 -0.52700E-05 3267 0.207E-02 7591 T= 6165. E= 0.67885812E+03 F= 0.62785538E+03 E0= 0.65628746E+03 EK= 0.51003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324475904511E+03 -0.13598E-01 -0.17104E-01 7656 0.240E+01 0.259E-01 RMM: 2 -0.324483155191E+03 -0.72507E-02 -0.66555E-02 5173 0.608E-01 0.607E-01 RMM: 3 -0.324480662753E+03 0.24924E-02 -0.67661E-03 5692 0.164E-01 0.194E-01 RMM: 4 -0.324480972279E+03 -0.30953E-03 -0.88835E-04 4622 0.725E-02 0.317E-01 RMM: 5 -0.324480288176E+03 0.68410E-03 -0.35947E-04 4043 0.491E-02 0.769E-02 RMM: 6 -0.324480304613E+03 -0.16437E-04 -0.86178E-05 3624 0.255E-02 7592 T= 6625. E= 0.68284040E+03 F= 0.62803402E+03 E0= 0.65648280E+03 EK= 0.54806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324385345598E+03 0.94943E-01 -0.18400E-01 7800 0.246E+01 0.336E-01 RMM: 2 -0.324404286735E+03 -0.18941E-01 -0.72434E-02 5267 0.635E-01 0.144E+00 RMM: 3 -0.324390081897E+03 0.14205E-01 -0.10189E-02 5340 0.241E-01 0.281E-01 RMM: 4 -0.324389998483E+03 0.83414E-04 -0.15263E-03 4731 0.876E-02 0.263E-01 RMM: 5 -0.324389661581E+03 0.33690E-03 -0.32821E-04 3902 0.442E-02 0.170E-01 RMM: 6 -0.324389477343E+03 0.18424E-03 -0.14728E-04 3880 0.353E-02 0.601E-02 RMM: 7 -0.324389516364E+03 -0.39021E-04 -0.65852E-05 3437 0.225E-02 0.984E-02 RMM: 8 -0.324389460688E+03 0.55676E-04 -0.37363E-05 2953 0.186E-02 0.454E-02 RMM: 9 -0.324389451545E+03 0.91425E-05 -0.18967E-05 2530 0.130E-02 7593 T= 7020. E= 0.68639176E+03 F= 0.62831808E+03 E0= 0.65679598E+03 EK= 0.58074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324195093369E+03 0.19437E+00 -0.19189E-01 7644 0.250E+01 0.338E-01 RMM: 2 -0.324216458116E+03 -0.21365E-01 -0.81631E-02 5202 0.688E-01 0.153E+00 RMM: 3 -0.324200699728E+03 0.15758E-01 -0.10968E-02 5366 0.248E-01 0.331E-01 RMM: 4 -0.324200161246E+03 0.53848E-03 -0.18250E-03 4848 0.979E-02 0.212E-01 RMM: 5 -0.324200019935E+03 0.14131E-03 -0.34384E-04 4006 0.483E-02 0.176E-01 RMM: 6 -0.324199810582E+03 0.20935E-03 -0.11505E-04 3839 0.309E-02 0.484E-02 RMM: 7 -0.324199840489E+03 -0.29907E-04 -0.59692E-05 3340 0.203E-02 0.893E-02 RMM: 8 -0.324199789237E+03 0.51252E-04 -0.46131E-05 3135 0.213E-02 0.323E-02 RMM: 9 -0.324199785200E+03 0.40373E-05 -0.13260E-05 2484 0.108E-02 7594 T= 7183. E= 0.68812118E+03 F= 0.62869970E+03 E0= 0.65721871E+03 EK= 0.59421E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323952313668E+03 0.24748E+00 -0.18972E-01 7764 0.249E+01 0.271E-01 RMM: 2 -0.323964875160E+03 -0.12561E-01 -0.85403E-02 5111 0.692E-01 0.951E-01 RMM: 3 -0.323958491791E+03 0.63834E-02 -0.89459E-03 5558 0.204E-01 0.197E-01 RMM: 4 -0.323958631827E+03 -0.14004E-03 -0.10654E-03 4698 0.772E-02 0.264E-01 RMM: 5 -0.323958209854E+03 0.42197E-03 -0.29461E-04 3925 0.437E-02 0.130E-01 RMM: 6 -0.323958123542E+03 0.86311E-04 -0.12031E-04 3842 0.308E-02 0.709E-02 RMM: 7 -0.323958179389E+03 -0.55847E-04 -0.76996E-05 3590 0.237E-02 0.118E-01 RMM: 8 -0.323958088775E+03 0.90615E-04 -0.41558E-05 3121 0.205E-02 0.284E-02 RMM: 9 -0.323958088740E+03 0.34670E-07 -0.12361E-05 2486 0.100E-02 7595 T= 7040. E= 0.68737286E+03 F= 0.62913570E+03 E0= 0.65770539E+03 EK= 0.58237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323743420467E+03 0.21467E+00 -0.18014E-01 7716 0.244E+01 0.251E-01 RMM: 2 -0.323755072290E+03 -0.11652E-01 -0.88512E-02 5124 0.709E-01 0.844E-01 RMM: 3 -0.323750060270E+03 0.50120E-02 -0.89950E-03 5765 0.194E-01 0.179E-01 RMM: 4 -0.323750104446E+03 -0.44177E-04 -0.84037E-04 4644 0.705E-02 0.241E-01 RMM: 5 -0.323749756208E+03 0.34824E-03 -0.31364E-04 4160 0.481E-02 0.122E-01 RMM: 6 -0.323749707641E+03 0.48568E-04 -0.14402E-04 3871 0.324E-02 0.920E-02 RMM: 7 -0.323749731840E+03 -0.24199E-04 -0.72236E-05 3564 0.243E-02 0.110E-01 RMM: 8 -0.323749654288E+03 0.77552E-04 -0.37935E-05 3082 0.194E-02 0.267E-02 RMM: 9 -0.323749657252E+03 -0.29643E-05 -0.11707E-05 2482 0.965E-03 7596 T= 6666. E= 0.68469011E+03 F= 0.62954460E+03 E0= 0.65817142E+03 EK= 0.55146E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323662068636E+03 0.87586E-01 -0.17440E-01 7668 0.236E+01 0.251E-01 RMM: 2 -0.323675505093E+03 -0.13436E-01 -0.97250E-02 5079 0.744E-01 0.909E-01 RMM: 3 -0.323669630558E+03 0.58745E-02 -0.10276E-02 5710 0.206E-01 0.183E-01 RMM: 4 -0.323669586939E+03 0.43619E-04 -0.92796E-04 4685 0.739E-02 0.221E-01 RMM: 5 -0.323669276349E+03 0.31059E-03 -0.35178E-04 4302 0.513E-02 0.114E-01 RMM: 6 -0.323669282359E+03 -0.60105E-05 -0.16409E-04 3879 0.337E-02 7597 T= 6231. E= 0.68138139E+03 F= 0.62983435E+03 E0= 0.65852149E+03 EK= 0.51547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323789003072E+03 -0.11973E+00 -0.16325E-01 7740 0.230E+01 0.404E-01 RMM: 2 -0.323820449390E+03 -0.31446E-01 -0.10339E-01 5146 0.789E-01 0.191E+00 RMM: 3 -0.323795890028E+03 0.24559E-01 -0.16133E-02 5362 0.309E-01 0.324E-01 RMM: 4 -0.323795364245E+03 0.52578E-03 -0.18612E-03 4821 0.899E-02 0.205E-01 RMM: 5 -0.323795350574E+03 0.13671E-04 -0.64762E-04 4607 0.691E-02 0.234E-01 RMM: 6 -0.323795048178E+03 0.30240E-03 -0.37516E-04 4180 0.517E-02 0.109E-01 RMM: 7 -0.323795142820E+03 -0.94642E-04 -0.18719E-04 3881 0.377E-02 0.160E-01 RMM: 8 -0.323794982026E+03 0.16079E-03 -0.10293E-04 3787 0.309E-02 0.510E-02 RMM: 9 -0.323794977687E+03 0.43395E-05 -0.20049E-05 2599 0.132E-02 7598 T= 5896. E= 0.67870061E+03 F= 0.62992758E+03 E0= 0.65867653E+03 EK= 0.48773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324167092323E+03 -0.37211E+00 -0.15463E-01 7740 0.226E+01 0.367E-01 RMM: 2 -0.324199316583E+03 -0.32224E-01 -0.10151E-01 5037 0.767E-01 0.191E+00 RMM: 3 -0.324174540049E+03 0.24777E-01 -0.15253E-02 5357 0.297E-01 0.374E-01 RMM: 4 -0.324173682564E+03 0.85748E-03 -0.20965E-03 4976 0.989E-02 0.178E-01 RMM: 5 -0.324173782598E+03 -0.10003E-03 -0.48725E-04 4500 0.579E-02 0.229E-01 RMM: 6 -0.324173422904E+03 0.35969E-03 -0.20093E-04 3878 0.381E-02 0.508E-02 RMM: 7 -0.324173498223E+03 -0.75319E-04 -0.10120E-04 3720 0.263E-02 0.119E-01 RMM: 8 -0.324173408977E+03 0.89246E-04 -0.48376E-05 3250 0.219E-02 0.311E-02 RMM: 9 -0.324173405170E+03 0.38075E-05 -0.83613E-06 2480 0.824E-03 7599 T= 5758. E= 0.67740811E+03 F= 0.62977602E+03 E0= 0.65858578E+03 EK= 0.47632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324807354609E+03 -0.63395E+00 -0.14865E-01 7776 0.226E+01 0.308E-01 RMM: 2 -0.324824451446E+03 -0.17097E-01 -0.86855E-02 5061 0.700E-01 0.125E+00 RMM: 3 -0.324813779367E+03 0.10672E-01 -0.10616E-02 5417 0.230E-01 0.269E-01 RMM: 4 -0.324813652374E+03 0.12699E-03 -0.14374E-03 4736 0.856E-02 0.248E-01 RMM: 5 -0.324813367810E+03 0.28456E-03 -0.43107E-04 4469 0.549E-02 0.177E-01 RMM: 6 -0.324813192064E+03 0.17575E-03 -0.18384E-04 3877 0.358E-02 0.835E-02 RMM: 7 -0.324813232871E+03 -0.40807E-04 -0.97753E-05 3735 0.278E-02 0.116E-01 RMM: 8 -0.324813148272E+03 0.84599E-04 -0.43905E-05 3217 0.206E-02 0.352E-02 RMM: 9 -0.324813146269E+03 0.20038E-05 -0.11964E-05 2494 0.989E-03 7600 T= 5850. E= 0.67775900E+03 F= 0.62936774E+03 E0= 0.65823676E+03 EK= 0.48391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325676406236E+03 -0.86326E+00 -0.15364E-01 7944 0.231E+01 0.302E-01 RMM: 2 -0.325689115981E+03 -0.12710E-01 -0.87364E-02 5040 0.710E-01 0.987E-01 RMM: 3 -0.325682655103E+03 0.64609E-02 -0.10178E-02 5566 0.212E-01 0.198E-01 RMM: 4 -0.325683077164E+03 -0.42206E-03 -0.12690E-03 4716 0.832E-02 0.344E-01 RMM: 5 -0.325682394416E+03 0.68275E-03 -0.40039E-04 4215 0.512E-02 0.153E-01 RMM: 6 -0.325682250632E+03 0.14378E-03 -0.15581E-04 3866 0.337E-02 0.600E-02 RMM: 7 -0.325682303841E+03 -0.53209E-04 -0.66794E-05 3457 0.224E-02 0.109E-01 RMM: 8 -0.325682227587E+03 0.76254E-04 -0.35623E-05 3024 0.194E-02 0.241E-02 RMM: 9 -0.325682230517E+03 -0.29293E-05 -0.10867E-05 2481 0.933E-03 7601 T= 6145. E= 0.67957044E+03 F= 0.62873097E+03 E0= 0.65765561E+03 EK= 0.50839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326701032122E+03 -0.10188E+01 -0.16562E-01 7896 0.238E+01 0.300E-01 RMM: 2 -0.326713203715E+03 -0.12172E-01 -0.95925E-02 4999 0.740E-01 0.875E-01 RMM: 3 -0.326708231002E+03 0.49727E-02 -0.10749E-02 5643 0.207E-01 0.220E-01 RMM: 4 -0.326708583411E+03 -0.35241E-03 -0.14483E-03 4844 0.919E-02 0.346E-01 RMM: 5 -0.326707834483E+03 0.74893E-03 -0.46976E-04 4308 0.558E-02 0.134E-01 RMM: 6 -0.326707727688E+03 0.10679E-03 -0.11060E-04 3769 0.283E-02 0.594E-02 RMM: 7 -0.326707769658E+03 -0.41970E-04 -0.69322E-05 3495 0.227E-02 0.103E-01 RMM: 8 -0.326707701571E+03 0.68087E-04 -0.37207E-05 3056 0.194E-02 0.292E-02 RMM: 9 -0.326707700840E+03 0.73101E-06 -0.11265E-05 2484 0.951E-03 7602 T= 6558. E= 0.68218798E+03 F= 0.62793607E+03 E0= 0.65691020E+03 EK= 0.54252E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327776939337E+03 -0.10692E+01 -0.18060E-01 8088 0.246E+01 0.311E-01 RMM: 2 -0.327789861488E+03 -0.12922E-01 -0.10667E-01 5017 0.771E-01 0.866E-01 RMM: 3 -0.327784943238E+03 0.49183E-02 -0.11591E-02 5656 0.213E-01 0.232E-01 RMM: 4 -0.327785536182E+03 -0.59294E-03 -0.14755E-03 4864 0.936E-02 0.400E-01 RMM: 5 -0.327784485515E+03 0.10507E-02 -0.49802E-04 4359 0.575E-02 0.123E-01 RMM: 6 -0.327784395380E+03 0.90135E-04 -0.11451E-04 3785 0.282E-02 0.580E-02 RMM: 7 -0.327784435780E+03 -0.40400E-04 -0.61961E-05 3429 0.214E-02 0.104E-01 RMM: 8 -0.327784367463E+03 0.68317E-04 -0.34745E-05 2971 0.183E-02 0.296E-02 RMM: 9 -0.327784369564E+03 -0.21009E-05 -0.13710E-05 2491 0.106E-02 7603 T= 6937. E= 0.68447875E+03 F= 0.62708780E+03 E0= 0.65610272E+03 EK= 0.57391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328787787303E+03 -0.10034E+01 -0.18991E-01 8004 0.251E+01 0.316E-01 RMM: 2 -0.328801045742E+03 -0.13258E-01 -0.11024E-01 5051 0.777E-01 0.863E-01 RMM: 3 -0.328796006914E+03 0.50388E-02 -0.11982E-02 5639 0.216E-01 0.216E-01 RMM: 4 -0.328796513038E+03 -0.50612E-03 -0.14982E-03 4870 0.938E-02 0.380E-01 RMM: 5 -0.328795602773E+03 0.91026E-03 -0.48159E-04 4339 0.562E-02 0.139E-01 RMM: 6 -0.328795486828E+03 0.11595E-03 -0.11185E-04 3783 0.278E-02 0.568E-02 RMM: 7 -0.328795529902E+03 -0.43074E-04 -0.66083E-05 3474 0.220E-02 0.105E-01 RMM: 8 -0.328795457571E+03 0.72331E-04 -0.39833E-05 3062 0.194E-02 0.239E-02 RMM: 9 -0.328795463715E+03 -0.61443E-05 -0.14941E-05 2501 0.111E-02 7604 T= 7117. E= 0.68517806E+03 F= 0.62630497E+03 E0= 0.65534959E+03 EK= 0.58873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329640633605E+03 -0.84518E+00 -0.18900E-01 8304 0.252E+01 0.299E-01 RMM: 2 -0.329653348288E+03 -0.12715E-01 -0.11449E-01 5019 0.774E-01 0.752E-01 RMM: 3 -0.329649467693E+03 0.38806E-02 -0.12320E-02 5793 0.207E-01 0.223E-01 RMM: 4 -0.329649960768E+03 -0.49308E-03 -0.13988E-03 4886 0.918E-02 0.390E-01 RMM: 5 -0.329648975447E+03 0.98532E-03 -0.51002E-04 4411 0.588E-02 0.116E-01 RMM: 6 -0.329648902825E+03 0.72622E-04 -0.10695E-04 3753 0.271E-02 0.638E-02 RMM: 7 -0.329648948793E+03 -0.45968E-04 -0.65655E-05 3468 0.219E-02 0.111E-01 RMM: 8 -0.329648872068E+03 0.76725E-04 -0.37761E-05 3055 0.191E-02 0.282E-02 RMM: 9 -0.329648874329E+03 -0.22609E-05 -0.13121E-05 2493 0.102E-02 7605 T= 7005. E= 0.68363030E+03 F= 0.62568345E+03 E0= 0.65474585E+03 EK= 0.57947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330298686956E+03 -0.64981E+00 -0.19470E-01 8088 0.248E+01 0.290E-01 RMM: 2 -0.330312156556E+03 -0.13470E-01 -0.12079E-01 4879 0.794E-01 0.749E-01 RMM: 3 -0.330308039812E+03 0.41167E-02 -0.13113E-02 5790 0.218E-01 0.192E-01 RMM: 4 -0.330308450789E+03 -0.41098E-03 -0.13449E-03 4904 0.898E-02 0.361E-01 RMM: 5 -0.330307640709E+03 0.81008E-03 -0.48632E-04 4491 0.578E-02 0.129E-01 RMM: 6 -0.330307560717E+03 0.79992E-04 -0.13001E-04 3855 0.299E-02 0.756E-02 RMM: 7 -0.330307609903E+03 -0.49186E-04 -0.71383E-05 3543 0.236E-02 0.116E-01 RMM: 8 -0.330307523053E+03 0.86851E-04 -0.39358E-05 3111 0.196E-02 0.250E-02 RMM: 9 -0.330307526885E+03 -0.38322E-05 -0.11904E-05 2487 0.971E-03 7606 T= 6652. E= 0.68029428E+03 F= 0.62526450E+03 E0= 0.65433389E+03 EK= 0.55030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330782247826E+03 -0.47472E+00 -0.18250E-01 8004 0.242E+01 0.270E-01 RMM: 2 -0.330793607163E+03 -0.11359E-01 -0.10268E-01 4871 0.731E-01 0.677E-01 RMM: 3 -0.330790163660E+03 0.34435E-02 -0.11043E-02 5703 0.207E-01 0.216E-01 RMM: 4 -0.330790521815E+03 -0.35816E-03 -0.12916E-03 4897 0.898E-02 0.352E-01 RMM: 5 -0.330789760678E+03 0.76114E-03 -0.52106E-04 4537 0.605E-02 0.131E-01 RMM: 6 -0.330789691641E+03 0.69036E-04 -0.14798E-04 3880 0.321E-02 0.873E-02 RMM: 7 -0.330789718952E+03 -0.27311E-04 -0.76458E-05 3585 0.253E-02 0.110E-01 RMM: 8 -0.330789643158E+03 0.75794E-04 -0.37138E-05 3102 0.191E-02 0.292E-02 RMM: 9 -0.330789645717E+03 -0.25591E-05 -0.11500E-05 2485 0.972E-03 7607 T= 6212. E= 0.67642095E+03 F= 0.62503289E+03 E0= 0.65410109E+03 EK= 0.51388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331135056527E+03 -0.34541E+00 -0.17828E-01 7776 0.235E+01 0.287E-01 RMM: 2 -0.331148813215E+03 -0.13757E-01 -0.10736E-01 4836 0.756E-01 0.881E-01 RMM: 3 -0.331143262575E+03 0.55506E-02 -0.12033E-02 5758 0.216E-01 0.198E-01 RMM: 4 -0.331143497913E+03 -0.23534E-03 -0.13222E-03 4833 0.891E-02 0.326E-01 RMM: 5 -0.331142929229E+03 0.56868E-03 -0.55779E-04 4599 0.641E-02 0.170E-01 RMM: 6 -0.331142786155E+03 0.14307E-03 -0.19708E-04 3884 0.368E-02 0.913E-02 RMM: 7 -0.331142828875E+03 -0.42719E-04 -0.10400E-04 3753 0.298E-02 0.121E-01 RMM: 8 -0.331142734958E+03 0.93917E-04 -0.47805E-05 3267 0.211E-02 0.308E-02 RMM: 9 -0.331142738034E+03 -0.30765E-05 -0.12429E-05 2497 0.103E-02 7608 T= 5843. E= 0.67328246E+03 F= 0.62494175E+03 E0= 0.65400288E+03 EK= 0.48341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331403086016E+03 -0.26035E+00 -0.17753E-01 7572 0.230E+01 0.280E-01 RMM: 2 -0.331416317801E+03 -0.13232E-01 -0.11320E-01 4837 0.769E-01 0.767E-01 RMM: 3 -0.331411919892E+03 0.43979E-02 -0.12463E-02 5798 0.216E-01 0.220E-01 RMM: 4 -0.331412118410E+03 -0.19852E-03 -0.13676E-03 4922 0.924E-02 0.328E-01 RMM: 5 -0.331411458530E+03 0.65988E-03 -0.59058E-04 4575 0.655E-02 0.140E-01 RMM: 6 -0.331411392292E+03 0.66238E-04 -0.17258E-04 3883 0.345E-02 0.101E-01 RMM: 7 -0.331411404721E+03 -0.12428E-04 -0.91452E-05 3780 0.282E-02 7609 T= 5652. E= 0.67170268E+03 F= 0.62494415E+03 E0= 0.65399422E+03 EK= 0.46759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331614633396E+03 -0.20324E+00 -0.16700E-01 7968 0.230E+01 0.304E-01 RMM: 2 -0.331625115312E+03 -0.10482E-01 -0.95205E-02 4944 0.687E-01 0.694E-01 RMM: 3 -0.331621570096E+03 0.35452E-02 -0.99108E-03 5794 0.190E-01 0.217E-01 RMM: 4 -0.331622087018E+03 -0.51692E-03 -0.14843E-03 4866 0.984E-02 0.398E-01 RMM: 5 -0.331621105472E+03 0.98155E-03 -0.65871E-04 4603 0.690E-02 0.136E-01 RMM: 6 -0.331621076007E+03 0.29465E-04 -0.20371E-04 3883 0.367E-02 0.124E-01 RMM: 7 -0.331621021117E+03 0.54890E-04 -0.10111E-04 3804 0.309E-02 0.857E-02 RMM: 8 -0.331620977863E+03 0.43254E-04 -0.31952E-05 3013 0.173E-02 0.313E-02 RMM: 9 -0.331620991570E+03 -0.13707E-04 -0.15871E-05 2513 0.116E-02 7610 T= 5683. E= 0.67202476E+03 F= 0.62501013E+03 E0= 0.65404714E+03 EK= 0.47015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331767032523E+03 -0.14605E+00 -0.16931E-01 7932 0.233E+01 0.258E-01 RMM: 2 -0.331778802377E+03 -0.11770E-01 -0.10435E-01 4979 0.709E-01 0.698E-01 RMM: 3 -0.331774975189E+03 0.38272E-02 -0.10723E-02 5731 0.198E-01 0.198E-01 RMM: 4 -0.331775285773E+03 -0.31058E-03 -0.11106E-03 4710 0.815E-02 0.328E-01 RMM: 5 -0.331774614216E+03 0.67156E-03 -0.37507E-04 4171 0.502E-02 0.124E-01 RMM: 6 -0.331774530486E+03 0.83731E-04 -0.13560E-04 3871 0.317E-02 0.625E-02 RMM: 7 -0.331774575026E+03 -0.44540E-04 -0.48242E-05 3205 0.197E-02 0.105E-01 RMM: 8 -0.331774502384E+03 0.72641E-04 -0.29939E-05 2856 0.180E-02 0.207E-02 RMM: 9 -0.331774503392E+03 -0.10080E-05 -0.78229E-06 2463 0.780E-03 7611 T= 5932. E= 0.67420100E+03 F= 0.62513124E+03 E0= 0.65415341E+03 EK= 0.49070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331855988050E+03 -0.81486E-01 -0.17451E-01 8280 0.239E+01 0.309E-01 RMM: 2 -0.331865996268E+03 -0.10008E-01 -0.89689E-02 5200 0.664E-01 0.738E-01 RMM: 3 -0.331862026472E+03 0.39698E-02 -0.83617E-03 5710 0.182E-01 0.219E-01 RMM: 4 -0.331862593916E+03 -0.56744E-03 -0.13517E-03 4703 0.904E-02 0.396E-01 RMM: 5 -0.331861612951E+03 0.98097E-03 -0.55452E-04 4531 0.614E-02 0.141E-01 RMM: 6 -0.331861518712E+03 0.94239E-04 -0.15082E-04 3882 0.319E-02 0.852E-02 RMM: 7 -0.331861568463E+03 -0.49751E-04 -0.93400E-05 3741 0.265E-02 0.124E-01 RMM: 8 -0.331861466955E+03 0.10151E-03 -0.47726E-05 3256 0.208E-02 0.266E-02 RMM: 9 -0.331861469646E+03 -0.26909E-05 -0.12722E-05 2492 0.101E-02 7612 T= 6341. E= 0.67776790E+03 F= 0.62531359E+03 E0= 0.65431948E+03 EK= 0.52454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331868737366E+03 -0.72704E-02 -0.17930E-01 8400 0.247E+01 0.306E-01 RMM: 2 -0.331880120172E+03 -0.11383E-01 -0.89789E-02 5247 0.670E-01 0.846E-01 RMM: 3 -0.331874927919E+03 0.51923E-02 -0.85048E-03 5555 0.188E-01 0.223E-01 RMM: 4 -0.331875467355E+03 -0.53944E-03 -0.13641E-03 4704 0.896E-02 0.382E-01 RMM: 5 -0.331874521925E+03 0.94543E-03 -0.50748E-04 4348 0.577E-02 0.121E-01 RMM: 6 -0.331874459661E+03 0.62264E-04 -0.13391E-04 3867 0.304E-02 0.806E-02 RMM: 7 -0.331874502788E+03 -0.43127E-04 -0.71715E-05 3559 0.229E-02 0.115E-01 RMM: 8 -0.331874415426E+03 0.87362E-04 -0.39256E-05 3090 0.194E-02 0.226E-02 RMM: 9 -0.331874420981E+03 -0.55541E-05 -0.11930E-05 2489 0.969E-03 7613 T= 6791. E= 0.68174345E+03 F= 0.62556285E+03 E0= 0.65455148E+03 EK= 0.56181E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331823512000E+03 0.50903E-01 -0.18653E-01 8184 0.253E+01 0.312E-01 RMM: 2 -0.331838171086E+03 -0.14659E-01 -0.11162E-01 5211 0.750E-01 0.959E-01 RMM: 3 -0.331831582108E+03 0.65890E-02 -0.10992E-02 5635 0.206E-01 0.212E-01 RMM: 4 -0.331832056526E+03 -0.47442E-03 -0.15150E-03 4801 0.946E-02 0.373E-01 RMM: 5 -0.331831195833E+03 0.86069E-03 -0.48085E-04 4318 0.564E-02 0.148E-01 RMM: 6 -0.331831075109E+03 0.12072E-03 -0.14255E-04 3873 0.315E-02 0.734E-02 RMM: 7 -0.331831134136E+03 -0.59027E-04 -0.89923E-05 3722 0.255E-02 0.121E-01 RMM: 8 -0.331831035537E+03 0.98599E-04 -0.45388E-05 3210 0.205E-02 0.232E-02 RMM: 9 -0.331831039532E+03 -0.39945E-05 -0.13099E-05 2496 0.102E-02 7614 T= 7116. E= 0.68473314E+03 F= 0.62586263E+03 E0= 0.65483443E+03 EK= 0.58871E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331780183432E+03 0.50852E-01 -0.18224E-01 8184 0.255E+01 0.297E-01 RMM: 2 -0.331791965325E+03 -0.11782E-01 -0.10177E-01 5199 0.724E-01 0.772E-01 RMM: 3 -0.331787576684E+03 0.43886E-02 -0.99347E-03 5638 0.198E-01 0.226E-01 RMM: 4 -0.331788043136E+03 -0.46645E-03 -0.13276E-03 4786 0.892E-02 0.373E-01 RMM: 5 -0.331787127982E+03 0.91515E-03 -0.46937E-04 4265 0.552E-02 0.116E-01 RMM: 6 -0.331787085562E+03 0.42420E-04 -0.14559E-04 3884 0.322E-02 0.907E-02 RMM: 7 -0.331787116472E+03 -0.30910E-04 -0.72753E-05 3585 0.233E-02 0.116E-01 RMM: 8 -0.331787028195E+03 0.88277E-04 -0.38616E-05 3076 0.192E-02 0.259E-02 RMM: 9 -0.331787031049E+03 -0.28545E-05 -0.12464E-05 2487 0.100E-02 7615 T= 7176. E= 0.68552418E+03 F= 0.62616109E+03 E0= 0.65511769E+03 EK= 0.59363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331819556576E+03 -0.32528E-01 -0.17699E-01 7908 0.252E+01 0.299E-01 RMM: 2 -0.331833019808E+03 -0.13463E-01 -0.10080E-01 5036 0.744E-01 0.932E-01 RMM: 3 -0.331826930538E+03 0.60893E-02 -0.10645E-02 5626 0.207E-01 0.209E-01 RMM: 4 -0.331827292483E+03 -0.36195E-03 -0.14027E-03 4815 0.924E-02 0.347E-01 RMM: 5 -0.331826574726E+03 0.71776E-03 -0.49721E-04 4481 0.582E-02 0.152E-01 RMM: 6 -0.331826463819E+03 0.11091E-03 -0.17260E-04 3892 0.347E-02 0.870E-02 RMM: 7 -0.331826517475E+03 -0.53656E-04 -0.95961E-05 3758 0.271E-02 0.124E-01 RMM: 8 -0.331826415496E+03 0.10198E-03 -0.48825E-05 3257 0.211E-02 0.292E-02 RMM: 9 -0.331826416678E+03 -0.11820E-05 -0.12659E-05 2494 0.103E-02 7616 T= 6949. E= 0.68386380E+03 F= 0.62637934E+03 E0= 0.65532451E+03 EK= 0.57484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332024839956E+03 -0.19842E+00 -0.16768E-01 7992 0.246E+01 0.292E-01 RMM: 2 -0.332037396588E+03 -0.12557E-01 -0.85419E-02 5055 0.689E-01 0.951E-01 RMM: 3 -0.332030920246E+03 0.64763E-02 -0.88988E-03 5476 0.196E-01 0.204E-01 RMM: 4 -0.332031415233E+03 -0.49499E-03 -0.13929E-03 4820 0.926E-02 0.362E-01 RMM: 5 -0.332030611034E+03 0.80420E-03 -0.55604E-04 4549 0.625E-02 0.138E-01 RMM: 6 -0.332030539375E+03 0.71658E-04 -0.18013E-04 3886 0.348E-02 0.971E-02 RMM: 7 -0.332030566196E+03 -0.26820E-04 -0.86382E-05 3683 0.269E-02 0.116E-01 RMM: 8 -0.332030477693E+03 0.88503E-04 -0.41687E-05 3180 0.198E-02 0.256E-02 RMM: 9 -0.332030485066E+03 -0.73728E-05 -0.11779E-05 2496 0.969E-03 7617 T= 6549. E= 0.68061575E+03 F= 0.62644078E+03 E0= 0.65537919E+03 EK= 0.54175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332439613982E+03 -0.40914E+00 -0.15736E-01 8160 0.239E+01 0.300E-01 RMM: 2 -0.332451182435E+03 -0.11568E-01 -0.81067E-02 5076 0.676E-01 0.942E-01 RMM: 3 -0.332445199508E+03 0.59829E-02 -0.84936E-03 5506 0.191E-01 0.222E-01 RMM: 4 -0.332445489050E+03 -0.28954E-03 -0.13861E-03 4773 0.924E-02 0.330E-01 RMM: 5 -0.332444884957E+03 0.60409E-03 -0.57746E-04 4598 0.648E-02 0.169E-01 RMM: 6 -0.332444734820E+03 0.15014E-03 -0.19497E-04 3886 0.368E-02 0.851E-02 RMM: 7 -0.332444776475E+03 -0.41655E-04 -0.88749E-05 3707 0.277E-02 0.116E-01 RMM: 8 -0.332444688788E+03 0.87687E-04 -0.40503E-05 3144 0.197E-02 0.285E-02 RMM: 9 -0.332444693630E+03 -0.48417E-05 -0.13407E-05 2494 0.107E-02 7618 T= 6143. E= 0.67711991E+03 F= 0.62630272E+03 E0= 0.65523993E+03 EK= 0.50817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333062558961E+03 -0.61787E+00 -0.15012E-01 8280 0.233E+01 0.303E-01 RMM: 2 -0.333072405509E+03 -0.98465E-02 -0.74603E-02 5051 0.641E-01 0.840E-01 RMM: 3 -0.333067504314E+03 0.49012E-02 -0.78167E-03 5494 0.184E-01 0.208E-01 RMM: 4 -0.333068151560E+03 -0.64725E-03 -0.14716E-03 4819 0.960E-02 0.395E-01 RMM: 5 -0.333067163963E+03 0.98760E-03 -0.65533E-04 4587 0.687E-02 0.126E-01 RMM: 6 -0.333067116757E+03 0.47206E-04 -0.16446E-04 3882 0.330E-02 0.993E-02 RMM: 7 -0.333067123672E+03 -0.69154E-05 -0.77751E-05 3618 0.259E-02 7619 T= 5864. E= 0.67447700E+03 F= 0.62596701E+03 E0= 0.65490792E+03 EK= 0.48510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333848786110E+03 -0.78167E+00 -0.14933E-01 8304 0.231E+01 0.339E-01 RMM: 2 -0.333856949855E+03 -0.81637E-02 -0.72767E-02 5056 0.637E-01 0.743E-01 RMM: 3 -0.333853415867E+03 0.35340E-02 -0.78092E-03 5548 0.183E-01 0.262E-01 RMM: 4 -0.333854178155E+03 -0.76229E-03 -0.16884E-03 4828 0.102E-01 0.451E-01 RMM: 5 -0.333852871881E+03 0.13063E-02 -0.80811E-04 4608 0.760E-02 0.129E-01 RMM: 6 -0.333852849423E+03 0.22458E-04 -0.18579E-04 3884 0.348E-02 0.121E-01 RMM: 7 -0.333852830362E+03 0.19062E-04 -0.91148E-05 3758 0.279E-02 7620 T= 5779. E= 0.67328509E+03 F= 0.62547577E+03 E0= 0.65442562E+03 EK= 0.47809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334722080896E+03 -0.86923E+00 -0.15755E-01 8016 0.232E+01 0.329E-01 RMM: 2 -0.334731936254E+03 -0.98554E-02 -0.86387E-02 5004 0.694E-01 0.787E-01 RMM: 3 -0.334727944738E+03 0.39915E-02 -0.97332E-03 5652 0.199E-01 0.253E-01 RMM: 4 -0.334728528757E+03 -0.58402E-03 -0.15248E-03 4791 0.954E-02 0.416E-01 RMM: 5 -0.334727463302E+03 0.10655E-02 -0.65173E-04 4575 0.670E-02 0.149E-01 RMM: 6 -0.334727344685E+03 0.11862E-03 -0.17766E-04 3890 0.345E-02 0.771E-02 RMM: 7 -0.334727387075E+03 -0.42390E-04 -0.71574E-05 3562 0.239E-02 0.111E-01 RMM: 8 -0.334727308748E+03 0.78327E-04 -0.33610E-05 3000 0.182E-02 0.304E-02 RMM: 9 -0.334727313784E+03 -0.50355E-05 -0.15413E-05 2497 0.110E-02 7621 T= 5898. E= 0.67368950E+03 F= 0.62489898E+03 E0= 0.65386115E+03 EK= 0.48791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335590928187E+03 -0.86362E+00 -0.16639E-01 8220 0.237E+01 0.333E-01 RMM: 2 -0.335601855020E+03 -0.10927E-01 -0.82134E-02 5110 0.673E-01 0.928E-01 RMM: 3 -0.335596121007E+03 0.57340E-02 -0.89448E-03 5594 0.195E-01 0.206E-01 RMM: 4 -0.335597015965E+03 -0.89496E-03 -0.15435E-03 4704 0.939E-02 0.452E-01 RMM: 5 -0.335595718180E+03 0.12978E-02 -0.65528E-04 4580 0.677E-02 0.109E-01 RMM: 6 -0.335595669615E+03 0.48565E-04 -0.12085E-04 3848 0.279E-02 0.789E-02 RMM: 7 -0.335595686354E+03 -0.16738E-04 -0.57797E-05 3380 0.209E-02 7622 T= 6179. E= 0.67544589E+03 F= 0.62432700E+03 E0= 0.65330492E+03 EK= 0.51119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336349496533E+03 -0.75383E+00 -0.17927E-01 7956 0.243E+01 0.366E-01 RMM: 2 -0.336360760453E+03 -0.11264E-01 -0.95499E-02 5069 0.725E-01 0.872E-01 RMM: 3 -0.336355851764E+03 0.49087E-02 -0.10660E-02 5614 0.210E-01 0.259E-01 RMM: 4 -0.336356711925E+03 -0.86016E-03 -0.17454E-03 4817 0.100E-01 0.477E-01 RMM: 5 -0.336355254485E+03 0.14574E-02 -0.79620E-04 4607 0.749E-02 0.135E-01 RMM: 6 -0.336355188515E+03 0.65971E-04 -0.16661E-04 3876 0.321E-02 0.102E-01 RMM: 7 -0.336355206483E+03 -0.17969E-04 -0.90517E-05 3776 0.257E-02 7623 T= 6533. E= 0.67790756E+03 F= 0.62385968E+03 E0= 0.65285581E+03 EK= 0.54048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336909097429E+03 -0.55391E+00 -0.19264E-01 7932 0.249E+01 0.346E-01 RMM: 2 -0.336919971785E+03 -0.10874E-01 -0.94734E-02 5086 0.725E-01 0.852E-01 RMM: 3 -0.336915400798E+03 0.45710E-02 -0.10433E-02 5638 0.211E-01 0.225E-01 RMM: 4 -0.336916117534E+03 -0.71674E-03 -0.14718E-03 4715 0.905E-02 0.429E-01 RMM: 5 -0.336914971574E+03 0.11460E-02 -0.64784E-04 4582 0.672E-02 0.142E-01 RMM: 6 -0.336914875544E+03 0.96030E-04 -0.16304E-04 3886 0.320E-02 0.840E-02 RMM: 7 -0.336914914546E+03 -0.39002E-04 -0.81006E-05 3674 0.251E-02 0.113E-01 RMM: 8 -0.336914834689E+03 0.79856E-04 -0.38942E-05 3093 0.192E-02 0.337E-02 RMM: 9 -0.336914838664E+03 -0.39750E-05 -0.15093E-05 2509 0.109E-02 7624 T= 6830. E= 0.68008982E+03 F= 0.62358772E+03 E0= 0.65260377E+03 EK= 0.56502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337211136791E+03 -0.29630E+00 -0.20772E-01 7956 0.252E+01 0.322E-01 RMM: 2 -0.337223913916E+03 -0.12777E-01 -0.11146E-01 5006 0.774E-01 0.822E-01 RMM: 3 -0.337219307923E+03 0.46060E-02 -0.11894E-02 5689 0.215E-01 0.213E-01 RMM: 4 -0.337220054160E+03 -0.74624E-03 -0.14234E-03 4840 0.904E-02 0.437E-01 RMM: 5 -0.337218829946E+03 0.12242E-02 -0.61139E-04 4589 0.660E-02 0.114E-01 RMM: 6 -0.337218780819E+03 0.49127E-04 -0.15822E-04 3878 0.320E-02 0.852E-02 RMM: 7 -0.337218791394E+03 -0.10575E-04 -0.62721E-05 3431 0.225E-02 7625 T= 6944. E= 0.68101784E+03 F= 0.62356910E+03 E0= 0.65260561E+03 EK= 0.57449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337261500422E+03 -0.42720E-01 -0.20228E-01 7764 0.251E+01 0.337E-01 RMM: 2 -0.337273052561E+03 -0.11552E-01 -0.10467E-01 5142 0.747E-01 0.790E-01 RMM: 3 -0.337268871522E+03 0.41810E-02 -0.10785E-02 5686 0.205E-01 0.229E-01 RMM: 4 -0.337269568923E+03 -0.69740E-03 -0.14863E-03 4810 0.940E-02 0.432E-01 RMM: 5 -0.337268333545E+03 0.12354E-02 -0.67720E-04 4605 0.689E-02 0.119E-01 RMM: 6 -0.337268356060E+03 -0.22515E-04 -0.21441E-04 3880 0.370E-02 0.139E-01 RMM: 7 -0.337268281162E+03 0.74898E-04 -0.87738E-05 3684 0.283E-02 0.894E-02 RMM: 8 -0.337268233023E+03 0.48139E-04 -0.28800E-05 2910 0.164E-02 0.327E-02 RMM: 9 -0.337268247047E+03 -0.14024E-04 -0.17804E-05 2530 0.120E-02 7626 T= 6826. E= 0.68027569E+03 F= 0.62380635E+03 E0= 0.65286426E+03 EK= 0.56469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337111166127E+03 0.15707E+00 -0.20924E-01 7788 0.246E+01 0.279E-01 RMM: 2 -0.337122556057E+03 -0.11390E-01 -0.11185E-01 5163 0.746E-01 0.608E-01 RMM: 3 -0.337119467222E+03 0.30888E-02 -0.99857E-03 5677 0.192E-01 0.204E-01 RMM: 4 -0.337119954826E+03 -0.48760E-03 -0.11821E-03 4800 0.873E-02 0.378E-01 RMM: 5 -0.337119036900E+03 0.91793E-03 -0.47220E-04 4484 0.575E-02 0.968E-02 RMM: 6 -0.337119063600E+03 -0.26700E-04 -0.17701E-04 3882 0.344E-02 0.118E-01 RMM: 7 -0.337119006826E+03 0.56774E-04 -0.63765E-05 3431 0.248E-02 0.740E-02 RMM: 8 -0.337118973501E+03 0.33326E-04 -0.18577E-05 2569 0.134E-02 0.230E-02 RMM: 9 -0.337118982686E+03 -0.91856E-05 -0.10503E-05 2471 0.914E-03 7627 T= 6532. E= 0.67828387E+03 F= 0.62424746E+03 E0= 0.65332689E+03 EK= 0.54036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336852268620E+03 0.26670E+00 -0.20063E-01 7848 0.240E+01 0.294E-01 RMM: 2 -0.336862439539E+03 -0.10171E-01 -0.10251E-01 5060 0.728E-01 0.581E-01 RMM: 3 -0.336859842571E+03 0.25970E-02 -0.98663E-03 5725 0.194E-01 0.235E-01 RMM: 4 -0.336860288852E+03 -0.44628E-03 -0.13697E-03 4889 0.948E-02 0.386E-01 RMM: 5 -0.336859317795E+03 0.97106E-03 -0.63261E-04 4602 0.667E-02 0.122E-01 RMM: 6 -0.336859324364E+03 -0.65692E-05 -0.21787E-04 3908 0.384E-02 0.130E-01 RMM: 7 -0.336859271953E+03 0.52411E-04 -0.88921E-05 3705 0.292E-02 0.974E-02 RMM: 8 -0.336859213045E+03 0.58908E-04 -0.31521E-05 3010 0.171E-02 0.320E-02 RMM: 9 -0.336859222063E+03 -0.90183E-05 -0.16159E-05 2505 0.116E-02 7628 T= 6188. E= 0.67600116E+03 F= 0.62480650E+03 E0= 0.65390711E+03 EK= 0.51195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336571641660E+03 0.28757E+00 -0.18918E-01 8016 0.233E+01 0.299E-01 RMM: 2 -0.336581937576E+03 -0.10296E-01 -0.89824E-02 5113 0.684E-01 0.740E-01 RMM: 3 -0.336577828003E+03 0.41096E-02 -0.86684E-03 5690 0.190E-01 0.205E-01 RMM: 4 -0.336578442800E+03 -0.61480E-03 -0.13928E-03 4857 0.959E-02 0.398E-01 RMM: 5 -0.336577420730E+03 0.10221E-02 -0.61460E-04 4589 0.659E-02 0.108E-01 RMM: 6 -0.336577465674E+03 -0.44944E-04 -0.18921E-04 3872 0.353E-02 0.139E-01 RMM: 7 -0.336577397423E+03 0.68251E-04 -0.82973E-05 3632 0.279E-02 0.949E-02 RMM: 8 -0.336577341192E+03 0.56231E-04 -0.31295E-05 2999 0.171E-02 0.267E-02 RMM: 9 -0.336577355028E+03 -0.13836E-04 -0.15508E-05 2507 0.114E-02 7629 T= 5922. E= 0.67438203E+03 F= 0.62539489E+03 E0= 0.65451634E+03 EK= 0.48987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336334221403E+03 0.24312E+00 -0.17866E-01 8136 0.229E+01 0.301E-01 RMM: 2 -0.336342986746E+03 -0.87653E-02 -0.82901E-02 5106 0.655E-01 0.661E-01 RMM: 3 -0.336339783570E+03 0.32032E-02 -0.76326E-03 5677 0.183E-01 0.234E-01 RMM: 4 -0.336340301100E+03 -0.51753E-03 -0.14055E-03 4781 0.950E-02 0.385E-01 RMM: 5 -0.336339365129E+03 0.93597E-03 -0.64051E-04 4592 0.672E-02 0.139E-01 RMM: 6 -0.336339303187E+03 0.61942E-04 -0.18726E-04 3877 0.356E-02 0.105E-01 RMM: 7 -0.336339300663E+03 0.25242E-05 -0.76277E-05 3606 0.266E-02 7630 T= 5815. E= 0.67404674E+03 F= 0.62594400E+03 E0= 0.65508637E+03 EK= 0.48103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336176879674E+03 0.16242E+00 -0.17093E-01 8388 0.229E+01 0.339E-01 RMM: 2 -0.336185493711E+03 -0.86140E-02 -0.83346E-02 5197 0.652E-01 0.676E-01 RMM: 3 -0.336182344330E+03 0.31494E-02 -0.78722E-03 5511 0.187E-01 0.289E-01 RMM: 4 -0.336183131449E+03 -0.78712E-03 -0.15821E-03 4833 0.987E-02 0.465E-01 RMM: 5 -0.336181666072E+03 0.14654E-02 -0.78627E-04 4599 0.737E-02 0.893E-02 RMM: 6 -0.336181772325E+03 -0.10625E-03 -0.20551E-04 3886 0.366E-02 0.158E-01 RMM: 7 -0.336181658134E+03 0.11419E-03 -0.83775E-05 3630 0.272E-02 0.894E-02 RMM: 8 -0.336181611000E+03 0.47134E-04 -0.37299E-05 3062 0.181E-02 0.324E-02 RMM: 9 -0.336181629537E+03 -0.18536E-04 -0.19653E-05 2549 0.130E-02 7631 T= 5900. E= 0.67522215E+03 F= 0.62641287E+03 E0= 0.65557484E+03 EK= 0.48809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336106428537E+03 0.75182E-01 -0.18136E-01 8520 0.231E+01 0.290E-01 RMM: 2 -0.336116651717E+03 -0.10223E-01 -0.93033E-02 5112 0.685E-01 0.706E-01 RMM: 3 -0.336112948078E+03 0.37036E-02 -0.85685E-03 5574 0.191E-01 0.211E-01 RMM: 4 -0.336113609538E+03 -0.66146E-03 -0.12470E-03 4744 0.868E-02 0.398E-01 RMM: 5 -0.336112582985E+03 0.10266E-02 -0.49938E-04 4493 0.585E-02 0.112E-01 RMM: 6 -0.336112521929E+03 0.61055E-04 -0.13323E-04 3870 0.302E-02 0.647E-02 RMM: 7 -0.336112537497E+03 -0.15567E-04 -0.38052E-05 3061 0.185E-02 7632 T= 6161. E= 0.67775444E+03 F= 0.62678885E+03 E0= 0.65596872E+03 EK= 0.50966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336107174316E+03 0.53476E-02 -0.18416E-01 8724 0.237E+01 0.345E-01 RMM: 2 -0.336116003967E+03 -0.88297E-02 -0.89447E-02 5303 0.676E-01 0.659E-01 RMM: 3 -0.336113108136E+03 0.28958E-02 -0.79921E-03 5581 0.188E-01 0.300E-01 RMM: 4 -0.336113837888E+03 -0.72975E-03 -0.15188E-03 4770 0.957E-02 0.463E-01 RMM: 5 -0.336112368908E+03 0.14690E-02 -0.73232E-04 4590 0.700E-02 0.889E-02 RMM: 6 -0.336112422242E+03 -0.53334E-04 -0.17460E-04 3882 0.333E-02 0.133E-01 RMM: 7 -0.336112365107E+03 0.57135E-04 -0.72286E-05 3542 0.240E-02 0.999E-02 RMM: 8 -0.336112303490E+03 0.61617E-04 -0.41005E-05 3131 0.189E-02 0.309E-02 RMM: 9 -0.336112316319E+03 -0.12829E-04 -0.18388E-05 2537 0.124E-02 7633 T= 6525. E= 0.68107114E+03 F= 0.62708877E+03 E0= 0.65628318E+03 EK= 0.53982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336137627215E+03 -0.25324E-01 -0.19682E-01 8604 0.242E+01 0.312E-01 RMM: 2 -0.336148616834E+03 -0.10990E-01 -0.10698E-01 5125 0.748E-01 0.686E-01 RMM: 3 -0.336145311608E+03 0.33052E-02 -0.98608E-03 5771 0.198E-01 0.246E-01 RMM: 4 -0.336145872320E+03 -0.56071E-03 -0.13825E-03 4823 0.917E-02 0.407E-01 RMM: 5 -0.336144800875E+03 0.10714E-02 -0.56969E-04 4529 0.620E-02 0.119E-01 RMM: 6 -0.336144733211E+03 0.67664E-04 -0.13676E-04 3864 0.304E-02 0.705E-02 RMM: 7 -0.336144752146E+03 -0.18935E-04 -0.45632E-05 3180 0.194E-02 7634 T= 6869. E= 0.68417744E+03 F= 0.62734862E+03 E0= 0.65655346E+03 EK= 0.56829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336165312355E+03 -0.20579E-01 -0.19568E-01 8664 0.246E+01 0.347E-01 RMM: 2 -0.336176699126E+03 -0.11387E-01 -0.98536E-02 5245 0.727E-01 0.836E-01 RMM: 3 -0.336171974717E+03 0.47244E-02 -0.92454E-03 5694 0.201E-01 0.259E-01 RMM: 4 -0.336172682302E+03 -0.70758E-03 -0.16741E-03 4832 0.100E-01 0.442E-01 RMM: 5 -0.336171372324E+03 0.13100E-02 -0.70477E-04 4574 0.693E-02 0.966E-02 RMM: 6 -0.336171399033E+03 -0.26709E-04 -0.15090E-04 3872 0.310E-02 0.121E-01 RMM: 7 -0.336171359648E+03 0.39385E-04 -0.69790E-05 3546 0.232E-02 0.991E-02 RMM: 8 -0.336171298659E+03 0.60989E-04 -0.39813E-05 3122 0.189E-02 0.286E-02 RMM: 9 -0.336171312291E+03 -0.13632E-04 -0.16063E-05 2523 0.115E-02 7635 T= 7050. E= 0.68593564E+03 F= 0.62760945E+03 E0= 0.65681827E+03 EK= 0.58326E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336163294347E+03 0.80043E-02 -0.19743E-01 8484 0.246E+01 0.309E-01 RMM: 2 -0.336176227841E+03 -0.12933E-01 -0.11359E-01 5062 0.771E-01 0.794E-01 RMM: 3 -0.336171561756E+03 0.46661E-02 -0.10806E-02 5731 0.208E-01 0.218E-01 RMM: 4 -0.336172196331E+03 -0.63458E-03 -0.14907E-03 4922 0.957E-02 0.408E-01 RMM: 5 -0.336171121225E+03 0.10751E-02 -0.59626E-04 4570 0.644E-02 0.120E-01 RMM: 6 -0.336171065130E+03 0.56095E-04 -0.16318E-04 3877 0.331E-02 0.836E-02 RMM: 7 -0.336171092917E+03 -0.27788E-04 -0.57000E-05 3366 0.215E-02 0.108E-01 RMM: 8 -0.336171017188E+03 0.75729E-04 -0.33137E-05 2984 0.181E-02 0.235E-02 RMM: 9 -0.336171022749E+03 -0.55610E-05 -0.12057E-05 2482 0.975E-03 7636 T= 6983. E= 0.68566468E+03 F= 0.62789666E+03 E0= 0.65710294E+03 EK= 0.57768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336145010842E+03 0.26006E-01 -0.18998E-01 8556 0.243E+01 0.317E-01 RMM: 2 -0.336156925426E+03 -0.11915E-01 -0.91491E-02 5231 0.695E-01 0.895E-01 RMM: 3 -0.336151196061E+03 0.57294E-02 -0.82645E-03 5661 0.190E-01 0.206E-01 RMM: 4 -0.336151757014E+03 -0.56095E-03 -0.15218E-03 4819 0.974E-02 0.387E-01 RMM: 5 -0.336150822103E+03 0.93491E-03 -0.65260E-04 4593 0.684E-02 0.137E-01 RMM: 6 -0.336150768471E+03 0.53632E-04 -0.18319E-04 3886 0.344E-02 0.110E-01 RMM: 7 -0.336150758150E+03 0.10321E-04 -0.87319E-05 3638 0.270E-02 7637 T= 6697. E= 0.68361179E+03 F= 0.62820819E+03 E0= 0.65740484E+03 EK= 0.55404E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336136289526E+03 0.14479E-01 -0.18386E-01 8244 0.236E+01 0.324E-01 RMM: 2 -0.336147974890E+03 -0.11685E-01 -0.98554E-02 5009 0.739E-01 0.817E-01 RMM: 3 -0.336143439550E+03 0.45353E-02 -0.10274E-02 5699 0.206E-01 0.249E-01 RMM: 4 -0.336143843015E+03 -0.40347E-03 -0.15955E-03 4981 0.100E-01 0.393E-01 RMM: 5 -0.336142829078E+03 0.10139E-02 -0.80222E-04 4608 0.765E-02 0.111E-01 RMM: 6 -0.336142968278E+03 -0.13920E-03 -0.24892E-04 3890 0.405E-02 0.182E-01 RMM: 7 -0.336142809278E+03 0.15900E-03 -0.10581E-04 3828 0.311E-02 0.100E-01 RMM: 8 -0.336142747576E+03 0.61701E-04 -0.43038E-05 3193 0.190E-02 0.333E-02 RMM: 9 -0.336142768673E+03 -0.21097E-04 -0.21719E-05 2584 0.135E-02 0.590E-02 RMM: 10 -0.336142753996E+03 0.14677E-04 -0.15040E-05 2506 0.128E-02 7638 T= 6317. E= 0.68077638E+03 F= 0.62851540E+03 E0= 0.65769648E+03 EK= 0.52261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336180466372E+03 -0.37698E-01 -0.16769E-01 7944 0.230E+01 0.268E-01 RMM: 2 -0.336189424967E+03 -0.89586E-02 -0.81485E-02 5053 0.668E-01 0.665E-01 RMM: 3 -0.336186387087E+03 0.30379E-02 -0.81055E-03 5747 0.178E-01 0.194E-01 RMM: 4 -0.336186721190E+03 -0.33410E-03 -0.10935E-03 4730 0.848E-02 0.343E-01 RMM: 5 -0.336185973789E+03 0.74740E-03 -0.58730E-04 4606 0.672E-02 0.121E-01 RMM: 6 -0.336185986069E+03 -0.12280E-04 -0.24592E-04 3891 0.407E-02 0.131E-01 RMM: 7 -0.336185928759E+03 0.57311E-04 -0.83001E-05 3633 0.286E-02 0.940E-02 RMM: 8 -0.336185870928E+03 0.57831E-04 -0.24144E-05 2763 0.151E-02 0.241E-02 RMM: 9 -0.336185874397E+03 -0.34688E-05 -0.97925E-06 2463 0.899E-03 7639 T= 5985. E= 0.67829613E+03 F= 0.62878052E+03 E0= 0.65794198E+03 EK= 0.49516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336305477855E+03 -0.11961E+00 -0.15514E-01 7992 0.225E+01 0.304E-01 RMM: 2 -0.336312278173E+03 -0.68003E-02 -0.67469E-02 5109 0.611E-01 0.603E-01 RMM: 3 -0.336309913376E+03 0.23648E-02 -0.64655E-03 5635 0.161E-01 0.233E-01 RMM: 4 -0.336310469087E+03 -0.55571E-03 -0.13786E-03 4811 0.971E-02 0.408E-01 RMM: 5 -0.336309368370E+03 0.11007E-02 -0.70617E-04 4604 0.711E-02 0.900E-02 RMM: 6 -0.336309487773E+03 -0.11940E-03 -0.23856E-04 3890 0.401E-02 0.163E-01 RMM: 7 -0.336309343080E+03 0.14469E-03 -0.88825E-05 3643 0.295E-02 0.762E-02 RMM: 8 -0.336309308805E+03 0.34275E-04 -0.23130E-05 2649 0.144E-02 0.297E-02 RMM: 9 -0.336309323095E+03 -0.14290E-04 -0.16243E-05 2513 0.117E-02 7640 T= 5803. E= 0.67698224E+03 F= 0.62897253E+03 E0= 0.65811147E+03 EK= 0.48010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336519477979E+03 -0.21017E+00 -0.15121E-01 8028 0.224E+01 0.293E-01 RMM: 2 -0.336525983520E+03 -0.65055E-02 -0.67188E-02 4961 0.614E-01 0.561E-01 RMM: 3 -0.336524073677E+03 0.19098E-02 -0.72336E-03 5636 0.167E-01 0.234E-01 RMM: 4 -0.336524573949E+03 -0.50027E-03 -0.12502E-03 4742 0.907E-02 0.394E-01 RMM: 5 -0.336523565920E+03 0.10080E-02 -0.63174E-04 4597 0.675E-02 0.111E-01 RMM: 6 -0.336523597026E+03 -0.31106E-04 -0.19311E-04 3880 0.357E-02 0.133E-01 RMM: 7 -0.336523525723E+03 0.71303E-04 -0.68804E-05 3525 0.259E-02 0.860E-02 RMM: 8 -0.336523480118E+03 0.45605E-04 -0.26900E-05 2886 0.158E-02 0.270E-02 RMM: 9 -0.336523491421E+03 -0.11303E-04 -0.13401E-05 2494 0.105E-02 7641 T= 5818. E= 0.67720744E+03 F= 0.62907687E+03 E0= 0.65819196E+03 EK= 0.48131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336813073429E+03 -0.28959E+00 -0.15521E-01 8028 0.226E+01 0.316E-01 RMM: 2 -0.336819787927E+03 -0.67145E-02 -0.60975E-02 5043 0.589E-01 0.691E-01 RMM: 3 -0.336816803222E+03 0.29847E-02 -0.65666E-03 5451 0.169E-01 0.244E-01 RMM: 4 -0.336817483907E+03 -0.68069E-03 -0.13656E-03 4788 0.934E-02 0.421E-01 RMM: 5 -0.336816336261E+03 0.11476E-02 -0.60293E-04 4565 0.646E-02 0.115E-01 RMM: 6 -0.336816309869E+03 0.26393E-04 -0.16468E-04 3881 0.330E-02 0.102E-01 RMM: 7 -0.336816302461E+03 0.74074E-05 -0.60985E-05 3423 0.229E-02 7642 T= 6025. E= 0.67894721E+03 F= 0.62910064E+03 E0= 0.65819229E+03 EK= 0.49847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337150542878E+03 -0.33423E+00 -0.16523E-01 8076 0.231E+01 0.342E-01 RMM: 2 -0.337157920650E+03 -0.73778E-02 -0.67797E-02 5057 0.620E-01 0.713E-01 RMM: 3 -0.337154819425E+03 0.31012E-02 -0.74110E-03 5421 0.180E-01 0.282E-01 RMM: 4 -0.337155637397E+03 -0.81797E-03 -0.16179E-03 4804 0.985E-02 0.468E-01 RMM: 5 -0.337154201090E+03 0.14363E-02 -0.75178E-04 4594 0.718E-02 0.112E-01 RMM: 6 -0.337154199104E+03 0.19868E-05 -0.16128E-04 3876 0.319E-02 7643 T= 6370. E= 0.68177457E+03 F= 0.62907344E+03 E0= 0.65814359E+03 EK= 0.52701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337489607415E+03 -0.33541E+00 -0.17580E-01 7932 0.238E+01 0.408E-01 RMM: 2 -0.337508541932E+03 -0.18935E-01 -0.77653E-02 5049 0.675E-01 0.148E+00 RMM: 3 -0.337494074361E+03 0.14468E-01 -0.12595E-02 5337 0.269E-01 0.326E-01 RMM: 4 -0.337494236554E+03 -0.16219E-03 -0.22167E-03 5068 0.107E-01 0.369E-01 RMM: 5 -0.337493502405E+03 0.73415E-03 -0.62614E-04 4597 0.636E-02 0.197E-01 RMM: 6 -0.337493269060E+03 0.23334E-03 -0.22860E-04 3893 0.397E-02 0.768E-02 RMM: 7 -0.337493324124E+03 -0.55064E-04 -0.84105E-05 3626 0.247E-02 0.119E-01 RMM: 8 -0.337493235615E+03 0.88509E-04 -0.41467E-05 3133 0.200E-02 0.366E-02 RMM: 9 -0.337493236053E+03 -0.43787E-06 -0.14635E-05 2517 0.111E-02 7644 T= 6743. E= 0.68482403E+03 F= 0.62903772E+03 E0= 0.65809236E+03 EK= 0.55786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337789208130E+03 -0.29597E+00 -0.17849E-01 7860 0.244E+01 0.416E-01 RMM: 2 -0.337810724926E+03 -0.21517E-01 -0.80389E-02 5132 0.697E-01 0.161E+00 RMM: 3 -0.337793649301E+03 0.17076E-01 -0.13173E-02 5331 0.280E-01 0.352E-01 RMM: 4 -0.337793549489E+03 0.99813E-04 -0.23935E-03 5096 0.111E-01 0.350E-01 RMM: 5 -0.337793007874E+03 0.54161E-03 -0.58149E-04 4567 0.620E-02 0.228E-01 RMM: 6 -0.337792673310E+03 0.33456E-03 -0.19316E-04 3876 0.373E-02 0.592E-02 RMM: 7 -0.337792709627E+03 -0.36318E-04 -0.72355E-05 3512 0.227E-02 0.993E-02 RMM: 8 -0.337792647263E+03 0.62365E-04 -0.34575E-05 2999 0.188E-02 0.366E-02 RMM: 9 -0.337792642966E+03 0.42971E-05 -0.12958E-05 2492 0.105E-02 7645 T= 7000. E= 0.68694524E+03 F= 0.62903574E+03 E0= 0.65808110E+03 EK= 0.57910E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338026979974E+03 -0.23433E+00 -0.17918E-01 7776 0.246E+01 0.365E-01 RMM: 2 -0.338040691729E+03 -0.13712E-01 -0.65776E-02 5240 0.618E-01 0.123E+00 RMM: 3 -0.338030620308E+03 0.10071E-01 -0.81031E-03 5348 0.208E-01 0.271E-01 RMM: 4 -0.338031294165E+03 -0.67386E-03 -0.19810E-03 4882 0.106E-01 0.427E-01 RMM: 5 -0.338030236097E+03 0.10581E-02 -0.65832E-04 4602 0.677E-02 0.187E-01 RMM: 6 -0.338030024565E+03 0.21153E-03 -0.16762E-04 3876 0.334E-02 0.718E-02 RMM: 7 -0.338030064240E+03 -0.39675E-04 -0.88958E-05 3661 0.256E-02 0.111E-01 RMM: 8 -0.338029987115E+03 0.77125E-04 -0.44407E-05 3200 0.207E-02 0.294E-02 RMM: 9 -0.338029995871E+03 -0.87555E-05 -0.14520E-05 2518 0.107E-02 7646 T= 7026. E= 0.68721939E+03 F= 0.62909380E+03 E0= 0.65813880E+03 EK= 0.58126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338213724701E+03 -0.18374E+00 -0.18367E-01 7872 0.244E+01 0.323E-01 RMM: 2 -0.338222935057E+03 -0.92104E-02 -0.72200E-02 5101 0.649E-01 0.837E-01 RMM: 3 -0.338218305901E+03 0.46292E-02 -0.75778E-03 5415 0.188E-01 0.243E-01 RMM: 4 -0.338218912301E+03 -0.60640E-03 -0.15556E-03 4837 0.971E-02 0.402E-01 RMM: 5 -0.338217917528E+03 0.99477E-03 -0.64252E-04 4600 0.672E-02 0.150E-01 RMM: 6 -0.338217812745E+03 0.10478E-03 -0.17961E-04 3885 0.345E-02 0.908E-02 RMM: 7 -0.338217841400E+03 -0.28655E-04 -0.77068E-05 3585 0.251E-02 0.112E-01 RMM: 8 -0.338217760478E+03 0.80922E-04 -0.41043E-05 3162 0.198E-02 0.282E-02 RMM: 9 -0.338217768848E+03 -0.83701E-05 -0.13862E-05 2507 0.105E-02 7647 T= 6810. E= 0.68554410E+03 F= 0.62920437E+03 E0= 0.65825895E+03 EK= 0.56340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338395340992E+03 -0.17758E+00 -0.17880E-01 7800 0.240E+01 0.316E-01 RMM: 2 -0.338404749953E+03 -0.94090E-02 -0.66806E-02 5170 0.629E-01 0.891E-01 RMM: 3 -0.338399508965E+03 0.52410E-02 -0.69084E-03 5431 0.178E-01 0.229E-01 RMM: 4 -0.338400028042E+03 -0.51908E-03 -0.15374E-03 4790 0.982E-02 0.380E-01 RMM: 5 -0.338399177280E+03 0.85076E-03 -0.69604E-04 4604 0.714E-02 0.170E-01 RMM: 6 -0.338399038469E+03 0.13881E-03 -0.20956E-04 3891 0.374E-02 0.979E-02 RMM: 7 -0.338399064871E+03 -0.26402E-04 -0.10295E-04 3763 0.291E-02 0.119E-01 RMM: 8 -0.338398974740E+03 0.90131E-04 -0.47411E-05 3270 0.211E-02 0.312E-02 RMM: 9 -0.338398980441E+03 -0.57012E-05 -0.13135E-05 2505 0.103E-02 7648 T= 6452. E= 0.68270491E+03 F= 0.62932867E+03 E0= 0.65840254E+03 EK= 0.53376E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338629558677E+03 -0.23058E+00 -0.17066E-01 7884 0.233E+01 0.314E-01 RMM: 2 -0.338638891910E+03 -0.93332E-02 -0.65935E-02 5174 0.626E-01 0.886E-01 RMM: 3 -0.338633689009E+03 0.52029E-02 -0.66873E-03 5411 0.176E-01 0.229E-01 RMM: 4 -0.338634195720E+03 -0.50671E-03 -0.14670E-03 4767 0.962E-02 0.379E-01 RMM: 5 -0.338633298741E+03 0.89698E-03 -0.75368E-04 4606 0.749E-02 0.147E-01 RMM: 6 -0.338633260920E+03 0.37821E-04 -0.24026E-04 3884 0.400E-02 0.130E-01 RMM: 7 -0.338633223852E+03 0.37068E-04 -0.96476E-05 3780 0.302E-02 0.108E-01 RMM: 8 -0.338633149190E+03 0.74662E-04 -0.37632E-05 3121 0.186E-02 0.306E-02 RMM: 9 -0.338633159378E+03 -0.10188E-04 -0.15237E-05 2511 0.112E-02 7649 T= 6097. E= 0.67984540E+03 F= 0.62940925E+03 E0= 0.65851104E+03 EK= 0.50436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338969470839E+03 -0.33632E+00 -0.16468E-01 7944 0.229E+01 0.324E-01 RMM: 2 -0.338980473780E+03 -0.11003E-01 -0.69999E-02 5138 0.639E-01 0.991E-01 RMM: 3 -0.338973853639E+03 0.66201E-02 -0.76689E-03 5415 0.190E-01 0.245E-01 RMM: 4 -0.338974248013E+03 -0.39437E-03 -0.16342E-03 4824 0.101E-01 0.366E-01 RMM: 5 -0.338973534298E+03 0.71371E-03 -0.75773E-04 4608 0.751E-02 0.197E-01 RMM: 6 -0.338973325291E+03 0.20901E-03 -0.23128E-04 3895 0.396E-02 0.951E-02 RMM: 7 -0.338973347558E+03 -0.22268E-04 -0.11750E-04 3856 0.318E-02 0.114E-01 RMM: 8 -0.338973264673E+03 0.82886E-04 -0.48052E-05 3272 0.212E-02 0.303E-02 RMM: 9 -0.338973273249E+03 -0.85762E-05 -0.14182E-05 2515 0.109E-02 7650 T= 5863. E= 0.67789850E+03 F= 0.62939229E+03 E0= 0.65852965E+03 EK= 0.48506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339444247790E+03 -0.47098E+00 -0.15602E-01 7896 0.227E+01 0.329E-01 RMM: 2 -0.339452981086E+03 -0.87333E-02 -0.59802E-02 5180 0.590E-01 0.907E-01 RMM: 3 -0.339447593211E+03 0.53879E-02 -0.62686E-03 5409 0.172E-01 0.228E-01 RMM: 4 -0.339448365241E+03 -0.77203E-03 -0.15999E-03 4776 0.100E-01 0.426E-01 RMM: 5 -0.339447206733E+03 0.11585E-02 -0.76307E-04 4607 0.743E-02 0.139E-01 RMM: 6 -0.339447162167E+03 0.44566E-04 -0.21471E-04 3893 0.377E-02 0.119E-01 RMM: 7 -0.339447144628E+03 0.17538E-04 -0.90032E-05 3729 0.282E-02 7651 T= 5817. E= 0.67736633E+03 F= 0.62924643E+03 E0= 0.65842595E+03 EK= 0.48120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340052537103E+03 -0.60537E+00 -0.15741E-01 7980 0.229E+01 0.358E-01 RMM: 2 -0.340060199441E+03 -0.76623E-02 -0.54556E-02 5202 0.568E-01 0.882E-01 RMM: 3 -0.340055307863E+03 0.48916E-02 -0.60681E-03 5375 0.175E-01 0.288E-01 RMM: 4 -0.340056114953E+03 -0.80709E-03 -0.18618E-03 4849 0.108E-01 0.463E-01 RMM: 5 -0.340054770210E+03 0.13447E-02 -0.82762E-04 4608 0.764E-02 0.157E-01 RMM: 6 -0.340054677068E+03 0.93142E-04 -0.21962E-04 3894 0.381E-02 0.113E-01 RMM: 7 -0.340054686706E+03 -0.96382E-05 -0.10562E-04 3833 0.291E-02 7652 T= 5967. E= 0.67833404E+03 F= 0.62896682E+03 E0= 0.65819259E+03 EK= 0.49367E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340761221725E+03 -0.70654E+00 -0.16681E-01 8136 0.234E+01 0.365E-01 RMM: 2 -0.340772090341E+03 -0.10869E-01 -0.66484E-02 5141 0.633E-01 0.104E+00 RMM: 3 -0.340764898505E+03 0.71918E-02 -0.82290E-03 5355 0.207E-01 0.279E-01 RMM: 4 -0.340765482661E+03 -0.58416E-03 -0.18055E-03 4857 0.102E-01 0.417E-01 RMM: 5 -0.340764609646E+03 0.87302E-03 -0.69964E-04 4601 0.694E-02 0.230E-01 RMM: 6 -0.340764252709E+03 0.35694E-03 -0.28817E-04 3938 0.447E-02 0.617E-02 RMM: 7 -0.340764328491E+03 -0.75782E-04 -0.87630E-05 3656 0.259E-02 0.124E-01 RMM: 8 -0.340764234046E+03 0.94444E-04 -0.37299E-05 3066 0.192E-02 0.401E-02 RMM: 9 -0.340764230152E+03 0.38943E-05 -0.15267E-05 2513 0.112E-02 7653 T= 6275. E= 0.68048986E+03 F= 0.62858071E+03 E0= 0.65785836E+03 EK= 0.51909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341512298863E+03 -0.74806E+00 -0.17375E-01 8220 0.240E+01 0.339E-01 RMM: 2 -0.341520056685E+03 -0.77578E-02 -0.58914E-02 5249 0.581E-01 0.871E-01 RMM: 3 -0.341515450783E+03 0.46059E-02 -0.64298E-03 5393 0.179E-01 0.267E-01 RMM: 4 -0.341516456561E+03 -0.10058E-02 -0.14099E-03 4673 0.896E-02 0.480E-01 RMM: 5 -0.341514938848E+03 0.15177E-02 -0.63165E-04 4558 0.665E-02 0.974E-02 RMM: 6 -0.341514914063E+03 0.24785E-04 -0.13157E-04 3868 0.291E-02 0.858E-02 RMM: 7 -0.341514895221E+03 0.18842E-04 -0.45855E-05 3209 0.199E-02 7654 T= 6642. E= 0.68309560E+03 F= 0.62814666E+03 E0= 0.65747743E+03 EK= 0.54949E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342225390895E+03 -0.71048E+00 -0.18585E-01 8076 0.247E+01 0.373E-01 RMM: 2 -0.342232948412E+03 -0.75575E-02 -0.65400E-02 5230 0.630E-01 0.826E-01 RMM: 3 -0.342228917420E+03 0.40310E-02 -0.74136E-03 5379 0.193E-01 0.290E-01 RMM: 4 -0.342229868167E+03 -0.95075E-03 -0.16399E-03 4762 0.981E-02 0.491E-01 RMM: 5 -0.342228359718E+03 0.15084E-02 -0.73340E-04 4591 0.709E-02 0.152E-01 RMM: 6 -0.342228238648E+03 0.12107E-03 -0.18961E-04 3892 0.350E-02 0.879E-02 RMM: 7 -0.342228264011E+03 -0.25363E-04 -0.91365E-05 3723 0.261E-02 0.112E-01 RMM: 8 -0.342228187281E+03 0.76730E-04 -0.39532E-05 3121 0.193E-02 0.396E-02 RMM: 9 -0.342228187796E+03 -0.51448E-06 -0.17705E-05 2520 0.120E-02 7655 T= 6931. E= 0.68507774E+03 F= 0.62774381E+03 E0= 0.65712745E+03 EK= 0.57334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342827025477E+03 -0.59884E+00 -0.19541E-01 8028 0.250E+01 0.335E-01 RMM: 2 -0.342835605778E+03 -0.85803E-02 -0.68894E-02 5096 0.627E-01 0.845E-01 RMM: 3 -0.342831076363E+03 0.45294E-02 -0.71914E-03 5398 0.186E-01 0.256E-01 RMM: 4 -0.342832025954E+03 -0.94959E-03 -0.15531E-03 4819 0.963E-02 0.466E-01 RMM: 5 -0.342830633453E+03 0.13925E-02 -0.63621E-04 4551 0.665E-02 0.120E-01 RMM: 6 -0.342830568075E+03 0.65378E-04 -0.14942E-04 3885 0.314E-02 0.784E-02 RMM: 7 -0.342830591680E+03 -0.23605E-04 -0.60682E-05 3388 0.220E-02 0.992E-02 RMM: 8 -0.342830530552E+03 0.61128E-04 -0.35323E-05 3013 0.187E-02 0.315E-02 RMM: 9 -0.342830531301E+03 -0.74883E-06 -0.11758E-05 2481 0.979E-03 7656 T= 7011. E= 0.68545064E+03 F= 0.62744904E+03 E0= 0.65688144E+03 EK= 0.58002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343276669062E+03 -0.44614E+00 -0.18943E-01 7908 0.249E+01 0.327E-01 RMM: 2 -0.343282916134E+03 -0.62471E-02 -0.58570E-02 5194 0.579E-01 0.678E-01 RMM: 3 -0.343279949135E+03 0.29670E-02 -0.56457E-03 5402 0.165E-01 0.265E-01 RMM: 4 -0.343280662683E+03 -0.71355E-03 -0.14537E-03 4737 0.954E-02 0.436E-01 RMM: 5 -0.343279442838E+03 0.12198E-02 -0.66672E-04 4602 0.685E-02 0.121E-01 RMM: 6 -0.343279394292E+03 0.48546E-04 -0.14532E-04 3869 0.306E-02 0.940E-02 RMM: 7 -0.343279399815E+03 -0.55228E-05 -0.64202E-05 3475 0.229E-02 7657 T= 6843. E= 0.68392259E+03 F= 0.62730958E+03 E0= 0.65678397E+03 EK= 0.56613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343573278756E+03 -0.29388E+00 -0.18700E-01 7968 0.244E+01 0.341E-01 RMM: 2 -0.343581932118E+03 -0.86534E-02 -0.66836E-02 5032 0.628E-01 0.857E-01 RMM: 3 -0.343577205567E+03 0.47266E-02 -0.73147E-03 5441 0.185E-01 0.244E-01 RMM: 4 -0.343577981930E+03 -0.77636E-03 -0.17457E-03 4959 0.105E-01 0.441E-01 RMM: 5 -0.343576788278E+03 0.11937E-02 -0.81755E-04 4607 0.779E-02 0.156E-01 RMM: 6 -0.343576703189E+03 0.85089E-04 -0.19478E-04 3880 0.359E-02 0.114E-01 RMM: 7 -0.343576693394E+03 0.97949E-05 -0.11271E-04 3846 0.315E-02 7658 T= 6502. E= 0.68111662E+03 F= 0.62732792E+03 E0= 0.65683767E+03 EK= 0.53789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343760886684E+03 -0.18418E+00 -0.17497E-01 7836 0.237E+01 0.323E-01 RMM: 2 -0.343770197685E+03 -0.93110E-02 -0.62234E-02 5177 0.602E-01 0.923E-01 RMM: 3 -0.343764516187E+03 0.56815E-02 -0.62206E-03 5420 0.174E-01 0.224E-01 RMM: 4 -0.343765288589E+03 -0.77240E-03 -0.17407E-03 4841 0.107E-01 0.431E-01 RMM: 5 -0.343764155088E+03 0.11335E-02 -0.85714E-04 4597 0.804E-02 0.143E-01 RMM: 6 -0.343764129202E+03 0.25886E-04 -0.23510E-04 3887 0.397E-02 0.134E-01 RMM: 7 -0.343764091415E+03 0.37787E-04 -0.12648E-04 3855 0.349E-02 0.112E-01 RMM: 8 -0.343764013176E+03 0.78239E-04 -0.38188E-05 3107 0.191E-02 0.330E-02 RMM: 9 -0.343764025905E+03 -0.12728E-04 -0.18308E-05 2527 0.124E-02 7659 T= 6127. E= 0.67815204E+03 F= 0.62746485E+03 E0= 0.65700135E+03 EK= 0.50687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343898714511E+03 -0.13470E+00 -0.16182E-01 7644 0.231E+01 0.293E-01 RMM: 2 -0.343909601145E+03 -0.10887E-01 -0.64087E-02 5155 0.618E-01 0.101E+00 RMM: 3 -0.343902744940E+03 0.68562E-02 -0.66991E-03 5411 0.180E-01 0.194E-01 RMM: 4 -0.343903196190E+03 -0.45125E-03 -0.13783E-03 4757 0.941E-02 0.346E-01 RMM: 5 -0.343902533708E+03 0.66248E-03 -0.63495E-04 4608 0.697E-02 0.173E-01 RMM: 6 -0.343902394025E+03 0.13968E-03 -0.24554E-04 3897 0.409E-02 0.103E-01 RMM: 7 -0.343902412965E+03 -0.18940E-04 -0.11545E-04 3823 0.325E-02 7660 T= 5849. E= 0.67604414E+03 F= 0.62765874E+03 E0= 0.65721672E+03 EK= 0.48385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344049854030E+03 -0.14746E+00 -0.14751E-01 7668 0.227E+01 0.374E-01 RMM: 2 -0.344059747308E+03 -0.98933E-02 -0.64982E-02 5254 0.626E-01 0.102E+00 RMM: 3 -0.344053251865E+03 0.64954E-02 -0.69864E-03 5421 0.188E-01 0.284E-01 RMM: 4 -0.344053962303E+03 -0.71044E-03 -0.19961E-03 4862 0.112E-01 0.461E-01 RMM: 5 -0.344052651358E+03 0.13109E-02 -0.11927E-03 4617 0.960E-02 0.158E-01 RMM: 6 -0.344052644526E+03 0.68326E-05 -0.31156E-04 3899 0.459E-02 0.162E-01 RMM: 7 -0.344052575523E+03 0.69003E-04 -0.17036E-04 3880 0.399E-02 0.130E-01 RMM: 8 -0.344052473802E+03 0.10172E-03 -0.63702E-05 3441 0.236E-02 0.414E-02 RMM: 9 -0.344052489587E+03 -0.15784E-04 -0.23295E-05 2631 0.141E-02 7661 T= 5749. E= 0.67540299E+03 F= 0.62784532E+03 E0= 0.65741985E+03 EK= 0.47558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344258243246E+03 -0.20577E+00 -0.14789E-01 7860 0.226E+01 0.307E-01 RMM: 2 -0.344270950470E+03 -0.12707E-01 -0.64415E-02 5207 0.608E-01 0.113E+00 RMM: 3 -0.344262198989E+03 0.87515E-02 -0.70537E-03 5390 0.186E-01 0.201E-01 RMM: 4 -0.344262596925E+03 -0.39794E-03 -0.14318E-03 4678 0.913E-02 0.333E-01 RMM: 5 -0.344262025097E+03 0.57183E-03 -0.55339E-04 4595 0.637E-02 0.181E-01 RMM: 6 -0.344261836741E+03 0.18836E-03 -0.20576E-04 3894 0.378E-02 0.770E-02 RMM: 7 -0.344261892594E+03 -0.55853E-04 -0.87870E-05 3651 0.270E-02 0.120E-01 RMM: 8 -0.344261801839E+03 0.90755E-04 -0.41121E-05 3173 0.199E-02 0.265E-02 RMM: 9 -0.344261804128E+03 -0.22893E-05 -0.82230E-06 2477 0.810E-03 7662 T= 5856. E= 0.67642018E+03 F= 0.62797165E+03 E0= 0.65755944E+03 EK= 0.48449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344556927744E+03 -0.29513E+00 -0.15503E-01 7860 0.229E+01 0.347E-01 RMM: 2 -0.344567101553E+03 -0.10174E-01 -0.69358E-02 5247 0.620E-01 0.986E-01 RMM: 3 -0.344560841276E+03 0.62603E-02 -0.69787E-03 5406 0.184E-01 0.250E-01 RMM: 4 -0.344561663837E+03 -0.82256E-03 -0.18238E-03 4764 0.105E-01 0.455E-01 RMM: 5 -0.344560412092E+03 0.12517E-02 -0.82847E-04 4606 0.773E-02 0.159E-01 RMM: 6 -0.344560301004E+03 0.11109E-03 -0.20431E-04 3880 0.369E-02 0.985E-02 RMM: 7 -0.344560320011E+03 -0.19007E-04 -0.92648E-05 3776 0.282E-02 7663 T= 6152. E= 0.67889635E+03 F= 0.62800249E+03 E0= 0.65760093E+03 EK= 0.50894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344955144223E+03 -0.39484E+00 -0.16859E-01 8304 0.234E+01 0.373E-01 RMM: 2 -0.344967728801E+03 -0.12585E-01 -0.80178E-02 5273 0.655E-01 0.109E+00 RMM: 3 -0.344959749986E+03 0.79788E-02 -0.78186E-03 5391 0.194E-01 0.250E-01 RMM: 4 -0.344960696483E+03 -0.94650E-03 -0.20252E-03 4814 0.110E-01 0.471E-01 RMM: 5 -0.344959296420E+03 0.14001E-02 -0.80727E-04 4600 0.752E-02 0.146E-01 RMM: 6 -0.344959238682E+03 0.57738E-04 -0.20324E-04 3888 0.365E-02 0.119E-01 RMM: 7 -0.344959261252E+03 -0.22569E-04 -0.11383E-04 3823 0.298E-02 0.132E-01 RMM: 8 -0.344959151425E+03 0.10983E-03 -0.59773E-05 3407 0.229E-02 0.327E-02 RMM: 9 -0.344959160658E+03 -0.92329E-05 -0.15248E-05 2519 0.111E-02 7664 T= 6559. E= 0.68218429E+03 F= 0.62792351E+03 E0= 0.65753029E+03 EK= 0.54261E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345441795882E+03 -0.48264E+00 -0.18419E-01 8520 0.240E+01 0.325E-01 RMM: 2 -0.345455747350E+03 -0.13951E-01 -0.94097E-02 5285 0.690E-01 0.106E+00 RMM: 3 -0.345447957061E+03 0.77903E-02 -0.86269E-03 5419 0.200E-01 0.227E-01 RMM: 4 -0.345448635007E+03 -0.67795E-03 -0.15991E-03 4694 0.954E-02 0.406E-01 RMM: 5 -0.345447618722E+03 0.10163E-02 -0.54089E-04 4519 0.603E-02 0.141E-01 RMM: 6 -0.345447502468E+03 0.11625E-03 -0.15442E-04 3873 0.326E-02 0.573E-02 RMM: 7 -0.345447554028E+03 -0.51560E-04 -0.51277E-05 3271 0.197E-02 0.110E-01 RMM: 8 -0.345447478086E+03 0.75942E-04 -0.31522E-05 2893 0.181E-02 0.230E-02 RMM: 9 -0.345447480016E+03 -0.19304E-05 -0.91413E-06 2465 0.836E-03 7665 T= 6941. E= 0.68516418E+03 F= 0.62774556E+03 E0= 0.65735791E+03 EK= 0.57419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345987841667E+03 -0.54036E+00 -0.20389E-01 8736 0.244E+01 0.362E-01 RMM: 2 -0.346001557173E+03 -0.13716E-01 -0.10997E-01 5351 0.731E-01 0.973E-01 RMM: 3 -0.345994955445E+03 0.66017E-02 -0.91353E-03 5475 0.201E-01 0.248E-01 RMM: 4 -0.345995779920E+03 -0.82448E-03 -0.19028E-03 4764 0.105E-01 0.458E-01 RMM: 5 -0.345994459643E+03 0.13203E-02 -0.76105E-04 4599 0.726E-02 0.144E-01 RMM: 6 -0.345994371661E+03 0.87982E-04 -0.16007E-04 3880 0.323E-02 0.953E-02 RMM: 7 -0.345994406776E+03 -0.35115E-04 -0.10230E-04 3809 0.275E-02 0.123E-01 RMM: 8 -0.345994310291E+03 0.96485E-04 -0.51406E-05 3307 0.214E-02 0.328E-02 RMM: 9 -0.345994314044E+03 -0.37535E-05 -0.15010E-05 2511 0.109E-02 7666 T= 7138. E= 0.68654931E+03 F= 0.62750282E+03 E0= 0.65711744E+03 EK= 0.59046E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346549036582E+03 -0.55473E+00 -0.22448E-01 8628 0.244E+01 0.358E-01 RMM: 2 -0.346568301591E+03 -0.19265E-01 -0.12623E-01 5329 0.765E-01 0.120E+00 RMM: 3 -0.346557605283E+03 0.10696E-01 -0.10583E-02 5412 0.223E-01 0.250E-01 RMM: 4 -0.346558333246E+03 -0.72796E-03 -0.19713E-03 4870 0.106E-01 0.429E-01 RMM: 5 -0.346557249983E+03 0.10833E-02 -0.67588E-04 4592 0.676E-02 0.176E-01 RMM: 6 -0.346557078955E+03 0.17103E-03 -0.19811E-04 3880 0.363E-02 0.809E-02 RMM: 7 -0.346557170731E+03 -0.91776E-04 -0.11192E-04 3796 0.282E-02 0.144E-01 RMM: 8 -0.346557041606E+03 0.12913E-03 -0.60942E-05 3421 0.234E-02 0.322E-02 RMM: 9 -0.346557046270E+03 -0.46641E-05 -0.14427E-05 2512 0.107E-02 7667 T= 7053. E= 0.68559438E+03 F= 0.62724325E+03 E0= 0.65685659E+03 EK= 0.58351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347085845784E+03 -0.52880E+00 -0.24947E-01 8544 0.240E+01 0.334E-01 RMM: 2 -0.347102559957E+03 -0.16714E-01 -0.14176E-01 5411 0.795E-01 0.901E-01 RMM: 3 -0.347096096639E+03 0.64633E-02 -0.10171E-02 5451 0.212E-01 0.253E-01 RMM: 4 -0.347096637771E+03 -0.54113E-03 -0.18050E-03 4882 0.103E-01 0.404E-01 RMM: 5 -0.347095671510E+03 0.96626E-03 -0.72771E-04 4604 0.711E-02 0.172E-01 RMM: 6 -0.347095535919E+03 0.13559E-03 -0.21446E-04 3882 0.378E-02 0.100E-01 RMM: 7 -0.347095590232E+03 -0.54313E-04 -0.11043E-04 3834 0.298E-02 0.134E-01 RMM: 8 -0.347095476055E+03 0.11418E-03 -0.56878E-05 3377 0.225E-02 0.331E-02 RMM: 9 -0.347095481982E+03 -0.59273E-05 -0.16116E-05 2520 0.115E-02 7668 T= 6724. E= 0.68263977E+03 F= 0.62701278E+03 E0= 0.65662078E+03 EK= 0.55627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347574409462E+03 -0.47893E+00 -0.25763E-01 8544 0.234E+01 0.347E-01 RMM: 2 -0.347594772879E+03 -0.20363E-01 -0.13716E-01 5460 0.769E-01 0.119E+00 RMM: 3 -0.347583977940E+03 0.10795E-01 -0.97104E-03 5391 0.217E-01 0.245E-01 RMM: 4 -0.347584502699E+03 -0.52476E-03 -0.18740E-03 4926 0.104E-01 0.394E-01 RMM: 5 -0.347583625464E+03 0.87724E-03 -0.78580E-04 4607 0.757E-02 0.186E-01 RMM: 6 -0.347583464149E+03 0.16131E-03 -0.23798E-04 3883 0.398E-02 0.106E-01 RMM: 7 -0.347583504292E+03 -0.40142E-04 -0.12535E-04 3877 0.323E-02 0.132E-01 RMM: 8 -0.347583396463E+03 0.10783E-03 -0.55342E-05 3365 0.223E-02 0.327E-02 RMM: 9 -0.347583407693E+03 -0.11230E-04 -0.16784E-05 2524 0.118E-02 7669 T= 6290. E= 0.67887954E+03 F= 0.62684176E+03 E0= 0.65644033E+03 EK= 0.52038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348001552306E+03 -0.41816E+00 -0.26339E-01 8820 0.228E+01 0.332E-01 RMM: 2 -0.348017368607E+03 -0.15816E-01 -0.13428E-01 5587 0.755E-01 0.884E-01 RMM: 3 -0.348011195296E+03 0.61733E-02 -0.84623E-03 5467 0.199E-01 0.251E-01 RMM: 4 -0.348011636180E+03 -0.44088E-03 -0.16903E-03 4852 0.101E-01 0.385E-01 RMM: 5 -0.348010748128E+03 0.88805E-03 -0.83563E-04 4606 0.783E-02 0.165E-01 RMM: 6 -0.348010674814E+03 0.73315E-04 -0.26316E-04 3903 0.419E-02 0.130E-01 RMM: 7 -0.348010667401E+03 0.74126E-05 -0.12039E-04 3860 0.333E-02 7670 T= 5908. E= 0.67561988E+03 F= 0.62674147E+03 E0= 0.65632738E+03 EK= 0.48878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348370736981E+03 -0.36006E+00 -0.26548E-01 8808 0.224E+01 0.371E-01 RMM: 2 -0.348385977252E+03 -0.15240E-01 -0.12944E-01 5761 0.735E-01 0.904E-01 RMM: 3 -0.348379679154E+03 0.62981E-02 -0.74362E-03 5422 0.188E-01 0.292E-01 RMM: 4 -0.348380359067E+03 -0.67991E-03 -0.21528E-03 4954 0.115E-01 0.457E-01 RMM: 5 -0.348379059866E+03 0.12992E-02 -0.11624E-03 4608 0.919E-02 0.162E-01 RMM: 6 -0.348379072671E+03 -0.12805E-04 -0.33617E-04 3925 0.471E-02 0.171E-01 RMM: 7 -0.348379004901E+03 0.67770E-04 -0.16674E-04 3884 0.382E-02 0.138E-01 RMM: 8 -0.348378889302E+03 0.11560E-03 -0.72653E-05 3527 0.248E-02 0.409E-02 RMM: 9 -0.348378909859E+03 -0.20557E-04 -0.27266E-05 2810 0.150E-02 0.643E-02 RMM: 10 -0.348378896442E+03 0.13417E-04 -0.20201E-05 2537 0.147E-02 7671 T= 5688. E= 0.67376021E+03 F= 0.62670779E+03 E0= 0.65627590E+03 EK= 0.47052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348685602464E+03 -0.30669E+00 -0.25920E-01 8784 0.223E+01 0.303E-01 RMM: 2 -0.348700556356E+03 -0.14954E-01 -0.12706E-01 5616 0.737E-01 0.863E-01 RMM: 3 -0.348694909899E+03 0.56465E-02 -0.82863E-03 5653 0.190E-01 0.213E-01 RMM: 4 -0.348695305302E+03 -0.39540E-03 -0.13196E-03 4667 0.875E-02 0.353E-01 RMM: 5 -0.348694572572E+03 0.73273E-03 -0.58823E-04 4580 0.650E-02 0.159E-01 RMM: 6 -0.348694455471E+03 0.11710E-03 -0.22901E-04 3899 0.393E-02 0.922E-02 RMM: 7 -0.348694468705E+03 -0.13233E-04 -0.78062E-05 3612 0.264E-02 7672 T= 5679. E= 0.67371246E+03 F= 0.62672902E+03 E0= 0.65627650E+03 EK= 0.46983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348951760590E+03 -0.25731E+00 -0.24967E-01 8820 0.225E+01 0.405E-01 RMM: 2 -0.348968490893E+03 -0.16730E-01 -0.12434E-01 5586 0.736E-01 0.110E+00 RMM: 3 -0.348959867629E+03 0.86233E-02 -0.90264E-03 5457 0.204E-01 0.300E-01 RMM: 4 -0.348960685533E+03 -0.81790E-03 -0.23838E-03 5021 0.118E-01 0.481E-01 RMM: 5 -0.348959206672E+03 0.14789E-02 -0.10247E-03 4606 0.839E-02 0.173E-01 RMM: 6 -0.348959129776E+03 0.76896E-04 -0.29220E-04 3905 0.438E-02 0.141E-01 RMM: 7 -0.348959178104E+03 -0.48328E-04 -0.15621E-04 3892 0.339E-02 0.164E-01 RMM: 8 -0.348959005918E+03 0.17219E-03 -0.88053E-05 3643 0.270E-02 0.422E-02 RMM: 9 -0.348959010064E+03 -0.41455E-05 -0.24186E-05 2720 0.142E-02 7673 T= 5886. E= 0.67549033E+03 F= 0.62679717E+03 E0= 0.65631934E+03 EK= 0.48693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349156271323E+03 -0.19727E+00 -0.24044E-01 8844 0.232E+01 0.334E-01 RMM: 2 -0.349175008498E+03 -0.18737E-01 -0.13513E-01 5411 0.778E-01 0.111E+00 RMM: 3 -0.349166118454E+03 0.88900E-02 -0.10828E-02 5521 0.217E-01 0.239E-01 RMM: 4 -0.349166630018E+03 -0.51156E-03 -0.17930E-03 4806 0.100E-01 0.387E-01 RMM: 5 -0.349165695153E+03 0.93487E-03 -0.61413E-04 4598 0.632E-02 0.150E-01 RMM: 6 -0.349165578543E+03 0.11661E-03 -0.20704E-04 3884 0.374E-02 0.817E-02 RMM: 7 -0.349165656646E+03 -0.78103E-04 -0.82960E-05 3643 0.248E-02 0.136E-01 RMM: 8 -0.349165538039E+03 0.11861E-03 -0.44441E-05 3202 0.203E-02 0.294E-02 RMM: 9 -0.349165539874E+03 -0.18348E-05 -0.12716E-05 2502 0.999E-03 7674 T= 6261. E= 0.67871001E+03 F= 0.62691401E+03 E0= 0.65640750E+03 EK= 0.51796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349287618156E+03 -0.12208E+00 -0.22214E-01 8892 0.239E+01 0.388E-01 RMM: 2 -0.349309163373E+03 -0.21545E-01 -0.12619E-01 5459 0.775E-01 0.138E+00 RMM: 3 -0.349295929390E+03 0.13234E-01 -0.10498E-02 5402 0.226E-01 0.245E-01 RMM: 4 -0.349296715777E+03 -0.78639E-03 -0.23289E-03 4979 0.115E-01 0.442E-01 RMM: 5 -0.349295504281E+03 0.12115E-02 -0.77620E-04 4604 0.721E-02 0.163E-01 RMM: 6 -0.349295373213E+03 0.13107E-03 -0.17546E-04 3880 0.333E-02 0.936E-02 RMM: 7 -0.349295418493E+03 -0.45280E-04 -0.11179E-04 3878 0.275E-02 0.129E-01 RMM: 8 -0.349295310482E+03 0.10801E-03 -0.54793E-05 3352 0.218E-02 0.289E-02 RMM: 9 -0.349295319082E+03 -0.86000E-05 -0.17516E-05 2534 0.120E-02 7675 T= 6697. E= 0.68250140E+03 F= 0.62709597E+03 E0= 0.65655765E+03 EK= 0.55405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349327578713E+03 -0.32268E-01 -0.21147E-01 8928 0.246E+01 0.375E-01 RMM: 2 -0.349344869275E+03 -0.17291E-01 -0.12273E-01 5481 0.775E-01 0.115E+00 RMM: 3 -0.349335898969E+03 0.89703E-02 -0.10400E-02 5477 0.223E-01 0.274E-01 RMM: 4 -0.349336408999E+03 -0.51003E-03 -0.19525E-03 4754 0.103E-01 0.402E-01 RMM: 5 -0.349335414821E+03 0.99418E-03 -0.65864E-04 4583 0.651E-02 0.176E-01 RMM: 6 -0.349335244034E+03 0.17079E-03 -0.19912E-04 3879 0.367E-02 0.855E-02 RMM: 7 -0.349335336628E+03 -0.92595E-04 -0.12201E-04 3873 0.290E-02 0.146E-01 RMM: 8 -0.349335199669E+03 0.13696E-03 -0.62116E-05 3449 0.232E-02 0.392E-02 RMM: 9 -0.349335197526E+03 0.21433E-05 -0.17680E-05 2542 0.121E-02 7676 T= 7036. E= 0.68556815E+03 F= 0.62735743E+03 E0= 0.65678653E+03 EK= 0.58211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349297570800E+03 0.37629E-01 -0.20236E-01 9048 0.249E+01 0.364E-01 RMM: 2 -0.349317373875E+03 -0.19803E-01 -0.12096E-01 5497 0.780E-01 0.130E+00 RMM: 3 -0.349305970035E+03 0.11404E-01 -0.96273E-03 5381 0.218E-01 0.258E-01 RMM: 4 -0.349306504319E+03 -0.53428E-03 -0.20550E-03 4854 0.107E-01 0.396E-01 RMM: 5 -0.349305591042E+03 0.91328E-03 -0.67167E-04 4595 0.669E-02 0.184E-01 RMM: 6 -0.349305402916E+03 0.18813E-03 -0.20708E-04 3887 0.371E-02 0.895E-02 RMM: 7 -0.349305497281E+03 -0.94366E-04 -0.14008E-04 3878 0.314E-02 0.149E-01 RMM: 8 -0.349305357642E+03 0.13964E-03 -0.69655E-05 3521 0.246E-02 0.418E-02 RMM: 9 -0.349305354020E+03 0.36219E-05 -0.15710E-05 2526 0.113E-02 7677 T= 7133. E= 0.68668947E+03 F= 0.62768240E+03 E0= 0.65707981E+03 EK= 0.59007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349262096046E+03 0.43262E-01 -0.19132E-01 8640 0.247E+01 0.370E-01 RMM: 2 -0.349283879832E+03 -0.21784E-01 -0.12541E-01 5287 0.816E-01 0.138E+00 RMM: 3 -0.349271013687E+03 0.12866E-01 -0.12060E-02 5400 0.247E-01 0.277E-01 RMM: 4 -0.349271290625E+03 -0.27694E-03 -0.20173E-03 4961 0.104E-01 0.356E-01 RMM: 5 -0.349270687598E+03 0.60303E-03 -0.59340E-04 4594 0.619E-02 0.224E-01 RMM: 6 -0.349270376463E+03 0.31113E-03 -0.27129E-04 3913 0.435E-02 0.868E-02 RMM: 7 -0.349270497523E+03 -0.12106E-03 -0.14705E-04 3886 0.319E-02 0.160E-01 RMM: 8 -0.349270334239E+03 0.16328E-03 -0.75306E-05 3577 0.259E-02 0.379E-02 RMM: 9 -0.349270333440E+03 0.79829E-06 -0.16479E-05 2530 0.117E-02 7678 T= 6946. E= 0.68547275E+03 F= 0.62801196E+03 E0= 0.65738094E+03 EK= 0.57461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349298061189E+03 -0.27727E-01 -0.17591E-01 8316 0.241E+01 0.347E-01 RMM: 2 -0.349317206083E+03 -0.19145E-01 -0.11515E-01 5127 0.791E-01 0.127E+00 RMM: 3 -0.349306325787E+03 0.10880E-01 -0.11286E-02 5397 0.239E-01 0.265E-01 RMM: 4 -0.349306513171E+03 -0.18738E-03 -0.18924E-03 5020 0.103E-01 0.340E-01 RMM: 5 -0.349305900514E+03 0.61266E-03 -0.67878E-04 4604 0.698E-02 0.181E-01 RMM: 6 -0.349305738869E+03 0.16164E-03 -0.20830E-04 3893 0.376E-02 0.987E-02 RMM: 7 -0.349305806603E+03 -0.67734E-04 -0.12375E-04 3859 0.304E-02 0.142E-01 RMM: 8 -0.349305682207E+03 0.12440E-03 -0.63534E-05 3451 0.238E-02 0.385E-02 RMM: 9 -0.349305681852E+03 0.35486E-06 -0.14139E-05 2512 0.107E-02 7679 T= 6569. E= 0.68262204E+03 F= 0.62827571E+03 E0= 0.65761993E+03 EK= 0.54346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349447812210E+03 -0.14213E+00 -0.16419E-01 8160 0.234E+01 0.339E-01 RMM: 2 -0.349464431094E+03 -0.16619E-01 -0.10716E-01 5008 0.760E-01 0.114E+00 RMM: 3 -0.349455267636E+03 0.91635E-02 -0.11102E-02 5397 0.239E-01 0.241E-01 RMM: 4 -0.349455806491E+03 -0.53885E-03 -0.18201E-03 5060 0.103E-01 0.389E-01 RMM: 5 -0.349454934140E+03 0.87235E-03 -0.65627E-04 4598 0.676E-02 0.175E-01 RMM: 6 -0.349454791127E+03 0.14301E-03 -0.22717E-04 3891 0.393E-02 0.102E-01 RMM: 7 -0.349454862090E+03 -0.70962E-04 -0.12322E-04 3885 0.305E-02 0.145E-01 RMM: 8 -0.349454728422E+03 0.13367E-03 -0.64203E-05 3471 0.238E-02 0.339E-02 RMM: 9 -0.349454732336E+03 -0.39135E-05 -0.15312E-05 2521 0.113E-02 7680 T= 6162. E= 0.67940974E+03 F= 0.62843331E+03 E0= 0.65775737E+03 EK= 0.50976E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349705934395E+03 -0.25121E+00 -0.16121E-01 8472 0.229E+01 0.341E-01 RMM: 2 -0.349720559686E+03 -0.14625E-01 -0.10970E-01 4980 0.758E-01 0.986E-01 RMM: 3 -0.349713638371E+03 0.69213E-02 -0.10925E-02 5435 0.232E-01 0.277E-01 RMM: 4 -0.349714012493E+03 -0.37412E-03 -0.18780E-03 5060 0.103E-01 0.385E-01 RMM: 5 -0.349713111901E+03 0.90059E-03 -0.72625E-04 4607 0.725E-02 0.151E-01 RMM: 6 -0.349713025661E+03 0.86240E-04 -0.18219E-04 3884 0.348E-02 0.104E-01 RMM: 7 -0.349713054822E+03 -0.29161E-04 -0.99248E-05 3798 0.278E-02 0.124E-01 RMM: 8 -0.349712959295E+03 0.95527E-04 -0.51161E-05 3305 0.213E-02 0.338E-02 RMM: 9 -0.349712963973E+03 -0.46777E-05 -0.14785E-05 2511 0.109E-02 7681 T= 5860. E= 0.67696756E+03 F= 0.62848915E+03 E0= 0.65779695E+03 EK= 0.48478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350037592092E+03 -0.32463E+00 -0.16149E-01 8640 0.226E+01 0.364E-01 RMM: 2 -0.350054924477E+03 -0.17332E-01 -0.11054E-01 5095 0.753E-01 0.119E+00 RMM: 3 -0.350044975389E+03 0.99491E-02 -0.11219E-02 5462 0.234E-01 0.255E-01 RMM: 4 -0.350045672683E+03 -0.69729E-03 -0.20371E-03 5094 0.107E-01 0.429E-01 RMM: 5 -0.350044597709E+03 0.10750E-02 -0.69696E-04 4592 0.700E-02 0.182E-01 RMM: 6 -0.350044408490E+03 0.18922E-03 -0.19944E-04 3880 0.365E-02 0.808E-02 RMM: 7 -0.350044488803E+03 -0.80313E-04 -0.11046E-04 3866 0.279E-02 0.137E-01 RMM: 8 -0.350044368420E+03 0.12038E-03 -0.58762E-05 3403 0.228E-02 0.322E-02 RMM: 9 -0.350044374711E+03 -0.62909E-05 -0.15368E-05 2522 0.112E-02 7682 T= 5740. E= 0.67596495E+03 F= 0.62847602E+03 E0= 0.65777142E+03 EK= 0.47489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350396314656E+03 -0.35195E+00 -0.16508E-01 8832 0.226E+01 0.350E-01 RMM: 2 -0.350408803118E+03 -0.12488E-01 -0.10524E-01 5219 0.711E-01 0.864E-01 RMM: 3 -0.350403376161E+03 0.54270E-02 -0.92735E-03 5425 0.212E-01 0.282E-01 RMM: 4 -0.350404045485E+03 -0.66932E-03 -0.18445E-03 4960 0.102E-01 0.441E-01 RMM: 5 -0.350402830560E+03 0.12149E-02 -0.75233E-04 4606 0.724E-02 0.147E-01 RMM: 6 -0.350402729475E+03 0.10108E-03 -0.17074E-04 3889 0.333E-02 0.918E-02 RMM: 7 -0.350402774260E+03 -0.44786E-04 -0.10049E-04 3822 0.266E-02 0.124E-01 RMM: 8 -0.350402677314E+03 0.96946E-04 -0.57339E-05 3388 0.222E-02 0.376E-02 RMM: 9 -0.350402678855E+03 -0.15408E-05 -0.17196E-05 2530 0.119E-02 7683 T= 5825. E= 0.67662570E+03 F= 0.62843515E+03 E0= 0.65772057E+03 EK= 0.48191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350736919217E+03 -0.33424E+00 -0.17674E-01 8784 0.230E+01 0.356E-01 RMM: 2 -0.350752302224E+03 -0.15383E-01 -0.10814E-01 5226 0.724E-01 0.107E+00 RMM: 3 -0.350744016615E+03 0.82856E-02 -0.98566E-03 5476 0.216E-01 0.252E-01 RMM: 4 -0.350744879889E+03 -0.86327E-03 -0.19129E-03 4948 0.105E-01 0.457E-01 RMM: 5 -0.350743582604E+03 0.12973E-02 -0.68628E-04 4574 0.685E-02 0.151E-01 RMM: 6 -0.350743463019E+03 0.11958E-03 -0.16635E-04 3875 0.327E-02 0.830E-02 RMM: 7 -0.350743512716E+03 -0.49697E-04 -0.11040E-04 3874 0.271E-02 0.123E-01 RMM: 8 -0.350743417831E+03 0.94885E-04 -0.60072E-05 3419 0.226E-02 0.345E-02 RMM: 9 -0.350743420973E+03 -0.31424E-05 -0.16305E-05 2522 0.117E-02 7684 T= 6090. E= 0.67879002E+03 F= 0.62840589E+03 E0= 0.65768415E+03 EK= 0.50384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351023177648E+03 -0.27976E+00 -0.18794E-01 8928 0.236E+01 0.346E-01 RMM: 2 -0.351036612471E+03 -0.13435E-01 -0.10225E-01 5323 0.695E-01 0.948E-01 RMM: 3 -0.351029922335E+03 0.66901E-02 -0.88367E-03 5398 0.205E-01 0.269E-01 RMM: 4 -0.351030504392E+03 -0.58206E-03 -0.18342E-03 4857 0.103E-01 0.411E-01 RMM: 5 -0.351029482693E+03 0.10217E-02 -0.64230E-04 4595 0.658E-02 0.170E-01 RMM: 6 -0.351029309376E+03 0.17332E-03 -0.16966E-04 3888 0.333E-02 0.770E-02 RMM: 7 -0.351029377154E+03 -0.67778E-04 -0.12122E-04 3875 0.288E-02 0.130E-01 RMM: 8 -0.351029270341E+03 0.10681E-03 -0.65471E-05 3477 0.233E-02 0.372E-02 RMM: 9 -0.351029268867E+03 0.14744E-05 -0.15414E-05 2520 0.112E-02 7685 T= 6463. E= 0.68188846E+03 F= 0.62842222E+03 E0= 0.65769598E+03 EK= 0.53466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351231771070E+03 -0.20250E+00 -0.19956E-01 8856 0.243E+01 0.341E-01 RMM: 2 -0.351245494835E+03 -0.13724E-01 -0.99262E-02 5395 0.701E-01 0.101E+00 RMM: 3 -0.351238409081E+03 0.70858E-02 -0.83672E-03 5458 0.200E-01 0.266E-01 RMM: 4 -0.351239001471E+03 -0.59239E-03 -0.17590E-03 4817 0.101E-01 0.413E-01 RMM: 5 -0.351237945493E+03 0.10560E-02 -0.63446E-04 4573 0.653E-02 0.152E-01 RMM: 6 -0.351237822008E+03 0.12348E-03 -0.16455E-04 3887 0.332E-02 0.817E-02 RMM: 7 -0.351237887494E+03 -0.65486E-04 -0.11546E-04 3869 0.277E-02 0.131E-01 RMM: 8 -0.351237780755E+03 0.10674E-03 -0.63140E-05 3457 0.231E-02 0.404E-02 RMM: 9 -0.351237775176E+03 0.55793E-05 -0.14529E-05 2506 0.109E-02 7686 T= 6821. E= 0.68493069E+03 F= 0.62850608E+03 E0= 0.65777963E+03 EK= 0.56425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351359904851E+03 -0.12212E+00 -0.20230E-01 8832 0.247E+01 0.343E-01 RMM: 2 -0.351375064378E+03 -0.15160E-01 -0.95156E-02 5499 0.691E-01 0.111E+00 RMM: 3 -0.351366233309E+03 0.88311E-02 -0.82986E-03 5368 0.205E-01 0.251E-01 RMM: 4 -0.351366726608E+03 -0.49330E-03 -0.17648E-03 4851 0.998E-02 0.377E-01 RMM: 5 -0.351365911928E+03 0.81468E-03 -0.55119E-04 4578 0.614E-02 0.185E-01 RMM: 6 -0.351365702422E+03 0.20951E-03 -0.18344E-04 3890 0.352E-02 0.762E-02 RMM: 7 -0.351365780555E+03 -0.78133E-04 -0.12732E-04 3886 0.296E-02 0.134E-01 RMM: 8 -0.351365668971E+03 0.11158E-03 -0.65025E-05 3467 0.237E-02 0.399E-02 RMM: 9 -0.351365663568E+03 0.54031E-05 -0.13264E-05 2507 0.104E-02 7687 T= 7022. E= 0.68675779E+03 F= 0.62866307E+03 E0= 0.65794192E+03 EK= 0.58095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351420516941E+03 -0.54848E-01 -0.19513E-01 8628 0.248E+01 0.326E-01 RMM: 2 -0.351433697967E+03 -0.13181E-01 -0.89471E-02 5496 0.675E-01 0.102E+00 RMM: 3 -0.351426500031E+03 0.71979E-02 -0.75893E-03 5367 0.196E-01 0.256E-01 RMM: 4 -0.351426940330E+03 -0.44030E-03 -0.16184E-03 4822 0.965E-02 0.377E-01 RMM: 5 -0.351426117588E+03 0.82274E-03 -0.57939E-04 4561 0.632E-02 0.165E-01 RMM: 6 -0.351425972088E+03 0.14550E-03 -0.17665E-04 3884 0.351E-02 0.831E-02 RMM: 7 -0.351426042313E+03 -0.70225E-04 -0.11030E-04 3848 0.278E-02 0.133E-01 RMM: 8 -0.351425934059E+03 0.10825E-03 -0.57140E-05 3387 0.227E-02 0.406E-02 RMM: 9 -0.351425928076E+03 0.59829E-05 -0.13347E-05 2501 0.105E-02 7688 T= 6979. E= 0.68662255E+03 F= 0.62888449E+03 E0= 0.65817615E+03 EK= 0.57738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351429999968E+03 -0.40659E-02 -0.18028E-01 8160 0.244E+01 0.325E-01 RMM: 2 -0.351444547745E+03 -0.14548E-01 -0.81564E-02 5209 0.654E-01 0.115E+00 RMM: 3 -0.351435192999E+03 0.93547E-02 -0.82646E-03 5365 0.205E-01 0.221E-01 RMM: 4 -0.351435729915E+03 -0.53692E-03 -0.15933E-03 4860 0.952E-02 0.373E-01 RMM: 5 -0.351434956468E+03 0.77345E-03 -0.54288E-04 4593 0.624E-02 0.181E-01 RMM: 6 -0.351434763236E+03 0.19323E-03 -0.19104E-04 3882 0.361E-02 0.753E-02 RMM: 7 -0.351434801467E+03 -0.38231E-04 -0.84849E-05 3633 0.258E-02 0.109E-01 RMM: 8 -0.351434728520E+03 0.72947E-04 -0.39346E-05 3127 0.194E-02 0.297E-02 RMM: 9 -0.351434732080E+03 -0.35606E-05 -0.11212E-05 2484 0.937E-03 7689 T= 6711. E= 0.68468038E+03 F= 0.62915883E+03 E0= 0.65847088E+03 EK= 0.55522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351394827194E+03 0.39901E-01 -0.16681E-01 7884 0.238E+01 0.303E-01 RMM: 2 -0.351404234999E+03 -0.94078E-02 -0.65769E-02 5127 0.598E-01 0.878E-01 RMM: 3 -0.351398844909E+03 0.53901E-02 -0.64631E-03 5360 0.180E-01 0.239E-01 RMM: 4 -0.351399271064E+03 -0.42615E-03 -0.13945E-03 4729 0.914E-02 0.364E-01 RMM: 5 -0.351398505195E+03 0.76587E-03 -0.58329E-04 4592 0.652E-02 0.155E-01 RMM: 6 -0.351398385336E+03 0.11986E-03 -0.16566E-04 3876 0.337E-02 0.839E-02 RMM: 7 -0.351398414456E+03 -0.29121E-04 -0.74082E-05 3549 0.247E-02 0.109E-01 RMM: 8 -0.351398340394E+03 0.74062E-04 -0.36559E-05 3085 0.190E-02 0.265E-02 RMM: 9 -0.351398347133E+03 -0.67384E-05 -0.11825E-05 2481 0.969E-03 7690 T= 6333. E= 0.68187719E+03 F= 0.62948331E+03 E0= 0.65882318E+03 EK= 0.52394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351308042999E+03 0.90297E-01 -0.16171E-01 8040 0.232E+01 0.323E-01 RMM: 2 -0.351318620595E+03 -0.10578E-01 -0.61552E-02 5243 0.585E-01 0.103E+00 RMM: 3 -0.351311528358E+03 0.70922E-02 -0.63117E-03 5400 0.179E-01 0.255E-01 RMM: 4 -0.351311742312E+03 -0.21395E-03 -0.15020E-03 4701 0.940E-02 0.326E-01 RMM: 5 -0.351311201907E+03 0.54040E-03 -0.58637E-04 4604 0.656E-02 0.193E-01 RMM: 6 -0.351310983362E+03 0.21855E-03 -0.19895E-04 3886 0.372E-02 0.782E-02 RMM: 7 -0.351311041354E+03 -0.57993E-04 -0.10108E-04 3795 0.282E-02 0.123E-01 RMM: 8 -0.351310947743E+03 0.93612E-04 -0.48964E-05 3271 0.215E-02 0.347E-02 RMM: 9 -0.351310947968E+03 -0.22537E-06 -0.12194E-05 2495 0.100E-02 7691 T= 5983. E= 0.67936434E+03 F= 0.62986484E+03 E0= 0.65923795E+03 EK= 0.49500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351160510101E+03 0.15044E+00 -0.15549E-01 8340 0.226E+01 0.322E-01 RMM: 2 -0.351171217387E+03 -0.10707E-01 -0.63866E-02 5250 0.575E-01 0.100E+00 RMM: 3 -0.351164155707E+03 0.70617E-02 -0.64485E-03 5410 0.179E-01 0.253E-01 RMM: 4 -0.351164626038E+03 -0.47033E-03 -0.15306E-03 4715 0.946E-02 0.375E-01 RMM: 5 -0.351163799341E+03 0.82670E-03 -0.60272E-04 4598 0.655E-02 0.165E-01 RMM: 6 -0.351163657529E+03 0.14181E-03 -0.19133E-04 3883 0.361E-02 0.860E-02 RMM: 7 -0.351163707261E+03 -0.49732E-04 -0.90213E-05 3668 0.264E-02 0.123E-01 RMM: 8 -0.351163612920E+03 0.94342E-04 -0.49427E-05 3270 0.217E-02 0.328E-02 RMM: 9 -0.351163616213E+03 -0.32938E-05 -0.13646E-05 2497 0.106E-02 7692 T= 5766. E= 0.67801084E+03 F= 0.63031053E+03 E0= 0.65972110E+03 EK= 0.47700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350947356289E+03 0.21626E+00 -0.15398E-01 8532 0.223E+01 0.324E-01 RMM: 2 -0.350959137119E+03 -0.11781E-01 -0.64286E-02 5384 0.560E-01 0.109E+00 RMM: 3 -0.350950843273E+03 0.82938E-02 -0.61376E-03 5365 0.178E-01 0.247E-01 RMM: 4 -0.350951208187E+03 -0.36491E-03 -0.15705E-03 4641 0.949E-02 0.349E-01 RMM: 5 -0.350950562495E+03 0.64569E-03 -0.52665E-04 4577 0.609E-02 0.191E-01 RMM: 6 -0.350950338212E+03 0.22428E-03 -0.18091E-04 3879 0.349E-02 0.705E-02 RMM: 7 -0.350950385296E+03 -0.47084E-04 -0.88510E-05 3701 0.263E-02 0.111E-01 RMM: 8 -0.350950309230E+03 0.76065E-04 -0.43888E-05 3185 0.204E-02 0.316E-02 RMM: 9 -0.350950313167E+03 -0.39367E-05 -0.12577E-05 2497 0.996E-03 7693 T= 5735. E= 0.67826601E+03 F= 0.63082233E+03 E0= 0.66027224E+03 EK= 0.47444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350664951459E+03 0.28536E+00 -0.15535E-01 8832 0.224E+01 0.311E-01 RMM: 2 -0.350675268036E+03 -0.10317E-01 -0.66137E-02 5363 0.554E-01 0.955E-01 RMM: 3 -0.350668819627E+03 0.64484E-02 -0.62604E-03 5389 0.174E-01 0.247E-01 RMM: 4 -0.350669315308E+03 -0.49568E-03 -0.14714E-03 4650 0.923E-02 0.375E-01 RMM: 5 -0.350668458562E+03 0.85675E-03 -0.52891E-04 4491 0.598E-02 0.148E-01 RMM: 6 -0.350668342491E+03 0.11607E-03 -0.14782E-04 3882 0.317E-02 0.767E-02 RMM: 7 -0.350668384308E+03 -0.41817E-04 -0.77943E-05 3581 0.239E-02 0.113E-01 RMM: 8 -0.350668304223E+03 0.80086E-04 -0.45422E-05 3196 0.209E-02 0.280E-02 RMM: 9 -0.350668310573E+03 -0.63500E-05 -0.13879E-05 2498 0.105E-02 7694 T= 5899. E= 0.68020056E+03 F= 0.63139796E+03 E0= 0.66088789E+03 EK= 0.48803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350311789287E+03 0.35651E+00 -0.16248E-01 8856 0.227E+01 0.295E-01 RMM: 2 -0.350321025805E+03 -0.92365E-02 -0.69179E-02 5403 0.554E-01 0.832E-01 RMM: 3 -0.350315921123E+03 0.51047E-02 -0.56997E-03 5380 0.162E-01 0.213E-01 RMM: 4 -0.350316464897E+03 -0.54377E-03 -0.13748E-03 4617 0.896E-02 0.365E-01 RMM: 5 -0.350315633637E+03 0.83126E-03 -0.49078E-04 4322 0.576E-02 0.137E-01 RMM: 6 -0.350315536969E+03 0.96668E-04 -0.12799E-04 3875 0.292E-02 0.758E-02 RMM: 7 -0.350315545976E+03 -0.90068E-05 -0.62317E-05 3447 0.221E-02 7695 T= 6223. E= 0.68351247E+03 F= 0.63203529E+03 E0= 0.66156372E+03 EK= 0.51477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349884507470E+03 0.43103E+00 -0.17343E-01 8988 0.233E+01 0.297E-01 RMM: 2 -0.349893826289E+03 -0.93188E-02 -0.74077E-02 5404 0.573E-01 0.795E-01 RMM: 3 -0.349889215842E+03 0.46104E-02 -0.61335E-03 5417 0.166E-01 0.234E-01 RMM: 4 -0.349889773239E+03 -0.55740E-03 -0.14206E-03 4648 0.916E-02 0.380E-01 RMM: 5 -0.349888838912E+03 0.93433E-03 -0.56371E-04 4408 0.610E-02 0.114E-01 RMM: 6 -0.349888802941E+03 0.35970E-04 -0.12035E-04 3869 0.280E-02 0.931E-02 RMM: 7 -0.349888807352E+03 -0.44111E-05 -0.75741E-05 3622 0.233E-02 7696 T= 6615. E= 0.68746326E+03 F= 0.63273557E+03 E0= 0.66230028E+03 EK= 0.54728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349381173243E+03 0.50763E+00 -0.18694E-01 9000 0.238E+01 0.292E-01 RMM: 2 -0.349392292375E+03 -0.11119E-01 -0.86214E-02 5347 0.617E-01 0.852E-01 RMM: 3 -0.349386757951E+03 0.55344E-02 -0.68745E-03 5394 0.179E-01 0.204E-01 RMM: 4 -0.349387309397E+03 -0.55145E-03 -0.13218E-03 4662 0.857E-02 0.364E-01 RMM: 5 -0.349386507455E+03 0.80194E-03 -0.44378E-04 4166 0.543E-02 0.140E-01 RMM: 6 -0.349386395258E+03 0.11220E-03 -0.13374E-04 3876 0.308E-02 0.657E-02 RMM: 7 -0.349386453868E+03 -0.58610E-04 -0.71231E-05 3545 0.225E-02 0.115E-01 RMM: 8 -0.349386369404E+03 0.84464E-04 -0.44177E-05 3170 0.206E-02 0.290E-02 RMM: 9 -0.349386371309E+03 -0.19049E-05 -0.13244E-05 2488 0.104E-02 7697 T= 6941. E= 0.69091894E+03 F= 0.63350134E+03 E0= 0.66309702E+03 EK= 0.57418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348813994064E+03 0.57238E+00 -0.19751E-01 8844 0.241E+01 0.266E-01 RMM: 2 -0.348825034129E+03 -0.11040E-01 -0.94768E-02 5419 0.630E-01 0.733E-01 RMM: 3 -0.348820397725E+03 0.46364E-02 -0.64206E-03 5511 0.169E-01 0.185E-01 RMM: 4 -0.348820860801E+03 -0.46308E-03 -0.10487E-03 4643 0.768E-02 0.341E-01 RMM: 5 -0.348820125335E+03 0.73547E-03 -0.41304E-04 4110 0.530E-02 0.102E-01 RMM: 6 -0.348820085988E+03 0.39347E-04 -0.10751E-04 3814 0.273E-02 0.744E-02 RMM: 7 -0.348820094540E+03 -0.85519E-05 -0.50428E-05 3252 0.198E-02 7698 T= 7061. E= 0.69273895E+03 F= 0.63432397E+03 E0= 0.66394593E+03 EK= 0.58415E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348208944277E+03 0.61114E+00 -0.19729E-01 8880 0.241E+01 0.292E-01 RMM: 2 -0.348220512194E+03 -0.11568E-01 -0.96255E-02 5383 0.652E-01 0.797E-01 RMM: 3 -0.348215413695E+03 0.50985E-02 -0.71414E-03 5646 0.177E-01 0.206E-01 RMM: 4 -0.348215796311E+03 -0.38262E-03 -0.12888E-03 4654 0.864E-02 0.340E-01 RMM: 5 -0.348215055599E+03 0.74071E-03 -0.52569E-04 4436 0.597E-02 0.113E-01 RMM: 6 -0.348215039697E+03 0.15902E-04 -0.13585E-04 3885 0.303E-02 7699 T= 6921. E= 0.69243649E+03 F= 0.63518287E+03 E0= 0.66482419E+03 EK= 0.57254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347600544912E+03 0.61451E+00 -0.19260E-01 8700 0.236E+01 0.398E-01 RMM: 2 -0.347630238540E+03 -0.29694E-01 -0.10629E-01 5208 0.722E-01 0.182E+00 RMM: 3 -0.347607808059E+03 0.22430E-01 -0.14624E-02 5351 0.288E-01 0.388E-01 RMM: 4 -0.347606996804E+03 0.81125E-03 -0.20711E-03 4888 0.980E-02 0.222E-01 RMM: 5 -0.347607042846E+03 -0.46042E-04 -0.73492E-04 4607 0.706E-02 0.254E-01 RMM: 6 -0.347606654900E+03 0.38795E-03 -0.35097E-04 3949 0.494E-02 0.101E-01 RMM: 7 -0.347606707603E+03 -0.52704E-04 -0.15440E-04 3883 0.334E-02 0.133E-01 RMM: 8 -0.347606609309E+03 0.98294E-04 -0.67338E-05 3515 0.249E-02 0.572E-02 RMM: 9 -0.347606594759E+03 0.14550E-04 -0.17900E-05 2561 0.127E-02 7700 T= 6584. E= 0.69051318E+03 F= 0.63604685E+03 E0= 0.66570415E+03 EK= 0.54466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347028295120E+03 0.57831E+00 -0.17777E-01 8676 0.231E+01 0.425E-01 RMM: 2 -0.347067264638E+03 -0.38970E-01 -0.10415E-01 5257 0.717E-01 0.219E+00 RMM: 3 -0.347035249171E+03 0.32015E-01 -0.16171E-02 5337 0.310E-01 0.448E-01 RMM: 4 -0.347033928624E+03 0.13205E-02 -0.25786E-03 5009 0.111E-01 0.189E-01 RMM: 5 -0.347034131797E+03 -0.20317E-03 -0.63806E-04 4597 0.636E-02 0.275E-01 RMM: 6 -0.347033656339E+03 0.47546E-03 -0.29917E-04 3917 0.471E-02 0.828E-02 RMM: 7 -0.347033675251E+03 -0.18912E-04 -0.12226E-04 3865 0.294E-02 7701 T= 6191. E= 0.68809954E+03 F= 0.63687962E+03 E0= 0.66654921E+03 EK= 0.51220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346520106132E+03 0.51355E+00 -0.16442E-01 8712 0.225E+01 0.325E-01 RMM: 2 -0.346538973416E+03 -0.18867E-01 -0.89763E-02 5333 0.653E-01 0.135E+00 RMM: 3 -0.346526174185E+03 0.12799E-01 -0.91372E-03 5373 0.217E-01 0.278E-01 RMM: 4 -0.346525984523E+03 0.18966E-03 -0.14712E-03 4667 0.875E-02 0.259E-01 RMM: 5 -0.346525814093E+03 0.17043E-03 -0.74170E-04 4608 0.748E-02 0.231E-01 RMM: 6 -0.346525521132E+03 0.29296E-03 -0.30385E-04 3909 0.452E-02 0.104E-01 RMM: 7 -0.346525602857E+03 -0.81726E-04 -0.17275E-04 3882 0.367E-02 0.152E-01 RMM: 8 -0.346525460785E+03 0.14207E-03 -0.79722E-05 3593 0.267E-02 0.489E-02 RMM: 9 -0.346525453548E+03 0.72371E-05 -0.18057E-05 2552 0.126E-02 7702 T= 5882. E= 0.68630814E+03 F= 0.63765209E+03 E0= 0.66733230E+03 EK= 0.48656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346090533517E+03 0.43493E+00 -0.15710E-01 8700 0.222E+01 0.288E-01 RMM: 2 -0.346106582298E+03 -0.16049E-01 -0.88879E-02 5193 0.653E-01 0.118E+00 RMM: 3 -0.346096646529E+03 0.99358E-02 -0.85895E-03 5419 0.202E-01 0.178E-01 RMM: 4 -0.346097058851E+03 -0.41232E-03 -0.12972E-03 4652 0.833E-02 0.329E-01 RMM: 5 -0.346096437288E+03 0.62156E-03 -0.44376E-04 4425 0.551E-02 0.144E-01 RMM: 6 -0.346096345565E+03 0.91724E-04 -0.16970E-04 3883 0.339E-02 0.877E-02 RMM: 7 -0.346096376263E+03 -0.30698E-04 -0.83217E-05 3623 0.258E-02 0.110E-01 RMM: 8 -0.346096299984E+03 0.76279E-04 -0.41304E-05 3143 0.199E-02 0.277E-02 RMM: 9 -0.346096301503E+03 -0.15195E-05 -0.10315E-05 2471 0.910E-03 7703 T= 5743. E= 0.68585632E+03 F= 0.63834752E+03 E0= 0.66803727E+03 EK= 0.47509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345737631878E+03 0.35867E+00 -0.15589E-01 8232 0.222E+01 0.302E-01 RMM: 2 -0.345751147568E+03 -0.13516E-01 -0.93352E-02 5095 0.686E-01 0.994E-01 RMM: 3 -0.345744197455E+03 0.69501E-02 -0.99084E-03 5471 0.214E-01 0.242E-01 RMM: 4 -0.345744249988E+03 -0.52534E-04 -0.13957E-03 4708 0.868E-02 0.283E-01 RMM: 5 -0.345743796435E+03 0.45355E-03 -0.46631E-04 4463 0.556E-02 0.154E-01 RMM: 6 -0.345743684111E+03 0.11232E-03 -0.16023E-04 3880 0.333E-02 0.879E-02 RMM: 7 -0.345743733114E+03 -0.49003E-04 -0.99781E-05 3771 0.272E-02 0.123E-01 RMM: 8 -0.345743639531E+03 0.93583E-04 -0.47608E-05 3242 0.212E-02 0.392E-02 RMM: 9 -0.345743633894E+03 0.56370E-05 -0.13743E-05 2494 0.107E-02 7704 T= 5810. E= 0.68702897E+03 F= 0.63896449E+03 E0= 0.66866347E+03 EK= 0.48064E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345446240901E+03 0.29740E+00 -0.16017E-01 8352 0.225E+01 0.297E-01 RMM: 2 -0.345460381060E+03 -0.14140E-01 -0.90975E-02 5162 0.676E-01 0.106E+00 RMM: 3 -0.345452550737E+03 0.78303E-02 -0.88147E-03 5535 0.196E-01 0.185E-01 RMM: 4 -0.345453099360E+03 -0.54862E-03 -0.13673E-03 4690 0.880E-02 0.370E-01 RMM: 5 -0.345452273844E+03 0.82552E-03 -0.46467E-04 4344 0.552E-02 0.129E-01 RMM: 6 -0.345452200710E+03 0.73134E-04 -0.13310E-04 3869 0.299E-02 0.823E-02 RMM: 7 -0.345452220432E+03 -0.19722E-04 -0.73411E-05 3560 0.237E-02 7705 T= 6069. E= 0.68972050E+03 F= 0.63951414E+03 E0= 0.66922256E+03 EK= 0.50206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345196244172E+03 0.25596E+00 -0.16411E-01 8460 0.231E+01 0.295E-01 RMM: 2 -0.345206962355E+03 -0.10718E-01 -0.90251E-02 5203 0.680E-01 0.791E-01 RMM: 3 -0.345202715293E+03 0.42471E-02 -0.83877E-03 5534 0.187E-01 0.236E-01 RMM: 4 -0.345203166840E+03 -0.45155E-03 -0.13502E-03 4689 0.884E-02 0.376E-01 RMM: 5 -0.345202267537E+03 0.89930E-03 -0.50062E-04 4324 0.565E-02 0.113E-01 RMM: 6 -0.345202231421E+03 0.36116E-04 -0.12614E-04 3845 0.294E-02 0.910E-02 RMM: 7 -0.345202254640E+03 -0.23219E-04 -0.76382E-05 3650 0.234E-02 0.111E-01 RMM: 8 -0.345202177287E+03 0.77353E-04 -0.38632E-05 3096 0.191E-02 0.262E-02 RMM: 9 -0.345202185316E+03 -0.80286E-05 -0.14582E-05 2496 0.107E-02 7706 T= 6453. E= 0.69339645E+03 F= 0.64001366E+03 E0= 0.66973224E+03 EK= 0.53383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344976571848E+03 0.22561E+00 -0.17397E-01 8244 0.238E+01 0.299E-01 RMM: 2 -0.344990775863E+03 -0.14204E-01 -0.97457E-02 5186 0.728E-01 0.104E+00 RMM: 3 -0.344983455941E+03 0.73199E-02 -0.96331E-03 5581 0.203E-01 0.186E-01 RMM: 4 -0.344983929905E+03 -0.47396E-03 -0.13589E-03 4740 0.887E-02 0.351E-01 RMM: 5 -0.344983202973E+03 0.72693E-03 -0.40522E-04 4135 0.507E-02 0.147E-01 RMM: 6 -0.344983070682E+03 0.13229E-03 -0.12665E-04 3856 0.305E-02 0.542E-02 RMM: 7 -0.344983113522E+03 -0.42840E-04 -0.64665E-05 3468 0.216E-02 0.102E-01 RMM: 8 -0.344983045743E+03 0.67779E-04 -0.36347E-05 3015 0.190E-02 0.209E-02 RMM: 9 -0.344983049433E+03 -0.36891E-05 -0.11705E-05 2469 0.967E-03 7707 T= 6839. E= 0.69705064E+03 F= 0.64047321E+03 E0= 0.67020374E+03 EK= 0.56577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344798809572E+03 0.18424E+00 -0.17916E-01 8112 0.242E+01 0.284E-01 RMM: 2 -0.344808543174E+03 -0.97336E-02 -0.94615E-02 5272 0.713E-01 0.644E-01 RMM: 3 -0.344805774973E+03 0.27682E-02 -0.83495E-03 5738 0.180E-01 0.228E-01 RMM: 4 -0.344806158830E+03 -0.38386E-03 -0.10908E-03 4666 0.806E-02 0.364E-01 RMM: 5 -0.344805297627E+03 0.86120E-03 -0.44946E-04 4215 0.536E-02 0.108E-01 RMM: 6 -0.344805254822E+03 0.42805E-04 -0.12463E-04 3853 0.300E-02 0.782E-02 RMM: 7 -0.344805281085E+03 -0.26263E-04 -0.67028E-05 3513 0.217E-02 0.107E-01 RMM: 8 -0.344805209805E+03 0.71280E-04 -0.35998E-05 3010 0.186E-02 0.291E-02 RMM: 9 -0.344805211956E+03 -0.21511E-05 -0.13330E-05 2483 0.102E-02 7708 T= 7076. E= 0.69942524E+03 F= 0.64088453E+03 E0= 0.67063028E+03 EK= 0.58541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344700820929E+03 0.10439E+00 -0.18126E-01 7956 0.243E+01 0.275E-01 RMM: 2 -0.344712046153E+03 -0.11225E-01 -0.10431E-01 5178 0.750E-01 0.697E-01 RMM: 3 -0.344708607956E+03 0.34382E-02 -0.94369E-03 5794 0.189E-01 0.184E-01 RMM: 4 -0.344708976774E+03 -0.36882E-03 -0.10762E-03 4754 0.814E-02 0.338E-01 RMM: 5 -0.344708250165E+03 0.72661E-03 -0.40335E-04 4156 0.517E-02 0.114E-01 RMM: 6 -0.344708201272E+03 0.48893E-04 -0.11252E-04 3830 0.286E-02 0.800E-02 RMM: 7 -0.344708237757E+03 -0.36485E-04 -0.74079E-05 3566 0.229E-02 0.112E-01 RMM: 8 -0.344708157972E+03 0.79785E-04 -0.42638E-05 3133 0.202E-02 0.239E-02 RMM: 9 -0.344708162557E+03 -0.45848E-05 -0.12114E-05 2476 0.977E-03 7709 T= 7061. E= 0.69962191E+03 F= 0.64121201E+03 E0= 0.67097745E+03 EK= 0.58410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344748643816E+03 -0.40486E-01 -0.17622E-01 8064 0.240E+01 0.265E-01 RMM: 2 -0.344759971409E+03 -0.11328E-01 -0.97979E-02 5148 0.721E-01 0.745E-01 RMM: 3 -0.344755847655E+03 0.41238E-02 -0.84154E-03 5671 0.190E-01 0.202E-01 RMM: 4 -0.344756060339E+03 -0.21268E-03 -0.10810E-03 4756 0.816E-02 0.298E-01 RMM: 5 -0.344755547047E+03 0.51329E-03 -0.38737E-04 4202 0.511E-02 0.145E-01 RMM: 6 -0.344755440963E+03 0.10608E-03 -0.15056E-04 3881 0.337E-02 0.746E-02 RMM: 7 -0.344755499400E+03 -0.58437E-04 -0.68852E-05 3498 0.230E-02 0.122E-01 RMM: 8 -0.344755405481E+03 0.93919E-04 -0.35895E-05 3016 0.190E-02 0.272E-02 RMM: 9 -0.344755407228E+03 -0.17470E-05 -0.12010E-05 2473 0.961E-03 7710 T= 6805. E= 0.69769078E+03 F= 0.64139650E+03 E0= 0.67118680E+03 EK= 0.56294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345012840440E+03 -0.25743E+00 -0.16907E-01 8292 0.233E+01 0.243E-01 RMM: 2 -0.345023252236E+03 -0.10412E-01 -0.99050E-02 5245 0.705E-01 0.595E-01 RMM: 3 -0.345020144915E+03 0.31073E-02 -0.75719E-03 5583 0.184E-01 0.191E-01 RMM: 4 -0.345020410440E+03 -0.26552E-03 -0.97398E-04 4757 0.777E-02 0.298E-01 RMM: 5 -0.345019848189E+03 0.56225E-03 -0.39969E-04 4253 0.529E-02 0.109E-01 RMM: 6 -0.345019841813E+03 0.63767E-05 -0.17005E-04 3884 0.348E-02 7711 T= 6431. E= 0.69456632E+03 F= 0.64136865E+03 E0= 0.67118874E+03 EK= 0.53198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345548781835E+03 -0.52893E+00 -0.16543E-01 8520 0.227E+01 0.374E-01 RMM: 2 -0.345580460808E+03 -0.31679E-01 -0.10689E-01 5225 0.746E-01 0.188E+00 RMM: 3 -0.345556124586E+03 0.24336E-01 -0.13200E-02 5362 0.276E-01 0.344E-01 RMM: 4 -0.345555644219E+03 0.48037E-03 -0.19771E-03 5038 0.994E-02 0.237E-01 RMM: 5 -0.345555496223E+03 0.14800E-03 -0.63630E-04 4602 0.660E-02 0.219E-01 RMM: 6 -0.345555262386E+03 0.23384E-03 -0.31843E-04 3923 0.473E-02 0.118E-01 RMM: 7 -0.345555356234E+03 -0.93848E-04 -0.16959E-04 3887 0.358E-02 0.165E-01 RMM: 8 -0.345555192907E+03 0.16333E-03 -0.95318E-05 3764 0.288E-02 0.539E-02 RMM: 9 -0.345555183024E+03 0.98834E-05 -0.21366E-05 2647 0.136E-02 7712 T= 6088. E= 0.69143847E+03 F= 0.64107632E+03 E0= 0.67093307E+03 EK= 0.50362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346381290095E+03 -0.82610E+00 -0.16783E-01 8628 0.222E+01 0.374E-01 RMM: 2 -0.346420606555E+03 -0.39316E-01 -0.11009E-01 5187 0.749E-01 0.215E+00 RMM: 3 -0.346388630035E+03 0.31977E-01 -0.14432E-02 5366 0.289E-01 0.305E-01 RMM: 4 -0.346388250733E+03 0.37930E-03 -0.21077E-03 5050 0.102E-01 0.236E-01 RMM: 5 -0.346388205183E+03 0.45550E-04 -0.51199E-04 4554 0.589E-02 0.231E-01 RMM: 6 -0.346387855431E+03 0.34975E-03 -0.20350E-04 3879 0.382E-02 0.574E-02 RMM: 7 -0.346387918667E+03 -0.63235E-04 -0.91975E-05 3668 0.254E-02 0.116E-01 RMM: 8 -0.346387846980E+03 0.71687E-04 -0.41284E-05 3129 0.201E-02 0.496E-02 RMM: 9 -0.346387832858E+03 0.14122E-04 -0.12349E-05 2495 0.105E-02 7713 T= 5887. E= 0.68919441E+03 F= 0.64049245E+03 E0= 0.67039106E+03 EK= 0.48702E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347501619921E+03 -0.11138E+01 -0.17432E-01 8844 0.221E+01 0.338E-01 RMM: 2 -0.347522410423E+03 -0.20791E-01 -0.11000E-01 5300 0.730E-01 0.138E+00 RMM: 3 -0.347509178622E+03 0.13232E-01 -0.10606E-02 5375 0.236E-01 0.267E-01 RMM: 4 -0.347509194043E+03 -0.15420E-04 -0.16846E-03 4797 0.931E-02 0.287E-01 RMM: 5 -0.347508855265E+03 0.33878E-03 -0.46922E-04 4505 0.549E-02 0.209E-01 RMM: 6 -0.347508599003E+03 0.25626E-03 -0.21037E-04 3886 0.382E-02 0.811E-02 RMM: 7 -0.347508686471E+03 -0.87469E-04 -0.12952E-04 3879 0.306E-02 0.141E-01 RMM: 8 -0.347508564881E+03 0.12159E-03 -0.66243E-05 3482 0.241E-02 0.436E-02 RMM: 9 -0.347508558245E+03 0.66360E-05 -0.15928E-05 2519 0.117E-02 7714 T= 5879. E= 0.68825524E+03 F= 0.63962366E+03 E0= 0.66957038E+03 EK= 0.48632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348864173948E+03 -0.13556E+01 -0.18477E-01 8928 0.224E+01 0.322E-01 RMM: 2 -0.348884258624E+03 -0.20085E-01 -0.12049E-01 5290 0.740E-01 0.127E+00 RMM: 3 -0.348872542384E+03 0.11716E-01 -0.10479E-02 5419 0.224E-01 0.209E-01 RMM: 4 -0.348873075565E+03 -0.53318E-03 -0.16728E-03 4808 0.947E-02 0.369E-01 RMM: 5 -0.348872301638E+03 0.77393E-03 -0.49245E-04 4474 0.567E-02 0.160E-01 RMM: 6 -0.348872150219E+03 0.15142E-03 -0.14740E-04 3871 0.313E-02 0.654E-02 RMM: 7 -0.348872222474E+03 -0.72255E-04 -0.96075E-05 3737 0.255E-02 0.124E-01 RMM: 8 -0.348872128266E+03 0.94208E-04 -0.52795E-05 3320 0.220E-02 0.335E-02 RMM: 9 -0.348872128039E+03 0.22704E-06 -0.12569E-05 2502 0.102E-02 7715 T= 6056. E= 0.68861246E+03 F= 0.63851180E+03 E0= 0.66851339E+03 EK= 0.50101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350385324776E+03 -0.15132E+01 -0.20971E-01 8832 0.229E+01 0.310E-01 RMM: 2 -0.350401856627E+03 -0.16532E-01 -0.14144E-01 5257 0.808E-01 0.875E-01 RMM: 3 -0.350395859338E+03 0.59973E-02 -0.11312E-02 5523 0.223E-01 0.240E-01 RMM: 4 -0.350396315860E+03 -0.45652E-03 -0.15967E-03 4831 0.937E-02 0.375E-01 RMM: 5 -0.350395445950E+03 0.86991E-03 -0.49629E-04 4373 0.552E-02 0.139E-01 RMM: 6 -0.350395344892E+03 0.10106E-03 -0.12770E-04 3872 0.293E-02 0.715E-02 RMM: 7 -0.350395393312E+03 -0.48420E-04 -0.82622E-05 3670 0.236E-02 0.114E-01 RMM: 8 -0.350395312324E+03 0.80989E-04 -0.50331E-05 3256 0.211E-02 0.317E-02 RMM: 9 -0.350395315250E+03 -0.29266E-05 -0.16734E-05 2506 0.118E-02 7716 T= 6361. E= 0.68985792E+03 F= 0.63723728E+03 E0= 0.66730128E+03 EK= 0.52621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351947705049E+03 -0.15524E+01 -0.23579E-01 8952 0.236E+01 0.325E-01 RMM: 2 -0.351967015437E+03 -0.19310E-01 -0.15561E-01 5209 0.851E-01 0.101E+00 RMM: 3 -0.351959206347E+03 0.78091E-02 -0.12381E-02 5609 0.233E-01 0.244E-01 RMM: 4 -0.351959736866E+03 -0.53052E-03 -0.17961E-03 4916 0.100E-01 0.396E-01 RMM: 5 -0.351958754952E+03 0.98191E-03 -0.55871E-04 4511 0.598E-02 0.136E-01 RMM: 6 -0.351958650478E+03 0.10447E-03 -0.12333E-04 3857 0.282E-02 0.655E-02 RMM: 7 -0.351958703574E+03 -0.53096E-04 -0.89677E-05 3751 0.242E-02 0.116E-01 RMM: 8 -0.351958621191E+03 0.82383E-04 -0.51845E-05 3283 0.210E-02 0.327E-02 RMM: 9 -0.351958624878E+03 -0.36876E-05 -0.16533E-05 2513 0.116E-02 7717 T= 6683. E= 0.69120567E+03 F= 0.63591848E+03 E0= 0.66605267E+03 EK= 0.55287E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353416835927E+03 -0.14582E+01 -0.25597E-01 9012 0.241E+01 0.319E-01 RMM: 2 -0.353436205244E+03 -0.19369E-01 -0.17035E-01 5256 0.883E-01 0.888E-01 RMM: 3 -0.353429648013E+03 0.65572E-02 -0.13369E-02 5644 0.236E-01 0.240E-01 RMM: 4 -0.353430120090E+03 -0.47208E-03 -0.17195E-03 4943 0.982E-02 0.391E-01 RMM: 5 -0.353429199502E+03 0.92059E-03 -0.53804E-04 4455 0.577E-02 0.152E-01 RMM: 6 -0.353429069873E+03 0.12963E-03 -0.14753E-04 3880 0.312E-02 0.692E-02 RMM: 7 -0.353429132373E+03 -0.62500E-04 -0.90726E-05 3762 0.246E-02 0.122E-01 RMM: 8 -0.353429038086E+03 0.94286E-04 -0.54077E-05 3321 0.212E-02 0.325E-02 RMM: 9 -0.353429041499E+03 -0.34132E-05 -0.18272E-05 2529 0.122E-02 7718 T= 6890. E= 0.69168431E+03 F= 0.63468937E+03 E0= 0.66490067E+03 EK= 0.56995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354683352420E+03 -0.12543E+01 -0.27152E-01 9060 0.243E+01 0.309E-01 RMM: 2 -0.354703205911E+03 -0.19853E-01 -0.16780E-01 5230 0.881E-01 0.945E-01 RMM: 3 -0.354696137748E+03 0.70682E-02 -0.12771E-02 5632 0.238E-01 0.237E-01 RMM: 4 -0.354696526485E+03 -0.38874E-03 -0.17088E-03 5000 0.982E-02 0.367E-01 RMM: 5 -0.354695679715E+03 0.84677E-03 -0.54695E-04 4536 0.594E-02 0.122E-01 RMM: 6 -0.354695616969E+03 0.62747E-04 -0.12527E-04 3862 0.284E-02 0.824E-02 RMM: 7 -0.354695667350E+03 -0.50381E-04 -0.99902E-05 3816 0.256E-02 0.123E-01 RMM: 8 -0.354695576381E+03 0.90969E-04 -0.53501E-05 3316 0.215E-02 0.373E-02 RMM: 9 -0.354695573672E+03 0.27084E-05 -0.14187E-05 2502 0.107E-02 7719 T= 6884. E= 0.69060953E+03 F= 0.63366351E+03 E0= 0.66395670E+03 EK= 0.56946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355697416672E+03 -0.10018E+01 -0.27146E-01 9024 0.241E+01 0.307E-01 RMM: 2 -0.355719835453E+03 -0.22419E-01 -0.16387E-01 5182 0.879E-01 0.113E+00 RMM: 3 -0.355710080748E+03 0.97547E-02 -0.13147E-02 5469 0.251E-01 0.230E-01 RMM: 4 -0.355710316549E+03 -0.23580E-03 -0.16684E-03 5063 0.957E-02 0.324E-01 RMM: 5 -0.355709769293E+03 0.54726E-03 -0.47966E-04 4476 0.550E-02 0.174E-01 RMM: 6 -0.355709613139E+03 0.15615E-03 -0.18973E-04 3876 0.356E-02 0.878E-02 RMM: 7 -0.355709705466E+03 -0.92327E-04 -0.12535E-04 3871 0.294E-02 0.148E-01 RMM: 8 -0.355709571621E+03 0.13385E-03 -0.66851E-05 3479 0.241E-02 0.398E-02 RMM: 9 -0.355709566903E+03 0.47183E-05 -0.14211E-05 2505 0.107E-02 7720 T= 6666. E= 0.68803990E+03 F= 0.63289271E+03 E0= 0.66326962E+03 EK= 0.55147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356486667155E+03 -0.77710E+00 -0.24920E-01 8940 0.236E+01 0.289E-01 RMM: 2 -0.356507665217E+03 -0.20998E-01 -0.15065E-01 5267 0.846E-01 0.111E+00 RMM: 3 -0.356498483992E+03 0.91812E-02 -0.11937E-02 5448 0.241E-01 0.246E-01 RMM: 4 -0.356498430507E+03 0.53484E-04 -0.14412E-03 4946 0.884E-02 0.257E-01 RMM: 5 -0.356498121345E+03 0.30916E-03 -0.49715E-04 4573 0.587E-02 0.175E-01 RMM: 6 -0.356497982401E+03 0.13894E-03 -0.19440E-04 3881 0.358E-02 0.102E-01 RMM: 7 -0.356498053189E+03 -0.70788E-04 -0.12734E-04 3879 0.309E-02 0.145E-01 RMM: 8 -0.356497926093E+03 0.12710E-03 -0.61846E-05 3413 0.232E-02 0.402E-02 RMM: 9 -0.356497924233E+03 0.18605E-05 -0.15220E-05 2508 0.111E-02 7721 T= 6334. E= 0.68475128E+03 F= 0.63235255E+03 E0= 0.66281193E+03 EK= 0.52399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357120850341E+03 -0.62292E+00 -0.21933E-01 8964 0.229E+01 0.301E-01 RMM: 2 -0.357143351015E+03 -0.22501E-01 -0.13979E-01 5159 0.823E-01 0.127E+00 RMM: 3 -0.357131704901E+03 0.11646E-01 -0.12688E-02 5451 0.248E-01 0.253E-01 RMM: 4 -0.357131555371E+03 0.14953E-03 -0.14347E-03 4908 0.860E-02 0.242E-01 RMM: 5 -0.357131357380E+03 0.19799E-03 -0.51392E-04 4582 0.605E-02 0.199E-01 RMM: 6 -0.357131158287E+03 0.19909E-03 -0.24252E-04 3881 0.404E-02 0.101E-01 RMM: 7 -0.357131254136E+03 -0.95848E-04 -0.14671E-04 3876 0.335E-02 0.158E-01 RMM: 8 -0.357131102126E+03 0.15201E-03 -0.74297E-05 3523 0.253E-02 0.387E-02 RMM: 9 -0.357131104002E+03 -0.18756E-05 -0.16640E-05 2525 0.116E-02 7722 T= 6018. E= 0.68175525E+03 F= 0.63197322E+03 E0= 0.66251100E+03 EK= 0.49782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357666389485E+03 -0.53529E+00 -0.19438E-01 8988 0.224E+01 0.285E-01 RMM: 2 -0.357684720552E+03 -0.18331E-01 -0.11726E-01 5108 0.748E-01 0.115E+00 RMM: 3 -0.357675201088E+03 0.95195E-02 -0.10384E-02 5455 0.220E-01 0.228E-01 RMM: 4 -0.357675219388E+03 -0.18300E-04 -0.13656E-03 4811 0.870E-02 0.266E-01 RMM: 5 -0.357674923114E+03 0.29627E-03 -0.50652E-04 4563 0.599E-02 0.188E-01 RMM: 6 -0.357674741668E+03 0.18145E-03 -0.19707E-04 3883 0.364E-02 0.899E-02 RMM: 7 -0.357674796589E+03 -0.54921E-04 -0.10936E-04 3870 0.298E-02 0.128E-01 RMM: 8 -0.357674698210E+03 0.98379E-04 -0.43922E-05 3214 0.201E-02 0.359E-02 RMM: 9 -0.357674699305E+03 -0.10948E-05 -0.13135E-05 2493 0.102E-02 7723 T= 5821. E= 0.67984173E+03 F= 0.63168762E+03 E0= 0.66229776E+03 EK= 0.48154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358151250973E+03 -0.47655E+00 -0.17963E-01 8652 0.222E+01 0.279E-01 RMM: 2 -0.358164412039E+03 -0.13161E-01 -0.97430E-02 5127 0.659E-01 0.927E-01 RMM: 3 -0.358158087105E+03 0.63249E-02 -0.84314E-03 5446 0.199E-01 0.216E-01 RMM: 4 -0.358158449780E+03 -0.36267E-03 -0.12794E-03 4722 0.843E-02 0.336E-01 RMM: 5 -0.358157846742E+03 0.60304E-03 -0.43477E-04 4447 0.541E-02 0.165E-01 RMM: 6 -0.358157700732E+03 0.14601E-03 -0.16974E-04 3876 0.343E-02 0.771E-02 RMM: 7 -0.358157775913E+03 -0.75181E-04 -0.92206E-05 3694 0.264E-02 0.133E-01 RMM: 8 -0.358157669644E+03 0.10627E-03 -0.47101E-05 3229 0.211E-02 0.347E-02 RMM: 9 -0.358157667709E+03 0.19347E-05 -0.12506E-05 2483 0.101E-02 7724 T= 5796. E= 0.67941491E+03 F= 0.63146341E+03 E0= 0.66213769E+03 EK= 0.47951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358556065663E+03 -0.39840E+00 -0.17948E-01 8796 0.224E+01 0.302E-01 RMM: 2 -0.358570720151E+03 -0.14654E-01 -0.92192E-02 5215 0.639E-01 0.109E+00 RMM: 3 -0.358562070184E+03 0.86500E-02 -0.81030E-03 5416 0.195E-01 0.209E-01 RMM: 4 -0.358562627566E+03 -0.55738E-03 -0.15331E-03 4734 0.926E-02 0.371E-01 RMM: 5 -0.358561838605E+03 0.78896E-03 -0.47245E-04 4373 0.552E-02 0.160E-01 RMM: 6 -0.358561694623E+03 0.14398E-03 -0.12608E-04 3867 0.296E-02 0.631E-02 RMM: 7 -0.358561760990E+03 -0.66366E-04 -0.82839E-05 3616 0.241E-02 0.121E-01 RMM: 8 -0.358561672559E+03 0.88431E-04 -0.43195E-05 3161 0.204E-02 0.324E-02 RMM: 9 -0.358561671526E+03 0.10333E-05 -0.11618E-05 2482 0.959E-03 7725 T= 5947. E= 0.68051613E+03 F= 0.63131487E+03 E0= 0.66204287E+03 EK= 0.49201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358833550004E+03 -0.27188E+00 -0.18652E-01 9024 0.229E+01 0.307E-01 RMM: 2 -0.358845306953E+03 -0.11757E-01 -0.95344E-02 5340 0.644E-01 0.872E-01 RMM: 3 -0.358839799930E+03 0.55070E-02 -0.77050E-03 5414 0.188E-01 0.229E-01 RMM: 4 -0.358840429045E+03 -0.62911E-03 -0.13608E-03 4659 0.850E-02 0.402E-01 RMM: 5 -0.358839455002E+03 0.97404E-03 -0.48582E-04 4455 0.566E-02 0.136E-01 RMM: 6 -0.358839354482E+03 0.10052E-03 -0.11856E-04 3855 0.283E-02 0.645E-02 RMM: 7 -0.358839413279E+03 -0.58798E-04 -0.71155E-05 3569 0.225E-02 0.119E-01 RMM: 8 -0.358839328854E+03 0.84425E-04 -0.40671E-05 3087 0.191E-02 0.343E-02 RMM: 9 -0.358839330085E+03 -0.12309E-05 -0.16563E-05 2503 0.115E-02 7726 T= 6231. E= 0.68283614E+03 F= 0.63128595E+03 E0= 0.66205418E+03 EK= 0.51550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358929109302E+03 -0.89780E-01 -0.19859E-01 9120 0.234E+01 0.323E-01 RMM: 2 -0.358945328250E+03 -0.16219E-01 -0.10666E-01 5378 0.687E-01 0.114E+00 RMM: 3 -0.358936248251E+03 0.90800E-02 -0.89316E-03 5442 0.201E-01 0.226E-01 RMM: 4 -0.358936877998E+03 -0.62975E-03 -0.16599E-03 4710 0.952E-02 0.401E-01 RMM: 5 -0.358935926148E+03 0.95185E-03 -0.50597E-04 4459 0.573E-02 0.150E-01 RMM: 6 -0.358935794664E+03 0.13148E-03 -0.10661E-04 3769 0.265E-02 0.583E-02 RMM: 7 -0.358935844883E+03 -0.50219E-04 -0.83510E-05 3687 0.236E-02 0.112E-01 RMM: 8 -0.358935771438E+03 0.73445E-04 -0.46664E-05 3215 0.200E-02 0.334E-02 RMM: 9 -0.358935775918E+03 -0.44795E-05 -0.15979E-05 2512 0.114E-02 7727 T= 6560. E= 0.68570181E+03 F= 0.63142986E+03 E0= 0.66222206E+03 EK= 0.54272E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358814862789E+03 0.12091E+00 -0.21027E-01 9204 0.239E+01 0.302E-01 RMM: 2 -0.358828243182E+03 -0.13380E-01 -0.10993E-01 5504 0.672E-01 0.883E-01 RMM: 3 -0.358822341985E+03 0.59012E-02 -0.77840E-03 5445 0.187E-01 0.234E-01 RMM: 4 -0.358822877307E+03 -0.53532E-03 -0.13433E-03 4659 0.850E-02 0.386E-01 RMM: 5 -0.358821986060E+03 0.89125E-03 -0.43579E-04 4291 0.527E-02 0.141E-01 RMM: 6 -0.358821874924E+03 0.11114E-03 -0.12287E-04 3865 0.292E-02 0.653E-02 RMM: 7 -0.358821940028E+03 -0.65104E-04 -0.80112E-05 3651 0.233E-02 0.124E-01 RMM: 8 -0.358821848508E+03 0.91520E-04 -0.50745E-05 3215 0.203E-02 0.379E-02 RMM: 9 -0.358821847925E+03 0.58298E-06 -0.18451E-05 2528 0.123E-02 7728 T= 6817. E= 0.68816940E+03 F= 0.63177618E+03 E0= 0.66257418E+03 EK= 0.56393E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358510732978E+03 0.31112E+00 -0.22470E-01 8964 0.241E+01 0.286E-01 RMM: 2 -0.358526520387E+03 -0.15787E-01 -0.11881E-01 5425 0.696E-01 0.983E-01 RMM: 3 -0.358519247980E+03 0.72724E-02 -0.84311E-03 5527 0.192E-01 0.231E-01 RMM: 4 -0.358519509601E+03 -0.26162E-03 -0.13624E-03 4667 0.870E-02 0.324E-01 RMM: 5 -0.358518930697E+03 0.57890E-03 -0.41210E-04 4144 0.511E-02 0.161E-01 RMM: 6 -0.358518782295E+03 0.14840E-03 -0.12068E-04 3852 0.296E-02 0.656E-02 RMM: 7 -0.358518855844E+03 -0.73549E-04 -0.11027E-04 3865 0.269E-02 0.127E-01 RMM: 8 -0.358518760289E+03 0.95555E-04 -0.57820E-05 3353 0.223E-02 0.396E-02 RMM: 9 -0.358518754103E+03 0.61867E-05 -0.12901E-05 2496 0.102E-02 7729 T= 6899. E= 0.68937778E+03 F= 0.63230590E+03 E0= 0.66309243E+03 EK= 0.57072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358095851533E+03 0.42291E+00 -0.22505E-01 8844 0.239E+01 0.277E-01 RMM: 2 -0.358111926479E+03 -0.16075E-01 -0.11607E-01 5502 0.690E-01 0.100E+00 RMM: 3 -0.358104249721E+03 0.76768E-02 -0.81198E-03 5527 0.192E-01 0.226E-01 RMM: 4 -0.358104285268E+03 -0.35547E-04 -0.11329E-03 4647 0.779E-02 0.260E-01 RMM: 5 -0.358103965723E+03 0.31954E-03 -0.32573E-04 3949 0.452E-02 0.171E-01 RMM: 6 -0.358103813192E+03 0.15253E-03 -0.16846E-04 3884 0.360E-02 0.840E-02 RMM: 7 -0.358103912707E+03 -0.99515E-04 -0.11620E-04 3836 0.279E-02 0.150E-01 RMM: 8 -0.358103777347E+03 0.13536E-03 -0.65872E-05 3459 0.239E-02 0.406E-02 RMM: 9 -0.358103770808E+03 0.65392E-05 -0.13817E-05 2503 0.108E-02 7730 T= 6778. E= 0.68901536E+03 F= 0.63294475E+03 E0= 0.66370567E+03 EK= 0.56071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357678448348E+03 0.42533E+00 -0.22084E-01 8892 0.235E+01 0.275E-01 RMM: 2 -0.357696420412E+03 -0.17972E-01 -0.11908E-01 5441 0.720E-01 0.113E+00 RMM: 3 -0.357687486151E+03 0.89343E-02 -0.86696E-03 5559 0.197E-01 0.264E-01 RMM: 4 -0.357687179702E+03 0.30645E-03 -0.11382E-03 4650 0.772E-02 0.201E-01 RMM: 5 -0.357687042715E+03 0.13699E-03 -0.41225E-04 4421 0.546E-02 0.172E-01 RMM: 6 -0.357686900404E+03 0.14231E-03 -0.16167E-04 3881 0.333E-02 0.911E-02 RMM: 7 -0.357686993028E+03 -0.92623E-04 -0.12976E-04 3879 0.297E-02 0.148E-01 RMM: 8 -0.357686861671E+03 0.13136E-03 -0.66669E-05 3481 0.242E-02 0.471E-02 RMM: 9 -0.357686852226E+03 0.94453E-05 -0.14476E-05 2502 0.110E-02 7731 T= 6516. E= 0.68749314E+03 F= 0.63358555E+03 E0= 0.66431146E+03 EK= 0.53908E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357364029351E+03 0.32283E+00 -0.20583E-01 8856 0.229E+01 0.291E-01 RMM: 2 -0.357384028038E+03 -0.19999E-01 -0.11418E-01 5369 0.728E-01 0.129E+00 RMM: 3 -0.357372559480E+03 0.11469E-01 -0.99008E-03 5440 0.217E-01 0.251E-01 RMM: 4 -0.357372291304E+03 0.26818E-03 -0.11854E-03 4657 0.764E-02 0.194E-01 RMM: 5 -0.357372204079E+03 0.87225E-04 -0.38333E-04 4420 0.520E-02 0.189E-01 RMM: 6 -0.357372021207E+03 0.18287E-03 -0.20737E-04 3887 0.385E-02 0.946E-02 RMM: 7 -0.357372129796E+03 -0.10859E-03 -0.14311E-04 3878 0.316E-02 0.160E-01 RMM: 8 -0.357371976084E+03 0.15371E-03 -0.76249E-05 3555 0.255E-02 0.438E-02 RMM: 9 -0.357371969948E+03 0.61358E-05 -0.15862E-05 2518 0.117E-02 7732 T= 6228. E= 0.68564747E+03 F= 0.63412585E+03 E0= 0.66481188E+03 EK= 0.51522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357216865727E+03 0.15511E+00 -0.18788E-01 8880 0.225E+01 0.276E-01 RMM: 2 -0.357234746870E+03 -0.17881E-01 -0.10050E-01 5399 0.680E-01 0.123E+00 RMM: 3 -0.357224387414E+03 0.10359E-01 -0.79467E-03 5409 0.194E-01 0.251E-01 RMM: 4 -0.357224152098E+03 0.23532E-03 -0.12100E-03 4643 0.796E-02 0.207E-01 RMM: 5 -0.357224014192E+03 0.13791E-03 -0.43571E-04 4492 0.570E-02 0.176E-01 RMM: 6 -0.357223852886E+03 0.16131E-03 -0.15246E-04 3880 0.321E-02 0.819E-02 RMM: 7 -0.357223921152E+03 -0.68266E-04 -0.10915E-04 3849 0.278E-02 0.130E-01 RMM: 8 -0.357223820747E+03 0.10040E-03 -0.50384E-05 3273 0.215E-02 0.429E-02 RMM: 9 -0.357223813859E+03 0.68874E-05 -0.12583E-05 2481 0.101E-02 7733 T= 6018. E= 0.68428472E+03 F= 0.63450085E+03 E0= 0.66514618E+03 EK= 0.49784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357246636946E+03 -0.22816E-01 -0.17517E-01 8928 0.223E+01 0.280E-01 RMM: 2 -0.357261931418E+03 -0.15294E-01 -0.90555E-02 5396 0.645E-01 0.113E+00 RMM: 3 -0.357252983604E+03 0.89478E-02 -0.75500E-03 5393 0.191E-01 0.232E-01 RMM: 4 -0.357252951809E+03 0.31795E-04 -0.11045E-03 4651 0.760E-02 0.238E-01 RMM: 5 -0.357252702338E+03 0.24947E-03 -0.32114E-04 3924 0.459E-02 0.170E-01 RMM: 6 -0.357252548134E+03 0.15420E-03 -0.16509E-04 3880 0.358E-02 0.794E-02 RMM: 7 -0.357252626840E+03 -0.78706E-04 -0.97862E-05 3704 0.260E-02 0.137E-01 RMM: 8 -0.357252517099E+03 0.10974E-03 -0.51583E-05 3277 0.222E-02 0.403E-02 RMM: 9 -0.357252510438E+03 0.66606E-05 -0.12329E-05 2485 0.103E-02 7734 T= 5949. E= 0.68391359E+03 F= 0.63469876E+03 E0= 0.66530474E+03 EK= 0.49215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357410830648E+03 -0.15831E+00 -0.17221E-01 8844 0.223E+01 0.275E-01 RMM: 2 -0.357423869035E+03 -0.13038E-01 -0.93496E-02 5326 0.651E-01 0.951E-01 RMM: 3 -0.357417562718E+03 0.63063E-02 -0.72600E-03 5444 0.181E-01 0.229E-01 RMM: 4 -0.357417700950E+03 -0.13823E-03 -0.12505E-03 4661 0.828E-02 0.294E-01 RMM: 5 -0.357417279685E+03 0.42127E-03 -0.40679E-04 4199 0.526E-02 0.170E-01 RMM: 6 -0.357417111126E+03 0.16856E-03 -0.12806E-04 3875 0.305E-02 0.613E-02 RMM: 7 -0.357417183115E+03 -0.71989E-04 -0.85617E-05 3673 0.241E-02 0.123E-01 RMM: 8 -0.357417091066E+03 0.92049E-04 -0.44461E-05 3176 0.208E-02 0.339E-02 RMM: 9 -0.357417089069E+03 0.19968E-05 -0.12634E-05 2482 0.101E-02 7735 T= 6035. E= 0.68468790E+03 F= 0.63475812E+03 E0= 0.66532768E+03 EK= 0.49930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357630994376E+03 -0.21390E+00 -0.17460E-01 9060 0.227E+01 0.314E-01 RMM: 2 -0.357648456058E+03 -0.17462E-01 -0.96372E-02 5459 0.665E-01 0.127E+00 RMM: 3 -0.357637437158E+03 0.11019E-01 -0.81754E-03 5387 0.202E-01 0.223E-01 RMM: 4 -0.357637705424E+03 -0.26827E-03 -0.14692E-03 4644 0.882E-02 0.317E-01 RMM: 5 -0.357637130956E+03 0.57447E-03 -0.38040E-04 3944 0.490E-02 0.142E-01 RMM: 6 -0.357637014859E+03 0.11610E-03 -0.10817E-04 3786 0.286E-02 0.617E-02 RMM: 7 -0.357637066502E+03 -0.51644E-04 -0.73559E-05 3555 0.225E-02 0.110E-01 RMM: 8 -0.357636992223E+03 0.74279E-04 -0.42803E-05 3121 0.203E-02 0.338E-02 RMM: 9 -0.357636991829E+03 0.39361E-06 -0.13609E-05 2486 0.106E-02 7736 T= 6245. E= 0.68641942E+03 F= 0.63475722E+03 E0= 0.66529360E+03 EK= 0.51662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357802477664E+03 -0.16549E+00 -0.18540E-01 9024 0.232E+01 0.307E-01 RMM: 2 -0.357818195594E+03 -0.15718E-01 -0.10903E-01 5503 0.700E-01 0.108E+00 RMM: 3 -0.357810161121E+03 0.80345E-02 -0.77637E-03 5458 0.190E-01 0.235E-01 RMM: 4 -0.357810485501E+03 -0.32438E-03 -0.14746E-03 4637 0.898E-02 0.345E-01 RMM: 5 -0.357809844626E+03 0.64087E-03 -0.44027E-04 4233 0.534E-02 0.165E-01 RMM: 6 -0.357809679195E+03 0.16543E-03 -0.11601E-04 3814 0.286E-02 0.559E-02 RMM: 7 -0.357809733372E+03 -0.54177E-04 -0.79901E-05 3657 0.234E-02 0.111E-01 RMM: 8 -0.357809656902E+03 0.76471E-04 -0.44602E-05 3167 0.201E-02 0.337E-02 RMM: 9 -0.357809660263E+03 -0.33613E-05 -0.16547E-05 2512 0.115E-02 7737 T= 6503. E= 0.68859704E+03 F= 0.63479738E+03 E0= 0.66530392E+03 EK= 0.53800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357826059244E+03 -0.16402E-01 -0.20089E-01 9036 0.237E+01 0.313E-01 RMM: 2 -0.357843705853E+03 -0.17647E-01 -0.12372E-01 5514 0.733E-01 0.112E+00 RMM: 3 -0.357834778382E+03 0.89275E-02 -0.87175E-03 5486 0.198E-01 0.233E-01 RMM: 4 -0.357835150824E+03 -0.37244E-03 -0.15086E-03 4657 0.906E-02 0.347E-01 RMM: 5 -0.357834408376E+03 0.74245E-03 -0.39841E-04 3973 0.490E-02 0.135E-01 RMM: 6 -0.357834306300E+03 0.10208E-03 -0.10630E-04 3768 0.278E-02 0.626E-02 RMM: 7 -0.357834346943E+03 -0.40643E-04 -0.73881E-05 3600 0.226E-02 0.106E-01 RMM: 8 -0.357834277687E+03 0.69255E-04 -0.44640E-05 3150 0.199E-02 0.323E-02 RMM: 9 -0.357834284127E+03 -0.64401E-05 -0.18508E-05 2528 0.122E-02 7738 T= 6710. E= 0.69049007E+03 F= 0.63497959E+03 E0= 0.66545975E+03 EK= 0.55510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357627396220E+03 0.20688E+00 -0.21358E-01 8880 0.239E+01 0.302E-01 RMM: 2 -0.357645264293E+03 -0.17868E-01 -0.13234E-01 5576 0.738E-01 0.106E+00 RMM: 3 -0.357636719119E+03 0.85452E-02 -0.83045E-03 5563 0.191E-01 0.226E-01 RMM: 4 -0.357637038080E+03 -0.31896E-03 -0.14620E-03 4638 0.890E-02 0.337E-01 RMM: 5 -0.357636379943E+03 0.65814E-03 -0.41199E-04 4062 0.508E-02 0.144E-01 RMM: 6 -0.357636258833E+03 0.12111E-03 -0.99376E-05 3718 0.271E-02 0.583E-02 RMM: 7 -0.357636309515E+03 -0.50683E-04 -0.82551E-05 3746 0.236E-02 0.110E-01 RMM: 8 -0.357636234364E+03 0.75152E-04 -0.45481E-05 3194 0.199E-02 0.324E-02 RMM: 9 -0.357636239400E+03 -0.50361E-05 -0.16442E-05 2513 0.114E-02 7739 T= 6776. E= 0.69143233E+03 F= 0.63537992E+03 E0= 0.66583756E+03 EK= 0.56052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357177713041E+03 0.45852E+00 -0.22636E-01 8688 0.239E+01 0.272E-01 RMM: 2 -0.357193492314E+03 -0.15779E-01 -0.13670E-01 5664 0.726E-01 0.817E-01 RMM: 3 -0.357187365582E+03 0.61267E-02 -0.73385E-03 5562 0.180E-01 0.200E-01 RMM: 4 -0.357187725062E+03 -0.35948E-03 -0.11587E-03 4655 0.785E-02 0.323E-01 RMM: 5 -0.357187074462E+03 0.65060E-03 -0.34055E-04 3943 0.455E-02 0.116E-01 RMM: 6 -0.357187013766E+03 0.60697E-04 -0.10277E-04 3765 0.273E-02 0.730E-02 RMM: 7 -0.357187059240E+03 -0.45474E-04 -0.73808E-05 3577 0.227E-02 0.113E-01 RMM: 8 -0.357186979002E+03 0.80237E-04 -0.44401E-05 3160 0.200E-02 0.292E-02 RMM: 9 -0.357186984230E+03 -0.52278E-05 -0.15339E-05 2499 0.110E-02 7740 T= 6668. E= 0.69119016E+03 F= 0.63602895E+03 E0= 0.66646840E+03 EK= 0.55161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356503936381E+03 0.68304E+00 -0.23042E-01 8400 0.236E+01 0.255E-01 RMM: 2 -0.356520419902E+03 -0.16484E-01 -0.13376E-01 5783 0.718E-01 0.877E-01 RMM: 3 -0.356513557623E+03 0.68623E-02 -0.67252E-03 5489 0.177E-01 0.179E-01 RMM: 4 -0.356513797959E+03 -0.24034E-03 -0.10879E-03 4662 0.767E-02 0.281E-01 RMM: 5 -0.356513336265E+03 0.46169E-03 -0.33524E-04 3969 0.470E-02 0.126E-01 RMM: 6 -0.356513261541E+03 0.74724E-04 -0.10217E-04 3791 0.275E-02 0.731E-02 RMM: 7 -0.356513306500E+03 -0.44959E-04 -0.77418E-05 3611 0.232E-02 0.112E-01 RMM: 8 -0.356513228557E+03 0.77943E-04 -0.42368E-05 3146 0.202E-02 0.269E-02 RMM: 9 -0.356513232519E+03 -0.39620E-05 -0.11351E-05 2478 0.937E-03 7741 T= 6432. E= 0.69011419E+03 F= 0.63690181E+03 E0= 0.66732866E+03 EK= 0.53212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355677804353E+03 0.83542E+00 -0.22684E-01 8412 0.232E+01 0.229E-01 RMM: 2 -0.355691811605E+03 -0.14007E-01 -0.12543E-01 5911 0.714E-01 0.686E-01 RMM: 3 -0.355687443674E+03 0.43679E-02 -0.61657E-03 5453 0.175E-01 0.193E-01 RMM: 4 -0.355687529379E+03 -0.85705E-04 -0.80442E-04 4649 0.665E-02 0.239E-01 RMM: 5 -0.355687187030E+03 0.34235E-03 -0.28868E-04 4008 0.449E-02 0.117E-01 RMM: 6 -0.355687153016E+03 0.34014E-04 -0.13990E-04 3872 0.319E-02 0.958E-02 RMM: 7 -0.355687180757E+03 -0.27741E-04 -0.71898E-05 3546 0.234E-02 0.115E-01 RMM: 8 -0.355687097994E+03 0.82762E-04 -0.39517E-05 3102 0.194E-02 0.264E-02 RMM: 9 -0.355687102844E+03 -0.48498E-05 -0.12838E-05 2476 0.100E-02 7742 T= 6165. E= 0.68892758E+03 F= 0.63792723E+03 E0= 0.66834780E+03 EK= 0.51000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354794829803E+03 0.89227E+00 -0.22100E-01 8376 0.228E+01 0.226E-01 RMM: 2 -0.354809817257E+03 -0.14987E-01 -0.12145E-01 5822 0.723E-01 0.815E-01 RMM: 3 -0.354804350064E+03 0.54672E-02 -0.68777E-03 5465 0.184E-01 0.172E-01 RMM: 4 -0.354804391338E+03 -0.41274E-04 -0.83643E-04 4651 0.687E-02 0.216E-01 RMM: 5 -0.354804124570E+03 0.26677E-03 -0.29029E-04 4055 0.458E-02 0.116E-01 RMM: 6 -0.354804102931E+03 0.21639E-04 -0.12333E-04 3873 0.296E-02 0.103E-01 RMM: 7 -0.354804103016E+03 -0.84536E-07 -0.76323E-05 3615 0.243E-02 7743 T= 5965. E= 0.68835681E+03 F= 0.63900923E+03 E0= 0.66943089E+03 EK= 0.49348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353952663155E+03 0.85144E+00 -0.21022E-01 8520 0.226E+01 0.238E-01 RMM: 2 -0.353965955878E+03 -0.13293E-01 -0.11648E-01 5735 0.721E-01 0.707E-01 RMM: 3 -0.353961807203E+03 0.41487E-02 -0.68959E-03 5484 0.180E-01 0.206E-01 RMM: 4 -0.353961813043E+03 -0.58400E-05 -0.79070E-04 4656 0.663E-02 0.233E-01 RMM: 5 -0.353961471246E+03 0.34180E-03 -0.36037E-04 4297 0.509E-02 0.107E-01 RMM: 6 -0.353961536633E+03 -0.65387E-04 -0.16746E-04 3884 0.332E-02 0.148E-01 RMM: 7 -0.353961465385E+03 0.71248E-04 -0.89341E-05 3729 0.267E-02 0.102E-01 RMM: 8 -0.353961404881E+03 0.60504E-04 -0.43737E-05 3202 0.195E-02 0.328E-02 RMM: 9 -0.353961419086E+03 -0.14205E-04 -0.17639E-05 2523 0.120E-02 7744 T= 5903. E= 0.68888326E+03 F= 0.64004895E+03 E0= 0.67047925E+03 EK= 0.48834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353238249990E+03 0.72315E+00 -0.19584E-01 8784 0.227E+01 0.224E-01 RMM: 2 -0.353253432011E+03 -0.15182E-01 -0.11527E-01 5305 0.736E-01 0.889E-01 RMM: 3 -0.353247364468E+03 0.60675E-02 -0.86691E-03 5546 0.199E-01 0.198E-01 RMM: 4 -0.353247224345E+03 0.14012E-03 -0.87288E-04 4658 0.681E-02 0.175E-01 RMM: 5 -0.353247101748E+03 0.12260E-03 -0.23169E-04 3928 0.411E-02 0.131E-01 RMM: 6 -0.353247007719E+03 0.94030E-04 -0.96572E-05 3702 0.278E-02 0.608E-02 RMM: 7 -0.353247062664E+03 -0.54945E-04 -0.65606E-05 3430 0.220E-02 0.112E-01 RMM: 8 -0.353246987428E+03 0.75236E-04 -0.38819E-05 3087 0.199E-02 0.269E-02 RMM: 9 -0.353246986094E+03 0.13339E-05 -0.88615E-06 2452 0.850E-03 7745 T= 6008. E= 0.69065923E+03 F= 0.64095618E+03 E0= 0.67140378E+03 EK= 0.49703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352717420558E+03 0.52957E+00 -0.18312E-01 8808 0.230E+01 0.232E-01 RMM: 2 -0.352729149128E+03 -0.11729E-01 -0.99233E-02 5567 0.666E-01 0.715E-01 RMM: 3 -0.352724846834E+03 0.43023E-02 -0.61511E-03 5460 0.168E-01 0.176E-01 RMM: 4 -0.352725042313E+03 -0.19548E-03 -0.84499E-04 4637 0.688E-02 0.266E-01 RMM: 5 -0.352724616021E+03 0.42629E-03 -0.29035E-04 3959 0.439E-02 0.114E-01 RMM: 6 -0.352724576290E+03 0.39731E-04 -0.11700E-04 3854 0.294E-02 0.887E-02 RMM: 7 -0.352724618160E+03 -0.41870E-04 -0.80009E-05 3647 0.240E-02 0.120E-01 RMM: 8 -0.352724528161E+03 0.89999E-04 -0.45132E-05 3192 0.205E-02 0.327E-02 RMM: 9 -0.352724527822E+03 0.33910E-06 -0.13725E-05 2482 0.105E-02 7746 T= 6263. E= 0.69348068E+03 F= 0.64166525E+03 E0= 0.67213811E+03 EK= 0.51815E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352416270526E+03 0.30826E+00 -0.18205E-01 8652 0.236E+01 0.252E-01 RMM: 2 -0.352430473378E+03 -0.14203E-01 -0.95314E-02 5332 0.673E-01 0.993E-01 RMM: 3 -0.352423250170E+03 0.72232E-02 -0.74823E-03 5468 0.186E-01 0.191E-01 RMM: 4 -0.352423328637E+03 -0.78467E-04 -0.10331E-03 4666 0.738E-02 0.240E-01 RMM: 5 -0.352423022956E+03 0.30568E-03 -0.25792E-04 3927 0.410E-02 0.125E-01 RMM: 6 -0.352422935192E+03 0.87765E-04 -0.74191E-05 3501 0.247E-02 0.570E-02 RMM: 7 -0.352422983629E+03 -0.48437E-04 -0.68516E-05 3503 0.219E-02 0.106E-01 RMM: 8 -0.352422916757E+03 0.66872E-04 -0.40408E-05 3106 0.197E-02 0.283E-02 RMM: 9 -0.352422916966E+03 -0.20934E-06 -0.11623E-05 2469 0.977E-03 7747 T= 6600. E= 0.69674211E+03 F= 0.64214641E+03 E0= 0.67265221E+03 EK= 0.54596E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352325105750E+03 0.97811E-01 -0.19133E-01 8556 0.242E+01 0.263E-01 RMM: 2 -0.352338833371E+03 -0.13728E-01 -0.91043E-02 5298 0.674E-01 0.992E-01 RMM: 3 -0.352331695445E+03 0.71379E-02 -0.73777E-03 5446 0.184E-01 0.208E-01 RMM: 4 -0.352331814999E+03 -0.11955E-03 -0.11136E-03 4670 0.779E-02 0.269E-01 RMM: 5 -0.352331425900E+03 0.38910E-03 -0.29916E-04 4005 0.442E-02 0.134E-01 RMM: 6 -0.352331321297E+03 0.10460E-03 -0.84129E-05 3573 0.261E-02 0.548E-02 RMM: 7 -0.352331359749E+03 -0.38451E-04 -0.59088E-05 3357 0.206E-02 0.980E-02 RMM: 8 -0.352331303464E+03 0.56284E-04 -0.39830E-05 3014 0.193E-02 0.376E-02 RMM: 9 -0.352331299629E+03 0.38349E-05 -0.14848E-05 2489 0.112E-02 7748 T= 6898. E= 0.69947566E+03 F= 0.64241114E+03 E0= 0.67295532E+03 EK= 0.57065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352401953914E+03 -0.70650E-01 -0.19628E-01 8340 0.246E+01 0.275E-01 RMM: 2 -0.352416808176E+03 -0.14854E-01 -0.95212E-02 5196 0.706E-01 0.106E+00 RMM: 3 -0.352408917565E+03 0.78906E-02 -0.88023E-03 5497 0.200E-01 0.205E-01 RMM: 4 -0.352409075227E+03 -0.15766E-03 -0.12027E-03 4692 0.804E-02 0.277E-01 RMM: 5 -0.352408663815E+03 0.41141E-03 -0.30042E-04 3992 0.443E-02 0.140E-01 RMM: 6 -0.352408544876E+03 0.11894E-03 -0.90506E-05 3615 0.270E-02 0.534E-02 RMM: 7 -0.352408581912E+03 -0.37036E-04 -0.57524E-05 3325 0.203E-02 0.973E-02 RMM: 8 -0.352408527200E+03 0.54713E-04 -0.39789E-05 3038 0.193E-02 0.348E-02 RMM: 9 -0.352408526068E+03 0.11314E-05 -0.15234E-05 2486 0.113E-02 7749 T= 7031. E= 0.70066708E+03 F= 0.64250256E+03 E0= 0.67308758E+03 EK= 0.58165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352596956049E+03 -0.18843E+00 -0.20051E-01 8124 0.246E+01 0.280E-01 RMM: 2 -0.352613387709E+03 -0.16432E-01 -0.99177E-02 5179 0.723E-01 0.115E+00 RMM: 3 -0.352604233887E+03 0.91538E-02 -0.92630E-03 5514 0.205E-01 0.228E-01 RMM: 4 -0.352604259953E+03 -0.26066E-04 -0.12818E-03 4697 0.835E-02 0.261E-01 RMM: 5 -0.352603917362E+03 0.34259E-03 -0.30236E-04 3984 0.436E-02 0.145E-01 RMM: 6 -0.352603795023E+03 0.12234E-03 -0.98466E-05 3670 0.281E-02 0.559E-02 RMM: 7 -0.352603837071E+03 -0.42048E-04 -0.61183E-05 3379 0.210E-02 0.101E-01 RMM: 8 -0.352603779319E+03 0.57752E-04 -0.40445E-05 3020 0.196E-02 0.389E-02 RMM: 9 -0.352603774584E+03 0.47354E-05 -0.14907E-05 2488 0.113E-02 7750 T= 6932. E= 0.69982011E+03 F= 0.64247427E+03 E0= 0.67309807E+03 EK= 0.57346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352873193923E+03 -0.26941E+00 -0.19314E-01 8196 0.242E+01 0.265E-01 RMM: 2 -0.352888774148E+03 -0.15580E-01 -0.10093E-01 5219 0.711E-01 0.107E+00 RMM: 3 -0.352880746691E+03 0.80275E-02 -0.94538E-03 5588 0.201E-01 0.200E-01 RMM: 4 -0.352880818507E+03 -0.71816E-04 -0.11133E-03 4658 0.768E-02 0.252E-01 RMM: 5 -0.352880477225E+03 0.34128E-03 -0.26878E-04 3921 0.415E-02 0.136E-01 RMM: 6 -0.352880374687E+03 0.10254E-03 -0.97480E-05 3673 0.278E-02 0.622E-02 RMM: 7 -0.352880432301E+03 -0.57615E-04 -0.78074E-05 3568 0.233E-02 0.116E-01 RMM: 8 -0.352880353866E+03 0.78435E-04 -0.46937E-05 3201 0.210E-02 0.333E-02 RMM: 9 -0.352880352661E+03 0.12052E-05 -0.13389E-05 2485 0.105E-02 7751 T= 6642. E= 0.69730981E+03 F= 0.64236563E+03 E0= 0.67302241E+03 EK= 0.54944E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353215253964E+03 -0.33490E+00 -0.18163E-01 8364 0.235E+01 0.248E-01 RMM: 2 -0.353230676625E+03 -0.15423E-01 -0.96746E-02 5175 0.696E-01 0.108E+00 RMM: 3 -0.353222563233E+03 0.81134E-02 -0.91878E-03 5561 0.198E-01 0.181E-01 RMM: 4 -0.353222633065E+03 -0.69832E-04 -0.10492E-03 4663 0.754E-02 0.238E-01 RMM: 5 -0.353222339023E+03 0.29404E-03 -0.27334E-04 3928 0.423E-02 0.132E-01 RMM: 6 -0.353222255296E+03 0.83727E-04 -0.10997E-04 3781 0.290E-02 0.713E-02 RMM: 7 -0.353222309268E+03 -0.53972E-04 -0.79860E-05 3639 0.243E-02 0.116E-01 RMM: 8 -0.353222227789E+03 0.81478E-04 -0.42862E-05 3149 0.204E-02 0.319E-02 RMM: 9 -0.353222226811E+03 0.97783E-06 -0.11427E-05 2470 0.954E-03 7752 T= 6280. E= 0.69414470E+03 F= 0.64219446E+03 E0= 0.67287511E+03 EK= 0.51950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353617487870E+03 -0.39526E+00 -0.17611E-01 8220 0.229E+01 0.217E-01 RMM: 2 -0.353629270221E+03 -0.11782E-01 -0.93650E-02 5214 0.667E-01 0.780E-01 RMM: 3 -0.353624692718E+03 0.45775E-02 -0.82608E-03 5627 0.184E-01 0.176E-01 RMM: 4 -0.353624739903E+03 -0.47185E-04 -0.83720E-04 4651 0.673E-02 0.223E-01 RMM: 5 -0.353624452108E+03 0.28779E-03 -0.24126E-04 3890 0.403E-02 0.114E-01 RMM: 6 -0.353624406847E+03 0.45261E-04 -0.10514E-04 3756 0.281E-02 0.816E-02 RMM: 7 -0.353624440383E+03 -0.33536E-04 -0.75123E-05 3557 0.239E-02 0.109E-01 RMM: 8 -0.353624368890E+03 0.71493E-04 -0.39339E-05 3108 0.196E-02 0.283E-02 RMM: 9 -0.353624370131E+03 -0.12407E-05 -0.12210E-05 2468 0.985E-03 7753 T= 5975. E= 0.69139246E+03 F= 0.64196606E+03 E0= 0.67266034E+03 EK= 0.49426E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354070367552E+03 -0.44600E+00 -0.17342E-01 8544 0.223E+01 0.221E-01 RMM: 2 -0.354082719500E+03 -0.12352E-01 -0.88083E-02 5287 0.637E-01 0.898E-01 RMM: 3 -0.354076860329E+03 0.58592E-02 -0.70613E-03 5635 0.173E-01 0.163E-01 RMM: 4 -0.354076914133E+03 -0.53804E-04 -0.84770E-04 4647 0.678E-02 0.221E-01 RMM: 5 -0.354076645003E+03 0.26913E-03 -0.24863E-04 3918 0.413E-02 0.112E-01 RMM: 6 -0.354076596519E+03 0.48484E-04 -0.93317E-05 3733 0.266E-02 0.769E-02 RMM: 7 -0.354076618757E+03 -0.22237E-04 -0.64264E-05 3454 0.222E-02 0.974E-02 RMM: 8 -0.354076562309E+03 0.56447E-04 -0.32253E-05 2973 0.182E-02 0.272E-02 RMM: 9 -0.354076563232E+03 -0.92303E-06 -0.92540E-06 2456 0.834E-03 7754 T= 5814. E= 0.68978780E+03 F= 0.64168938E+03 E0= 0.67238665E+03 EK= 0.48098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354546675760E+03 -0.47011E+00 -0.16865E-01 8748 0.221E+01 0.215E-01 RMM: 2 -0.354557260066E+03 -0.10584E-01 -0.86318E-02 5242 0.621E-01 0.721E-01 RMM: 3 -0.354553134344E+03 0.41257E-02 -0.69238E-03 5520 0.176E-01 0.191E-01 RMM: 4 -0.354553169726E+03 -0.35383E-04 -0.79437E-04 4656 0.634E-02 0.219E-01 RMM: 5 -0.354552903156E+03 0.26657E-03 -0.23032E-04 3889 0.388E-02 0.119E-01 RMM: 6 -0.354552834352E+03 0.68804E-04 -0.10793E-04 3801 0.288E-02 0.648E-02 RMM: 7 -0.354552872623E+03 -0.38271E-04 -0.57992E-05 3358 0.211E-02 0.101E-01 RMM: 8 -0.354552812593E+03 0.60030E-04 -0.30669E-05 2869 0.180E-02 0.310E-02 RMM: 9 -0.354552810515E+03 0.20784E-05 -0.10659E-05 2462 0.921E-03 7755 T= 5834. E= 0.68965200E+03 F= 0.64138802E+03 E0= 0.67207817E+03 EK= 0.48264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354999647126E+03 -0.44683E+00 -0.17196E-01 9000 0.222E+01 0.222E-01 RMM: 2 -0.355012164841E+03 -0.12518E-01 -0.87103E-02 5201 0.626E-01 0.903E-01 RMM: 3 -0.355006066258E+03 0.60986E-02 -0.71474E-03 5428 0.182E-01 0.158E-01 RMM: 4 -0.355006234281E+03 -0.16802E-03 -0.93712E-04 4657 0.698E-02 0.240E-01 RMM: 5 -0.355005896186E+03 0.33810E-03 -0.24144E-04 3886 0.387E-02 0.108E-01 RMM: 6 -0.355005841438E+03 0.54749E-04 -0.77532E-05 3564 0.242E-02 0.622E-02 RMM: 7 -0.355005866308E+03 -0.24871E-04 -0.53741E-05 3275 0.201E-02 0.909E-02 RMM: 8 -0.355005817951E+03 0.48357E-04 -0.31323E-05 2919 0.178E-02 0.239E-02 RMM: 9 -0.355005820726E+03 -0.27744E-05 -0.91720E-06 2452 0.845E-03 7756 T= 6024. E= 0.69093752E+03 F= 0.64110665E+03 E0= 0.67178011E+03 EK= 0.49831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355364316732E+03 -0.35850E+00 -0.17643E-01 9024 0.226E+01 0.223E-01 RMM: 2 -0.355375175479E+03 -0.10859E-01 -0.86126E-02 5362 0.609E-01 0.767E-01 RMM: 3 -0.355370498793E+03 0.46767E-02 -0.62451E-03 5579 0.166E-01 0.190E-01 RMM: 4 -0.355370555562E+03 -0.56770E-04 -0.84185E-04 4633 0.665E-02 0.229E-01 RMM: 5 -0.355370261358E+03 0.29420E-03 -0.22650E-04 3891 0.376E-02 0.117E-01 RMM: 6 -0.355370187566E+03 0.73792E-04 -0.79510E-05 3547 0.252E-02 0.548E-02 RMM: 7 -0.355370234893E+03 -0.47327E-04 -0.54791E-05 3298 0.199E-02 0.103E-01 RMM: 8 -0.355370169436E+03 0.65457E-04 -0.32900E-05 2868 0.181E-02 0.263E-02 RMM: 9 -0.355370170529E+03 -0.10929E-05 -0.12029E-05 2468 0.974E-03 7757 T= 6325. E= 0.69323624E+03 F= 0.64090874E+03 E0= 0.67155746E+03 EK= 0.52328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355569286766E+03 -0.19912E+00 -0.18511E-01 8820 0.231E+01 0.234E-01 RMM: 2 -0.355583812066E+03 -0.14525E-01 -0.99580E-02 5241 0.662E-01 0.990E-01 RMM: 3 -0.355576651362E+03 0.71607E-02 -0.87369E-03 5586 0.187E-01 0.152E-01 RMM: 4 -0.355576807340E+03 -0.15598E-03 -0.94853E-04 4657 0.701E-02 0.251E-01 RMM: 5 -0.355576440792E+03 0.36655E-03 -0.23691E-04 3885 0.380E-02 0.106E-01 RMM: 6 -0.355576382903E+03 0.57889E-04 -0.73873E-05 3538 0.237E-02 0.582E-02 RMM: 7 -0.355576422445E+03 -0.39542E-04 -0.62278E-05 3422 0.209E-02 0.101E-01 RMM: 8 -0.355576360507E+03 0.61938E-04 -0.35970E-05 2995 0.187E-02 0.254E-02 RMM: 9 -0.355576362569E+03 -0.20621E-05 -0.11315E-05 2464 0.942E-03 7758 T= 6639. E= 0.69578626E+03 F= 0.64086311E+03 E0= 0.67148091E+03 EK= 0.54923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355570689066E+03 0.56714E-02 -0.19516E-01 8640 0.235E+01 0.218E-01 RMM: 2 -0.355584313333E+03 -0.13624E-01 -0.10921E-01 5370 0.689E-01 0.822E-01 RMM: 3 -0.355578987585E+03 0.53257E-02 -0.84759E-03 5689 0.181E-01 0.183E-01 RMM: 4 -0.355578952549E+03 0.35036E-04 -0.83968E-04 4663 0.666E-02 0.208E-01 RMM: 5 -0.355578707740E+03 0.24481E-03 -0.21219E-04 3883 0.365E-02 0.112E-01 RMM: 6 -0.355578645280E+03 0.62461E-04 -0.84765E-05 3600 0.257E-02 0.634E-02 RMM: 7 -0.355578696789E+03 -0.51509E-04 -0.67696E-05 3524 0.216E-02 0.110E-01 RMM: 8 -0.355578621871E+03 0.74918E-04 -0.36361E-05 2982 0.187E-02 0.312E-02 RMM: 9 -0.355578619098E+03 0.27730E-05 -0.11762E-05 2467 0.972E-03 7759 T= 6845. E= 0.69764297E+03 F= 0.64101623E+03 E0= 0.67160033E+03 EK= 0.56627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355382251226E+03 0.19637E+00 -0.19319E-01 8748 0.236E+01 0.244E-01 RMM: 2 -0.355400326731E+03 -0.18076E-01 -0.11054E-01 5333 0.703E-01 0.114E+00 RMM: 3 -0.355390634453E+03 0.96923E-02 -0.96381E-03 5505 0.200E-01 0.209E-01 RMM: 4 -0.355390422286E+03 0.21217E-03 -0.10040E-03 4660 0.699E-02 0.162E-01 RMM: 5 -0.355390335431E+03 0.86855E-04 -0.21553E-04 3887 0.365E-02 0.141E-01 RMM: 6 -0.355390224136E+03 0.11130E-03 -0.11066E-04 3853 0.293E-02 0.685E-02 RMM: 7 -0.355390282923E+03 -0.58788E-04 -0.91846E-05 3708 0.250E-02 0.118E-01 RMM: 8 -0.355390203674E+03 0.79249E-04 -0.53898E-05 3295 0.220E-02 0.458E-02 RMM: 9 -0.355390193257E+03 0.10417E-04 -0.13171E-05 2498 0.106E-02 7760 T= 6859. E= 0.69809661E+03 F= 0.64135654E+03 E0= 0.67190813E+03 EK= 0.56740E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355090760389E+03 0.29944E+00 -0.18778E-01 8772 0.234E+01 0.232E-01 RMM: 2 -0.355107974145E+03 -0.17214E-01 -0.11368E-01 5305 0.727E-01 0.109E+00 RMM: 3 -0.355099627436E+03 0.83467E-02 -0.99107E-03 5582 0.204E-01 0.207E-01 RMM: 4 -0.355099408779E+03 0.21866E-03 -0.90260E-04 4662 0.656E-02 0.159E-01 RMM: 5 -0.355099295038E+03 0.11374E-03 -0.21896E-04 3899 0.392E-02 0.120E-01 RMM: 6 -0.355099234525E+03 0.60513E-04 -0.11317E-04 3853 0.292E-02 0.827E-02 RMM: 7 -0.355099302437E+03 -0.67912E-04 -0.10101E-04 3808 0.265E-02 0.130E-01 RMM: 8 -0.355099202875E+03 0.99562E-04 -0.54884E-05 3336 0.221E-02 0.467E-02 RMM: 9 -0.355099194052E+03 0.88229E-05 -0.15973E-05 2514 0.116E-02 7761 T= 6683. E= 0.69708603E+03 F= 0.64179790E+03 E0= 0.67232186E+03 EK= 0.55288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354835401840E+03 0.26380E+00 -0.17603E-01 8496 0.229E+01 0.251E-01 RMM: 2 -0.354854113972E+03 -0.18712E-01 -0.11037E-01 5244 0.734E-01 0.120E+00 RMM: 3 -0.354844003954E+03 0.10110E-01 -0.10450E-02 5520 0.214E-01 0.245E-01 RMM: 4 -0.354843616942E+03 0.38701E-03 -0.10368E-03 4667 0.701E-02 0.135E-01 RMM: 5 -0.354843569930E+03 0.47012E-04 -0.22539E-04 3884 0.394E-02 0.135E-01 RMM: 6 -0.354843481628E+03 0.88301E-04 -0.11579E-04 3861 0.301E-02 0.771E-02 RMM: 7 -0.354843544406E+03 -0.62777E-04 -0.10771E-04 3848 0.276E-02 0.124E-01 RMM: 8 -0.354843457524E+03 0.86881E-04 -0.58463E-05 3367 0.227E-02 0.489E-02 RMM: 9 -0.354843447763E+03 0.97616E-05 -0.15726E-05 2518 0.117E-02 7762 T= 6407. E= 0.69520419E+03 F= 0.64220404E+03 E0= 0.67270756E+03 EK= 0.53000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354740821276E+03 0.10264E+00 -0.16065E-01 8136 0.224E+01 0.249E-01 RMM: 2 -0.354758615602E+03 -0.17794E-01 -0.91479E-02 5324 0.660E-01 0.128E+00 RMM: 3 -0.354747622560E+03 0.10993E-01 -0.85304E-03 5426 0.202E-01 0.228E-01 RMM: 4 -0.354747349741E+03 0.27282E-03 -0.98660E-04 4657 0.669E-02 0.140E-01 RMM: 5 -0.354747288945E+03 0.60796E-04 -0.23415E-04 3905 0.411E-02 0.131E-01 RMM: 6 -0.354747204783E+03 0.84162E-04 -0.11312E-04 3862 0.295E-02 0.746E-02 RMM: 7 -0.354747268233E+03 -0.63450E-04 -0.96838E-05 3785 0.264E-02 0.122E-01 RMM: 8 -0.354747180347E+03 0.87885E-04 -0.49843E-05 3285 0.215E-02 0.430E-02 RMM: 9 -0.354747174642E+03 0.57057E-05 -0.14368E-05 2503 0.110E-02 7763 T= 6146. E= 0.69329787E+03 F= 0.64245133E+03 E0= 0.67294239E+03 EK= 0.50847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354859244100E+03 -0.11206E+00 -0.16170E-01 8856 0.221E+01 0.220E-01 RMM: 2 -0.354872039427E+03 -0.12795E-01 -0.88558E-02 5297 0.624E-01 0.926E-01 RMM: 3 -0.354865752084E+03 0.62873E-02 -0.70121E-03 5471 0.176E-01 0.195E-01 RMM: 4 -0.354865609361E+03 0.14272E-03 -0.82187E-04 4652 0.631E-02 0.157E-01 RMM: 5 -0.354865526674E+03 0.82687E-04 -0.19435E-04 3881 0.359E-02 0.133E-01 RMM: 6 -0.354865433895E+03 0.92779E-04 -0.94808E-05 3749 0.273E-02 0.627E-02 RMM: 7 -0.354865488078E+03 -0.54183E-04 -0.73175E-05 3576 0.232E-02 0.108E-01 RMM: 8 -0.354865415946E+03 0.72131E-04 -0.38874E-05 3094 0.194E-02 0.333E-02 RMM: 9 -0.354865413639E+03 0.23071E-05 -0.12458E-05 2472 0.101E-02 7764 T= 5992. E= 0.69205697E+03 F= 0.64248421E+03 E0= 0.67296962E+03 EK= 0.49573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355160818444E+03 -0.29540E+00 -0.18030E-01 9132 0.221E+01 0.249E-01 RMM: 2 -0.355177740839E+03 -0.16922E-01 -0.10169E-01 5347 0.664E-01 0.114E+00 RMM: 3 -0.355168303064E+03 0.94378E-02 -0.80996E-03 5419 0.195E-01 0.210E-01 RMM: 4 -0.355168214482E+03 0.88582E-04 -0.10743E-03 4663 0.724E-02 0.193E-01 RMM: 5 -0.355168072946E+03 0.14154E-03 -0.21759E-04 3886 0.359E-02 0.143E-01 RMM: 6 -0.355167949198E+03 0.12375E-03 -0.84806E-05 3632 0.265E-02 0.530E-02 RMM: 7 -0.355167993576E+03 -0.44377E-04 -0.65995E-05 3453 0.218E-02 0.995E-02 RMM: 8 -0.355167942953E+03 0.50623E-04 -0.41152E-05 3053 0.193E-02 0.449E-02 RMM: 9 -0.355167932768E+03 0.10185E-04 -0.13189E-05 2481 0.107E-02 7765 T= 5985. E= 0.69183973E+03 F= 0.64233155E+03 E0= 0.67281601E+03 EK= 0.49508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355550466387E+03 -0.38252E+00 -0.21337E-01 9120 0.224E+01 0.259E-01 RMM: 2 -0.355565486130E+03 -0.15020E-01 -0.12188E-01 5595 0.699E-01 0.859E-01 RMM: 3 -0.355559550230E+03 0.59359E-02 -0.84242E-03 5427 0.193E-01 0.223E-01 RMM: 4 -0.355559543044E+03 0.71860E-05 -0.10659E-03 4670 0.713E-02 0.235E-01 RMM: 5 -0.355559262793E+03 0.28025E-03 -0.23779E-04 3900 0.367E-02 0.144E-01 RMM: 6 -0.355559143937E+03 0.11886E-03 -0.94395E-05 3679 0.278E-02 0.561E-02 RMM: 7 -0.355559190877E+03 -0.46940E-04 -0.65774E-05 3458 0.217E-02 0.103E-01 RMM: 8 -0.355559139842E+03 0.51035E-04 -0.53335E-05 3165 0.192E-02 0.522E-02 RMM: 9 -0.355559124877E+03 0.14965E-04 -0.19691E-05 2520 0.131E-02 7766 T= 6113. E= 0.69266225E+03 F= 0.64208740E+03 E0= 0.67257242E+03 EK= 0.50575E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355902748840E+03 -0.34361E+00 -0.26200E-01 9180 0.229E+01 0.273E-01 RMM: 2 -0.355923558249E+03 -0.20809E-01 -0.15193E-01 5635 0.771E-01 0.108E+00 RMM: 3 -0.355914430484E+03 0.91278E-02 -0.95094E-03 5428 0.203E-01 0.212E-01 RMM: 4 -0.355914588376E+03 -0.15789E-03 -0.13420E-03 4664 0.822E-02 0.276E-01 RMM: 5 -0.355914120812E+03 0.46756E-03 -0.30204E-04 3896 0.424E-02 0.117E-01 RMM: 6 -0.355914047876E+03 0.72936E-04 -0.65485E-05 3430 0.227E-02 0.599E-02 RMM: 7 -0.355914078120E+03 -0.30244E-04 -0.68876E-05 3525 0.212E-02 0.953E-02 RMM: 8 -0.355914035218E+03 0.42903E-04 -0.74869E-05 3680 0.214E-02 0.424E-02 RMM: 9 -0.355914032044E+03 0.31737E-05 -0.18838E-05 2539 0.127E-02 7767 T= 6328. E= 0.69422398E+03 F= 0.64187547E+03 E0= 0.67235905E+03 EK= 0.52349E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356095175718E+03 -0.18114E+00 -0.31677E-01 9108 0.235E+01 0.278E-01 RMM: 2 -0.356116336320E+03 -0.21161E-01 -0.18252E-01 5628 0.827E-01 0.908E-01 RMM: 3 -0.356109321075E+03 0.70152E-02 -0.11067E-02 5480 0.214E-01 0.232E-01 RMM: 4 -0.356109380068E+03 -0.58993E-04 -0.13329E-03 4675 0.801E-02 0.274E-01 RMM: 5 -0.356108946980E+03 0.43309E-03 -0.31404E-04 3920 0.427E-02 0.136E-01 RMM: 6 -0.356108846025E+03 0.10095E-03 -0.90633E-05 3659 0.264E-02 0.607E-02 RMM: 7 -0.356108884197E+03 -0.38171E-04 -0.67878E-05 3472 0.214E-02 0.103E-01 RMM: 8 -0.356108833386E+03 0.50811E-04 -0.82970E-05 3800 0.215E-02 0.463E-02 RMM: 9 -0.356108832205E+03 0.11807E-05 -0.26473E-05 2754 0.149E-02 7768 T= 6545. E= 0.69596758E+03 F= 0.64181914E+03 E0= 0.67229615E+03 EK= 0.54148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356029143926E+03 0.79689E-01 -0.37883E-01 9048 0.240E+01 0.264E-01 RMM: 2 -0.356053501927E+03 -0.24358E-01 -0.20150E-01 5938 0.818E-01 0.977E-01 RMM: 3 -0.356044599908E+03 0.89020E-02 -0.90994E-03 5435 0.196E-01 0.189E-01 RMM: 4 -0.356044829986E+03 -0.23008E-03 -0.13003E-03 4662 0.793E-02 0.284E-01 RMM: 5 -0.356044336088E+03 0.49390E-03 -0.31299E-04 3901 0.429E-02 0.107E-01 RMM: 6 -0.356044280421E+03 0.55667E-04 -0.63142E-05 3401 0.215E-02 0.644E-02 RMM: 7 -0.356044310935E+03 -0.30514E-04 -0.85338E-05 3759 0.231E-02 0.969E-02 RMM: 8 -0.356044263795E+03 0.47141E-04 -0.76992E-05 3596 0.221E-02 0.381E-02 RMM: 9 -0.356044270230E+03 -0.64350E-05 -0.20468E-05 2553 0.131E-02 7769 T= 6677. E= 0.69725103E+03 F= 0.64201807E+03 E0= 0.67248106E+03 EK= 0.55233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355648643992E+03 0.39562E+00 -0.43487E-01 8868 0.242E+01 0.240E-01 RMM: 2 -0.355672134897E+03 -0.23491E-01 -0.21692E-01 6261 0.818E-01 0.755E-01 RMM: 3 -0.355665647702E+03 0.64872E-02 -0.76421E-03 5439 0.183E-01 0.204E-01 RMM: 4 -0.355665748337E+03 -0.10064E-03 -0.11095E-03 4691 0.701E-02 0.252E-01 RMM: 5 -0.355665367693E+03 0.38064E-03 -0.25552E-04 3889 0.381E-02 0.111E-01 RMM: 6 -0.355665313208E+03 0.54485E-04 -0.71008E-05 3490 0.233E-02 0.655E-02 RMM: 7 -0.355665369728E+03 -0.56521E-04 -0.81753E-05 3722 0.224E-02 0.115E-01 RMM: 8 -0.355665296819E+03 0.72910E-04 -0.70513E-05 3558 0.216E-02 0.384E-02 RMM: 9 -0.355665296998E+03 -0.17941E-06 -0.20175E-05 2549 0.129E-02 7770 T= 6663. E= 0.69764535E+03 F= 0.64252829E+03 E0= 0.67296984E+03 EK= 0.55117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354954928128E+03 0.71037E+00 -0.46967E-01 8772 0.242E+01 0.237E-01 RMM: 2 -0.354981002651E+03 -0.26075E-01 -0.22273E-01 6543 0.815E-01 0.910E-01 RMM: 3 -0.354972924005E+03 0.80786E-02 -0.70376E-03 5442 0.177E-01 0.172E-01 RMM: 4 -0.354973030687E+03 -0.10668E-03 -0.10135E-03 4679 0.676E-02 0.233E-01 RMM: 5 -0.354972716197E+03 0.31449E-03 -0.22649E-04 3885 0.367E-02 0.103E-01 RMM: 6 -0.354972676648E+03 0.39549E-04 -0.66697E-05 3457 0.225E-02 0.739E-02 RMM: 7 -0.354972734747E+03 -0.58099E-04 -0.10555E-04 3876 0.258E-02 0.117E-01 RMM: 8 -0.354972655688E+03 0.79060E-04 -0.60131E-05 3396 0.215E-02 0.356E-02 RMM: 9 -0.354972654116E+03 0.15717E-05 -0.13941E-05 2499 0.105E-02 7771 T= 6508. E= 0.69718506E+03 F= 0.64335016E+03 E0= 0.67376463E+03 EK= 0.53835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353997453395E+03 0.97520E+00 -0.46995E-01 8784 0.239E+01 0.235E-01 RMM: 2 -0.354023545575E+03 -0.26092E-01 -0.22390E-01 6406 0.829E-01 0.892E-01 RMM: 3 -0.354015870714E+03 0.76749E-02 -0.81153E-03 5395 0.190E-01 0.187E-01 RMM: 4 -0.354015870152E+03 0.56227E-06 -0.99107E-04 4719 0.648E-02 0.205E-01 RMM: 5 -0.354015627215E+03 0.24294E-03 -0.19940E-04 3888 0.343E-02 0.106E-01 RMM: 6 -0.354015594282E+03 0.32933E-04 -0.78760E-05 3566 0.245E-02 0.794E-02 RMM: 7 -0.354015662850E+03 -0.68568E-04 -0.91968E-05 3828 0.240E-02 0.128E-01 RMM: 8 -0.354015565472E+03 0.97378E-04 -0.55146E-05 3309 0.212E-02 0.336E-02 RMM: 9 -0.354015565645E+03 -0.17314E-06 -0.15503E-05 2503 0.112E-02 7772 T= 6275. E= 0.69635005E+03 F= 0.64443522E+03 E0= 0.67481899E+03 EK= 0.51915E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352849368217E+03 0.11662E+01 -0.43806E-01 8784 0.235E+01 0.232E-01 RMM: 2 -0.352874345515E+03 -0.24977E-01 -0.20032E-01 6247 0.805E-01 0.986E-01 RMM: 3 -0.352865743997E+03 0.86015E-02 -0.82193E-03 5476 0.187E-01 0.196E-01 RMM: 4 -0.352865620645E+03 0.12335E-03 -0.10026E-03 4677 0.664E-02 0.182E-01 RMM: 5 -0.352865451563E+03 0.16908E-03 -0.20170E-04 3889 0.356E-02 0.111E-01 RMM: 6 -0.352865403362E+03 0.48200E-04 -0.77432E-05 3563 0.243E-02 0.764E-02 RMM: 7 -0.352865464847E+03 -0.61485E-04 -0.99157E-05 3878 0.258E-02 0.119E-01 RMM: 8 -0.352865378819E+03 0.86028E-04 -0.53706E-05 3302 0.213E-02 0.338E-02 RMM: 9 -0.352865376819E+03 0.20002E-05 -0.12233E-05 2485 0.985E-03 7773 T= 6055. E= 0.69580271E+03 F= 0.64571220E+03 E0= 0.67606342E+03 EK= 0.50091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351572813678E+03 0.12926E+01 -0.37146E-01 8784 0.233E+01 0.223E-01 RMM: 2 -0.351594000825E+03 -0.21187E-01 -0.17228E-01 6185 0.750E-01 0.890E-01 RMM: 3 -0.351586395627E+03 0.76052E-02 -0.73973E-03 5404 0.182E-01 0.174E-01 RMM: 4 -0.351586369490E+03 0.26137E-04 -0.89694E-04 4713 0.617E-02 0.182E-01 RMM: 5 -0.351586173691E+03 0.19580E-03 -0.17755E-04 3882 0.325E-02 0.101E-01 RMM: 6 -0.351586140344E+03 0.33347E-04 -0.72297E-05 3481 0.236E-02 0.746E-02 RMM: 7 -0.351586196934E+03 -0.56590E-04 -0.83166E-05 3716 0.233E-02 0.119E-01 RMM: 8 -0.351586111182E+03 0.85752E-04 -0.48904E-05 3233 0.205E-02 0.279E-02 RMM: 9 -0.351586111629E+03 -0.44681E-06 -0.12592E-05 2477 0.100E-02 7774 T= 5922. E= 0.69610595E+03 F= 0.64711642E+03 E0= 0.67743391E+03 EK= 0.48990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350204377165E+03 0.13817E+01 -0.30415E-01 8784 0.232E+01 0.221E-01 RMM: 2 -0.350223086835E+03 -0.18710E-01 -0.14621E-01 5879 0.710E-01 0.908E-01 RMM: 3 -0.350215814975E+03 0.72719E-02 -0.69632E-03 5633 0.171E-01 0.198E-01 RMM: 4 -0.350215673914E+03 0.14106E-03 -0.86050E-04 4643 0.652E-02 0.169E-01 RMM: 5 -0.350215511581E+03 0.16233E-03 -0.18174E-04 3880 0.331E-02 0.985E-02 RMM: 6 -0.350215469155E+03 0.42426E-04 -0.61061E-05 3376 0.223E-02 0.645E-02 RMM: 7 -0.350215520885E+03 -0.51730E-04 -0.81220E-05 3722 0.234E-02 0.110E-01 RMM: 8 -0.350215447921E+03 0.72964E-04 -0.43481E-05 3162 0.194E-02 0.297E-02 RMM: 9 -0.350215445075E+03 0.28456E-05 -0.10024E-05 2463 0.883E-03 7775 T= 5919. E= 0.69757851E+03 F= 0.64860903E+03 E0= 0.67889153E+03 EK= 0.48969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348757677543E+03 0.14578E+01 -0.25340E-01 8784 0.234E+01 0.231E-01 RMM: 2 -0.348774472179E+03 -0.16795E-01 -0.12712E-01 5680 0.680E-01 0.911E-01 RMM: 3 -0.348767296279E+03 0.71759E-02 -0.68785E-03 5502 0.174E-01 0.181E-01 RMM: 4 -0.348767273696E+03 0.22583E-04 -0.83615E-04 4645 0.634E-02 0.190E-01 RMM: 5 -0.348767058544E+03 0.21515E-03 -0.17376E-04 3882 0.312E-02 0.106E-01 RMM: 6 -0.348767002547E+03 0.55997E-04 -0.62601E-05 3400 0.226E-02 0.580E-02 RMM: 7 -0.348767053655E+03 -0.51108E-04 -0.71640E-05 3581 0.212E-02 0.109E-01 RMM: 8 -0.348766982486E+03 0.71169E-04 -0.52984E-05 3264 0.208E-02 0.326E-02 RMM: 9 -0.348766978092E+03 0.43940E-05 -0.11997E-05 2467 0.981E-03 7776 T= 6054. E= 0.70025424E+03 F= 0.65017520E+03 E0= 0.68042074E+03 EK= 0.50079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347235434141E+03 0.15315E+01 -0.22529E-01 8976 0.237E+01 0.237E-01 RMM: 2 -0.347251931150E+03 -0.16497E-01 -0.11792E-01 5492 0.695E-01 0.975E-01 RMM: 3 -0.347244645510E+03 0.72856E-02 -0.76892E-03 5779 0.176E-01 0.217E-01 RMM: 4 -0.347244455715E+03 0.18979E-03 -0.91013E-04 4633 0.695E-02 0.183E-01 RMM: 5 -0.347244258721E+03 0.19699E-03 -0.18553E-04 3884 0.332E-02 0.104E-01 RMM: 6 -0.347244200283E+03 0.58438E-04 -0.54680E-05 3314 0.215E-02 0.541E-02 RMM: 7 -0.347244240213E+03 -0.39931E-04 -0.65495E-05 3530 0.211E-02 0.990E-02 RMM: 8 -0.347244180723E+03 0.59490E-04 -0.48340E-05 3078 0.188E-02 0.340E-02 RMM: 9 -0.347244176719E+03 0.40042E-05 -0.14846E-05 2480 0.110E-02 7777 T= 6292. E= 0.70386086E+03 F= 0.65181059E+03 E0= 0.68201659E+03 EK= 0.52050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345652478869E+03 0.15917E+01 -0.21526E-01 8760 0.241E+01 0.247E-01 RMM: 2 -0.345669638857E+03 -0.17160E-01 -0.11427E-01 5432 0.710E-01 0.106E+00 RMM: 3 -0.345661373262E+03 0.82656E-02 -0.86063E-03 5555 0.193E-01 0.197E-01 RMM: 4 -0.345661275454E+03 0.97808E-04 -0.94906E-04 4641 0.692E-02 0.191E-01 RMM: 5 -0.345661048226E+03 0.22723E-03 -0.18445E-04 3885 0.328E-02 0.103E-01 RMM: 6 -0.345660988858E+03 0.59368E-04 -0.50094E-05 3224 0.207E-02 0.535E-02 RMM: 7 -0.345661016923E+03 -0.28065E-04 -0.66957E-05 3523 0.209E-02 0.934E-02 RMM: 8 -0.345660963698E+03 0.53225E-04 -0.61618E-05 3389 0.201E-02 0.341E-02 RMM: 9 -0.345660960764E+03 0.29344E-05 -0.15769E-05 2484 0.113E-02 7778 T= 6565. E= 0.70780990E+03 F= 0.65350112E+03 E0= 0.68366461E+03 EK= 0.54309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344051283261E+03 0.16097E+01 -0.20985E-01 8664 0.244E+01 0.224E-01 RMM: 2 -0.344066440578E+03 -0.15157E-01 -0.11045E-01 5391 0.709E-01 0.938E-01 RMM: 3 -0.344060108105E+03 0.63325E-02 -0.81708E-03 5758 0.179E-01 0.198E-01 RMM: 4 -0.344059964690E+03 0.14342E-03 -0.82384E-04 4633 0.666E-02 0.188E-01 RMM: 5 -0.344059743004E+03 0.22169E-03 -0.17503E-04 3882 0.325E-02 0.987E-02 RMM: 6 -0.344059688531E+03 0.54473E-04 -0.50378E-05 3239 0.207E-02 0.551E-02 RMM: 7 -0.344059714937E+03 -0.26407E-04 -0.76620E-05 3701 0.223E-02 0.938E-02 RMM: 8 -0.344059658140E+03 0.56798E-04 -0.58319E-05 3215 0.189E-02 0.319E-02 RMM: 9 -0.344059656799E+03 0.13410E-05 -0.16517E-05 2486 0.117E-02 7779 T= 6780. E= 0.71129252E+03 F= 0.65520505E+03 E0= 0.68532378E+03 EK= 0.56087E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342511702413E+03 0.15480E+01 -0.20261E-01 8304 0.245E+01 0.215E-01 RMM: 2 -0.342527205450E+03 -0.15503E-01 -0.11139E-01 5304 0.714E-01 0.939E-01 RMM: 3 -0.342520549432E+03 0.66560E-02 -0.87115E-03 5601 0.190E-01 0.179E-01 RMM: 4 -0.342520454296E+03 0.95135E-04 -0.80513E-04 4654 0.641E-02 0.173E-01 RMM: 5 -0.342520257746E+03 0.19655E-03 -0.15169E-04 3881 0.297E-02 0.967E-02 RMM: 6 -0.342520206797E+03 0.50949E-04 -0.45634E-05 3166 0.197E-02 0.547E-02 RMM: 7 -0.342520231452E+03 -0.24655E-04 -0.80775E-05 3708 0.223E-02 0.947E-02 RMM: 8 -0.342520174657E+03 0.56795E-04 -0.61332E-05 3358 0.197E-02 0.317E-02 RMM: 9 -0.342520172102E+03 0.25545E-05 -0.14692E-05 2478 0.109E-02 7780 T= 6856. E= 0.71356499E+03 F= 0.65684365E+03 E0= 0.68691733E+03 EK= 0.56721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341147325478E+03 0.13728E+01 -0.19460E-01 8280 0.244E+01 0.206E-01 RMM: 2 -0.341162224482E+03 -0.14899E-01 -0.10759E-01 5232 0.706E-01 0.915E-01 RMM: 3 -0.341155827705E+03 0.63968E-02 -0.85714E-03 5611 0.190E-01 0.177E-01 RMM: 4 -0.341155708395E+03 0.11931E-03 -0.75280E-04 4658 0.617E-02 0.160E-01 RMM: 5 -0.341155541541E+03 0.16685E-03 -0.13823E-04 3866 0.292E-02 0.905E-02 RMM: 6 -0.341155499322E+03 0.42219E-04 -0.48515E-05 3186 0.203E-02 0.583E-02 RMM: 7 -0.341155527351E+03 -0.28030E-04 -0.74688E-05 3672 0.222E-02 0.963E-02 RMM: 8 -0.341155466533E+03 0.60818E-04 -0.53838E-05 3141 0.189E-02 0.328E-02 RMM: 9 -0.341155463481E+03 0.30524E-05 -0.16227E-05 2490 0.114E-02 7781 T= 6770. E= 0.71431333E+03 F= 0.65830536E+03 E0= 0.68833677E+03 EK= 0.56008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340083748263E+03 0.10717E+01 -0.18308E-01 7968 0.241E+01 0.203E-01 RMM: 2 -0.340098599631E+03 -0.14851E-01 -0.10457E-01 5129 0.714E-01 0.918E-01 RMM: 3 -0.340092211584E+03 0.63880E-02 -0.93977E-03 5589 0.199E-01 0.185E-01 RMM: 4 -0.340092025275E+03 0.18631E-03 -0.73839E-04 4650 0.606E-02 0.137E-01 RMM: 5 -0.340091908590E+03 0.11668E-03 -0.12799E-04 3875 0.288E-02 0.955E-02 RMM: 6 -0.340091859909E+03 0.48681E-04 -0.50046E-05 3221 0.205E-02 0.557E-02 RMM: 7 -0.340091888813E+03 -0.28904E-04 -0.67875E-05 3533 0.216E-02 0.941E-02 RMM: 8 -0.340091832647E+03 0.56167E-04 -0.49638E-05 3115 0.192E-02 0.339E-02 RMM: 9 -0.340091828684E+03 0.39624E-05 -0.15946E-05 2487 0.113E-02 7782 T= 6569. E= 0.71380436E+03 F= 0.65946518E+03 E0= 0.68946044E+03 EK= 0.54339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339432675262E+03 0.65916E+00 -0.16857E-01 7884 0.236E+01 0.202E-01 RMM: 2 -0.339446435150E+03 -0.13760E-01 -0.90845E-02 5193 0.680E-01 0.957E-01 RMM: 3 -0.339439846751E+03 0.65884E-02 -0.81330E-03 5559 0.188E-01 0.166E-01 RMM: 4 -0.339439723793E+03 0.12296E-03 -0.67250E-04 4641 0.580E-02 0.142E-01 RMM: 5 -0.339439595614E+03 0.12818E-03 -0.12378E-04 3881 0.293E-02 0.844E-02 RMM: 6 -0.339439562224E+03 0.33390E-04 -0.45864E-05 3133 0.198E-02 0.602E-02 RMM: 7 -0.339439588465E+03 -0.26241E-04 -0.68178E-05 3572 0.219E-02 0.924E-02 RMM: 8 -0.339439534385E+03 0.54079E-04 -0.39920E-05 2974 0.182E-02 0.304E-02 RMM: 9 -0.339439532458E+03 0.19274E-05 -0.13967E-05 2469 0.105E-02 7783 T= 6342. E= 0.71268240E+03 F= 0.66021367E+03 E0= 0.69018170E+03 EK= 0.52469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339259621473E+03 0.17991E+00 -0.16078E-01 7668 0.233E+01 0.202E-01 RMM: 2 -0.339272997600E+03 -0.13376E-01 -0.88514E-02 5182 0.680E-01 0.935E-01 RMM: 3 -0.339266745620E+03 0.62520E-02 -0.83181E-03 5570 0.184E-01 0.179E-01 RMM: 4 -0.339266569290E+03 0.17633E-03 -0.67534E-04 4642 0.588E-02 0.133E-01 RMM: 5 -0.339266467219E+03 0.10207E-03 -0.12408E-04 3882 0.290E-02 0.941E-02 RMM: 6 -0.339266419406E+03 0.47813E-04 -0.51248E-05 3254 0.209E-02 0.513E-02 RMM: 7 -0.339266448931E+03 -0.29525E-04 -0.53888E-05 3296 0.199E-02 0.884E-02 RMM: 8 -0.339266400013E+03 0.48918E-04 -0.35730E-05 2849 0.180E-02 0.283E-02 RMM: 9 -0.339266398114E+03 0.18992E-05 -0.12409E-05 2461 0.996E-03 7784 T= 6180. E= 0.71160901E+03 F= 0.66048328E+03 E0= 0.69043485E+03 EK= 0.51126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339576797741E+03 -0.31040E+00 -0.15675E-01 7884 0.231E+01 0.200E-01 RMM: 2 -0.339588350257E+03 -0.11553E-01 -0.70374E-02 5288 0.610E-01 0.948E-01 RMM: 3 -0.339582099442E+03 0.62508E-02 -0.60173E-03 5517 0.164E-01 0.152E-01 RMM: 4 -0.339582069141E+03 0.30301E-04 -0.60992E-04 4611 0.564E-02 0.157E-01 RMM: 5 -0.339581921622E+03 0.14752E-03 -0.12145E-04 3873 0.286E-02 0.859E-02 RMM: 6 -0.339581881040E+03 0.40582E-04 -0.41644E-05 3091 0.192E-02 0.477E-02 RMM: 7 -0.339581907338E+03 -0.26299E-04 -0.46976E-05 3135 0.191E-02 0.829E-02 RMM: 8 -0.339581864354E+03 0.42984E-04 -0.29609E-05 2691 0.165E-02 0.227E-02 RMM: 9 -0.339581864433E+03 -0.78988E-07 -0.97204E-06 2450 0.862E-03 7785 T= 6134. E= 0.71101254E+03 F= 0.66026430E+03 E0= 0.69021072E+03 EK= 0.50748E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340333263072E+03 -0.75140E+00 -0.16299E-01 7872 0.232E+01 0.200E-01 RMM: 2 -0.340344402414E+03 -0.11139E-01 -0.83178E-02 5220 0.651E-01 0.804E-01 RMM: 3 -0.340339744840E+03 0.46576E-02 -0.73104E-03 5606 0.172E-01 0.160E-01 RMM: 4 -0.340339694620E+03 0.50220E-04 -0.66141E-04 4643 0.594E-02 0.171E-01 RMM: 5 -0.340339529455E+03 0.16516E-03 -0.13443E-04 3864 0.290E-02 0.988E-02 RMM: 6 -0.340339470137E+03 0.59319E-04 -0.46327E-05 3183 0.205E-02 0.397E-02 RMM: 7 -0.340339489658E+03 -0.19521E-04 -0.35649E-05 2829 0.169E-02 7786 T= 6213. E= 0.71100178E+03 F= 0.65960261E+03 E0= 0.68955490E+03 EK= 0.51399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341445259450E+03 -0.11058E+01 -0.16010E-01 8064 0.235E+01 0.208E-01 RMM: 2 -0.341455858482E+03 -0.10599E-01 -0.79811E-02 5458 0.612E-01 0.794E-01 RMM: 3 -0.341451134167E+03 0.47243E-02 -0.56297E-03 5608 0.159E-01 0.190E-01 RMM: 4 -0.341451042647E+03 0.91520E-04 -0.69879E-04 4643 0.600E-02 0.175E-01 RMM: 5 -0.341450842008E+03 0.20064E-03 -0.13619E-04 3843 0.294E-02 0.700E-02 RMM: 6 -0.341450822453E+03 0.19555E-04 -0.29771E-05 2826 0.169E-02 7787 T= 6381. E= 0.71137353E+03 F= 0.65858615E+03 E0= 0.68855382E+03 EK= 0.52787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342796339133E+03 -0.13455E+01 -0.17133E-01 8592 0.239E+01 0.318E-01 RMM: 2 -0.342820269236E+03 -0.23930E-01 -0.96160E-02 5440 0.672E-01 0.159E+00 RMM: 3 -0.342803152597E+03 0.17117E-01 -0.10939E-02 5342 0.245E-01 0.309E-01 RMM: 4 -0.342802602585E+03 0.55001E-03 -0.14446E-03 4661 0.800E-02 0.150E-01 RMM: 5 -0.342802525389E+03 0.77196E-04 -0.22335E-04 3891 0.368E-02 0.142E-01 RMM: 6 -0.342802402532E+03 0.12286E-03 -0.82714E-05 3594 0.266E-02 0.584E-02 RMM: 7 -0.342802415876E+03 -0.13344E-04 -0.40573E-05 2974 0.181E-02 7788 T= 6569. E= 0.71167107E+03 F= 0.65732819E+03 E0= 0.68731896E+03 EK= 0.54343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344266529328E+03 -0.14641E+01 -0.18112E-01 8652 0.242E+01 0.291E-01 RMM: 2 -0.344289072682E+03 -0.22543E-01 -0.10126E-01 5472 0.669E-01 0.148E+00 RMM: 3 -0.344273699360E+03 0.15373E-01 -0.93162E-03 5347 0.225E-01 0.296E-01 RMM: 4 -0.344273249290E+03 0.45007E-03 -0.14612E-03 4670 0.830E-02 0.175E-01 RMM: 5 -0.344273173649E+03 0.75641E-04 -0.25086E-04 3890 0.413E-02 0.149E-01 RMM: 6 -0.344273026990E+03 0.14666E-03 -0.78135E-05 3518 0.264E-02 0.412E-02 RMM: 7 -0.344273024866E+03 0.21241E-05 -0.18256E-05 2544 0.123E-02 7789 T= 6696. E= 0.71134012E+03 F= 0.65595019E+03 E0= 0.68597044E+03 EK= 0.55390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345745479157E+03 -0.14725E+01 -0.19094E-01 8724 0.243E+01 0.323E-01 RMM: 2 -0.345773270391E+03 -0.27791E-01 -0.11346E-01 5426 0.715E-01 0.170E+00 RMM: 3 -0.345753558117E+03 0.19712E-01 -0.12023E-02 5349 0.254E-01 0.302E-01 RMM: 4 -0.345753035916E+03 0.52220E-03 -0.14809E-03 4657 0.798E-02 0.151E-01 RMM: 5 -0.345752960740E+03 0.75176E-04 -0.23844E-04 3893 0.377E-02 0.144E-01 RMM: 6 -0.345752825299E+03 0.13544E-03 -0.97261E-05 3692 0.282E-02 0.547E-02 RMM: 7 -0.345752850728E+03 -0.25428E-04 -0.49085E-05 3131 0.192E-02 0.941E-02 RMM: 8 -0.345752803778E+03 0.46950E-04 -0.10591E-04 3888 0.231E-02 0.555E-02 RMM: 9 -0.345752787311E+03 0.16467E-04 -0.25389E-05 2687 0.144E-02 7790 T= 6700. E= 0.70999359E+03 F= 0.65456262E+03 E0= 0.68461585E+03 EK= 0.55431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347152091797E+03 -0.13993E+01 -0.19538E-01 8832 0.242E+01 0.206E-01 RMM: 2 -0.347165636875E+03 -0.13545E-01 -0.10855E-01 5542 0.649E-01 0.786E-01 RMM: 3 -0.347160150362E+03 0.54865E-02 -0.70922E-03 5359 0.181E-01 0.173E-01 RMM: 4 -0.347160285969E+03 -0.13561E-03 -0.93704E-04 4666 0.655E-02 0.226E-01 RMM: 5 -0.347159971446E+03 0.31452E-03 -0.19820E-04 3888 0.344E-02 0.910E-02 RMM: 6 -0.347159919530E+03 0.51916E-04 -0.42203E-05 3093 0.193E-02 0.399E-02 RMM: 7 -0.347159934852E+03 -0.15322E-04 -0.32358E-05 2704 0.159E-02 7791 T= 6576. E= 0.70764655E+03 F= 0.65324797E+03 E0= 0.68333594E+03 EK= 0.54399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348438400632E+03 -0.12785E+01 -0.20212E-01 8844 0.239E+01 0.206E-01 RMM: 2 -0.348453214726E+03 -0.14814E-01 -0.11589E-01 5462 0.693E-01 0.853E-01 RMM: 3 -0.348447235532E+03 0.59792E-02 -0.83665E-03 5580 0.185E-01 0.164E-01 RMM: 4 -0.348447168527E+03 0.67006E-04 -0.78480E-04 4709 0.587E-02 0.149E-01 RMM: 5 -0.348447041701E+03 0.12683E-03 -0.13851E-04 3873 0.271E-02 0.948E-02 RMM: 6 -0.348446996973E+03 0.44729E-04 -0.49487E-05 3212 0.202E-02 0.561E-02 RMM: 7 -0.348447041639E+03 -0.44666E-04 -0.68483E-05 3597 0.209E-02 0.104E-01 RMM: 8 -0.348446975474E+03 0.66165E-04 -0.38969E-05 2980 0.183E-02 0.281E-02 RMM: 9 -0.348446974439E+03 0.10349E-05 -0.12404E-05 2464 0.988E-03 7792 T= 6368. E= 0.70473516E+03 F= 0.65205425E+03 E0= 0.68217722E+03 EK= 0.52681E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349589155776E+03 -0.11422E+01 -0.20819E-01 8952 0.235E+01 0.194E-01 RMM: 2 -0.349602908025E+03 -0.13752E-01 -0.12097E-01 5445 0.691E-01 0.691E-01 RMM: 3 -0.349598257928E+03 0.46501E-02 -0.77671E-03 5747 0.176E-01 0.145E-01 RMM: 4 -0.349598308852E+03 -0.50923E-04 -0.77846E-04 4663 0.605E-02 0.192E-01 RMM: 5 -0.349598090133E+03 0.21872E-03 -0.16167E-04 3887 0.305E-02 0.937E-02 RMM: 6 -0.349598038465E+03 0.51668E-04 -0.51418E-05 3266 0.210E-02 0.402E-02 RMM: 7 -0.349598062220E+03 -0.23755E-04 -0.35764E-05 2776 0.167E-02 0.779E-02 RMM: 8 -0.349598024520E+03 0.37700E-04 -0.26301E-05 2573 0.154E-02 0.198E-02 RMM: 9 -0.349598024797E+03 -0.27684E-06 -0.89638E-06 2437 0.800E-03 7793 T= 6153. E= 0.70189851E+03 F= 0.65099745E+03 E0= 0.68115358E+03 EK= 0.50901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350610730512E+03 -0.10127E+01 -0.21495E-01 9000 0.231E+01 0.181E-01 RMM: 2 -0.350624499340E+03 -0.13769E-01 -0.11982E-01 5642 0.657E-01 0.683E-01 RMM: 3 -0.350619461116E+03 0.50382E-02 -0.56919E-03 5709 0.156E-01 0.138E-01 RMM: 4 -0.350619485222E+03 -0.24106E-04 -0.65771E-04 4672 0.556E-02 0.170E-01 RMM: 5 -0.350619297181E+03 0.18804E-03 -0.12823E-04 3854 0.268E-02 0.760E-02 RMM: 6 -0.350619275439E+03 0.21742E-04 -0.37204E-05 3022 0.179E-02 0.534E-02 RMM: 7 -0.350619298703E+03 -0.23264E-04 -0.47728E-05 3192 0.186E-02 0.840E-02 RMM: 8 -0.350619254634E+03 0.44070E-04 -0.29104E-05 2734 0.164E-02 0.196E-02 RMM: 9 -0.350619256011E+03 -0.13774E-05 -0.92500E-06 2444 0.805E-03 7794 T= 6001. E= 0.69971186E+03 F= 0.65007093E+03 E0= 0.68025687E+03 EK= 0.49641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351517319525E+03 -0.89806E+00 -0.21898E-01 8892 0.229E+01 0.192E-01 RMM: 2 -0.351531870018E+03 -0.14550E-01 -0.12449E-01 5644 0.666E-01 0.733E-01 RMM: 3 -0.351526299751E+03 0.55703E-02 -0.61868E-03 5753 0.162E-01 0.153E-01 RMM: 4 -0.351526291109E+03 0.86423E-05 -0.71916E-04 4694 0.575E-02 0.168E-01 RMM: 5 -0.351526129131E+03 0.16198E-03 -0.13241E-04 3875 0.273E-02 0.933E-02 RMM: 6 -0.351526078773E+03 0.50357E-04 -0.41938E-05 3123 0.194E-02 0.393E-02 RMM: 7 -0.351526105215E+03 -0.26441E-04 -0.34242E-05 2794 0.165E-02 0.778E-02 RMM: 8 -0.351526068130E+03 0.37085E-04 -0.26202E-05 2588 0.153E-02 0.200E-02 RMM: 9 -0.351526068177E+03 -0.47159E-07 -0.84898E-06 2439 0.788E-03 7795 T= 5956. E= 0.69852829E+03 F= 0.64925838E+03 E0= 0.67946943E+03 EK= 0.49270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352323026668E+03 -0.79696E+00 -0.22401E-01 8928 0.229E+01 0.182E-01 RMM: 2 -0.352337495710E+03 -0.14469E-01 -0.12918E-01 5702 0.664E-01 0.659E-01 RMM: 3 -0.352332354390E+03 0.51413E-02 -0.57693E-03 5652 0.157E-01 0.131E-01 RMM: 4 -0.352332435452E+03 -0.81062E-04 -0.71838E-04 4682 0.578E-02 0.186E-01 RMM: 5 -0.352332206611E+03 0.22884E-03 -0.14432E-04 3885 0.283E-02 0.719E-02 RMM: 6 -0.352332183203E+03 0.23407E-04 -0.30359E-05 2865 0.163E-02 0.444E-02 RMM: 7 -0.352332202172E+03 -0.18968E-04 -0.35407E-05 2819 0.163E-02 7796 T= 6031. E= 0.69843442E+03 F= 0.64854492E+03 E0= 0.67877470E+03 EK= 0.49889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353034907466E+03 -0.70272E+00 -0.23876E-01 8820 0.231E+01 0.193E-01 RMM: 2 -0.353050277486E+03 -0.15370E-01 -0.13644E-01 5746 0.682E-01 0.689E-01 RMM: 3 -0.353044805712E+03 0.54718E-02 -0.62091E-03 5613 0.164E-01 0.166E-01 RMM: 4 -0.353044802160E+03 0.35513E-05 -0.78571E-04 4721 0.588E-02 0.177E-01 RMM: 5 -0.353044602649E+03 0.19951E-03 -0.13934E-04 3870 0.278E-02 0.734E-02 RMM: 6 -0.353044577461E+03 0.25188E-04 -0.27921E-05 2805 0.159E-02 0.451E-02 RMM: 7 -0.353044598446E+03 -0.20985E-04 -0.40457E-05 3023 0.174E-02 0.761E-02 RMM: 8 -0.353044564824E+03 0.33621E-04 -0.34263E-05 2793 0.168E-02 0.190E-02 RMM: 9 -0.353044567963E+03 -0.31382E-05 -0.10860E-05 2451 0.924E-03 7797 T= 6205. E= 0.69925109E+03 F= 0.64792267E+03 E0= 0.67816375E+03 EK= 0.51328E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353652189843E+03 -0.60763E+00 -0.25660E-01 8904 0.234E+01 0.205E-01 RMM: 2 -0.353669272497E+03 -0.17083E-01 -0.15160E-01 5611 0.732E-01 0.737E-01 RMM: 3 -0.353663302204E+03 0.59703E-02 -0.78744E-03 5806 0.177E-01 0.127E-01 RMM: 4 -0.353663430759E+03 -0.12855E-03 -0.84124E-04 4723 0.621E-02 0.220E-01 RMM: 5 -0.353663113538E+03 0.31722E-03 -0.17630E-04 3886 0.326E-02 0.723E-02 RMM: 6 -0.353663084027E+03 0.29512E-04 -0.33886E-05 2943 0.173E-02 0.361E-02 RMM: 7 -0.353663088267E+03 -0.42399E-05 -0.20371E-05 2527 0.126E-02 7798 T= 6426. E= 0.70054772E+03 F= 0.64739111E+03 E0= 0.67763578E+03 EK= 0.53157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354174675337E+03 -0.51159E+00 -0.27133E-01 8736 0.237E+01 0.190E-01 RMM: 2 -0.354191489260E+03 -0.16814E-01 -0.15191E-01 5823 0.719E-01 0.672E-01 RMM: 3 -0.354185945159E+03 0.55441E-02 -0.65179E-03 5602 0.168E-01 0.169E-01 RMM: 4 -0.354185900248E+03 0.44911E-04 -0.79165E-04 4734 0.586E-02 0.166E-01 RMM: 5 -0.354185716212E+03 0.18404E-03 -0.13778E-04 3873 0.277E-02 0.699E-02 RMM: 6 -0.354185700471E+03 0.15741E-04 -0.29643E-05 2847 0.162E-02 7799 T= 6620. E= 0.70171537E+03 F= 0.64695225E+03 E0= 0.67719365E+03 EK= 0.54763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354604940622E+03 -0.41922E+00 -0.28246E-01 8544 0.239E+01 0.286E-01 RMM: 2 -0.354632875441E+03 -0.27935E-01 -0.15987E-01 5743 0.751E-01 0.145E+00 RMM: 3 -0.354616639281E+03 0.16236E-01 -0.10868E-02 5353 0.233E-01 0.266E-01 RMM: 4 -0.354616280937E+03 0.35834E-03 -0.13992E-03 4713 0.755E-02 0.156E-01 RMM: 5 -0.354616156084E+03 0.12485E-03 -0.19169E-04 3892 0.329E-02 0.104E-01 RMM: 6 -0.354616096386E+03 0.59698E-04 -0.49640E-05 3218 0.205E-02 0.524E-02 RMM: 7 -0.354616112452E+03 -0.16067E-04 -0.37224E-05 2888 0.176E-02 7800 T= 6716. E= 0.70216034E+03 F= 0.64660280E+03 E0= 0.67683649E+03 EK= 0.55558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354958196331E+03 -0.34210E+00 -0.28468E-01 8376 0.239E+01 0.290E-01 RMM: 2 -0.354987485128E+03 -0.29289E-01 -0.15617E-01 5705 0.755E-01 0.153E+00 RMM: 3 -0.354969769932E+03 0.17715E-01 -0.11021E-02 5347 0.239E-01 0.333E-01 RMM: 4 -0.354969076607E+03 0.69332E-03 -0.16642E-03 4703 0.857E-02 0.130E-01 RMM: 5 -0.354969090650E+03 -0.14042E-04 -0.24922E-04 3890 0.390E-02 0.146E-01 RMM: 6 -0.354968956500E+03 0.13415E-03 -0.73044E-05 3478 0.248E-02 0.409E-02 RMM: 7 -0.354968958237E+03 -0.17371E-05 -0.20587E-05 2546 0.130E-02 7801 T= 6678. E= 0.70157163E+03 F= 0.64632880E+03 E0= 0.67655260E+03 EK= 0.55243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355260495219E+03 -0.29154E+00 -0.28187E-01 8388 0.238E+01 0.270E-01 RMM: 2 -0.355286293099E+03 -0.25798E-01 -0.15168E-01 5666 0.754E-01 0.138E+00 RMM: 3 -0.355271918693E+03 0.14374E-01 -0.10612E-02 5383 0.227E-01 0.265E-01 RMM: 4 -0.355271484077E+03 0.43462E-03 -0.12216E-03 4706 0.713E-02 0.126E-01 RMM: 5 -0.355271437796E+03 0.46281E-04 -0.18966E-04 3891 0.339E-02 0.119E-01 RMM: 6 -0.355271350034E+03 0.87762E-04 -0.70214E-05 3451 0.240E-02 0.505E-02 RMM: 7 -0.355271370211E+03 -0.20177E-04 -0.33392E-05 2781 0.163E-02 0.806E-02 RMM: 8 -0.355271338031E+03 0.32180E-04 -0.70735E-05 3755 0.213E-02 0.444E-02 RMM: 9 -0.355271328076E+03 0.99549E-05 -0.15341E-05 2494 0.115E-02 7802 T= 6525. E= 0.70008242E+03 F= 0.64610380E+03 E0= 0.67631811E+03 EK= 0.53979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355549294073E+03 -0.27796E+00 -0.25680E-01 8532 0.235E+01 0.188E-01 RMM: 2 -0.355566341515E+03 -0.17047E-01 -0.13890E-01 5645 0.719E-01 0.812E-01 RMM: 3 -0.355560116747E+03 0.62248E-02 -0.78984E-03 5420 0.194E-01 0.182E-01 RMM: 4 -0.355560028834E+03 0.87913E-04 -0.88668E-04 4708 0.626E-02 0.159E-01 RMM: 5 -0.355559890767E+03 0.13807E-03 -0.14990E-04 3882 0.311E-02 0.919E-02 RMM: 6 -0.355559840330E+03 0.50437E-04 -0.41668E-05 3088 0.193E-02 0.421E-02 RMM: 7 -0.355559859254E+03 -0.18924E-04 -0.34965E-05 2802 0.171E-02 7803 T= 6321. E= 0.69818533E+03 F= 0.64589155E+03 E0= 0.67609784E+03 EK= 0.52294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355863898250E+03 -0.30406E+00 -0.22723E-01 8640 0.232E+01 0.196E-01 RMM: 2 -0.355880521867E+03 -0.16624E-01 -0.12583E-01 5470 0.712E-01 0.894E-01 RMM: 3 -0.355873687000E+03 0.68349E-02 -0.84613E-03 5609 0.189E-01 0.180E-01 RMM: 4 -0.355873475555E+03 0.21145E-03 -0.72176E-04 4740 0.568E-02 0.112E-01 RMM: 5 -0.355873411094E+03 0.64461E-04 -0.10824E-04 3794 0.261E-02 0.874E-02 RMM: 6 -0.355873376649E+03 0.34445E-04 -0.38808E-05 3033 0.183E-02 0.567E-02 RMM: 7 -0.355873415110E+03 -0.38460E-04 -0.61628E-05 3442 0.204E-02 0.992E-02 RMM: 8 -0.355873356449E+03 0.58661E-04 -0.44971E-05 3092 0.195E-02 0.312E-02 RMM: 9 -0.355873353721E+03 0.27276E-05 -0.12530E-05 2463 0.994E-03 7804 T= 6143. E= 0.69647478E+03 F= 0.64565320E+03 E0= 0.67585325E+03 EK= 0.50822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356235265317E+03 -0.36191E+00 -0.21057E-01 8892 0.230E+01 0.185E-01 RMM: 2 -0.356250307536E+03 -0.15042E-01 -0.11802E-01 5272 0.703E-01 0.833E-01 RMM: 3 -0.356244518090E+03 0.57894E-02 -0.85107E-03 5640 0.187E-01 0.164E-01 RMM: 4 -0.356244405724E+03 0.11237E-03 -0.71823E-04 4710 0.582E-02 0.147E-01 RMM: 5 -0.356244265208E+03 0.14052E-03 -0.12346E-04 3826 0.282E-02 0.755E-02 RMM: 6 -0.356244235938E+03 0.29270E-04 -0.38167E-05 3028 0.183E-02 0.473E-02 RMM: 7 -0.356244252463E+03 -0.16525E-04 -0.35184E-05 2759 0.169E-02 7805 T= 6051. E= 0.69541282E+03 F= 0.64535591E+03 E0= 0.67555079E+03 EK= 0.50057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356688061444E+03 -0.44383E+00 -0.19141E-01 8880 0.230E+01 0.179E-01 RMM: 2 -0.356700415312E+03 -0.12354E-01 -0.98718E-02 5380 0.652E-01 0.745E-01 RMM: 3 -0.356695765796E+03 0.46495E-02 -0.71647E-03 5755 0.170E-01 0.162E-01 RMM: 4 -0.356695622477E+03 0.14332E-03 -0.57094E-04 4612 0.518E-02 0.124E-01 RMM: 5 -0.356695526987E+03 0.95490E-04 -0.89864E-05 3668 0.236E-02 0.807E-02 RMM: 6 -0.356695501760E+03 0.25227E-04 -0.34199E-05 2906 0.176E-02 0.581E-02 RMM: 7 -0.356695533868E+03 -0.32109E-04 -0.73366E-05 3595 0.214E-02 0.976E-02 RMM: 8 -0.356695473745E+03 0.60124E-04 -0.43963E-05 3099 0.192E-02 0.217E-02 RMM: 9 -0.356695475288E+03 -0.15432E-05 -0.11591E-05 2456 0.964E-03 7806 T= 6073. E= 0.69521588E+03 F= 0.64497612E+03 E0= 0.67516515E+03 EK= 0.50240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357233847223E+03 -0.53837E+00 -0.18288E-01 8568 0.232E+01 0.208E-01 RMM: 2 -0.357247290210E+03 -0.13443E-01 -0.95980E-02 5192 0.676E-01 0.911E-01 RMM: 3 -0.357241360818E+03 0.59294E-02 -0.86024E-03 5808 0.184E-01 0.179E-01 RMM: 4 -0.357241173198E+03 0.18762E-03 -0.73787E-04 4680 0.612E-02 0.152E-01 RMM: 5 -0.357241055319E+03 0.11788E-03 -0.13730E-04 3843 0.299E-02 0.956E-02 RMM: 6 -0.357240999342E+03 0.55978E-04 -0.43821E-05 3143 0.202E-02 0.371E-02 RMM: 7 -0.357241009938E+03 -0.10597E-04 -0.22425E-05 2560 0.135E-02 7807 T= 6204. E= 0.69582669E+03 F= 0.64449921E+03 E0= 0.67468239E+03 EK= 0.51327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357880252774E+03 -0.63925E+00 -0.17354E-01 8232 0.235E+01 0.183E-01 RMM: 2 -0.357889901265E+03 -0.96485E-02 -0.77525E-02 5362 0.608E-01 0.695E-01 RMM: 3 -0.357886194537E+03 0.37067E-02 -0.62246E-03 5770 0.160E-01 0.153E-01 RMM: 4 -0.357886099193E+03 0.95343E-04 -0.52532E-04 4631 0.507E-02 0.143E-01 RMM: 5 -0.357885973391E+03 0.12580E-03 -0.95784E-05 3698 0.249E-02 0.775E-02 RMM: 6 -0.357885946638E+03 0.26754E-04 -0.31823E-05 2909 0.172E-02 0.504E-02 RMM: 7 -0.357885972574E+03 -0.25936E-04 -0.49794E-05 3198 0.189E-02 0.880E-02 RMM: 8 -0.357885924428E+03 0.48146E-04 -0.41325E-05 2948 0.183E-02 0.263E-02 RMM: 9 -0.357885924348E+03 0.80416E-07 -0.12460E-05 2457 0.101E-02 7808 T= 6406. E= 0.69691747E+03 F= 0.64391972E+03 E0= 0.67409513E+03 EK= 0.52998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358619758781E+03 -0.73383E+00 -0.17305E-01 7800 0.239E+01 0.217E-01 RMM: 2 -0.358632232462E+03 -0.12474E-01 -0.78103E-02 5214 0.641E-01 0.989E-01 RMM: 3 -0.358625755609E+03 0.64769E-02 -0.73908E-03 5587 0.177E-01 0.176E-01 RMM: 4 -0.358625677596E+03 0.78013E-04 -0.78101E-04 4634 0.644E-02 0.178E-01 RMM: 5 -0.358625495055E+03 0.18254E-03 -0.15832E-04 3870 0.319E-02 0.910E-02 RMM: 6 -0.358625443011E+03 0.52044E-04 -0.43738E-05 3130 0.204E-02 0.337E-02 RMM: 7 -0.358625446298E+03 -0.32878E-05 -0.17393E-05 2501 0.121E-02 7809 T= 6612. E= 0.69793844E+03 F= 0.64324240E+03 E0= 0.67340997E+03 EK= 0.54696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359438956333E+03 -0.81351E+00 -0.16905E-01 7560 0.242E+01 0.196E-01 RMM: 2 -0.359449051890E+03 -0.10096E-01 -0.70602E-02 5241 0.621E-01 0.836E-01 RMM: 3 -0.359444430475E+03 0.46214E-02 -0.64137E-03 5509 0.168E-01 0.179E-01 RMM: 4 -0.359444273570E+03 0.15690E-03 -0.60370E-04 4623 0.554E-02 0.131E-01 RMM: 5 -0.359444174257E+03 0.99313E-04 -0.11096E-04 3818 0.269E-02 0.805E-02 RMM: 6 -0.359444140481E+03 0.33776E-04 -0.31628E-05 2880 0.172E-02 0.442E-02 RMM: 7 -0.359444156175E+03 -0.15694E-04 -0.35691E-05 2842 0.169E-02 7810 T= 6744. E= 0.69827237E+03 F= 0.64248294E+03 E0= 0.67264225E+03 EK= 0.55789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360316541776E+03 -0.87240E+00 -0.16857E-01 7836 0.242E+01 0.205E-01 RMM: 2 -0.360327488467E+03 -0.10947E-01 -0.73404E-02 5122 0.647E-01 0.897E-01 RMM: 3 -0.360322247407E+03 0.52411E-02 -0.71520E-03 5561 0.174E-01 0.155E-01 RMM: 4 -0.360322232075E+03 0.15332E-04 -0.70153E-04 4634 0.619E-02 0.183E-01 RMM: 5 -0.360322038404E+03 0.19367E-03 -0.15368E-04 3836 0.326E-02 0.825E-02 RMM: 6 -0.360321997861E+03 0.40543E-04 -0.35365E-05 2978 0.182E-02 0.325E-02 RMM: 7 -0.360322004010E+03 -0.61493E-05 -0.18510E-05 2502 0.127E-02 7811 T= 6749. E= 0.69749652E+03 F= 0.64166188E+03 E0= 0.67181386E+03 EK= 0.55835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361235319855E+03 -0.91332E+00 -0.16754E-01 7920 0.241E+01 0.194E-01 RMM: 2 -0.361245515877E+03 -0.10196E-01 -0.73185E-02 5113 0.642E-01 0.816E-01 RMM: 3 -0.361241093280E+03 0.44226E-02 -0.71620E-03 5484 0.177E-01 0.150E-01 RMM: 4 -0.361241022992E+03 0.70288E-04 -0.59075E-04 4650 0.543E-02 0.150E-01 RMM: 5 -0.361240893590E+03 0.12940E-03 -0.12143E-04 3867 0.294E-02 0.791E-02 RMM: 6 -0.361240857314E+03 0.36276E-04 -0.38312E-05 3009 0.186E-02 0.427E-02 RMM: 7 -0.361240868177E+03 -0.10864E-04 -0.33862E-05 2703 0.171E-02 7812 T= 6626. E= 0.69561102E+03 F= 0.64079779E+03 E0= 0.67094373E+03 EK= 0.54813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362184541822E+03 -0.94368E+00 -0.16615E-01 7992 0.237E+01 0.203E-01 RMM: 2 -0.362195871110E+03 -0.11329E-01 -0.72439E-02 5001 0.648E-01 0.921E-01 RMM: 3 -0.362190320786E+03 0.55503E-02 -0.79855E-03 5540 0.188E-01 0.185E-01 RMM: 4 -0.362190135419E+03 0.18537E-03 -0.70363E-04 4628 0.604E-02 0.132E-01 RMM: 5 -0.362190059534E+03 0.75885E-04 -0.13126E-04 3860 0.301E-02 0.932E-02 RMM: 6 -0.362190007723E+03 0.51811E-04 -0.37646E-05 3024 0.187E-02 0.375E-02 RMM: 7 -0.362190013118E+03 -0.53950E-05 -0.19821E-05 2508 0.135E-02 7813 T= 6424. E= 0.69304172E+03 F= 0.63990167E+03 E0= 0.67004351E+03 EK= 0.53140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363158365741E+03 -0.96836E+00 -0.16282E-01 8004 0.233E+01 0.202E-01 RMM: 2 -0.363169364075E+03 -0.10998E-01 -0.68395E-02 5085 0.616E-01 0.916E-01 RMM: 3 -0.363163706944E+03 0.56571E-02 -0.75192E-03 5451 0.190E-01 0.188E-01 RMM: 4 -0.363163509005E+03 0.19794E-03 -0.65657E-04 4637 0.561E-02 0.111E-01 RMM: 5 -0.363163465402E+03 0.43604E-04 -0.12093E-04 3877 0.291E-02 0.967E-02 RMM: 6 -0.363163404298E+03 0.61103E-04 -0.43843E-05 3128 0.196E-02 0.412E-02 RMM: 7 -0.363163413354E+03 -0.90557E-05 -0.27815E-05 2622 0.158E-02 7814 T= 6218. E= 0.69041552E+03 F= 0.63897948E+03 E0= 0.66911879E+03 EK= 0.51436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364147697588E+03 -0.98429E+00 -0.15958E-01 8220 0.230E+01 0.227E-01 RMM: 2 -0.364162417964E+03 -0.14720E-01 -0.65210E-02 5078 0.605E-01 0.122E+00 RMM: 3 -0.364152624731E+03 0.97932E-02 -0.75353E-03 5390 0.200E-01 0.228E-01 RMM: 4 -0.364152300789E+03 0.32394E-03 -0.81964E-04 4635 0.620E-02 0.103E-01 RMM: 5 -0.364152284339E+03 0.16451E-04 -0.14062E-04 3879 0.309E-02 7815 T= 6075. E= 0.68829507E+03 F= 0.63803961E+03 E0= 0.66817836E+03 EK= 0.50255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365134361652E+03 -0.98206E+00 -0.15751E-01 8352 0.229E+01 0.161E-01 RMM: 2 -0.365143162059E+03 -0.88004E-02 -0.64602E-02 5378 0.544E-01 0.694E-01 RMM: 3 -0.365139253092E+03 0.39090E-02 -0.48098E-03 5381 0.154E-01 0.165E-01 RMM: 4 -0.365139134208E+03 0.11888E-03 -0.46952E-04 4274 0.458E-02 0.115E-01 RMM: 5 -0.365139040894E+03 0.93314E-04 -0.88722E-05 3765 0.250E-02 0.841E-02 RMM: 6 -0.365139015334E+03 0.25561E-04 -0.63241E-05 3410 0.220E-02 0.724E-02 RMM: 7 -0.365139066146E+03 -0.50813E-04 -0.12835E-04 3884 0.255E-02 0.123E-01 RMM: 8 -0.365138974794E+03 0.91352E-04 -0.79464E-05 3721 0.235E-02 0.380E-02 RMM: 9 -0.365138967513E+03 0.72813E-05 -0.14508E-05 2492 0.116E-02 7816 T= 6035. E= 0.68702097E+03 F= 0.63709912E+03 E0= 0.66723977E+03 EK= 0.49922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366091339895E+03 -0.95237E+00 -0.15924E-01 8232 0.229E+01 0.230E-01 RMM: 2 -0.366103140632E+03 -0.11801E-01 -0.74728E-02 4931 0.631E-01 0.978E-01 RMM: 3 -0.366096845657E+03 0.62950E-02 -0.81177E-03 5659 0.189E-01 0.204E-01 RMM: 4 -0.366096677358E+03 0.16830E-03 -0.87621E-04 4628 0.678E-02 0.176E-01 RMM: 5 -0.366096514796E+03 0.16256E-03 -0.17135E-04 3878 0.338E-02 0.940E-02 RMM: 6 -0.366096459824E+03 0.54971E-04 -0.42936E-05 3114 0.205E-02 0.286E-02 RMM: 7 -0.366096462466E+03 -0.26418E-05 -0.14404E-05 2489 0.110E-02 7817 T= 6103. E= 0.68667251E+03 F= 0.63618437E+03 E0= 0.66632861E+03 EK= 0.50488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366985216609E+03 -0.88876E+00 -0.16201E-01 8124 0.231E+01 0.177E-01 RMM: 2 -0.366995406570E+03 -0.10190E-01 -0.71887E-02 5214 0.595E-01 0.792E-01 RMM: 3 -0.366990911469E+03 0.44951E-02 -0.67851E-03 5683 0.167E-01 0.186E-01 RMM: 4 -0.366990656085E+03 0.25538E-03 -0.52740E-04 4506 0.509E-02 0.930E-02 RMM: 5 -0.366990604574E+03 0.51511E-04 -0.86376E-05 3664 0.243E-02 0.782E-02 RMM: 6 -0.366990571514E+03 0.33060E-04 -0.31445E-05 2767 0.169E-02 0.490E-02 RMM: 7 -0.366990594326E+03 -0.22812E-04 -0.50827E-05 3203 0.187E-02 0.887E-02 RMM: 8 -0.366990547270E+03 0.47055E-04 -0.69866E-05 3666 0.214E-02 0.380E-02 RMM: 9 -0.366990540214E+03 0.70559E-05 -0.12913E-05 2476 0.105E-02 7818 T= 6255. E= 0.68707875E+03 F= 0.63532911E+03 E0= 0.66547974E+03 EK= 0.51750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367780991777E+03 -0.79044E+00 -0.17044E-01 8028 0.235E+01 0.194E-01 RMM: 2 -0.367793063447E+03 -0.12072E-01 -0.83561E-02 5035 0.647E-01 0.889E-01 RMM: 3 -0.367787552252E+03 0.55112E-02 -0.82795E-03 5749 0.180E-01 0.156E-01 RMM: 4 -0.367787433260E+03 0.11899E-03 -0.63740E-04 4643 0.579E-02 0.158E-01 RMM: 5 -0.367787275747E+03 0.15751E-03 -0.12315E-04 3805 0.291E-02 0.742E-02 RMM: 6 -0.367787243111E+03 0.32637E-04 -0.30609E-05 2821 0.171E-02 0.366E-02 RMM: 7 -0.367787245636E+03 -0.25246E-05 -0.19714E-05 2536 0.125E-02 7819 T= 6441. E= 0.68784907E+03 F= 0.63456707E+03 E0= 0.66472745E+03 EK= 0.53282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368454250933E+03 -0.66701E+00 -0.17538E-01 7812 0.237E+01 0.204E-01 RMM: 2 -0.368467177934E+03 -0.12927E-01 -0.78841E-02 5197 0.630E-01 0.988E-01 RMM: 3 -0.368460392803E+03 0.67851E-02 -0.77471E-03 5629 0.183E-01 0.211E-01 RMM: 4 -0.368460073158E+03 0.31965E-03 -0.66384E-04 4651 0.564E-02 0.895E-02 RMM: 5 -0.368460034310E+03 0.38848E-04 -0.87871E-05 3752 0.229E-02 0.820E-02 RMM: 6 -0.368459999103E+03 0.35208E-04 -0.26024E-05 2600 0.156E-02 0.449E-02 RMM: 7 -0.368460018864E+03 -0.19762E-04 -0.44848E-05 3104 0.178E-02 7820 T= 6593. E= 0.68846870E+03 F= 0.63392479E+03 E0= 0.66409995E+03 EK= 0.54544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368996041089E+03 -0.53604E+00 -0.17668E-01 7836 0.239E+01 0.187E-01 RMM: 2 -0.369007878193E+03 -0.11837E-01 -0.84982E-02 5129 0.645E-01 0.844E-01 RMM: 3 -0.369002761224E+03 0.51170E-02 -0.79623E-03 5772 0.175E-01 0.152E-01 RMM: 4 -0.369002635421E+03 0.12580E-03 -0.61150E-04 4644 0.566E-02 0.144E-01 RMM: 5 -0.369002519949E+03 0.11547E-03 -0.10932E-04 3727 0.273E-02 0.804E-02 RMM: 6 -0.369002482915E+03 0.37034E-04 -0.30958E-05 2857 0.172E-02 0.368E-02 RMM: 7 -0.369002489581E+03 -0.66664E-05 -0.19059E-05 2522 0.126E-02 7821 T= 6657. E= 0.68847756E+03 F= 0.63340877E+03 E0= 0.66360449E+03 EK= 0.55069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369424563561E+03 -0.42208E+00 -0.17712E-01 7932 0.238E+01 0.207E-01 RMM: 2 -0.369438243305E+03 -0.13680E-01 -0.84313E-02 5167 0.660E-01 0.102E+00 RMM: 3 -0.369431260790E+03 0.69825E-02 -0.82939E-03 5575 0.191E-01 0.224E-01 RMM: 4 -0.369430904287E+03 0.35650E-03 -0.70807E-04 4674 0.579E-02 0.867E-02 RMM: 5 -0.369430875514E+03 0.28773E-04 -0.10144E-04 3801 0.254E-02 0.876E-02 RMM: 6 -0.369430831916E+03 0.43598E-04 -0.29949E-05 2770 0.168E-02 0.439E-02 RMM: 7 -0.369430846228E+03 -0.14311E-04 -0.31928E-05 2783 0.159E-02 7822 T= 6609. E= 0.68767958E+03 F= 0.63300292E+03 E0= 0.66322568E+03 EK= 0.54677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369772666685E+03 -0.34183E+00 -0.17218E-01 7896 0.236E+01 0.200E-01 RMM: 2 -0.369784460699E+03 -0.11794E-01 -0.77476E-02 5150 0.641E-01 0.910E-01 RMM: 3 -0.369778735757E+03 0.57249E-02 -0.76098E-03 5570 0.184E-01 0.170E-01 RMM: 4 -0.369778546342E+03 0.18942E-03 -0.63948E-04 4670 0.551E-02 0.115E-01 RMM: 5 -0.369778499790E+03 0.46551E-04 -0.10617E-04 3783 0.273E-02 0.912E-02 RMM: 6 -0.369778448910E+03 0.50880E-04 -0.34802E-05 2967 0.181E-02 0.335E-02 RMM: 7 -0.369778459198E+03 -0.10288E-04 -0.20183E-05 2529 0.132E-02 7823 T= 6474. E= 0.68623495E+03 F= 0.63267388E+03 E0= 0.66292932E+03 EK= 0.53561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370076017064E+03 -0.29757E+00 -0.16961E-01 7848 0.232E+01 0.205E-01 RMM: 2 -0.370089118267E+03 -0.13101E-01 -0.73368E-02 5199 0.619E-01 0.105E+00 RMM: 3 -0.370081700987E+03 0.74173E-02 -0.69835E-03 5431 0.186E-01 0.224E-01 RMM: 4 -0.370081377269E+03 0.32372E-03 -0.68289E-04 4675 0.558E-02 0.839E-02 RMM: 5 -0.370081353169E+03 0.24100E-04 -0.10465E-04 3838 0.269E-02 0.854E-02 RMM: 6 -0.370081308760E+03 0.44409E-04 -0.33658E-05 2948 0.175E-02 0.407E-02 RMM: 7 -0.370081322180E+03 -0.13420E-04 -0.25558E-05 2557 0.146E-02 7824 T= 6307. E= 0.68456367E+03 F= 0.63238550E+03 E0= 0.66267872E+03 EK= 0.52178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370358039789E+03 -0.27673E+00 -0.16757E-01 8160 0.229E+01 0.184E-01 RMM: 2 -0.370368648266E+03 -0.10608E-01 -0.68309E-02 5178 0.592E-01 0.877E-01 RMM: 3 -0.370363317012E+03 0.53313E-02 -0.64265E-03 5479 0.173E-01 0.159E-01 RMM: 4 -0.370363176911E+03 0.14010E-03 -0.54554E-04 4667 0.495E-02 0.993E-02 RMM: 5 -0.370363138997E+03 0.37914E-04 -0.80875E-05 3623 0.236E-02 0.857E-02 RMM: 6 -0.370363095982E+03 0.43015E-04 -0.31925E-05 2884 0.175E-02 0.340E-02 RMM: 7 -0.370363108403E+03 -0.12421E-04 -0.21799E-05 2539 0.136E-02 7825 T= 6168. E= 0.68314237E+03 F= 0.63211383E+03 E0= 0.66244813E+03 EK= 0.51029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370622114001E+03 -0.25902E+00 -0.17055E-01 8268 0.227E+01 0.187E-01 RMM: 2 -0.370633776655E+03 -0.11663E-01 -0.73867E-02 5130 0.613E-01 0.929E-01 RMM: 3 -0.370627935228E+03 0.58414E-02 -0.70086E-03 5534 0.178E-01 0.185E-01 RMM: 4 -0.370627706008E+03 0.22922E-03 -0.58779E-04 4684 0.520E-02 0.924E-02 RMM: 5 -0.370627669695E+03 0.36313E-04 -0.91490E-05 3732 0.253E-02 0.829E-02 RMM: 6 -0.370627629157E+03 0.40538E-04 -0.30766E-05 2871 0.170E-02 0.391E-02 RMM: 7 -0.370627641573E+03 -0.12416E-04 -0.24307E-05 2563 0.141E-02 7826 T= 6102. E= 0.68233149E+03 F= 0.63185475E+03 E0= 0.66223187E+03 EK= 0.50477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370854034602E+03 -0.22641E+00 -0.17041E-01 8592 0.226E+01 0.174E-01 RMM: 2 -0.370864440389E+03 -0.10406E-01 -0.74366E-02 5160 0.609E-01 0.802E-01 RMM: 3 -0.370859906364E+03 0.45340E-02 -0.68995E-03 5503 0.175E-01 0.149E-01 RMM: 4 -0.370859782049E+03 0.12431E-03 -0.52582E-04 4669 0.489E-02 0.101E-01 RMM: 5 -0.370859726742E+03 0.55307E-04 -0.75476E-05 3576 0.225E-02 0.775E-02 RMM: 6 -0.370859694889E+03 0.31853E-04 -0.27843E-05 2696 0.163E-02 0.411E-02 RMM: 7 -0.370859705650E+03 -0.10761E-04 -0.31947E-05 2717 0.160E-02 7827 T= 6125. E= 0.68229169E+03 F= 0.63162329E+03 E0= 0.66204314E+03 EK= 0.50668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371028635681E+03 -0.16894E+00 -0.17393E-01 8616 0.227E+01 0.181E-01 RMM: 2 -0.371040615589E+03 -0.11980E-01 -0.81718E-02 5151 0.639E-01 0.882E-01 RMM: 3 -0.371035325389E+03 0.52902E-02 -0.80239E-03 5582 0.184E-01 0.178E-01 RMM: 4 -0.371035121249E+03 0.20414E-03 -0.61391E-04 4679 0.538E-02 0.101E-01 RMM: 5 -0.371035060838E+03 0.60411E-04 -0.96971E-05 3738 0.251E-02 0.814E-02 RMM: 6 -0.371035026858E+03 0.33980E-04 -0.29431E-05 2789 0.166E-02 0.469E-02 RMM: 7 -0.371035036978E+03 -0.10120E-04 -0.31927E-05 2649 0.158E-02 7828 T= 6228. E= 0.68296512E+03 F= 0.63144368E+03 E0= 0.66190528E+03 EK= 0.51521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371123832572E+03 -0.88806E-01 -0.18220E-01 8796 0.229E+01 0.174E-01 RMM: 2 -0.371135013052E+03 -0.11180E-01 -0.86054E-02 5203 0.651E-01 0.769E-01 RMM: 3 -0.371130895519E+03 0.41175E-02 -0.79130E-03 5657 0.181E-01 0.153E-01 RMM: 4 -0.371130751741E+03 0.14378E-03 -0.54731E-04 4694 0.494E-02 0.106E-01 RMM: 5 -0.371130679028E+03 0.72713E-04 -0.82592E-05 3624 0.240E-02 0.754E-02 RMM: 6 -0.371130653501E+03 0.25527E-04 -0.29865E-05 2697 0.162E-02 0.522E-02 RMM: 7 -0.371130652177E+03 0.13241E-05 -0.53310E-05 3146 0.195E-02 7829 T= 6377. E= 0.68409182E+03 F= 0.63133901E+03 E0= 0.66183990E+03 EK= 0.52753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371128887643E+03 0.17659E-02 -0.19209E-01 8832 0.231E+01 0.165E-01 RMM: 2 -0.371140589281E+03 -0.11702E-01 -0.90386E-02 5235 0.657E-01 0.772E-01 RMM: 3 -0.371136312534E+03 0.42767E-02 -0.72340E-03 5827 0.168E-01 0.158E-01 RMM: 4 -0.371136123698E+03 0.18884E-03 -0.50617E-04 4601 0.510E-02 0.107E-01 RMM: 5 -0.371136045311E+03 0.78386E-04 -0.89135E-05 3645 0.248E-02 0.751E-02 RMM: 6 -0.371136022057E+03 0.23254E-04 -0.27351E-05 2669 0.158E-02 0.529E-02 RMM: 7 -0.371136027908E+03 -0.58510E-05 -0.41724E-05 2836 0.172E-02 7830 T= 6521. E= 0.68526775E+03 F= 0.63132002E+03 E0= 0.66185725E+03 EK= 0.53948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371053392277E+03 0.82630E-01 -0.20269E-01 8856 0.233E+01 0.162E-01 RMM: 2 -0.371064543248E+03 -0.11151E-01 -0.94305E-02 5201 0.670E-01 0.669E-01 RMM: 3 -0.371061067999E+03 0.34752E-02 -0.77872E-03 5965 0.175E-01 0.121E-01 RMM: 4 -0.371060948956E+03 0.11904E-03 -0.44773E-04 4616 0.459E-02 0.107E-01 RMM: 5 -0.371060869062E+03 0.79894E-04 -0.67399E-05 3448 0.223E-02 0.695E-02 RMM: 6 -0.371060852268E+03 0.16794E-04 -0.27710E-05 2588 0.156E-02 7831 T= 6611. E= 0.68606767E+03 F= 0.63137715E+03 E0= 0.66194631E+03 EK= 0.54691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370929816295E+03 0.13105E+00 -0.20382E-01 8724 0.234E+01 0.257E-01 RMM: 2 -0.370951337541E+03 -0.21521E-01 -0.98057E-02 5134 0.703E-01 0.144E+00 RMM: 3 -0.370937614145E+03 0.13723E-01 -0.10578E-02 5390 0.233E-01 0.262E-01 RMM: 4 -0.370937147180E+03 0.46697E-03 -0.10602E-03 4699 0.669E-02 0.941E-02 RMM: 5 -0.370937114720E+03 0.32460E-04 -0.13804E-04 3875 0.303E-02 0.937E-02 RMM: 6 -0.370937061281E+03 0.53439E-04 -0.40787E-05 2998 0.185E-02 0.549E-02 RMM: 7 -0.370937089766E+03 -0.28485E-04 -0.50715E-05 3231 0.194E-02 0.946E-02 RMM: 8 -0.370937041665E+03 0.48101E-04 -0.84489E-05 3850 0.214E-02 0.564E-02 RMM: 9 -0.370937023018E+03 0.18647E-04 -0.18930E-05 2548 0.122E-02 7832 T= 6616. E= 0.68620881E+03 F= 0.63147857E+03 E0= 0.66207577E+03 EK= 0.54730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370805642577E+03 0.13140E+00 -0.19935E-01 8508 0.233E+01 0.275E-01 RMM: 2 -0.370829776987E+03 -0.24134E-01 -0.96366E-02 5064 0.703E-01 0.160E+00 RMM: 3 -0.370813010316E+03 0.16767E-01 -0.10671E-02 5373 0.239E-01 0.269E-01 RMM: 4 -0.370812578638E+03 0.43168E-03 -0.12907E-03 4696 0.776E-02 0.134E-01 RMM: 5 -0.370812564175E+03 0.14462E-04 -0.19870E-04 3883 0.357E-02 7833 T= 6539. E= 0.68567389E+03 F= 0.63157618E+03 E0= 0.66219572E+03 EK= 0.54098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370729754808E+03 0.82824E-01 -0.19157E-01 8424 0.232E+01 0.204E-01 RMM: 2 -0.370744676889E+03 -0.14922E-01 -0.10150E-01 5188 0.713E-01 0.969E-01 RMM: 3 -0.370738064860E+03 0.66120E-02 -0.94471E-03 5503 0.204E-01 0.213E-01 RMM: 4 -0.370737760807E+03 0.30405E-03 -0.71265E-04 4781 0.561E-02 0.100E-01 RMM: 5 -0.370737697610E+03 0.63197E-04 -0.14054E-04 3908 0.306E-02 0.100E-01 RMM: 6 -0.370737667005E+03 0.30605E-04 -0.78341E-05 3556 0.228E-02 0.855E-02 RMM: 7 -0.370737731712E+03 -0.64707E-04 -0.13770E-04 3895 0.269E-02 0.134E-01 RMM: 8 -0.370737616371E+03 0.11534E-03 -0.77203E-05 3597 0.246E-02 0.345E-02 RMM: 9 -0.370737611256E+03 0.51150E-05 -0.12272E-05 2477 0.105E-02 7834 T= 6416. E= 0.68469983E+03 F= 0.63161963E+03 E0= 0.66225608E+03 EK= 0.53080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370744316164E+03 -0.66998E-02 -0.17482E-01 8184 0.231E+01 0.219E-01 RMM: 2 -0.370756811790E+03 -0.12496E-01 -0.85304E-02 4849 0.678E-01 0.938E-01 RMM: 3 -0.370750960324E+03 0.58515E-02 -0.87464E-03 5679 0.196E-01 0.180E-01 RMM: 4 -0.370750916452E+03 0.43872E-04 -0.85854E-04 4641 0.689E-02 0.201E-01 RMM: 5 -0.370750702229E+03 0.21422E-03 -0.18393E-04 3884 0.347E-02 0.102E-01 RMM: 6 -0.370750639011E+03 0.63218E-04 -0.49539E-05 3209 0.214E-02 0.284E-02 RMM: 7 -0.370750646451E+03 -0.74396E-05 -0.16682E-05 2507 0.122E-02 7835 T= 6295. E= 0.68364993E+03 F= 0.63157028E+03 E0= 0.66221743E+03 EK= 0.52080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370858935829E+03 -0.10830E+00 -0.16121E-01 8100 0.230E+01 0.144E-01 RMM: 2 -0.370867895747E+03 -0.89599E-02 -0.76037E-02 5084 0.623E-01 0.593E-01 RMM: 3 -0.370865229349E+03 0.26664E-02 -0.69237E-03 5682 0.165E-01 0.129E-01 RMM: 4 -0.370865120186E+03 0.10916E-03 -0.41856E-04 4435 0.463E-02 0.104E-01 RMM: 5 -0.370865043764E+03 0.76422E-04 -0.69605E-05 3450 0.230E-02 0.634E-02 RMM: 6 -0.370865035342E+03 0.84215E-05 -0.32128E-05 2741 0.168E-02 7836 T= 6219. E= 0.68286072E+03 F= 0.63141463E+03 E0= 0.66206575E+03 EK= 0.51446E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371060585667E+03 -0.19554E+00 -0.15224E-01 7920 0.230E+01 0.317E-01 RMM: 2 -0.371086583702E+03 -0.25998E-01 -0.74262E-02 5015 0.664E-01 0.181E+00 RMM: 3 -0.371065764709E+03 0.20819E-01 -0.12054E-02 5338 0.268E-01 0.292E-01 RMM: 4 -0.371065205655E+03 0.55905E-03 -0.12991E-03 4684 0.713E-02 0.972E-02 RMM: 5 -0.371065204047E+03 0.16082E-05 -0.16591E-04 3887 0.327E-02 7837 T= 6209. E= 0.68253234E+03 F= 0.63116829E+03 E0= 0.66181631E+03 EK= 0.51364E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371303928336E+03 -0.23872E+00 -0.14967E-01 7836 0.232E+01 0.265E-01 RMM: 2 -0.371326468344E+03 -0.22540E-01 -0.69211E-02 5049 0.617E-01 0.161E+00 RMM: 3 -0.371309496674E+03 0.16972E-01 -0.98616E-03 5337 0.235E-01 0.309E-01 RMM: 4 -0.371308869904E+03 0.62677E-03 -0.11369E-03 4676 0.692E-02 0.991E-02 RMM: 5 -0.371308829248E+03 0.40655E-04 -0.15911E-04 3886 0.335E-02 0.986E-02 RMM: 6 -0.371308773285E+03 0.55963E-04 -0.65727E-05 3406 0.226E-02 0.572E-02 RMM: 7 -0.371308833717E+03 -0.60432E-04 -0.68427E-05 3594 0.207E-02 0.120E-01 RMM: 8 -0.371308739603E+03 0.94114E-04 -0.52407E-05 3286 0.213E-02 0.328E-02 RMM: 9 -0.371308738605E+03 0.99820E-06 -0.17284E-05 2489 0.122E-02 7838 T= 6263. E= 0.68268787E+03 F= 0.63087381E+03 E0= 0.66151343E+03 EK= 0.51814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371531975378E+03 -0.22324E+00 -0.15292E-01 7812 0.235E+01 0.258E-01 RMM: 2 -0.371547831344E+03 -0.15856E-01 -0.73215E-02 4881 0.673E-01 0.128E+00 RMM: 3 -0.371537455918E+03 0.10375E-01 -0.91160E-03 5354 0.219E-01 0.236E-01 RMM: 4 -0.371537230202E+03 0.22572E-03 -0.10012E-03 4632 0.680E-02 0.154E-01 RMM: 5 -0.371537098006E+03 0.13220E-03 -0.20340E-04 3896 0.382E-02 0.949E-02 RMM: 6 -0.371537053483E+03 0.44523E-04 -0.73189E-05 3480 0.246E-02 0.497E-02 RMM: 7 -0.371537068960E+03 -0.15478E-04 -0.32604E-05 2835 0.178E-02 7839 T= 6358. E= 0.68318471E+03 F= 0.63059000E+03 E0= 0.66121456E+03 EK= 0.52595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371684424283E+03 -0.14737E+00 -0.14877E-01 7764 0.237E+01 0.174E-01 RMM: 2 -0.371693006672E+03 -0.85824E-02 -0.58981E-02 5272 0.588E-01 0.798E-01 RMM: 3 -0.371688997485E+03 0.40092E-02 -0.52955E-03 5466 0.154E-01 0.152E-01 RMM: 4 -0.371688845242E+03 0.15224E-03 -0.43053E-04 4473 0.463E-02 0.944E-02 RMM: 5 -0.371688785252E+03 0.59989E-04 -0.81928E-05 3722 0.246E-02 0.761E-02 RMM: 6 -0.371688766291E+03 0.18961E-04 -0.41242E-05 3030 0.189E-02 7840 T= 6454. E= 0.68376700E+03 F= 0.63037845E+03 E0= 0.66098275E+03 EK= 0.53389E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371709785163E+03 -0.21000E-01 -0.14895E-01 7584 0.239E+01 0.327E-01 RMM: 2 -0.371734506403E+03 -0.24721E-01 -0.67524E-02 5205 0.647E-01 0.178E+00 RMM: 3 -0.371714342193E+03 0.20164E-01 -0.11602E-02 5336 0.266E-01 0.335E-01 RMM: 4 -0.371713614571E+03 0.72762E-03 -0.12403E-03 4626 0.709E-02 0.104E-01 RMM: 5 -0.371713586213E+03 0.28357E-04 -0.18848E-04 3887 0.359E-02 0.115E-01 RMM: 6 -0.371713500942E+03 0.85271E-04 -0.77065E-05 3614 0.250E-02 0.625E-02 RMM: 7 -0.371713533838E+03 -0.32896E-04 -0.71273E-05 3568 0.236E-02 0.100E-01 RMM: 8 -0.371713468764E+03 0.65074E-04 -0.39756E-05 2969 0.179E-02 0.471E-02 RMM: 9 -0.371713458057E+03 0.10707E-04 -0.19531E-05 2512 0.130E-02 7841 T= 6512. E= 0.68415928E+03 F= 0.63028955E+03 E0= 0.66087112E+03 EK= 0.53870E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371580222745E+03 0.13325E+00 -0.14640E-01 7380 0.239E+01 0.312E-01 RMM: 2 -0.371607167499E+03 -0.26945E-01 -0.66628E-02 5235 0.634E-01 0.187E+00 RMM: 3 -0.371584625810E+03 0.22542E-01 -0.10559E-02 5343 0.251E-01 0.268E-01 RMM: 4 -0.371584223133E+03 0.40268E-03 -0.13296E-03 4630 0.780E-02 0.157E-01 RMM: 5 -0.371584203728E+03 0.19405E-04 -0.22084E-04 3900 0.383E-02 0.161E-01 RMM: 6 -0.371584035771E+03 0.16796E-03 -0.10067E-04 3754 0.298E-02 0.336E-02 RMM: 7 -0.371584047919E+03 -0.12149E-04 -0.31195E-05 2852 0.164E-02 7842 T= 6508. E= 0.68418804E+03 F= 0.63035029E+03 E0= 0.66090791E+03 EK= 0.53838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371295852744E+03 0.28818E+00 -0.14829E-01 7572 0.238E+01 0.210E-01 RMM: 2 -0.371308907591E+03 -0.13055E-01 -0.63348E-02 5103 0.601E-01 0.111E+00 RMM: 3 -0.371300771376E+03 0.81362E-02 -0.69580E-03 5353 0.188E-01 0.210E-01 RMM: 4 -0.371300504327E+03 0.26705E-03 -0.67978E-04 4621 0.554E-02 0.924E-02 RMM: 5 -0.371300469220E+03 0.35107E-04 -0.12951E-04 3879 0.311E-02 0.983E-02 RMM: 6 -0.371300412095E+03 0.57125E-04 -0.49642E-05 3223 0.199E-02 0.560E-02 RMM: 7 -0.371300452833E+03 -0.40737E-04 -0.78793E-05 3705 0.237E-02 0.104E-01 RMM: 8 -0.371300382598E+03 0.70235E-04 -0.39416E-05 3051 0.186E-02 0.321E-02 RMM: 9 -0.371300378952E+03 0.36459E-05 -0.12630E-05 2469 0.972E-03 7843 T= 6443. E= 0.68386416E+03 F= 0.63056060E+03 E0= 0.66109604E+03 EK= 0.53304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370883483645E+03 0.41690E+00 -0.14775E-01 7572 0.236E+01 0.196E-01 RMM: 2 -0.370892538220E+03 -0.90546E-02 -0.56212E-02 4962 0.589E-01 0.881E-01 RMM: 3 -0.370887630216E+03 0.49080E-02 -0.62253E-03 5465 0.171E-01 0.118E-01 RMM: 4 -0.370887708624E+03 -0.78409E-04 -0.55886E-04 4619 0.547E-02 0.179E-01 RMM: 5 -0.370887506682E+03 0.20194E-03 -0.11683E-04 3787 0.286E-02 0.670E-02 RMM: 6 -0.370887485563E+03 0.21119E-04 -0.31300E-05 2848 0.170E-02 0.427E-02 RMM: 7 -0.370887492938E+03 -0.73750E-05 -0.25104E-05 2561 0.148E-02 7844 T= 6344. E= 0.68337777E+03 F= 0.63089521E+03 E0= 0.66141183E+03 EK= 0.52483E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370380943145E+03 0.50654E+00 -0.14874E-01 7728 0.234E+01 0.164E-01 RMM: 2 -0.370388609158E+03 -0.76660E-02 -0.59412E-02 4959 0.583E-01 0.653E-01 RMM: 3 -0.370385767448E+03 0.28417E-02 -0.61235E-03 5500 0.160E-01 0.153E-01 RMM: 4 -0.370385670864E+03 0.96583E-04 -0.47037E-04 4529 0.508E-02 0.128E-01 RMM: 5 -0.370385562169E+03 0.10870E-03 -0.11069E-04 3840 0.288E-02 0.707E-02 RMM: 6 -0.370385545612E+03 0.16557E-04 -0.42803E-05 3103 0.189E-02 7845 T= 6249. E= 0.68301141E+03 F= 0.63131389E+03 E0= 0.66181648E+03 EK= 0.51698E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369833699099E+03 0.55186E+00 -0.14966E-01 7620 0.232E+01 0.271E-01 RMM: 2 -0.369852824562E+03 -0.19125E-01 -0.64820E-02 4888 0.624E-01 0.148E+00 RMM: 3 -0.369838558251E+03 0.14266E-01 -0.98508E-03 5340 0.236E-01 0.271E-01 RMM: 4 -0.369838102153E+03 0.45610E-03 -0.11121E-03 4652 0.704E-02 0.102E-01 RMM: 5 -0.369838115231E+03 -0.13077E-04 -0.16736E-04 3881 0.321E-02 7846 T= 6195. E= 0.68302249E+03 F= 0.63177321E+03 E0= 0.66226681E+03 EK= 0.51249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369278699619E+03 0.55940E+00 -0.15219E-01 7692 0.231E+01 0.279E-01 RMM: 2 -0.369301025265E+03 -0.22326E-01 -0.63781E-02 4969 0.604E-01 0.164E+00 RMM: 3 -0.369283631997E+03 0.17393E-01 -0.10092E-02 5339 0.240E-01 0.293E-01 RMM: 4 -0.369283078974E+03 0.55302E-03 -0.11918E-03 4665 0.728E-02 0.115E-01 RMM: 5 -0.369283055363E+03 0.23611E-04 -0.18485E-04 3887 0.352E-02 0.125E-01 RMM: 6 -0.369282966992E+03 0.88371E-04 -0.72949E-05 3522 0.245E-02 0.599E-02 RMM: 7 -0.369283000136E+03 -0.33143E-04 -0.65806E-05 3433 0.214E-02 0.989E-02 RMM: 8 -0.369282939221E+03 0.60915E-04 -0.56286E-05 3407 0.218E-02 0.382E-02 RMM: 9 -0.369282931562E+03 0.76588E-05 -0.12315E-05 2470 0.104E-02 7847 T= 6203. E= 0.68355269E+03 F= 0.63223584E+03 E0= 0.66272591E+03 EK= 0.51317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368745164746E+03 0.53777E+00 -0.15277E-01 7668 0.232E+01 0.222E-01 RMM: 2 -0.368757864340E+03 -0.12700E-01 -0.67694E-02 4719 0.634E-01 0.107E+00 RMM: 3 -0.368750415469E+03 0.74489E-02 -0.82864E-03 5375 0.203E-01 0.212E-01 RMM: 4 -0.368750255728E+03 0.15974E-03 -0.89898E-04 4623 0.664E-02 0.156E-01 RMM: 5 -0.368750119991E+03 0.13574E-03 -0.17064E-04 3876 0.352E-02 0.848E-02 RMM: 6 -0.368750080530E+03 0.39460E-04 -0.44136E-05 3100 0.199E-02 0.368E-02 RMM: 7 -0.368750095609E+03 -0.15078E-04 -0.25376E-05 2546 0.157E-02 7848 T= 6275. E= 0.68458394E+03 F= 0.63267225E+03 E0= 0.66316271E+03 EK= 0.51912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368254129844E+03 0.49595E+00 -0.15292E-01 7680 0.233E+01 0.175E-01 RMM: 2 -0.368263118622E+03 -0.89888E-02 -0.64224E-02 4943 0.601E-01 0.750E-01 RMM: 3 -0.368259396715E+03 0.37219E-02 -0.68925E-03 5499 0.168E-01 0.167E-01 RMM: 4 -0.368259234723E+03 0.16199E-03 -0.53237E-04 4611 0.535E-02 0.115E-01 RMM: 5 -0.368259160861E+03 0.73862E-04 -0.12688E-04 3877 0.301E-02 0.878E-02 RMM: 6 -0.368259128442E+03 0.32419E-04 -0.56005E-05 3292 0.215E-02 0.602E-02 RMM: 7 -0.368259162049E+03 -0.33607E-04 -0.54503E-05 3326 0.202E-02 0.100E-01 RMM: 8 -0.368259096392E+03 0.65657E-04 -0.35494E-05 2960 0.185E-02 0.222E-02 RMM: 9 -0.368259096396E+03 -0.37817E-08 -0.10153E-05 2449 0.878E-03 7849 T= 6391. E= 0.68593287E+03 F= 0.63306347E+03 E0= 0.66355763E+03 EK= 0.52869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367816695977E+03 0.44240E+00 -0.16290E-01 7620 0.235E+01 0.167E-01 RMM: 2 -0.367826138814E+03 -0.94428E-02 -0.75020E-02 4803 0.646E-01 0.687E-01 RMM: 3 -0.367822884843E+03 0.32540E-02 -0.80512E-03 5613 0.175E-01 0.131E-01 RMM: 4 -0.367822823479E+03 0.61364E-04 -0.52813E-04 4587 0.552E-02 0.146E-01 RMM: 5 -0.367822691259E+03 0.13222E-03 -0.12327E-04 3832 0.308E-02 0.750E-02 RMM: 6 -0.367822668829E+03 0.22431E-04 -0.50743E-05 3221 0.203E-02 0.532E-02 RMM: 7 -0.367822680566E+03 -0.11737E-04 -0.30598E-05 2665 0.171E-02 7850 T= 6514. E= 0.68728177E+03 F= 0.63339710E+03 E0= 0.66389742E+03 EK= 0.53885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367445354149E+03 0.37731E+00 -0.16358E-01 7716 0.237E+01 0.178E-01 RMM: 2 -0.367454417120E+03 -0.90630E-02 -0.65621E-02 4950 0.623E-01 0.751E-01 RMM: 3 -0.367450690927E+03 0.37262E-02 -0.71105E-03 5595 0.170E-01 0.166E-01 RMM: 4 -0.367450547557E+03 0.14337E-03 -0.53066E-04 4593 0.548E-02 0.127E-01 RMM: 5 -0.367450433979E+03 0.11358E-03 -0.12867E-04 3878 0.303E-02 0.739E-02 RMM: 6 -0.367450436304E+03 -0.23246E-05 -0.58983E-05 3347 0.216E-02 7851 T= 6601. E= 0.68826940E+03 F= 0.63366353E+03 E0= 0.66417173E+03 EK= 0.54606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367146151212E+03 0.30428E+00 -0.16379E-01 7788 0.237E+01 0.288E-01 RMM: 2 -0.367168855008E+03 -0.22704E-01 -0.76201E-02 4905 0.663E-01 0.162E+00 RMM: 3 -0.367152019809E+03 0.16835E-01 -0.11551E-02 5342 0.254E-01 0.290E-01 RMM: 4 -0.367151517490E+03 0.50232E-03 -0.12322E-03 4659 0.702E-02 0.109E-01 RMM: 5 -0.367151505155E+03 0.12336E-04 -0.21068E-04 3905 0.392E-02 0.125E-01 RMM: 6 -0.367151414221E+03 0.90934E-04 -0.85791E-05 3649 0.261E-02 0.561E-02 RMM: 7 -0.367151451318E+03 -0.37097E-04 -0.57124E-05 3322 0.216E-02 0.954E-02 RMM: 8 -0.367151395752E+03 0.55565E-04 -0.29342E-05 2802 0.174E-02 0.408E-02 RMM: 9 -0.367151386724E+03 0.90287E-05 -0.11309E-05 2469 0.100E-02 7852 T= 6620. E= 0.68862179E+03 F= 0.63385341E+03 E0= 0.66437120E+03 EK= 0.54768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366927720394E+03 0.22368E+00 -0.16438E-01 7680 0.237E+01 0.308E-01 RMM: 2 -0.366952261883E+03 -0.24541E-01 -0.69152E-02 4979 0.648E-01 0.173E+00 RMM: 3 -0.366932756120E+03 0.19506E-01 -0.11282E-02 5346 0.259E-01 0.336E-01 RMM: 4 -0.366932014682E+03 0.74144E-03 -0.14285E-03 4712 0.806E-02 0.107E-01 RMM: 5 -0.366932062170E+03 -0.47488E-04 -0.22287E-04 3878 0.392E-02 0.153E-01 RMM: 6 -0.366931913431E+03 0.14874E-03 -0.78327E-05 3571 0.258E-02 0.387E-02 RMM: 7 -0.366931936154E+03 -0.22723E-04 -0.39080E-05 3025 0.176E-02 0.762E-02 RMM: 8 -0.366931901366E+03 0.34788E-04 -0.29566E-05 2605 0.180E-02 0.251E-02 RMM: 9 -0.366931898018E+03 0.33482E-05 -0.66350E-06 2440 0.768E-03 7853 T= 6565. E= 0.68827332E+03 F= 0.63395974E+03 E0= 0.66448778E+03 EK= 0.54314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366786009524E+03 0.14589E+00 -0.16946E-01 7848 0.235E+01 0.203E-01 RMM: 2 -0.366798525358E+03 -0.12516E-01 -0.75480E-02 4910 0.654E-01 0.984E-01 RMM: 3 -0.366792130625E+03 0.63947E-02 -0.83390E-03 5423 0.194E-01 0.190E-01 RMM: 4 -0.366791961428E+03 0.16920E-03 -0.74424E-04 4638 0.603E-02 0.130E-01 RMM: 5 -0.366791873779E+03 0.87648E-04 -0.15544E-04 3885 0.331E-02 0.966E-02 RMM: 6 -0.366791826845E+03 0.46935E-04 -0.53838E-05 3276 0.207E-02 0.548E-02 RMM: 7 -0.366791855299E+03 -0.28454E-04 -0.53939E-05 3317 0.211E-02 0.899E-02 RMM: 8 -0.366791802219E+03 0.53080E-04 -0.28644E-05 2868 0.172E-02 0.223E-02 RMM: 9 -0.366791801177E+03 0.10421E-05 -0.75352E-06 2443 0.757E-03 7854 T= 6457. E= 0.68739636E+03 F= 0.63398206E+03 E0= 0.66452058E+03 EK= 0.53414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366717205095E+03 0.74597E-01 -0.16542E-01 7680 0.233E+01 0.196E-01 RMM: 2 -0.366726588934E+03 -0.93838E-02 -0.58267E-02 5099 0.583E-01 0.870E-01 RMM: 3 -0.366721572547E+03 0.50164E-02 -0.59527E-03 5470 0.163E-01 0.151E-01 RMM: 4 -0.366721514936E+03 0.57612E-04 -0.59070E-04 4613 0.560E-02 0.146E-01 RMM: 5 -0.366721405538E+03 0.10940E-03 -0.13790E-04 3874 0.307E-02 0.967E-02 RMM: 6 -0.366721355303E+03 0.50236E-04 -0.55363E-05 3289 0.216E-02 0.466E-02 RMM: 7 -0.366721384279E+03 -0.28976E-04 -0.35011E-05 2917 0.171E-02 0.860E-02 RMM: 8 -0.366721337065E+03 0.47214E-04 -0.23300E-05 2578 0.158E-02 0.205E-02 RMM: 9 -0.366721335674E+03 0.13910E-05 -0.56844E-06 2438 0.668E-03 7855 T= 6333. E= 0.68631989E+03 F= 0.63392961E+03 E0= 0.66447793E+03 EK= 0.52390E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366693839333E+03 0.27498E-01 -0.16840E-01 7776 0.232E+01 0.168E-01 RMM: 2 -0.366701967045E+03 -0.81277E-02 -0.66913E-02 4988 0.604E-01 0.634E-01 RMM: 3 -0.366699254426E+03 0.27126E-02 -0.65708E-03 5613 0.156E-01 0.148E-01 RMM: 4 -0.366699187408E+03 0.67017E-04 -0.53238E-04 4561 0.560E-02 0.153E-01 RMM: 5 -0.366699041533E+03 0.14587E-03 -0.14261E-04 3878 0.314E-02 0.777E-02 RMM: 6 -0.366699025288E+03 0.16246E-04 -0.51660E-05 3249 0.204E-02 7856 T= 6234. E= 0.68539682E+03 F= 0.63382373E+03 E0= 0.66438064E+03 EK= 0.51573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366686581976E+03 0.12460E-01 -0.16559E-01 7836 0.231E+01 0.285E-01 RMM: 2 -0.366704596899E+03 -0.18015E-01 -0.63412E-02 5107 0.598E-01 0.144E+00 RMM: 3 -0.366691196325E+03 0.13401E-01 -0.95950E-03 5343 0.231E-01 0.283E-01 RMM: 4 -0.366690733767E+03 0.46256E-03 -0.11039E-03 4625 0.685E-02 0.120E-01 RMM: 5 -0.366690735698E+03 -0.19314E-05 -0.22327E-04 3892 0.376E-02 0.147E-01 RMM: 6 -0.366690611399E+03 0.12430E-03 -0.11583E-04 3856 0.302E-02 0.636E-02 RMM: 7 -0.366690650387E+03 -0.38987E-04 -0.68818E-05 3474 0.229E-02 0.103E-01 RMM: 8 -0.366690589631E+03 0.60756E-04 -0.31495E-05 2941 0.183E-02 0.469E-02 RMM: 9 -0.366690576680E+03 0.12951E-04 -0.10971E-05 2479 0.997E-03 7857 T= 6188. E= 0.68489147E+03 F= 0.63369894E+03 E0= 0.66426091E+03 EK= 0.51193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366648544262E+03 0.42045E-01 -0.16516E-01 7860 0.231E+01 0.275E-01 RMM: 2 -0.366666574595E+03 -0.18030E-01 -0.57165E-02 5093 0.577E-01 0.147E+00 RMM: 3 -0.366652637910E+03 0.13937E-01 -0.84174E-03 5354 0.220E-01 0.311E-01 RMM: 4 -0.366652013564E+03 0.62435E-03 -0.11596E-03 4613 0.738E-02 0.109E-01 RMM: 5 -0.366652039575E+03 -0.26011E-04 -0.21682E-04 3881 0.398E-02 0.142E-01 RMM: 6 -0.366651912848E+03 0.12673E-03 -0.77893E-05 3574 0.257E-02 0.444E-02 RMM: 7 -0.366651940808E+03 -0.27960E-04 -0.47874E-05 3190 0.189E-02 0.842E-02 RMM: 8 -0.366651898917E+03 0.41891E-04 -0.28772E-05 2768 0.180E-02 0.283E-02 RMM: 9 -0.366651894224E+03 0.46925E-05 -0.60734E-06 2441 0.728E-03 7858 T= 6204. E= 0.68492156E+03 F= 0.63359991E+03 E0= 0.66416357E+03 EK= 0.51322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366529234588E+03 0.12266E+00 -0.17213E-01 7968 0.232E+01 0.211E-01 RMM: 2 -0.366542210611E+03 -0.12976E-01 -0.72952E-02 4928 0.630E-01 0.104E+00 RMM: 3 -0.366535002477E+03 0.72081E-02 -0.81389E-03 5438 0.191E-01 0.184E-01 RMM: 4 -0.366534838492E+03 0.16399E-03 -0.76840E-04 4635 0.595E-02 0.133E-01 RMM: 5 -0.366534769365E+03 0.69127E-04 -0.18401E-04 3881 0.364E-02 0.113E-01 RMM: 6 -0.366534701681E+03 0.67684E-04 -0.76401E-05 3575 0.241E-02 0.588E-02 RMM: 7 -0.366534719110E+03 -0.17429E-04 -0.45340E-05 3114 0.199E-02 7859 T= 6270. E= 0.68544785E+03 F= 0.63357565E+03 E0= 0.66413615E+03 EK= 0.51872E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366290381017E+03 0.24432E+00 -0.17144E-01 8268 0.234E+01 0.187E-01 RMM: 2 -0.366297532400E+03 -0.71514E-02 -0.51893E-02 5245 0.538E-01 0.718E-01 RMM: 3 -0.366294195974E+03 0.33364E-02 -0.47157E-03 5555 0.142E-01 0.155E-01 RMM: 4 -0.366294127309E+03 0.68665E-04 -0.50246E-04 4544 0.519E-02 0.157E-01 RMM: 5 -0.366293992240E+03 0.13507E-03 -0.18438E-04 3880 0.371E-02 0.985E-02 RMM: 6 -0.366293968944E+03 0.23295E-04 -0.92147E-05 3684 0.264E-02 0.830E-02 RMM: 7 -0.366293985284E+03 -0.16340E-04 -0.49228E-05 3214 0.202E-02 7860 T= 6361. E= 0.68629654E+03 F= 0.63367189E+03 E0= 0.66422501E+03 EK= 0.52625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365892098262E+03 0.40187E+00 -0.17413E-01 7968 0.235E+01 0.193E-01 RMM: 2 -0.365901581538E+03 -0.94833E-02 -0.67994E-02 5034 0.610E-01 0.794E-01 RMM: 3 -0.365897416865E+03 0.41647E-02 -0.70310E-03 5614 0.168E-01 0.160E-01 RMM: 4 -0.365897275812E+03 0.14105E-03 -0.59440E-04 4596 0.563E-02 0.141E-01 RMM: 5 -0.365897164917E+03 0.11090E-03 -0.17763E-04 3879 0.361E-02 0.947E-02 RMM: 6 -0.365897139720E+03 0.25197E-04 -0.81879E-05 3582 0.250E-02 0.773E-02 RMM: 7 -0.365897157424E+03 -0.17703E-04 -0.48734E-05 3185 0.201E-02 7861 T= 6442. E= 0.68721825E+03 F= 0.63392158E+03 E0= 0.66446211E+03 EK= 0.53297E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365328195528E+03 0.56894E+00 -0.17294E-01 8124 0.236E+01 0.185E-01 RMM: 2 -0.365335907414E+03 -0.77119E-02 -0.58091E-02 5239 0.556E-01 0.710E-01 RMM: 3 -0.365332543822E+03 0.33636E-02 -0.50361E-03 5552 0.145E-01 0.158E-01 RMM: 4 -0.365332486728E+03 0.57094E-04 -0.55197E-04 4599 0.550E-02 0.163E-01 RMM: 5 -0.365332337319E+03 0.14941E-03 -0.17721E-04 3880 0.353E-02 0.957E-02 RMM: 6 -0.365332308257E+03 0.29062E-04 -0.89140E-05 3676 0.263E-02 0.727E-02 RMM: 7 -0.365332326853E+03 -0.18596E-04 -0.43110E-05 3123 0.187E-02 7862 T= 6484. E= 0.68797736E+03 F= 0.63433671E+03 E0= 0.66486034E+03 EK= 0.53641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364611714573E+03 0.72059E+00 -0.17522E-01 8040 0.236E+01 0.196E-01 RMM: 2 -0.364619630075E+03 -0.79155E-02 -0.62008E-02 5157 0.575E-01 0.699E-01 RMM: 3 -0.364616355911E+03 0.32742E-02 -0.58774E-03 5697 0.154E-01 0.147E-01 RMM: 4 -0.364616348942E+03 0.69687E-05 -0.59342E-04 4604 0.576E-02 0.188E-01 RMM: 5 -0.364616143260E+03 0.20568E-03 -0.19464E-04 3885 0.369E-02 0.975E-02 RMM: 6 -0.364616111310E+03 0.31949E-04 -0.84632E-05 3586 0.257E-02 0.737E-02 RMM: 7 -0.364616130749E+03 -0.19439E-04 -0.46821E-05 3168 0.194E-02 7863 T= 6472. E= 0.68844433E+03 F= 0.63490049E+03 E0= 0.66540374E+03 EK= 0.53544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363784527605E+03 0.83158E+00 -0.17843E-01 8268 0.235E+01 0.205E-01 RMM: 2 -0.363793729195E+03 -0.92016E-02 -0.70183E-02 5078 0.604E-01 0.752E-01 RMM: 3 -0.363789852352E+03 0.38768E-02 -0.66021E-03 5589 0.166E-01 0.163E-01 RMM: 4 -0.363789862411E+03 -0.10059E-04 -0.68864E-04 4619 0.614E-02 0.201E-01 RMM: 5 -0.363789641099E+03 0.22131E-03 -0.20053E-04 3881 0.366E-02 0.107E-01 RMM: 6 -0.363789584732E+03 0.56367E-04 -0.93215E-05 3694 0.272E-02 0.612E-02 RMM: 7 -0.363789618256E+03 -0.33524E-04 -0.45962E-05 3151 0.191E-02 0.996E-02 RMM: 8 -0.363789554611E+03 0.63645E-04 -0.29519E-05 2799 0.176E-02 0.250E-02 RMM: 9 -0.363789552965E+03 0.16462E-05 -0.84043E-06 2451 0.807E-03 7864 T= 6416. E= 0.68864902E+03 F= 0.63557166E+03 E0= 0.66605092E+03 EK= 0.53077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362908204154E+03 0.88135E+00 -0.17486E-01 8004 0.233E+01 0.197E-01 RMM: 2 -0.362916966349E+03 -0.87622E-02 -0.69250E-02 5224 0.574E-01 0.704E-01 RMM: 3 -0.362913245406E+03 0.37209E-02 -0.53630E-03 5579 0.152E-01 0.128E-01 RMM: 4 -0.362913462657E+03 -0.21725E-03 -0.65577E-04 4622 0.604E-02 0.243E-01 RMM: 5 -0.362913089115E+03 0.37354E-03 -0.20746E-04 3881 0.376E-02 0.758E-02 RMM: 6 -0.362913070360E+03 0.18755E-04 -0.64207E-05 3405 0.226E-02 7865 T= 6342. E= 0.68875144E+03 F= 0.63628957E+03 E0= 0.66674168E+03 EK= 0.52462E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362048959695E+03 0.86413E+00 -0.17555E-01 8112 0.231E+01 0.288E-01 RMM: 2 -0.362067168647E+03 -0.18209E-01 -0.75887E-02 5269 0.613E-01 0.138E+00 RMM: 3 -0.362054172943E+03 0.12996E-01 -0.86720E-03 5373 0.215E-01 0.253E-01 RMM: 4 -0.362053959791E+03 0.21315E-03 -0.12016E-03 4641 0.757E-02 0.192E-01 RMM: 5 -0.362053870458E+03 0.89333E-04 -0.26960E-04 3890 0.405E-02 0.175E-01 RMM: 6 -0.362053679492E+03 0.19097E-03 -0.12792E-04 3877 0.319E-02 0.616E-02 RMM: 7 -0.362053727323E+03 -0.47831E-04 -0.82664E-05 3574 0.243E-02 0.109E-01 RMM: 8 -0.362053653993E+03 0.73330E-04 -0.37964E-05 3065 0.196E-02 0.419E-02 RMM: 9 -0.362053645178E+03 0.88145E-05 -0.11801E-05 2486 0.990E-03 7866 T= 6282. E= 0.68895912E+03 F= 0.63698737E+03 E0= 0.66741121E+03 EK= 0.51972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361267582041E+03 0.78607E+00 -0.17473E-01 8160 0.230E+01 0.277E-01 RMM: 2 -0.361287060279E+03 -0.19478E-01 -0.76174E-02 5250 0.608E-01 0.143E+00 RMM: 3 -0.361272833930E+03 0.14226E-01 -0.82980E-03 5370 0.211E-01 0.243E-01 RMM: 4 -0.361272612893E+03 0.22104E-03 -0.12508E-03 4647 0.784E-02 0.191E-01 RMM: 5 -0.361272572915E+03 0.39978E-04 -0.25998E-04 3906 0.420E-02 0.181E-01 RMM: 6 -0.361272349181E+03 0.22373E-03 -0.12002E-04 3843 0.317E-02 0.354E-02 RMM: 7 -0.361272383370E+03 -0.34189E-04 -0.41101E-05 3086 0.180E-02 0.849E-02 RMM: 8 -0.361272339055E+03 0.44314E-04 -0.25647E-05 2610 0.171E-02 0.274E-02 RMM: 9 -0.361272335156E+03 0.38990E-05 -0.63420E-06 2444 0.737E-03 7867 T= 6265. E= 0.68943380E+03 F= 0.63760439E+03 E0= 0.66799769E+03 EK= 0.51829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360608103226E+03 0.66424E+00 -0.18042E-01 8316 0.230E+01 0.237E-01 RMM: 2 -0.360622171598E+03 -0.14068E-01 -0.89713E-02 5165 0.651E-01 0.999E-01 RMM: 3 -0.360614845575E+03 0.73260E-02 -0.80852E-03 5426 0.193E-01 0.203E-01 RMM: 4 -0.360614754198E+03 0.91378E-04 -0.93478E-04 4665 0.680E-02 0.191E-01 RMM: 5 -0.360614603817E+03 0.15038E-03 -0.22254E-04 3889 0.383E-02 0.136E-01 RMM: 6 -0.360614491466E+03 0.11235E-03 -0.84638E-05 3606 0.264E-02 0.493E-02 RMM: 7 -0.360614533671E+03 -0.42204E-04 -0.56700E-05 3320 0.209E-02 0.978E-02 RMM: 8 -0.360614473236E+03 0.60435E-04 -0.31028E-05 2918 0.183E-02 0.291E-02 RMM: 9 -0.360614470139E+03 0.30965E-05 -0.83478E-06 2456 0.820E-03 7868 T= 6301. E= 0.69022431E+03 F= 0.63809587E+03 E0= 0.66845816E+03 EK= 0.52128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360096254209E+03 0.51822E+00 -0.18641E-01 8352 0.231E+01 0.202E-01 RMM: 2 -0.360107087133E+03 -0.10833E-01 -0.87903E-02 5265 0.633E-01 0.716E-01 RMM: 3 -0.360102899267E+03 0.41879E-02 -0.69551E-03 5597 0.170E-01 0.138E-01 RMM: 4 -0.360102983653E+03 -0.84386E-04 -0.69853E-04 4658 0.612E-02 0.214E-01 RMM: 5 -0.360102719728E+03 0.26392E-03 -0.22111E-04 3885 0.395E-02 0.951E-02 RMM: 6 -0.360102683489E+03 0.36239E-04 -0.71934E-05 3501 0.241E-02 0.650E-02 RMM: 7 -0.360102702544E+03 -0.19056E-04 -0.39869E-05 3058 0.187E-02 7869 T= 6382. E= 0.69123620E+03 F= 0.63843971E+03 E0= 0.66877080E+03 EK= 0.52796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359725934836E+03 0.37675E+00 -0.19881E-01 8424 0.233E+01 0.189E-01 RMM: 2 -0.359737542913E+03 -0.11608E-01 -0.10877E-01 5143 0.707E-01 0.544E-01 RMM: 3 -0.359734688381E+03 0.28545E-02 -0.87947E-03 5786 0.178E-01 0.157E-01 RMM: 4 -0.359734666731E+03 0.21650E-04 -0.69587E-04 4665 0.638E-02 0.205E-01 RMM: 5 -0.359734412783E+03 0.25395E-03 -0.23849E-04 3908 0.415E-02 0.934E-02 RMM: 6 -0.359734405101E+03 0.76826E-05 -0.94866E-05 3705 0.268E-02 7870 T= 6480. E= 0.69224789E+03 F= 0.63863884E+03 E0= 0.66894009E+03 EK= 0.53609E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359476083057E+03 0.25833E+00 -0.20129E-01 8448 0.235E+01 0.308E-01 RMM: 2 -0.359498901079E+03 -0.22818E-01 -0.10925E-01 5081 0.731E-01 0.146E+00 RMM: 3 -0.359484151571E+03 0.14750E-01 -0.13009E-02 5378 0.262E-01 0.279E-01 RMM: 4 -0.359483656704E+03 0.49487E-03 -0.13775E-03 4754 0.753E-02 0.123E-01 RMM: 5 -0.359483683015E+03 -0.26311E-04 -0.31145E-04 4074 0.472E-02 0.161E-01 RMM: 6 -0.359483535577E+03 0.14744E-03 -0.15058E-04 3879 0.341E-02 0.705E-02 RMM: 7 -0.359483585514E+03 -0.49937E-04 -0.78872E-05 3580 0.242E-02 0.113E-01 RMM: 8 -0.359483506178E+03 0.79336E-04 -0.39080E-05 3099 0.204E-02 0.418E-02 RMM: 9 -0.359483497401E+03 0.87771E-05 -0.10188E-05 2477 0.953E-03 7871 T= 6558. E= 0.69297369E+03 F= 0.63871924E+03 E0= 0.66898917E+03 EK= 0.54254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359298018047E+03 0.18549E+00 -0.20021E-01 8472 0.236E+01 0.290E-01 RMM: 2 -0.359319492947E+03 -0.21475E-01 -0.10340E-01 5111 0.686E-01 0.138E+00 RMM: 3 -0.359305891430E+03 0.13602E-01 -0.11880E-02 5365 0.248E-01 0.282E-01 RMM: 4 -0.359305412467E+03 0.47896E-03 -0.13689E-03 4708 0.765E-02 0.141E-01 RMM: 5 -0.359305439813E+03 -0.27346E-04 -0.29257E-04 4044 0.452E-02 0.170E-01 RMM: 6 -0.359305264950E+03 0.17486E-03 -0.12408E-04 3845 0.315E-02 0.537E-02 RMM: 7 -0.359305288659E+03 -0.23709E-04 -0.56704E-05 3318 0.209E-02 0.833E-02 RMM: 8 -0.359305248956E+03 0.39703E-04 -0.27532E-05 2786 0.176E-02 0.362E-02 RMM: 9 -0.359305241350E+03 0.76061E-05 -0.72517E-06 2453 0.828E-03 7872 T= 6582. E= 0.69317500E+03 F= 0.63872506E+03 E0= 0.66896627E+03 EK= 0.54450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359139073127E+03 0.16618E+00 -0.19988E-01 8508 0.236E+01 0.238E-01 RMM: 2 -0.359156865874E+03 -0.17793E-01 -0.10756E-01 5158 0.699E-01 0.113E+00 RMM: 3 -0.359147408569E+03 0.94573E-02 -0.97613E-03 5471 0.205E-01 0.201E-01 RMM: 4 -0.359147215249E+03 0.19332E-03 -0.97343E-04 4700 0.685E-02 0.165E-01 RMM: 5 -0.359147134579E+03 0.80670E-04 -0.28720E-04 4025 0.462E-02 0.144E-01 RMM: 6 -0.359147020976E+03 0.11360E-03 -0.11328E-04 3847 0.291E-02 0.658E-02 RMM: 7 -0.359147061209E+03 -0.40232E-04 -0.72437E-05 3524 0.237E-02 0.106E-01 RMM: 8 -0.359146990635E+03 0.70574E-04 -0.35515E-05 3075 0.190E-02 0.317E-02 RMM: 9 -0.359146986863E+03 0.37715E-05 -0.85281E-06 2462 0.836E-03 7873 T= 6536. E= 0.69277835E+03 F= 0.63870810E+03 E0= 0.66892187E+03 EK= 0.54070E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358952304973E+03 0.19469E+00 -0.19559E-01 8580 0.235E+01 0.198E-01 RMM: 2 -0.358964155909E+03 -0.11851E-01 -0.10185E-01 5175 0.673E-01 0.672E-01 RMM: 3 -0.358960219955E+03 0.39360E-02 -0.80653E-03 5637 0.181E-01 0.140E-01 RMM: 4 -0.358960306875E+03 -0.86920E-04 -0.72340E-04 4658 0.626E-02 0.219E-01 RMM: 5 -0.358960031800E+03 0.27508E-03 -0.22305E-04 3897 0.397E-02 0.102E-01 RMM: 6 -0.358959990949E+03 0.40851E-04 -0.92042E-05 3646 0.266E-02 0.689E-02 RMM: 7 -0.358960013309E+03 -0.22360E-04 -0.45709E-05 3169 0.198E-02 0.947E-02 RMM: 8 -0.358959955721E+03 0.57588E-04 -0.26748E-05 2839 0.168E-02 0.230E-02 RMM: 9 -0.358959954424E+03 0.12977E-05 -0.73365E-06 2448 0.775E-03 7874 T= 6432. E= 0.69192712E+03 F= 0.63871625E+03 E0= 0.66890427E+03 EK= 0.53211E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358698402923E+03 0.26155E+00 -0.18939E-01 8616 0.234E+01 0.205E-01 RMM: 2 -0.358709914937E+03 -0.11512E-01 -0.98962E-02 5186 0.662E-01 0.671E-01 RMM: 3 -0.358705955496E+03 0.39594E-02 -0.76718E-03 5673 0.175E-01 0.158E-01 RMM: 4 -0.358706022351E+03 -0.66855E-04 -0.80036E-04 4657 0.670E-02 0.227E-01 RMM: 5 -0.358705724023E+03 0.29833E-03 -0.27364E-04 3934 0.441E-02 0.104E-01 RMM: 6 -0.358705679721E+03 0.44303E-04 -0.84704E-05 3598 0.258E-02 0.696E-02 RMM: 7 -0.358705703759E+03 -0.24038E-04 -0.54408E-05 3294 0.208E-02 0.973E-02 RMM: 8 -0.358705644143E+03 0.59616E-04 -0.30599E-05 2945 0.179E-02 0.250E-02 RMM: 9 -0.358705642849E+03 0.12943E-05 -0.76524E-06 2451 0.766E-03 7875 T= 6303. E= 0.69093422E+03 F= 0.63878745E+03 E0= 0.66895095E+03 EK= 0.52147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358353380808E+03 0.35226E+00 -0.18112E-01 8652 0.232E+01 0.228E-01 RMM: 2 -0.358365147328E+03 -0.11767E-01 -0.92957E-02 5176 0.646E-01 0.789E-01 RMM: 3 -0.358360237152E+03 0.49102E-02 -0.76036E-03 5669 0.178E-01 0.162E-01 RMM: 4 -0.358360363728E+03 -0.12658E-03 -0.86163E-04 4655 0.687E-02 0.244E-01 RMM: 5 -0.358360026205E+03 0.33752E-03 -0.26065E-04 3909 0.418E-02 0.118E-01 RMM: 6 -0.358359957317E+03 0.68888E-04 -0.93601E-05 3668 0.271E-02 0.644E-02 RMM: 7 -0.358359993896E+03 -0.36578E-04 -0.56218E-05 3315 0.206E-02 0.102E-01 RMM: 8 -0.358359926005E+03 0.67891E-04 -0.34698E-05 3007 0.188E-02 0.271E-02 RMM: 9 -0.358359923329E+03 0.26755E-05 -0.86277E-06 2452 0.831E-03 7876 T= 6191. E= 0.69016299E+03 F= 0.63894579E+03 E0= 0.66908622E+03 EK= 0.51217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357904009137E+03 0.45592E+00 -0.17446E-01 8568 0.230E+01 0.229E-01 RMM: 2 -0.357915539655E+03 -0.11531E-01 -0.86887E-02 5220 0.625E-01 0.822E-01 RMM: 3 -0.357910381141E+03 0.51585E-02 -0.71028E-03 5681 0.170E-01 0.171E-01 RMM: 4 -0.357910493781E+03 -0.11264E-03 -0.88812E-04 4641 0.701E-02 0.247E-01 RMM: 5 -0.357910152943E+03 0.34084E-03 -0.27742E-04 3904 0.434E-02 0.121E-01 RMM: 6 -0.357910073656E+03 0.79287E-04 -0.86671E-05 3607 0.264E-02 0.597E-02 RMM: 7 -0.357910114485E+03 -0.40829E-04 -0.61886E-05 3404 0.212E-02 0.104E-01 RMM: 8 -0.357910045921E+03 0.68564E-04 -0.35340E-05 3029 0.190E-02 0.282E-02 RMM: 9 -0.357910042943E+03 0.29775E-05 -0.88186E-06 2457 0.828E-03 7877 T= 6129. E= 0.68991059E+03 F= 0.63920461E+03 E0= 0.66932289E+03 EK= 0.50706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357344146280E+03 0.56590E+00 -0.16996E-01 8760 0.230E+01 0.246E-01 RMM: 2 -0.357356341821E+03 -0.12196E-01 -0.78852E-02 5326 0.598E-01 0.962E-01 RMM: 3 -0.357349654344E+03 0.66875E-02 -0.65112E-03 5508 0.170E-01 0.176E-01 RMM: 4 -0.357349755006E+03 -0.10066E-03 -0.95113E-04 4643 0.714E-02 0.239E-01 RMM: 5 -0.357349459105E+03 0.29590E-03 -0.26328E-04 3904 0.415E-02 0.135E-01 RMM: 6 -0.357349357120E+03 0.10198E-03 -0.97754E-05 3710 0.277E-02 0.602E-02 RMM: 7 -0.357349399705E+03 -0.42585E-04 -0.64425E-05 3432 0.217E-02 0.105E-01 RMM: 8 -0.357349329509E+03 0.70195E-04 -0.35869E-05 3042 0.191E-02 0.288E-02 RMM: 9 -0.357349326048E+03 0.34613E-05 -0.86984E-06 2456 0.825E-03 7878 T= 6136. E= 0.69033348E+03 F= 0.63957171E+03 E0= 0.66966891E+03 EK= 0.50762E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356666320715E+03 0.68301E+00 -0.16401E-01 8580 0.230E+01 0.232E-01 RMM: 2 -0.356677789289E+03 -0.11469E-01 -0.76577E-02 5341 0.583E-01 0.903E-01 RMM: 3 -0.356671800104E+03 0.59892E-02 -0.62246E-03 5518 0.162E-01 0.188E-01 RMM: 4 -0.356671834134E+03 -0.34030E-04 -0.89836E-04 4632 0.695E-02 0.227E-01 RMM: 5 -0.356671577150E+03 0.25698E-03 -0.26876E-04 3897 0.427E-02 0.136E-01 RMM: 6 -0.356671471003E+03 0.10615E-03 -0.97950E-05 3724 0.280E-02 0.583E-02 RMM: 7 -0.356671519576E+03 -0.48573E-04 -0.67268E-05 3469 0.220E-02 0.109E-01 RMM: 8 -0.356671444410E+03 0.75166E-04 -0.36634E-05 3059 0.194E-02 0.286E-02 RMM: 9 -0.356671441327E+03 0.30833E-05 -0.85751E-06 2460 0.810E-03 7879 T= 6209. E= 0.69141786E+03 F= 0.64005477E+03 E0= 0.67013122E+03 EK= 0.51363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355861590373E+03 0.80985E+00 -0.16339E-01 8532 0.231E+01 0.233E-01 RMM: 2 -0.355872851073E+03 -0.11261E-01 -0.77293E-02 5281 0.589E-01 0.895E-01 RMM: 3 -0.355867209854E+03 0.56412E-02 -0.68303E-03 5572 0.168E-01 0.179E-01 RMM: 4 -0.355867212050E+03 -0.21959E-05 -0.86300E-04 4647 0.674E-02 0.213E-01 RMM: 5 -0.355866982294E+03 0.22976E-03 -0.24592E-04 3905 0.405E-02 0.132E-01 RMM: 6 -0.355866892215E+03 0.90080E-04 -0.10205E-04 3762 0.282E-02 0.666E-02 RMM: 7 -0.355866932689E+03 -0.40474E-04 -0.64293E-05 3426 0.219E-02 0.107E-01 RMM: 8 -0.355866858437E+03 0.74252E-04 -0.36414E-05 3054 0.191E-02 0.262E-02 RMM: 9 -0.355866856453E+03 0.19842E-05 -0.88899E-06 2455 0.831E-03 7880 T= 6324. E= 0.69298265E+03 F= 0.64066452E+03 E0= 0.67072047E+03 EK= 0.52318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354915451365E+03 0.95141E+00 -0.16360E-01 8688 0.233E+01 0.221E-01 RMM: 2 -0.354926858942E+03 -0.11408E-01 -0.76296E-02 5277 0.585E-01 0.891E-01 RMM: 3 -0.354921055109E+03 0.58038E-02 -0.64870E-03 5533 0.166E-01 0.185E-01 RMM: 4 -0.354921019056E+03 0.36053E-04 -0.85792E-04 4641 0.672E-02 0.198E-01 RMM: 5 -0.354920827289E+03 0.19177E-03 -0.26039E-04 3901 0.425E-02 0.128E-01 RMM: 6 -0.354920742653E+03 0.84636E-04 -0.95360E-05 3708 0.275E-02 0.658E-02 RMM: 7 -0.354920778989E+03 -0.36336E-04 -0.65629E-05 3466 0.220E-02 0.104E-01 RMM: 8 -0.354920709608E+03 0.69381E-04 -0.34930E-05 3041 0.190E-02 0.260E-02 RMM: 9 -0.354920707902E+03 0.17060E-05 -0.80553E-06 2457 0.777E-03 7881 T= 6443. E= 0.69471917E+03 F= 0.64141654E+03 E0= 0.67145148E+03 EK= 0.53303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353811104222E+03 0.11096E+01 -0.16873E-01 8508 0.234E+01 0.212E-01 RMM: 2 -0.353821038526E+03 -0.99343E-02 -0.77384E-02 5316 0.585E-01 0.750E-01 RMM: 3 -0.353816790210E+03 0.42483E-02 -0.63658E-03 5645 0.161E-01 0.166E-01 RMM: 4 -0.353816797093E+03 -0.68835E-05 -0.73857E-04 4652 0.623E-02 0.201E-01 RMM: 5 -0.353816575201E+03 0.22189E-03 -0.23952E-04 3894 0.408E-02 0.117E-01 RMM: 6 -0.353816522496E+03 0.52705E-04 -0.10344E-04 3781 0.282E-02 0.791E-02 RMM: 7 -0.353816551050E+03 -0.28554E-04 -0.61863E-05 3415 0.219E-02 0.107E-01 RMM: 8 -0.353816476818E+03 0.74232E-04 -0.34764E-05 3037 0.186E-02 0.250E-02 RMM: 9 -0.353816475740E+03 0.10787E-05 -0.95249E-06 2454 0.853E-03 7882 T= 6522. E= 0.69628184E+03 F= 0.64232747E+03 E0= 0.67234084E+03 EK= 0.53954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352541114315E+03 0.12754E+01 -0.16944E-01 8880 0.234E+01 0.205E-01 RMM: 2 -0.352551299979E+03 -0.10186E-01 -0.78361E-02 5422 0.577E-01 0.747E-01 RMM: 3 -0.352546789858E+03 0.45101E-02 -0.57912E-03 5605 0.155E-01 0.162E-01 RMM: 4 -0.352546842266E+03 -0.52409E-04 -0.77903E-04 4642 0.645E-02 0.208E-01 RMM: 5 -0.352546592827E+03 0.24944E-03 -0.25266E-04 3889 0.420E-02 0.107E-01 RMM: 6 -0.352546555130E+03 0.37697E-04 -0.89480E-05 3659 0.262E-02 0.799E-02 RMM: 7 -0.352546565679E+03 -0.10549E-04 -0.58640E-05 3386 0.215E-02 7883 T= 6529. E= 0.69742094E+03 F= 0.64340448E+03 E0= 0.67339477E+03 EK= 0.54016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351118718398E+03 0.14278E+01 -0.17373E-01 8688 0.233E+01 0.225E-01 RMM: 2 -0.351128551182E+03 -0.98328E-02 -0.88268E-02 5468 0.598E-01 0.630E-01 RMM: 3 -0.351125039387E+03 0.35118E-02 -0.61271E-03 5720 0.155E-01 0.170E-01 RMM: 4 -0.351125206448E+03 -0.16706E-03 -0.80902E-04 4627 0.675E-02 0.260E-01 RMM: 5 -0.351124777657E+03 0.42879E-03 -0.31431E-04 3930 0.459E-02 0.104E-01 RMM: 6 -0.351124786216E+03 -0.85598E-05 -0.11584E-04 3829 0.285E-02 7884 T= 6463. E= 0.69809985E+03 F= 0.64463311E+03 E0= 0.67460110E+03 EK= 0.53467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349598659308E+03 0.15261E+01 -0.17386E-01 8748 0.231E+01 0.339E-01 RMM: 2 -0.349620599685E+03 -0.21940E-01 -0.95482E-02 5377 0.657E-01 0.151E+00 RMM: 3 -0.349605044934E+03 0.15555E-01 -0.12396E-02 5372 0.260E-01 0.280E-01 RMM: 4 -0.349604653384E+03 0.39155E-03 -0.14149E-03 4677 0.781E-02 0.176E-01 RMM: 5 -0.349604640955E+03 0.12430E-04 -0.31744E-04 3993 0.455E-02 0.193E-01 RMM: 6 -0.349604413149E+03 0.22781E-03 -0.16734E-04 3885 0.363E-02 0.665E-02 RMM: 7 -0.349604481410E+03 -0.68261E-04 -0.89795E-05 3665 0.252E-02 0.123E-01 RMM: 8 -0.349604393006E+03 0.88404E-04 -0.46604E-05 3198 0.210E-02 0.538E-02 RMM: 9 -0.349604375469E+03 0.17537E-04 -0.15208E-05 2516 0.116E-02 7885 T= 6352. E= 0.69850463E+03 F= 0.64595961E+03 E0= 0.67590209E+03 EK= 0.52545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348072868870E+03 0.15315E+01 -0.16883E-01 8772 0.229E+01 0.345E-01 RMM: 2 -0.348094808622E+03 -0.21940E-01 -0.97812E-02 5469 0.660E-01 0.149E+00 RMM: 3 -0.348079594348E+03 0.15214E-01 -0.11815E-02 5375 0.251E-01 0.346E-01 RMM: 4 -0.348078983624E+03 0.61072E-03 -0.16880E-03 4658 0.891E-02 0.201E-01 RMM: 5 -0.348078920221E+03 0.63403E-04 -0.31140E-04 3918 0.443E-02 0.191E-01 RMM: 6 -0.348078687204E+03 0.23302E-03 -0.12442E-04 3853 0.320E-02 0.453E-02 RMM: 7 -0.348078713326E+03 -0.26122E-04 -0.42676E-05 3087 0.177E-02 0.841E-02 RMM: 8 -0.348078676505E+03 0.36821E-04 -0.37805E-05 2729 0.187E-02 0.409E-02 RMM: 9 -0.348078668027E+03 0.84782E-05 -0.14347E-05 2481 0.113E-02 7886 T= 6245. E= 0.69894936E+03 F= 0.64729053E+03 E0= 0.67720883E+03 EK= 0.51659E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346666149776E+03 0.14125E+01 -0.16794E-01 8628 0.226E+01 0.311E-01 RMM: 2 -0.346686801678E+03 -0.20652E-01 -0.10537E-01 5443 0.684E-01 0.137E+00 RMM: 3 -0.346673568188E+03 0.13233E-01 -0.96365E-03 5456 0.213E-01 0.245E-01 RMM: 4 -0.346673563488E+03 0.47000E-05 -0.15339E-03 4674 0.887E-02 0.274E-01 RMM: 5 -0.346673186620E+03 0.37687E-03 -0.34796E-04 3961 0.469E-02 0.156E-01 RMM: 6 -0.346673039395E+03 0.14723E-03 -0.11237E-04 3822 0.297E-02 0.613E-02 RMM: 7 -0.346673094536E+03 -0.55141E-04 -0.95223E-05 3790 0.254E-02 0.115E-01 RMM: 8 -0.346673010835E+03 0.83701E-04 -0.51184E-05 3268 0.212E-02 0.384E-02 RMM: 9 -0.346673005012E+03 0.58225E-05 -0.13144E-05 2494 0.102E-02 7887 T= 6192. E= 0.69972599E+03 F= 0.64850102E+03 E0= 0.67839628E+03 EK= 0.51225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345514157947E+03 0.11589E+01 -0.16456E-01 8940 0.225E+01 0.272E-01 RMM: 2 -0.345529051618E+03 -0.14894E-01 -0.10266E-01 5546 0.657E-01 0.998E-01 RMM: 3 -0.345521464369E+03 0.75872E-02 -0.76363E-03 5464 0.186E-01 0.208E-01 RMM: 4 -0.345521651923E+03 -0.18755E-03 -0.11440E-03 4640 0.768E-02 0.284E-01 RMM: 5 -0.345521194008E+03 0.45792E-03 -0.30108E-04 3898 0.438E-02 0.139E-01 RMM: 6 -0.345521077010E+03 0.11700E-03 -0.98871E-05 3741 0.281E-02 0.535E-02 RMM: 7 -0.345521118901E+03 -0.41891E-04 -0.60415E-05 3371 0.205E-02 0.102E-01 RMM: 8 -0.345521049952E+03 0.68949E-04 -0.45418E-05 3132 0.204E-02 0.294E-02 RMM: 9 -0.345521048996E+03 0.95633E-06 -0.13648E-05 2484 0.105E-02 7888 T= 6228. E= 0.70097676E+03 F= 0.64945830E+03 E0= 0.67933348E+03 EK= 0.51518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344725014534E+03 0.79604E+00 -0.16692E-01 8616 0.225E+01 0.248E-01 RMM: 2 -0.344740263658E+03 -0.15249E-01 -0.11231E-01 5466 0.692E-01 0.948E-01 RMM: 3 -0.344733471678E+03 0.67920E-02 -0.83380E-03 5639 0.186E-01 0.192E-01 RMM: 4 -0.344733568368E+03 -0.96691E-04 -0.10870E-03 4661 0.761E-02 0.257E-01 RMM: 5 -0.344733200552E+03 0.36782E-03 -0.28613E-04 3914 0.427E-02 0.124E-01 RMM: 6 -0.344733115205E+03 0.85347E-04 -0.92014E-05 3673 0.266E-02 0.619E-02 RMM: 7 -0.344733156642E+03 -0.41437E-04 -0.71005E-05 3528 0.225E-02 0.105E-01 RMM: 8 -0.344733086772E+03 0.69870E-04 -0.37722E-05 3049 0.193E-02 0.309E-02 RMM: 9 -0.344733084226E+03 0.25464E-05 -0.11737E-05 2471 0.958E-03 7889 T= 6354. E= 0.70261999E+03 F= 0.65005301E+03 E0= 0.67991208E+03 EK= 0.52567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344359734853E+03 0.37335E+00 -0.16990E-01 8808 0.227E+01 0.234E-01 RMM: 2 -0.344374176315E+03 -0.14441E-01 -0.10548E-01 5580 0.658E-01 0.924E-01 RMM: 3 -0.344367602435E+03 0.65739E-02 -0.71473E-03 5599 0.174E-01 0.176E-01 RMM: 4 -0.344367644000E+03 -0.41565E-04 -0.87056E-04 4658 0.671E-02 0.225E-01 RMM: 5 -0.344367369980E+03 0.27402E-03 -0.25054E-04 3889 0.406E-02 0.124E-01 RMM: 6 -0.344367295666E+03 0.74314E-04 -0.10725E-04 3806 0.287E-02 0.701E-02 RMM: 7 -0.344367342437E+03 -0.46771E-04 -0.70881E-05 3535 0.224E-02 0.114E-01 RMM: 8 -0.344367257259E+03 0.85178E-04 -0.42037E-05 3123 0.204E-02 0.282E-02 RMM: 9 -0.344367256714E+03 0.54518E-06 -0.11475E-05 2473 0.934E-03 7890 T= 6539. E= 0.70432273E+03 F= 0.65022747E+03 E0= 0.68007542E+03 EK= 0.54095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344407095944E+03 -0.39839E-01 -0.18102E-01 8952 0.231E+01 0.213E-01 RMM: 2 -0.344421610025E+03 -0.14514E-01 -0.11483E-01 5553 0.689E-01 0.831E-01 RMM: 3 -0.344416066135E+03 0.55439E-02 -0.73038E-03 5539 0.176E-01 0.196E-01 RMM: 4 -0.344415916746E+03 0.14939E-03 -0.82287E-04 4647 0.643E-02 0.165E-01 RMM: 5 -0.344415781090E+03 0.13566E-03 -0.22467E-04 3891 0.390E-02 0.122E-01 RMM: 6 -0.344415722684E+03 0.58406E-04 -0.11612E-04 3857 0.293E-02 0.861E-02 RMM: 7 -0.344415747952E+03 -0.25268E-04 -0.80971E-05 3638 0.247E-02 0.110E-01 RMM: 8 -0.344415670099E+03 0.77853E-04 -0.39644E-05 3142 0.195E-02 0.293E-02 RMM: 9 -0.344415669382E+03 0.71754E-06 -0.11912E-05 2471 0.965E-03 7891 T= 6716. E= 0.70554849E+03 F= 0.64998921E+03 E0= 0.67983120E+03 EK= 0.55559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344799607990E+03 -0.38394E+00 -0.19678E-01 9012 0.234E+01 0.215E-01 RMM: 2 -0.344815103656E+03 -0.15496E-01 -0.12037E-01 5589 0.704E-01 0.870E-01 RMM: 3 -0.344809157718E+03 0.59459E-02 -0.75083E-03 5547 0.177E-01 0.184E-01 RMM: 4 -0.344809011868E+03 0.14585E-03 -0.76847E-04 4660 0.613E-02 0.162E-01 RMM: 5 -0.344808858624E+03 0.15324E-03 -0.23228E-04 3891 0.407E-02 0.109E-01 RMM: 6 -0.344808849185E+03 0.94386E-05 -0.12375E-04 3872 0.300E-02 7892 T= 6809. E= 0.70573516E+03 F= 0.64940640E+03 E0= 0.67924721E+03 EK= 0.56329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345426628159E+03 -0.61777E+00 -0.21344E-01 9000 0.236E+01 0.396E-01 RMM: 2 -0.345464958271E+03 -0.38330E-01 -0.13984E-01 5481 0.784E-01 0.203E+00 RMM: 3 -0.345436819902E+03 0.28138E-01 -0.16746E-02 5359 0.304E-01 0.363E-01 RMM: 4 -0.345435996613E+03 0.82329E-03 -0.20458E-03 4758 0.898E-02 0.174E-01 RMM: 5 -0.345435957762E+03 0.38851E-04 -0.44985E-04 4455 0.543E-02 0.192E-01 RMM: 6 -0.345435769238E+03 0.18852E-03 -0.29547E-04 3942 0.464E-02 0.113E-01 RMM: 7 -0.345435889222E+03 -0.11998E-03 -0.20337E-04 3889 0.384E-02 0.174E-01 RMM: 8 -0.345435720062E+03 0.16916E-03 -0.11326E-04 3848 0.311E-02 0.802E-02 RMM: 9 -0.345435684983E+03 0.35079E-04 -0.28452E-05 2896 0.156E-02 0.392E-02 RMM: 10 -0.345435690328E+03 -0.53450E-05 -0.23387E-05 2545 0.140E-02 7893 T= 6768. E= 0.70457802E+03 F= 0.64858811E+03 E0= 0.67843010E+03 EK= 0.55990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346168234673E+03 -0.73255E+00 -0.22636E-01 9036 0.235E+01 0.345E-01 RMM: 2 -0.346199501972E+03 -0.31267E-01 -0.14216E-01 5411 0.777E-01 0.170E+00 RMM: 3 -0.346179331320E+03 0.20171E-01 -0.15326E-02 5377 0.283E-01 0.398E-01 RMM: 4 -0.346178256463E+03 0.10749E-02 -0.19400E-03 4742 0.927E-02 0.133E-01 RMM: 5 -0.346178284947E+03 -0.28483E-04 -0.40233E-04 4351 0.524E-02 0.174E-01 RMM: 6 -0.346178096160E+03 0.18879E-03 -0.15731E-04 3879 0.338E-02 0.649E-02 RMM: 7 -0.346178162975E+03 -0.66815E-04 -0.90193E-05 3639 0.247E-02 0.123E-01 RMM: 8 -0.346178077280E+03 0.85695E-04 -0.50386E-05 3255 0.220E-02 0.470E-02 RMM: 9 -0.346178064651E+03 0.12629E-04 -0.13316E-05 2499 0.109E-02 7894 T= 6599. E= 0.70223894E+03 F= 0.64765018E+03 E0= 0.67749419E+03 EK= 0.54589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346926173277E+03 -0.74810E+00 -0.22985E-01 9096 0.233E+01 0.254E-01 RMM: 2 -0.346943936609E+03 -0.17763E-01 -0.13742E-01 5605 0.721E-01 0.940E-01 RMM: 3 -0.346936673570E+03 0.72630E-02 -0.89403E-03 5575 0.188E-01 0.205E-01 RMM: 4 -0.346936575730E+03 0.97840E-04 -0.98034E-04 4676 0.697E-02 0.223E-01 RMM: 5 -0.346936315535E+03 0.26020E-03 -0.36811E-04 4190 0.505E-02 0.140E-01 RMM: 6 -0.346936261643E+03 0.53892E-04 -0.19861E-04 3882 0.371E-02 0.113E-01 RMM: 7 -0.346936296517E+03 -0.34874E-04 -0.11820E-04 3854 0.304E-02 0.138E-01 RMM: 8 -0.346936175352E+03 0.12117E-03 -0.55670E-05 3379 0.217E-02 0.358E-02 RMM: 9 -0.346936174844E+03 0.50831E-06 -0.15669E-05 2509 0.110E-02 7895 T= 6359. E= 0.69929827E+03 F= 0.64669053E+03 E0= 0.67653671E+03 EK= 0.52608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347632909476E+03 -0.69673E+00 -0.23314E-01 9096 0.230E+01 0.238E-01 RMM: 2 -0.347650634816E+03 -0.17725E-01 -0.13498E-01 5554 0.730E-01 0.944E-01 RMM: 3 -0.347643464642E+03 0.71702E-02 -0.86307E-03 5633 0.187E-01 0.184E-01 RMM: 4 -0.347643423848E+03 0.40794E-04 -0.91650E-04 4658 0.682E-02 0.212E-01 RMM: 5 -0.347643170036E+03 0.25381E-03 -0.28768E-04 3937 0.442E-02 0.121E-01 RMM: 6 -0.347643115926E+03 0.54110E-04 -0.14113E-04 3877 0.322E-02 0.858E-02 RMM: 7 -0.347643152298E+03 -0.36372E-04 -0.74134E-05 3555 0.236E-02 0.117E-01 RMM: 8 -0.347643060930E+03 0.91368E-04 -0.41129E-05 3143 0.199E-02 0.268E-02 RMM: 9 -0.347643059748E+03 0.11818E-05 -0.10200E-05 2468 0.881E-03 7896 T= 6130. E= 0.69648327E+03 F= 0.64577521E+03 E0= 0.67562303E+03 EK= 0.50708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348257323637E+03 -0.61426E+00 -0.21791E-01 9120 0.228E+01 0.241E-01 RMM: 2 -0.348273096011E+03 -0.15772E-01 -0.12339E-01 5633 0.693E-01 0.874E-01 RMM: 3 -0.348266870950E+03 0.62251E-02 -0.75522E-03 5626 0.175E-01 0.187E-01 RMM: 4 -0.348266887026E+03 -0.16076E-04 -0.96153E-04 4631 0.721E-02 0.234E-01 RMM: 5 -0.348266609316E+03 0.27771E-03 -0.34771E-04 4066 0.489E-02 0.141E-01 RMM: 6 -0.348266515311E+03 0.94005E-04 -0.14757E-04 3880 0.323E-02 0.863E-02 RMM: 7 -0.348266544143E+03 -0.28832E-04 -0.95414E-05 3740 0.265E-02 0.111E-01 RMM: 8 -0.348266462336E+03 0.81807E-04 -0.42856E-05 3209 0.201E-02 0.307E-02 RMM: 9 -0.348266459962E+03 0.23741E-05 -0.11024E-05 2475 0.925E-03 7897 T= 5979. E= 0.69439606E+03 F= 0.64493686E+03 E0= 0.67478486E+03 EK= 0.49459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348791311181E+03 -0.52485E+00 -0.21000E-01 9072 0.228E+01 0.236E-01 RMM: 2 -0.348805791865E+03 -0.14481E-01 -0.11631E-01 5644 0.682E-01 0.827E-01 RMM: 3 -0.348800338421E+03 0.54534E-02 -0.72506E-03 5665 0.170E-01 0.181E-01 RMM: 4 -0.348800413880E+03 -0.75458E-04 -0.89477E-04 4637 0.700E-02 0.243E-01 RMM: 5 -0.348800046475E+03 0.36740E-03 -0.31250E-04 3949 0.455E-02 0.112E-01 RMM: 6 -0.348800020055E+03 0.26420E-04 -0.15200E-04 3880 0.331E-02 0.985E-02 RMM: 7 -0.348800037553E+03 -0.17499E-04 -0.75646E-05 3582 0.242E-02 7898 T= 5947. E= 0.69337875E+03 F= 0.64418339E+03 E0= 0.67403122E+03 EK= 0.49195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349243577789E+03 -0.44356E+00 -0.19798E-01 9000 0.229E+01 0.253E-01 RMM: 2 -0.349256720340E+03 -0.13143E-01 -0.10825E-01 5608 0.672E-01 0.784E-01 RMM: 3 -0.349251983702E+03 0.47366E-02 -0.71927E-03 5502 0.174E-01 0.215E-01 RMM: 4 -0.349252007026E+03 -0.23324E-04 -0.99027E-04 4629 0.734E-02 0.257E-01 RMM: 5 -0.349251637905E+03 0.36912E-03 -0.42050E-04 4344 0.538E-02 0.139E-01 RMM: 6 -0.349251574872E+03 0.63032E-04 -0.15728E-04 3880 0.326E-02 0.104E-01 RMM: 7 -0.349251583946E+03 -0.90734E-05 -0.10461E-04 3858 0.282E-02 7899 T= 6041. E= 0.69348803E+03 F= 0.64350931E+03 E0= 0.67335882E+03 EK= 0.49979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349624301215E+03 -0.37273E+00 -0.18367E-01 8868 0.233E+01 0.256E-01 RMM: 2 -0.349637831344E+03 -0.13530E-01 -0.99792E-02 5416 0.666E-01 0.914E-01 RMM: 3 -0.349631823854E+03 0.60075E-02 -0.80175E-03 5535 0.188E-01 0.203E-01 RMM: 4 -0.349631755821E+03 0.68034E-04 -0.93588E-04 4623 0.688E-02 0.214E-01 RMM: 5 -0.349631585394E+03 0.17043E-03 -0.32994E-04 4069 0.477E-02 0.169E-01 RMM: 6 -0.349631422962E+03 0.16243E-03 -0.18517E-04 3880 0.369E-02 0.737E-02 RMM: 7 -0.349631486203E+03 -0.63241E-04 -0.83514E-05 3654 0.251E-02 0.126E-01 RMM: 8 -0.349631383698E+03 0.10251E-03 -0.38844E-05 3083 0.196E-02 0.340E-02 RMM: 9 -0.349631379977E+03 0.37208E-05 -0.13562E-05 2483 0.103E-02 7900 T= 6237. E= 0.69450195E+03 F= 0.64290657E+03 E0= 0.67276060E+03 EK= 0.51595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349940575557E+03 -0.30919E+00 -0.17675E-01 8748 0.237E+01 0.197E-01 RMM: 2 -0.349950730915E+03 -0.10155E-01 -0.87737E-02 5541 0.606E-01 0.640E-01 RMM: 3 -0.349947309398E+03 0.34215E-02 -0.57997E-03 5459 0.161E-01 0.141E-01 RMM: 4 -0.349947460446E+03 -0.15105E-03 -0.67646E-04 4614 0.592E-02 0.233E-01 RMM: 5 -0.349947120380E+03 0.34007E-03 -0.24991E-04 3891 0.427E-02 0.813E-02 RMM: 6 -0.349947142119E+03 -0.21739E-04 -0.11695E-04 3842 0.288E-02 0.104E-01 RMM: 7 -0.349947110924E+03 0.31195E-04 -0.48913E-05 3251 0.211E-02 0.794E-02 RMM: 8 -0.349947068905E+03 0.42019E-04 -0.21276E-05 2647 0.146E-02 0.208E-02 RMM: 9 -0.349947068463E+03 0.44214E-06 -0.69066E-06 2442 0.737E-03 7901 T= 6475. E= 0.69593271E+03 F= 0.64236896E+03 E0= 0.67223364E+03 EK= 0.53564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350192857486E+03 -0.24579E+00 -0.17457E-01 8508 0.241E+01 0.230E-01 RMM: 2 -0.350203345875E+03 -0.10488E-01 -0.82997E-02 5298 0.623E-01 0.770E-01 RMM: 3 -0.350199009609E+03 0.43363E-02 -0.67299E-03 5562 0.167E-01 0.183E-01 RMM: 4 -0.350199029308E+03 -0.19698E-04 -0.85830E-04 4621 0.701E-02 0.227E-01 RMM: 5 -0.350198736808E+03 0.29250E-03 -0.37429E-04 4255 0.516E-02 0.130E-01 RMM: 6 -0.350198691912E+03 0.44896E-04 -0.15552E-04 3877 0.326E-02 0.105E-01 RMM: 7 -0.350198671318E+03 0.20594E-04 -0.73474E-05 3607 0.251E-02 0.978E-02 RMM: 8 -0.350198611364E+03 0.59954E-04 -0.29408E-05 2946 0.169E-02 0.302E-02 RMM: 9 -0.350198612554E+03 -0.11899E-05 -0.13087E-05 2479 0.102E-02 7902 T= 6675. E= 0.69711281E+03 F= 0.64189666E+03 E0= 0.67177977E+03 EK= 0.55216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350379256784E+03 -0.18065E+00 -0.17312E-01 8160 0.244E+01 0.231E-01 RMM: 2 -0.350389215213E+03 -0.99584E-02 -0.74606E-02 5243 0.614E-01 0.811E-01 RMM: 3 -0.350384600627E+03 0.46146E-02 -0.66035E-03 5567 0.168E-01 0.161E-01 RMM: 4 -0.350384640308E+03 -0.39681E-04 -0.81921E-04 4608 0.678E-02 0.216E-01 RMM: 5 -0.350384367676E+03 0.27263E-03 -0.31470E-04 4010 0.475E-02 0.112E-01 RMM: 6 -0.350384354356E+03 0.13320E-04 -0.14491E-04 3876 0.325E-02 7903 T= 6761. E= 0.69741896E+03 F= 0.64149017E+03 E0= 0.67140093E+03 EK= 0.55929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350505932086E+03 -0.12156E+00 -0.17508E-01 7788 0.243E+01 0.367E-01 RMM: 2 -0.350533935533E+03 -0.28003E-01 -0.75903E-02 5217 0.652E-01 0.187E+00 RMM: 3 -0.350510721106E+03 0.23214E-01 -0.12769E-02 5337 0.275E-01 0.332E-01 RMM: 4 -0.350510167260E+03 0.55385E-03 -0.16311E-03 4724 0.852E-02 0.194E-01 RMM: 5 -0.350510207380E+03 -0.40119E-04 -0.59214E-04 4597 0.647E-02 0.238E-01 RMM: 6 -0.350509872992E+03 0.33439E-03 -0.30632E-04 3925 0.465E-02 0.937E-02 RMM: 7 -0.350509948463E+03 -0.75470E-04 -0.16133E-04 3888 0.347E-02 0.147E-01 RMM: 8 -0.350509813585E+03 0.13488E-03 -0.86414E-05 3639 0.279E-02 0.492E-02 RMM: 9 -0.350509805027E+03 0.85582E-05 -0.17386E-05 2556 0.124E-02 7904 T= 6700. E= 0.69656876E+03 F= 0.64114196E+03 E0= 0.67108567E+03 EK= 0.55427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350590448755E+03 -0.80635E-01 -0.17565E-01 7524 0.241E+01 0.379E-01 RMM: 2 -0.350626097017E+03 -0.35648E-01 -0.71157E-02 5147 0.642E-01 0.218E+00 RMM: 3 -0.350594555956E+03 0.31541E-01 -0.13228E-02 5337 0.286E-01 0.335E-01 RMM: 4 -0.350593940003E+03 0.61595E-03 -0.18480E-03 4862 0.934E-02 0.192E-01 RMM: 5 -0.350594054939E+03 -0.11494E-03 -0.41991E-04 4439 0.515E-02 0.243E-01 RMM: 6 -0.350593663674E+03 0.39127E-03 -0.22212E-04 3886 0.408E-02 0.493E-02 RMM: 7 -0.350593702487E+03 -0.38813E-04 -0.76581E-05 3517 0.239E-02 0.949E-02 RMM: 8 -0.350593646287E+03 0.56199E-04 -0.33911E-05 3018 0.188E-02 0.294E-02 RMM: 9 -0.350593641816E+03 0.44713E-05 -0.69953E-06 2459 0.767E-03 7905 T= 6521. E= 0.69477608E+03 F= 0.64083111E+03 E0= 0.67081307E+03 EK= 0.53945E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350661612657E+03 -0.67966E-01 -0.17641E-01 7524 0.236E+01 0.295E-01 RMM: 2 -0.350676299248E+03 -0.14687E-01 -0.71489E-02 5138 0.626E-01 0.122E+00 RMM: 3 -0.350666421289E+03 0.98780E-02 -0.84500E-03 5377 0.205E-01 0.255E-01 RMM: 4 -0.350666353462E+03 0.67827E-04 -0.12746E-03 4670 0.810E-02 0.252E-01 RMM: 5 -0.350666042181E+03 0.31128E-03 -0.44492E-04 4529 0.561E-02 0.161E-01 RMM: 6 -0.350665907798E+03 0.13438E-03 -0.16318E-04 3880 0.336E-02 0.817E-02 RMM: 7 -0.350665958963E+03 -0.51165E-04 -0.91606E-05 3714 0.264E-02 0.124E-01 RMM: 8 -0.350665860853E+03 0.98110E-04 -0.44869E-05 3221 0.206E-02 0.359E-02 RMM: 9 -0.350665855604E+03 0.52494E-05 -0.11245E-05 2478 0.959E-03 7906 T= 6297. E= 0.69261911E+03 F= 0.64052603E+03 E0= 0.67054681E+03 EK= 0.52093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350751368393E+03 -0.85508E-01 -0.16721E-01 7908 0.232E+01 0.290E-01 RMM: 2 -0.350764705106E+03 -0.13337E-01 -0.70211E-02 5075 0.622E-01 0.116E+00 RMM: 3 -0.350755956888E+03 0.87482E-02 -0.80626E-03 5458 0.197E-01 0.190E-01 RMM: 4 -0.350756255903E+03 -0.29901E-03 -0.11796E-03 4627 0.793E-02 0.309E-01 RMM: 5 -0.350755741285E+03 0.51462E-03 -0.38731E-04 4361 0.516E-02 0.155E-01 RMM: 6 -0.350755612693E+03 0.12859E-03 -0.15313E-04 3880 0.330E-02 0.753E-02 RMM: 7 -0.350755663131E+03 -0.50438E-04 -0.84159E-05 3649 0.253E-02 0.119E-01 RMM: 8 -0.350755569089E+03 0.94042E-04 -0.43717E-05 3195 0.205E-02 0.298E-02 RMM: 9 -0.350755566313E+03 0.27758E-05 -0.10257E-05 2468 0.906E-03 7907 T= 6110. E= 0.69074407E+03 F= 0.64019716E+03 E0= 0.67025517E+03 EK= 0.50547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350876310396E+03 -0.12074E+00 -0.17040E-01 8064 0.229E+01 0.256E-01 RMM: 2 -0.350887178660E+03 -0.10868E-01 -0.78205E-02 5005 0.642E-01 0.866E-01 RMM: 3 -0.350881947233E+03 0.52314E-02 -0.79205E-03 5495 0.184E-01 0.188E-01 RMM: 4 -0.350882229650E+03 -0.28242E-03 -0.11345E-03 4687 0.815E-02 0.306E-01 RMM: 5 -0.350881662524E+03 0.56713E-03 -0.42688E-04 4424 0.546E-02 0.120E-01 RMM: 6 -0.350881620154E+03 0.42370E-04 -0.13089E-04 3867 0.298E-02 0.940E-02 RMM: 7 -0.350881630888E+03 -0.10734E-04 -0.69479E-05 3546 0.238E-02 7908 T= 6020. E= 0.68962527E+03 F= 0.63982654E+03 E0= 0.66991794E+03 EK= 0.49799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351042081631E+03 -0.16046E+00 -0.16383E-01 8280 0.228E+01 0.281E-01 RMM: 2 -0.351052463255E+03 -0.10382E-01 -0.70639E-02 5169 0.606E-01 0.919E-01 RMM: 3 -0.351046840217E+03 0.56230E-02 -0.70670E-03 5530 0.177E-01 0.205E-01 RMM: 4 -0.351047112036E+03 -0.27182E-03 -0.11793E-03 4636 0.830E-02 0.319E-01 RMM: 5 -0.351046547264E+03 0.56477E-03 -0.47344E-04 4463 0.575E-02 0.156E-01 RMM: 6 -0.351046448769E+03 0.98495E-04 -0.18169E-04 3890 0.352E-02 0.105E-01 RMM: 7 -0.351046470863E+03 -0.22095E-04 -0.11708E-04 3876 0.305E-02 0.126E-01 RMM: 8 -0.351046367627E+03 0.10324E-03 -0.55807E-05 3354 0.220E-02 0.329E-02 RMM: 9 -0.351046368252E+03 -0.62418E-06 -0.12414E-05 2502 0.990E-03 7909 T= 6051. E= 0.68946918E+03 F= 0.63941380E+03 E0= 0.66953546E+03 EK= 0.50055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351228398542E+03 -0.18203E+00 -0.16617E-01 8472 0.229E+01 0.222E-01 RMM: 2 -0.351238795869E+03 -0.10397E-01 -0.78480E-02 5060 0.628E-01 0.795E-01 RMM: 3 -0.351234369986E+03 0.44259E-02 -0.77020E-03 5574 0.178E-01 0.160E-01 RMM: 4 -0.351234504702E+03 -0.13472E-03 -0.81919E-04 4627 0.678E-02 0.251E-01 RMM: 5 -0.351234110531E+03 0.39417E-03 -0.33059E-04 4220 0.498E-02 0.983E-02 RMM: 6 -0.351234115187E+03 -0.46552E-05 -0.14589E-04 3874 0.319E-02 7910 T= 6192. E= 0.69019895E+03 F= 0.63897687E+03 E0= 0.66912446E+03 EK= 0.51222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351401837250E+03 -0.16773E+00 -0.16804E-01 8400 0.232E+01 0.368E-01 RMM: 2 -0.351433329836E+03 -0.31493E-01 -0.93108E-02 5150 0.698E-01 0.195E+00 RMM: 3 -0.351408179883E+03 0.25150E-01 -0.13633E-02 5342 0.279E-01 0.330E-01 RMM: 4 -0.351407659245E+03 0.52064E-03 -0.18218E-03 4805 0.907E-02 0.205E-01 RMM: 5 -0.351407676410E+03 -0.17164E-04 -0.66112E-04 4607 0.682E-02 0.253E-01 RMM: 6 -0.351407316420E+03 0.35999E-03 -0.37442E-04 4218 0.514E-02 0.107E-01 RMM: 7 -0.351407440565E+03 -0.12415E-03 -0.20166E-04 3891 0.391E-02 0.178E-01 RMM: 8 -0.351407241617E+03 0.19895E-03 -0.10583E-04 3743 0.304E-02 0.507E-02 RMM: 9 -0.351407232464E+03 0.91531E-05 -0.17059E-05 2546 0.120E-02 7911 T= 6396. E= 0.69146894E+03 F= 0.63855518E+03 E0= 0.66872468E+03 EK= 0.52914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351509738188E+03 -0.10250E+00 -0.16847E-01 8400 0.235E+01 0.350E-01 RMM: 2 -0.351545180359E+03 -0.35442E-01 -0.89513E-02 5205 0.683E-01 0.209E+00 RMM: 3 -0.351515826367E+03 0.29354E-01 -0.13359E-02 5360 0.278E-01 0.329E-01 RMM: 4 -0.351515178812E+03 0.64755E-03 -0.18396E-03 4734 0.908E-02 0.170E-01 RMM: 5 -0.351515250216E+03 -0.71404E-04 -0.45245E-04 4508 0.574E-02 0.216E-01 RMM: 6 -0.351514943325E+03 0.30689E-03 -0.18366E-04 3880 0.358E-02 0.544E-02 RMM: 7 -0.351515025470E+03 -0.82145E-04 -0.88832E-05 3659 0.251E-02 0.129E-01 RMM: 8 -0.351514920683E+03 0.10479E-03 -0.40441E-05 3141 0.199E-02 0.333E-02 RMM: 9 -0.351514914814E+03 0.58690E-05 -0.90160E-06 2475 0.839E-03 7912 T= 6591. E= 0.69272616E+03 F= 0.63820015E+03 E0= 0.66838739E+03 EK= 0.54526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351498651472E+03 0.16269E-01 -0.18226E-01 8064 0.238E+01 0.274E-01 RMM: 2 -0.351516553264E+03 -0.17902E-01 -0.11198E-01 5001 0.748E-01 0.115E+00 RMM: 3 -0.351507272383E+03 0.92809E-02 -0.11412E-02 5526 0.228E-01 0.257E-01 RMM: 4 -0.351506928568E+03 0.34382E-03 -0.11951E-03 4689 0.763E-02 0.181E-01 RMM: 5 -0.351506823072E+03 0.10550E-03 -0.51728E-04 4573 0.629E-02 0.177E-01 RMM: 6 -0.351506685924E+03 0.13715E-03 -0.22383E-04 3889 0.394E-02 0.108E-01 RMM: 7 -0.351506713956E+03 -0.28032E-04 -0.13666E-04 3880 0.337E-02 0.131E-01 RMM: 8 -0.351506605398E+03 0.10856E-03 -0.58127E-05 3380 0.225E-02 0.356E-02 RMM: 9 -0.351506602284E+03 0.31144E-05 -0.13034E-05 2498 0.104E-02 7913 T= 6700. E= 0.69338539E+03 F= 0.63796170E+03 E0= 0.66816162E+03 EK= 0.55424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351343914613E+03 0.16269E+00 -0.18281E-01 8256 0.239E+01 0.236E-01 RMM: 2 -0.351354996909E+03 -0.11082E-01 -0.90766E-02 5265 0.644E-01 0.743E-01 RMM: 3 -0.351350475219E+03 0.45217E-02 -0.71144E-03 5688 0.174E-01 0.189E-01 RMM: 4 -0.351350563317E+03 -0.88098E-04 -0.92287E-04 4636 0.728E-02 0.258E-01 RMM: 5 -0.351350153577E+03 0.40974E-03 -0.43454E-04 4470 0.571E-02 0.113E-01 RMM: 6 -0.351350155400E+03 -0.18235E-05 -0.15193E-04 3876 0.317E-02 7914 T= 6676. E= 0.69309702E+03 F= 0.63787026E+03 E0= 0.66807738E+03 EK= 0.55227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351042327272E+03 0.30783E+00 -0.18955E-01 7932 0.237E+01 0.408E-01 RMM: 2 -0.351082048260E+03 -0.39721E-01 -0.11620E-01 4961 0.767E-01 0.219E+00 RMM: 3 -0.351050286957E+03 0.31761E-01 -0.17481E-02 5370 0.315E-01 0.369E-01 RMM: 4 -0.351049636382E+03 0.65058E-03 -0.23226E-03 5091 0.998E-02 0.228E-01 RMM: 5 -0.351049610646E+03 0.25736E-04 -0.74772E-04 4599 0.715E-02 0.251E-01 RMM: 6 -0.351049246954E+03 0.36369E-03 -0.32377E-04 3914 0.474E-02 0.102E-01 RMM: 7 -0.351049343129E+03 -0.96175E-04 -0.17161E-04 3885 0.353E-02 0.163E-01 RMM: 8 -0.351049180906E+03 0.16222E-03 -0.95835E-05 3776 0.292E-02 0.564E-02 RMM: 9 -0.351049165916E+03 0.14990E-04 -0.17149E-05 2554 0.122E-02 7915 T= 6530. E= 0.69194224E+03 F= 0.63792024E+03 E0= 0.66812702E+03 EK= 0.54022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350641409336E+03 0.40777E+00 -0.17751E-01 7848 0.234E+01 0.411E-01 RMM: 2 -0.350681580914E+03 -0.40172E-01 -0.10373E-01 5060 0.722E-01 0.226E+00 RMM: 3 -0.350648062109E+03 0.33519E-01 -0.16642E-02 5348 0.313E-01 0.393E-01 RMM: 4 -0.350647335330E+03 0.72678E-03 -0.25024E-03 5152 0.108E-01 0.242E-01 RMM: 5 -0.350647320320E+03 0.15010E-04 -0.50425E-04 4537 0.563E-02 0.243E-01 RMM: 6 -0.350646930073E+03 0.39025E-03 -0.19147E-04 3876 0.367E-02 0.600E-02 RMM: 7 -0.350646939041E+03 -0.89676E-05 -0.59163E-05 3377 0.207E-02 7916 T= 6324. E= 0.69038587E+03 F= 0.63806676E+03 E0= 0.66826756E+03 EK= 0.52319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350211706819E+03 0.43522E+00 -0.17012E-01 8004 0.231E+01 0.345E-01 RMM: 2 -0.350233927645E+03 -0.22221E-01 -0.97046E-02 5210 0.677E-01 0.152E+00 RMM: 3 -0.350218012150E+03 0.15915E-01 -0.10713E-02 5381 0.237E-01 0.239E-01 RMM: 4 -0.350218482668E+03 -0.47052E-03 -0.18741E-03 4911 0.991E-02 0.371E-01 RMM: 5 -0.350217798307E+03 0.68436E-03 -0.53166E-04 4572 0.591E-02 0.207E-01 RMM: 6 -0.350217525925E+03 0.27238E-03 -0.19813E-04 3889 0.363E-02 0.681E-02 RMM: 7 -0.350217592682E+03 -0.66757E-04 -0.11375E-04 3875 0.291E-02 0.127E-01 RMM: 8 -0.350217491195E+03 0.10149E-03 -0.49448E-05 3268 0.213E-02 0.427E-02 RMM: 9 -0.350217483851E+03 0.73445E-05 -0.13646E-05 2504 0.104E-02 7917 T= 6140. E= 0.68902634E+03 F= 0.63823541E+03 E0= 0.66842407E+03 EK= 0.50791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349842264350E+03 0.37523E+00 -0.16198E-01 7788 0.228E+01 0.330E-01 RMM: 2 -0.349860428423E+03 -0.18164E-01 -0.96251E-02 5017 0.698E-01 0.131E+00 RMM: 3 -0.349848645972E+03 0.11782E-01 -0.10659E-02 5414 0.231E-01 0.224E-01 RMM: 4 -0.349849308361E+03 -0.66239E-03 -0.17936E-03 4920 0.976E-02 0.395E-01 RMM: 5 -0.349848394234E+03 0.91413E-03 -0.50540E-04 4486 0.570E-02 0.152E-01 RMM: 6 -0.349848245629E+03 0.14860E-03 -0.13267E-04 3870 0.299E-02 0.569E-02 RMM: 7 -0.349848278373E+03 -0.32745E-04 -0.60685E-05 3403 0.210E-02 0.954E-02 RMM: 8 -0.349848219523E+03 0.58850E-04 -0.31881E-05 2934 0.180E-02 0.353E-02 RMM: 9 -0.349848213609E+03 0.59140E-05 -0.96794E-06 2474 0.884E-03 7918 T= 6044. E= 0.68834327E+03 F= 0.63833974E+03 E0= 0.66851338E+03 EK= 0.50004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349613161688E+03 0.23506E+00 -0.16118E-01 7728 0.227E+01 0.299E-01 RMM: 2 -0.349626909742E+03 -0.13748E-01 -0.10601E-01 4902 0.731E-01 0.914E-01 RMM: 3 -0.349621108160E+03 0.58016E-02 -0.11720E-02 5583 0.218E-01 0.226E-01 RMM: 4 -0.349621494233E+03 -0.38607E-03 -0.15313E-03 4854 0.918E-02 0.362E-01 RMM: 5 -0.349620784216E+03 0.71002E-03 -0.53483E-04 4504 0.590E-02 0.170E-01 RMM: 6 -0.349620616491E+03 0.16772E-03 -0.17022E-04 3882 0.341E-02 0.710E-02 RMM: 7 -0.349620662529E+03 -0.46038E-04 -0.78246E-05 3592 0.243E-02 0.112E-01 RMM: 8 -0.349620578833E+03 0.83696E-04 -0.41244E-05 3118 0.202E-02 0.382E-02 RMM: 9 -0.349620572139E+03 0.66948E-05 -0.12217E-05 2487 0.101E-02 7919 T= 6076. E= 0.68856249E+03 F= 0.63830033E+03 E0= 0.66845770E+03 EK= 0.50262E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349588189940E+03 0.32389E-01 -0.16028E-01 7788 0.228E+01 0.285E-01 RMM: 2 -0.349603283010E+03 -0.15093E-01 -0.93815E-02 4917 0.686E-01 0.109E+00 RMM: 3 -0.349595027012E+03 0.82560E-02 -0.10126E-02 5511 0.206E-01 0.213E-01 RMM: 4 -0.349595321953E+03 -0.29494E-03 -0.14525E-03 4796 0.901E-02 0.328E-01 RMM: 5 -0.349594723013E+03 0.59894E-03 -0.50273E-04 4536 0.592E-02 0.147E-01 RMM: 6 -0.349594600693E+03 0.12232E-03 -0.13201E-04 3858 0.298E-02 0.659E-02 RMM: 7 -0.349594635173E+03 -0.34480E-04 -0.70653E-05 3499 0.236E-02 0.105E-01 RMM: 8 -0.349594565726E+03 0.69448E-04 -0.33824E-05 3049 0.185E-02 0.280E-02 RMM: 9 -0.349594564571E+03 0.11545E-05 -0.85702E-06 2461 0.824E-03 7920 T= 6232. E= 0.68961091E+03 F= 0.63805951E+03 E0= 0.66820135E+03 EK= 0.51551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349789058240E+03 -0.19449E+00 -0.15787E-01 7860 0.232E+01 0.269E-01 RMM: 2 -0.349800771325E+03 -0.11713E-01 -0.74274E-02 5017 0.630E-01 0.989E-01 RMM: 3 -0.349794255837E+03 0.65155E-02 -0.79899E-03 5421 0.193E-01 0.211E-01 RMM: 4 -0.349794327546E+03 -0.71709E-04 -0.10772E-03 4645 0.763E-02 0.257E-01 RMM: 5 -0.349793999745E+03 0.32780E-03 -0.45398E-04 4542 0.572E-02 0.160E-01 RMM: 6 -0.349793876476E+03 0.12327E-03 -0.17878E-04 3896 0.351E-02 0.875E-02 RMM: 7 -0.349793905309E+03 -0.28832E-04 -0.86277E-05 3686 0.271E-02 0.116E-01 RMM: 8 -0.349793819050E+03 0.86259E-04 -0.40718E-05 3184 0.196E-02 0.279E-02 RMM: 9 -0.349793817791E+03 0.12588E-05 -0.99636E-06 2471 0.924E-03 7921 T= 6468. E= 0.69110485E+03 F= 0.63759534E+03 E0= 0.66772385E+03 EK= 0.53510E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350195888781E+03 -0.40207E+00 -0.15987E-01 8148 0.236E+01 0.238E-01 RMM: 2 -0.350205711889E+03 -0.98231E-02 -0.69369E-02 5188 0.598E-01 0.835E-01 RMM: 3 -0.350200812298E+03 0.48996E-02 -0.63422E-03 5444 0.170E-01 0.190E-01 RMM: 4 -0.350200940134E+03 -0.12784E-03 -0.95691E-04 4629 0.749E-02 0.263E-01 RMM: 5 -0.350200531697E+03 0.40844E-03 -0.47947E-04 4526 0.604E-02 0.121E-01 RMM: 6 -0.350200522871E+03 0.88259E-05 -0.15784E-04 3880 0.321E-02 7922 T= 6705. E= 0.69239033E+03 F= 0.63692589E+03 E0= 0.66704423E+03 EK= 0.55464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350753962881E+03 -0.55343E+00 -0.16983E-01 8160 0.239E+01 0.384E-01 RMM: 2 -0.350785324140E+03 -0.31361E-01 -0.98909E-02 5137 0.737E-01 0.195E+00 RMM: 3 -0.350760549585E+03 0.24775E-01 -0.14516E-02 5361 0.290E-01 0.348E-01 RMM: 4 -0.350759850371E+03 0.69921E-03 -0.18576E-03 4764 0.897E-02 0.193E-01 RMM: 5 -0.350759817152E+03 0.33219E-04 -0.76840E-04 4609 0.759E-02 0.226E-01 RMM: 6 -0.350759572501E+03 0.24465E-03 -0.43371E-04 4510 0.555E-02 0.126E-01 RMM: 7 -0.350759693947E+03 -0.12145E-03 -0.19371E-04 3893 0.375E-02 0.189E-01 RMM: 8 -0.350759473370E+03 0.22058E-03 -0.11514E-04 3804 0.325E-02 0.600E-02 RMM: 9 -0.350759457864E+03 0.15506E-04 -0.22614E-05 2670 0.141E-02 7923 T= 6845. E= 0.69273434E+03 F= 0.63610501E+03 E0= 0.66621405E+03 EK= 0.56629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351389339735E+03 -0.62987E+00 -0.17504E-01 8484 0.240E+01 0.338E-01 RMM: 2 -0.351415011982E+03 -0.25672E-01 -0.96159E-02 5182 0.687E-01 0.166E+00 RMM: 3 -0.351396259770E+03 0.18752E-01 -0.12917E-02 5353 0.272E-01 0.359E-01 RMM: 4 -0.351395546849E+03 0.71292E-03 -0.18171E-03 4814 0.923E-02 0.173E-01 RMM: 5 -0.351395531968E+03 0.14881E-04 -0.44158E-04 4475 0.564E-02 0.197E-01 RMM: 6 -0.351395291441E+03 0.24053E-03 -0.16477E-04 3881 0.342E-02 0.683E-02 RMM: 7 -0.351395375148E+03 -0.83708E-04 -0.11113E-04 3822 0.275E-02 0.134E-01 RMM: 8 -0.351395263123E+03 0.11203E-03 -0.52866E-05 3310 0.224E-02 0.402E-02 RMM: 9 -0.351395254077E+03 0.90463E-05 -0.93683E-06 2480 0.882E-03 7924 T= 6826. E= 0.69167108E+03 F= 0.63520525E+03 E0= 0.66530727E+03 EK= 0.56466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352023075597E+03 -0.62781E+00 -0.18243E-01 8400 0.238E+01 0.307E-01 RMM: 2 -0.352043428963E+03 -0.20353E-01 -0.11726E-01 5049 0.757E-01 0.130E+00 RMM: 3 -0.352031929740E+03 0.11499E-01 -0.12261E-02 5482 0.239E-01 0.256E-01 RMM: 4 -0.352031774049E+03 0.15569E-03 -0.15623E-03 4792 0.891E-02 0.257E-01 RMM: 5 -0.352031511004E+03 0.26305E-03 -0.59325E-04 4575 0.658E-02 0.200E-01 RMM: 6 -0.352031313915E+03 0.19709E-03 -0.26705E-04 3906 0.423E-02 0.111E-01 RMM: 7 -0.352031340304E+03 -0.26390E-04 -0.14307E-04 3889 0.338E-02 0.133E-01 RMM: 8 -0.352031229132E+03 0.11117E-03 -0.64417E-05 3443 0.237E-02 0.399E-02 RMM: 9 -0.352031225599E+03 0.35330E-05 -0.12920E-05 2506 0.102E-02 7925 T= 6648. E= 0.68929468E+03 F= 0.63430001E+03 E0= 0.66439494E+03 EK= 0.54995E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352598831931E+03 -0.56760E+00 -0.18054E-01 8880 0.234E+01 0.318E-01 RMM: 2 -0.352616918271E+03 -0.18086E-01 -0.11055E-01 5143 0.722E-01 0.121E+00 RMM: 3 -0.352606532329E+03 0.10386E-01 -0.11000E-02 5527 0.228E-01 0.245E-01 RMM: 4 -0.352606597568E+03 -0.65240E-04 -0.15096E-03 4719 0.889E-02 0.294E-01 RMM: 5 -0.352606168646E+03 0.42892E-03 -0.47880E-04 4477 0.565E-02 0.181E-01 RMM: 6 -0.352605986847E+03 0.18180E-03 -0.19746E-04 3885 0.365E-02 0.806E-02 RMM: 7 -0.352606070686E+03 -0.83839E-04 -0.10180E-04 3770 0.270E-02 0.143E-01 RMM: 8 -0.352605937656E+03 0.13303E-03 -0.53004E-05 3324 0.221E-02 0.312E-02 RMM: 9 -0.352605936564E+03 0.10917E-05 -0.11054E-05 2492 0.940E-03 7926 T= 6380. E= 0.68622666E+03 F= 0.63344789E+03 E0= 0.66353526E+03 EK= 0.52779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353070782385E+03 -0.46484E+00 -0.18226E-01 8544 0.229E+01 0.304E-01 RMM: 2 -0.353086887685E+03 -0.16105E-01 -0.11953E-01 5115 0.746E-01 0.997E-01 RMM: 3 -0.353079595246E+03 0.72924E-02 -0.10580E-02 5558 0.216E-01 0.239E-01 RMM: 4 -0.353079846842E+03 -0.25160E-03 -0.16313E-03 4788 0.958E-02 0.344E-01 RMM: 5 -0.353079187503E+03 0.65934E-03 -0.60426E-04 4582 0.651E-02 0.169E-01 RMM: 6 -0.353079047938E+03 0.13957E-03 -0.19274E-04 3891 0.357E-02 0.947E-02 RMM: 7 -0.353079086356E+03 -0.38418E-04 -0.99548E-05 3784 0.276E-02 0.127E-01 RMM: 8 -0.353078981800E+03 0.10456E-03 -0.48788E-05 3287 0.210E-02 0.323E-02 RMM: 9 -0.353078980950E+03 0.84955E-06 -0.11535E-05 2493 0.943E-03 7927 T= 6117. E= 0.68328988E+03 F= 0.63268797E+03 E0= 0.66276645E+03 EK= 0.50602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353419216896E+03 -0.34024E+00 -0.17230E-01 9048 0.225E+01 0.309E-01 RMM: 2 -0.353434018743E+03 -0.14802E-01 -0.10740E-01 5261 0.677E-01 0.100E+00 RMM: 3 -0.353426459106E+03 0.75596E-02 -0.86551E-03 5506 0.200E-01 0.239E-01 RMM: 4 -0.353426870073E+03 -0.41097E-03 -0.15831E-03 4724 0.946E-02 0.366E-01 RMM: 5 -0.353426117021E+03 0.75305E-03 -0.55721E-04 4509 0.611E-02 0.172E-01 RMM: 6 -0.353425953840E+03 0.16318E-03 -0.17680E-04 3885 0.342E-02 0.775E-02 RMM: 7 -0.353426003933E+03 -0.50093E-04 -0.82056E-05 3631 0.248E-02 0.123E-01 RMM: 8 -0.353425905711E+03 0.98222E-04 -0.41804E-05 3165 0.200E-02 0.269E-02 RMM: 9 -0.353425907873E+03 -0.21618E-05 -0.10473E-05 2483 0.893E-03 7928 T= 5938. E= 0.68117208E+03 F= 0.63204537E+03 E0= 0.66211294E+03 EK= 0.49127E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353622825670E+03 -0.19692E+00 -0.17970E-01 9120 0.223E+01 0.309E-01 RMM: 2 -0.353636915826E+03 -0.14090E-01 -0.10828E-01 5327 0.673E-01 0.936E-01 RMM: 3 -0.353630239320E+03 0.66765E-02 -0.85201E-03 5499 0.195E-01 0.239E-01 RMM: 4 -0.353630580821E+03 -0.34150E-03 -0.15415E-03 4693 0.935E-02 0.356E-01 RMM: 5 -0.353629871785E+03 0.70904E-03 -0.58480E-04 4565 0.635E-02 0.170E-01 RMM: 6 -0.353629717897E+03 0.15389E-03 -0.17474E-04 3887 0.338E-02 0.838E-02 RMM: 7 -0.353629762341E+03 -0.44444E-04 -0.87834E-05 3679 0.260E-02 0.124E-01 RMM: 8 -0.353629665358E+03 0.96983E-04 -0.43508E-05 3189 0.202E-02 0.324E-02 RMM: 9 -0.353629663270E+03 0.20882E-05 -0.10871E-05 2483 0.919E-03 7929 T= 5890. E= 0.68026980E+03 F= 0.63153970E+03 E0= 0.66159395E+03 EK= 0.48730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353667761381E+03 -0.38096E-01 -0.18915E-01 9108 0.224E+01 0.305E-01 RMM: 2 -0.353683174788E+03 -0.15413E-01 -0.11269E-01 5421 0.674E-01 0.994E-01 RMM: 3 -0.353675435430E+03 0.77394E-02 -0.79957E-03 5476 0.192E-01 0.224E-01 RMM: 4 -0.353675868650E+03 -0.43322E-03 -0.15020E-03 4668 0.923E-02 0.364E-01 RMM: 5 -0.353675104104E+03 0.76455E-03 -0.58246E-04 4541 0.634E-02 0.162E-01 RMM: 6 -0.353674979717E+03 0.12439E-03 -0.18683E-04 3885 0.348E-02 0.935E-02 RMM: 7 -0.353675017958E+03 -0.38241E-04 -0.94107E-05 3778 0.270E-02 0.125E-01 RMM: 8 -0.353674915636E+03 0.10232E-03 -0.44167E-05 3207 0.202E-02 0.337E-02 RMM: 9 -0.353674912928E+03 0.27079E-05 -0.11199E-05 2483 0.948E-03 7930 T= 5982. E= 0.68067453E+03 F= 0.63119002E+03 E0= 0.66122727E+03 EK= 0.49485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353538925588E+03 0.13599E+00 -0.19925E-01 9024 0.227E+01 0.298E-01 RMM: 2 -0.353554978411E+03 -0.16053E-01 -0.11777E-01 5529 0.676E-01 0.997E-01 RMM: 3 -0.353547059643E+03 0.79188E-02 -0.79842E-03 5478 0.191E-01 0.232E-01 RMM: 4 -0.353547249674E+03 -0.19003E-03 -0.14297E-03 4652 0.887E-02 0.314E-01 RMM: 5 -0.353546748580E+03 0.50109E-03 -0.56589E-04 4578 0.637E-02 0.183E-01 RMM: 6 -0.353546570485E+03 0.17809E-03 -0.19632E-04 3887 0.358E-02 0.902E-02 RMM: 7 -0.353546609771E+03 -0.39286E-04 -0.10884E-04 3850 0.293E-02 0.124E-01 RMM: 8 -0.353546512359E+03 0.97412E-04 -0.48474E-05 3265 0.209E-02 0.368E-02 RMM: 9 -0.353546507649E+03 0.47103E-05 -0.10735E-05 2487 0.929E-03 7931 T= 6185. E= 0.68218585E+03 F= 0.63101519E+03 E0= 0.66103108E+03 EK= 0.51171E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353222153503E+03 0.32436E+00 -0.21209E-01 9036 0.231E+01 0.291E-01 RMM: 2 -0.353240582334E+03 -0.18429E-01 -0.13153E-01 5443 0.722E-01 0.106E+00 RMM: 3 -0.353231598873E+03 0.89835E-02 -0.89007E-03 5506 0.200E-01 0.216E-01 RMM: 4 -0.353231844991E+03 -0.24612E-03 -0.14021E-03 4680 0.879E-02 0.322E-01 RMM: 5 -0.353231274753E+03 0.57024E-03 -0.59187E-04 4578 0.654E-02 0.163E-01 RMM: 6 -0.353231166393E+03 0.10836E-03 -0.20900E-04 3884 0.368E-02 0.107E-01 RMM: 7 -0.353231176808E+03 -0.10415E-04 -0.10199E-04 3865 0.296E-02 7932 T= 6441. E= 0.68431890E+03 F= 0.63103103E+03 E0= 0.66101973E+03 EK= 0.53288E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352716933701E+03 0.51423E+00 -0.22502E-01 8952 0.235E+01 0.299E-01 RMM: 2 -0.352733221366E+03 -0.16288E-01 -0.14032E-01 5479 0.741E-01 0.820E-01 RMM: 3 -0.352727131344E+03 0.60900E-02 -0.89923E-03 5513 0.199E-01 0.235E-01 RMM: 4 -0.352727405004E+03 -0.27366E-03 -0.15183E-03 4779 0.941E-02 0.349E-01 RMM: 5 -0.352726731373E+03 0.67363E-03 -0.74588E-04 4598 0.736E-02 0.174E-01 RMM: 6 -0.352726641533E+03 0.89840E-04 -0.25120E-04 3891 0.401E-02 0.135E-01 RMM: 7 -0.352726607946E+03 0.33587E-04 -0.15357E-04 3876 0.373E-02 0.122E-01 RMM: 8 -0.352726515803E+03 0.92142E-04 -0.51344E-05 3288 0.216E-02 0.412E-02 RMM: 9 -0.352726515927E+03 -0.12302E-06 -0.16698E-05 2531 0.115E-02 7933 T= 6664. E= 0.68637346E+03 F= 0.63124062E+03 E0= 0.66119649E+03 EK= 0.55133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352042471851E+03 0.68404E+00 -0.23066E-01 8928 0.238E+01 0.255E-01 RMM: 2 -0.352061459835E+03 -0.18988E-01 -0.14691E-01 5430 0.751E-01 0.959E-01 RMM: 3 -0.352053329700E+03 0.81301E-02 -0.92624E-03 5553 0.202E-01 0.183E-01 RMM: 4 -0.352053516065E+03 -0.18637E-03 -0.12014E-03 4675 0.813E-02 0.283E-01 RMM: 5 -0.352053059479E+03 0.45659E-03 -0.45796E-04 4541 0.580E-02 0.133E-01 RMM: 6 -0.352052992685E+03 0.66794E-04 -0.16993E-04 3882 0.334E-02 0.950E-02 RMM: 7 -0.352053014424E+03 -0.21739E-04 -0.77445E-05 3580 0.254E-02 0.114E-01 RMM: 8 -0.352052929805E+03 0.84619E-04 -0.37114E-05 3096 0.190E-02 0.263E-02 RMM: 9 -0.352052928018E+03 0.17869E-05 -0.71709E-06 2458 0.747E-03 7934 T= 6773. E= 0.68765085E+03 F= 0.63162229E+03 E0= 0.66153988E+03 EK= 0.56029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351246167254E+03 0.80676E+00 -0.22989E-01 8856 0.238E+01 0.298E-01 RMM: 2 -0.351262185855E+03 -0.16019E-01 -0.14808E-01 5578 0.755E-01 0.721E-01 RMM: 3 -0.351256921874E+03 0.52640E-02 -0.92708E-03 5498 0.204E-01 0.237E-01 RMM: 4 -0.351257246155E+03 -0.32428E-03 -0.15492E-03 4806 0.960E-02 0.353E-01 RMM: 5 -0.351256465816E+03 0.78034E-03 -0.67258E-04 4596 0.681E-02 0.135E-01 RMM: 6 -0.351256449239E+03 0.16577E-04 -0.21982E-04 3894 0.380E-02 0.131E-01 RMM: 7 -0.351256429942E+03 0.19297E-04 -0.10777E-04 3825 0.308E-02 7935 T= 6727. E= 0.68777602E+03 F= 0.63212752E+03 E0= 0.66200284E+03 EK= 0.55648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350391036933E+03 0.86541E+00 -0.23000E-01 8772 0.236E+01 0.338E-01 RMM: 2 -0.350409859921E+03 -0.18823E-01 -0.15318E-01 5371 0.793E-01 0.976E-01 RMM: 3 -0.350402289575E+03 0.75703E-02 -0.10926E-02 5561 0.220E-01 0.286E-01 RMM: 4 -0.350402551668E+03 -0.26209E-03 -0.17535E-03 4945 0.100E-01 0.378E-01 RMM: 5 -0.350401736958E+03 0.81471E-03 -0.79212E-04 4607 0.744E-02 0.180E-01 RMM: 6 -0.350401595419E+03 0.14154E-03 -0.27608E-04 3893 0.429E-02 0.112E-01 RMM: 7 -0.350401637090E+03 -0.41672E-04 -0.14026E-04 3877 0.343E-02 0.142E-01 RMM: 8 -0.350401509185E+03 0.12791E-03 -0.59714E-05 3410 0.231E-02 0.435E-02 RMM: 9 -0.350401504952E+03 0.42329E-05 -0.18126E-05 2548 0.121E-02 7936 T= 6552. E= 0.68689364E+03 F= 0.63268904E+03 E0= 0.66252140E+03 EK= 0.54205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349549214219E+03 0.85229E+00 -0.21853E-01 8784 0.232E+01 0.287E-01 RMM: 2 -0.349566747261E+03 -0.17533E-01 -0.14550E-01 5436 0.768E-01 0.876E-01 RMM: 3 -0.349560122318E+03 0.66249E-02 -0.10051E-02 5512 0.215E-01 0.197E-01 RMM: 4 -0.349560663137E+03 -0.54082E-03 -0.13354E-03 4753 0.859E-02 0.365E-01 RMM: 5 -0.349559819429E+03 0.84371E-03 -0.48201E-04 4556 0.580E-02 0.117E-01 RMM: 6 -0.349559757141E+03 0.62288E-04 -0.14167E-04 3880 0.306E-02 0.728E-02 RMM: 7 -0.349559758820E+03 -0.16789E-05 -0.52226E-05 3311 0.218E-02 7937 T= 6325. E= 0.68555730E+03 F= 0.63323322E+03 E0= 0.66302374E+03 EK= 0.52324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348777431067E+03 0.78233E+00 -0.21436E-01 8976 0.229E+01 0.346E-01 RMM: 2 -0.348793321030E+03 -0.15890E-01 -0.13631E-01 5406 0.756E-01 0.886E-01 RMM: 3 -0.348787098483E+03 0.62225E-02 -0.97168E-03 5563 0.204E-01 0.270E-01 RMM: 4 -0.348787879987E+03 -0.78150E-03 -0.19443E-03 4959 0.108E-01 0.461E-01 RMM: 5 -0.348786583669E+03 0.12963E-02 -0.86012E-04 4596 0.776E-02 0.165E-01 RMM: 6 -0.348786455210E+03 0.12846E-03 -0.20625E-04 3884 0.365E-02 0.100E-01 RMM: 7 -0.348786492031E+03 -0.36821E-04 -0.11236E-04 3879 0.306E-02 0.132E-01 RMM: 8 -0.348786378930E+03 0.11310E-03 -0.46938E-05 3243 0.208E-02 0.364E-02 RMM: 9 -0.348786380189E+03 -0.12588E-05 -0.18110E-05 2525 0.121E-02 7938 T= 6131. E= 0.68442678E+03 F= 0.63370439E+03 E0= 0.66345503E+03 EK= 0.50722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348102596196E+03 0.68378E+00 -0.20906E-01 8844 0.227E+01 0.291E-01 RMM: 2 -0.348117141581E+03 -0.14545E-01 -0.12626E-01 5153 0.734E-01 0.792E-01 RMM: 3 -0.348111874156E+03 0.52674E-02 -0.98850E-03 5681 0.203E-01 0.214E-01 RMM: 4 -0.348112274382E+03 -0.40023E-03 -0.14223E-03 4758 0.909E-02 0.355E-01 RMM: 5 -0.348111565790E+03 0.70859E-03 -0.56901E-04 4594 0.632E-02 0.161E-01 RMM: 6 -0.348111409791E+03 0.15600E-03 -0.14677E-04 3880 0.314E-02 0.608E-02 RMM: 7 -0.348111463534E+03 -0.53743E-04 -0.63317E-05 3456 0.227E-02 0.112E-01 RMM: 8 -0.348111379450E+03 0.84085E-04 -0.33255E-05 3017 0.183E-02 0.283E-02 RMM: 9 -0.348111376732E+03 0.27181E-05 -0.79373E-06 2464 0.801E-03 7939 T= 6035. E= 0.68400355E+03 F= 0.63407380E+03 E0= 0.66378822E+03 EK= 0.49930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347526734181E+03 0.58465E+00 -0.20885E-01 8856 0.228E+01 0.321E-01 RMM: 2 -0.347543559696E+03 -0.16826E-01 -0.11918E-01 5273 0.721E-01 0.105E+00 RMM: 3 -0.347535033551E+03 0.85261E-02 -0.94793E-03 5562 0.204E-01 0.186E-01 RMM: 4 -0.347535828414E+03 -0.79486E-03 -0.16531E-03 4816 0.100E-01 0.418E-01 RMM: 5 -0.347534720487E+03 0.11079E-02 -0.65582E-04 4608 0.673E-02 0.128E-01 RMM: 6 -0.347534677215E+03 0.43272E-04 -0.16728E-04 3881 0.322E-02 0.106E-01 RMM: 7 -0.347534662579E+03 0.14636E-04 -0.86949E-05 3743 0.280E-02 7940 T= 6065. E= 0.68451867E+03 F= 0.63434401E+03 E0= 0.66402552E+03 EK= 0.50175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347023503068E+03 0.51117E+00 -0.20916E-01 8904 0.230E+01 0.318E-01 RMM: 2 -0.347035521244E+03 -0.12018E-01 -0.11170E-01 5284 0.705E-01 0.723E-01 RMM: 3 -0.347031401362E+03 0.41199E-02 -0.89398E-03 5779 0.193E-01 0.228E-01 RMM: 4 -0.347032058086E+03 -0.65672E-03 -0.13881E-03 4694 0.907E-02 0.424E-01 RMM: 5 -0.347030906714E+03 0.11514E-02 -0.73609E-04 4596 0.719E-02 0.116E-01 RMM: 6 -0.347030932357E+03 -0.25643E-04 -0.23100E-04 3894 0.389E-02 0.138E-01 RMM: 7 -0.347030872498E+03 0.59859E-04 -0.10527E-04 3867 0.314E-02 0.109E-01 RMM: 8 -0.347030793840E+03 0.78658E-04 -0.41460E-05 3159 0.190E-02 0.336E-02 RMM: 9 -0.347030800527E+03 -0.66871E-05 -0.19509E-05 2541 0.129E-02 7941 T= 6209. E= 0.68590965E+03 F= 0.63454326E+03 E0= 0.66419456E+03 EK= 0.51366E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346552225820E+03 0.47857E+00 -0.20970E-01 8760 0.234E+01 0.257E-01 RMM: 2 -0.346566596604E+03 -0.14371E-01 -0.11409E-01 5209 0.716E-01 0.859E-01 RMM: 3 -0.346560809029E+03 0.57876E-02 -0.96118E-03 5895 0.189E-01 0.164E-01 RMM: 4 -0.346560986723E+03 -0.17769E-03 -0.10818E-03 4684 0.807E-02 0.286E-01 RMM: 5 -0.346560507106E+03 0.47962E-03 -0.45694E-04 4548 0.578E-02 0.128E-01 RMM: 6 -0.346560443155E+03 0.63951E-04 -0.15831E-04 3881 0.327E-02 0.882E-02 RMM: 7 -0.346560461307E+03 -0.18151E-04 -0.66686E-05 3501 0.241E-02 7942 T= 6421. E= 0.68782952E+03 F= 0.63471298E+03 E0= 0.66433740E+03 EK= 0.53117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346077425241E+03 0.48302E+00 -0.21349E-01 8868 0.239E+01 0.315E-01 RMM: 2 -0.346089193717E+03 -0.11768E-01 -0.11486E-01 5234 0.726E-01 0.673E-01 RMM: 3 -0.346085772483E+03 0.34212E-02 -0.10042E-02 5996 0.190E-01 0.226E-01 RMM: 4 -0.346086265511E+03 -0.49303E-03 -0.13043E-03 4676 0.898E-02 0.409E-01 RMM: 5 -0.346085167766E+03 0.10977E-02 -0.78201E-04 4611 0.745E-02 0.118E-01 RMM: 6 -0.346085246480E+03 -0.78714E-04 -0.29570E-04 3924 0.443E-02 0.167E-01 RMM: 7 -0.346085118337E+03 0.12814E-03 -0.13597E-04 3877 0.356E-02 0.104E-01 RMM: 8 -0.346085052244E+03 0.66093E-04 -0.36176E-05 3055 0.179E-02 0.394E-02 RMM: 9 -0.346085054651E+03 -0.24079E-05 -0.19644E-05 2527 0.128E-02 7943 T= 6626. E= 0.68970412E+03 F= 0.63489235E+03 E0= 0.66449089E+03 EK= 0.54812E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345575118328E+03 0.50993E+00 -0.22686E-01 8100 0.242E+01 0.272E-01 RMM: 2 -0.345593118966E+03 -0.18001E-01 -0.14525E-01 5018 0.839E-01 0.913E-01 RMM: 3 -0.345586728400E+03 0.63906E-02 -0.13982E-02 5940 0.222E-01 0.191E-01 RMM: 4 -0.345586739936E+03 -0.11535E-04 -0.12411E-03 4820 0.859E-02 0.282E-01 RMM: 5 -0.345586297023E+03 0.44291E-03 -0.45718E-04 4543 0.572E-02 0.144E-01 RMM: 6 -0.345586195597E+03 0.10143E-03 -0.17020E-04 3884 0.341E-02 0.833E-02 RMM: 7 -0.345586237496E+03 -0.41898E-04 -0.77105E-05 3568 0.248E-02 0.118E-01 RMM: 8 -0.345586145861E+03 0.91635E-04 -0.37652E-05 3078 0.194E-02 0.309E-02 RMM: 9 -0.345586142009E+03 0.38518E-05 -0.89896E-06 2467 0.837E-03 7944 T= 6746. E= 0.69090518E+03 F= 0.63509874E+03 E0= 0.66467357E+03 EK= 0.55806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345071945016E+03 0.51420E+00 -0.21332E-01 8448 0.243E+01 0.322E-01 RMM: 2 -0.345087387585E+03 -0.15443E-01 -0.11530E-01 5230 0.744E-01 0.101E+00 RMM: 3 -0.345080275782E+03 0.71118E-02 -0.10052E-02 5747 0.205E-01 0.220E-01 RMM: 4 -0.345080795301E+03 -0.51952E-03 -0.15974E-03 4817 0.981E-02 0.386E-01 RMM: 5 -0.345079883666E+03 0.91164E-03 -0.64639E-04 4602 0.667E-02 0.162E-01 RMM: 6 -0.345079775423E+03 0.10824E-03 -0.22384E-04 3899 0.383E-02 0.110E-01 RMM: 7 -0.345079815830E+03 -0.40407E-04 -0.11653E-04 3855 0.305E-02 0.142E-01 RMM: 8 -0.345079685918E+03 0.12991E-03 -0.56280E-05 3362 0.222E-02 0.348E-02 RMM: 9 -0.345079684299E+03 0.16195E-05 -0.14145E-05 2506 0.107E-02 7945 T= 6735. E= 0.69103064E+03 F= 0.63531387E+03 E0= 0.66486632E+03 EK= 0.55717E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344606165730E+03 0.47352E+00 -0.20121E-01 8304 0.241E+01 0.325E-01 RMM: 2 -0.344624664115E+03 -0.18498E-01 -0.11448E-01 5090 0.745E-01 0.119E+00 RMM: 3 -0.344614531794E+03 0.10132E-01 -0.10947E-02 5464 0.223E-01 0.248E-01 RMM: 4 -0.344614797975E+03 -0.26618E-03 -0.17758E-03 4922 0.996E-02 0.340E-01 RMM: 5 -0.344614201908E+03 0.59607E-03 -0.58970E-04 4604 0.637E-02 0.191E-01 RMM: 6 -0.344613985114E+03 0.21679E-03 -0.20486E-04 3891 0.367E-02 0.793E-02 RMM: 7 -0.344614048468E+03 -0.63354E-04 -0.11430E-04 3841 0.291E-02 0.128E-01 RMM: 8 -0.344613940010E+03 0.10846E-03 -0.54675E-05 3339 0.224E-02 0.401E-02 RMM: 9 -0.344613932400E+03 0.76098E-05 -0.12230E-05 2496 0.100E-02 7946 T= 6603. E= 0.69011053E+03 F= 0.63548671E+03 E0= 0.66501727E+03 EK= 0.54624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344238651566E+03 0.37529E+00 -0.19620E-01 8232 0.238E+01 0.333E-01 RMM: 2 -0.344255571778E+03 -0.16920E-01 -0.10809E-01 5073 0.738E-01 0.117E+00 RMM: 3 -0.344246221737E+03 0.93500E-02 -0.10501E-02 5543 0.218E-01 0.206E-01 RMM: 4 -0.344246962112E+03 -0.74038E-03 -0.17661E-03 4938 0.102E-01 0.412E-01 RMM: 5 -0.344245912479E+03 0.10496E-02 -0.62028E-04 4593 0.653E-02 0.152E-01 RMM: 6 -0.344245803147E+03 0.10933E-03 -0.17752E-04 3876 0.338E-02 0.915E-02 RMM: 7 -0.344245817639E+03 -0.14491E-04 -0.85407E-05 3718 0.264E-02 7947 T= 6408. E= 0.68857304E+03 F= 0.63555806E+03 E0= 0.66506685E+03 EK= 0.53015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344012704648E+03 0.23310E+00 -0.19058E-01 8340 0.235E+01 0.324E-01 RMM: 2 -0.344023769866E+03 -0.11065E-01 -0.96354E-02 5123 0.687E-01 0.772E-01 RMM: 3 -0.344019590291E+03 0.41796E-02 -0.87162E-03 5490 0.196E-01 0.279E-01 RMM: 4 -0.344020067068E+03 -0.47678E-03 -0.16875E-03 4874 0.101E-01 0.404E-01 RMM: 5 -0.344019002378E+03 0.10647E-02 -0.77059E-04 4601 0.733E-02 0.127E-01 RMM: 6 -0.344018988210E+03 0.14169E-04 -0.20407E-04 3887 0.363E-02 0.127E-01 RMM: 7 -0.344018966905E+03 0.21305E-04 -0.10932E-04 3843 0.298E-02 0.119E-01 RMM: 8 -0.344018870748E+03 0.96157E-04 -0.54118E-05 3334 0.217E-02 0.320E-02 RMM: 9 -0.344018874040E+03 -0.32924E-05 -0.16897E-05 2540 0.117E-02 7948 T= 6228. E= 0.68700307E+03 F= 0.63548335E+03 E0= 0.66497058E+03 EK= 0.51520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343942524716E+03 0.76346E-01 -0.18915E-01 8436 0.232E+01 0.290E-01 RMM: 2 -0.343956102555E+03 -0.13578E-01 -0.10072E-01 4979 0.712E-01 0.930E-01 RMM: 3 -0.343949904357E+03 0.61982E-02 -0.98951E-03 5584 0.205E-01 0.187E-01 RMM: 4 -0.343950339775E+03 -0.43542E-03 -0.13973E-03 4794 0.909E-02 0.348E-01 RMM: 5 -0.343949595995E+03 0.74378E-03 -0.54092E-04 4592 0.618E-02 0.134E-01 RMM: 6 -0.343949525026E+03 0.70970E-04 -0.17805E-04 3895 0.347E-02 0.915E-02 RMM: 7 -0.343949551535E+03 -0.26509E-04 -0.73390E-05 3561 0.245E-02 0.114E-01 RMM: 8 -0.343949465796E+03 0.85739E-04 -0.37861E-05 3088 0.192E-02 0.287E-02 RMM: 9 -0.343949462712E+03 0.30831E-05 -0.81163E-06 2466 0.805E-03 7949 T= 6122. E= 0.68588985E+03 F= 0.63524665E+03 E0= 0.66471152E+03 EK= 0.50643E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344015129335E+03 -0.65664E-01 -0.18706E-01 8808 0.232E+01 0.298E-01 RMM: 2 -0.344025986233E+03 -0.10857E-01 -0.96234E-02 5204 0.685E-01 0.735E-01 RMM: 3 -0.344022092458E+03 0.38938E-02 -0.81490E-03 5597 0.180E-01 0.222E-01 RMM: 4 -0.344022570227E+03 -0.47777E-03 -0.14130E-03 4762 0.941E-02 0.385E-01 RMM: 5 -0.344021632393E+03 0.93783E-03 -0.69124E-04 4600 0.704E-02 0.132E-01 RMM: 6 -0.344021632115E+03 0.27767E-06 -0.24069E-04 3893 0.394E-02 0.138E-01 RMM: 7 -0.344021570878E+03 0.61237E-04 -0.10432E-04 3811 0.311E-02 0.107E-01 RMM: 8 -0.344021495339E+03 0.75539E-04 -0.36483E-05 3100 0.181E-02 0.301E-02 RMM: 9 -0.344021499286E+03 -0.39471E-05 -0.19172E-05 2514 0.126E-02 7950 T= 6120. E= 0.68549428E+03 F= 0.63486569E+03 E0= 0.66430809E+03 EK= 0.50629E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344185312586E+03 -0.16382E+00 -0.18890E-01 8760 0.233E+01 0.277E-01 RMM: 2 -0.344197413343E+03 -0.12101E-01 -0.99334E-02 5224 0.705E-01 0.810E-01 RMM: 3 -0.344192768843E+03 0.46445E-02 -0.89119E-03 5691 0.187E-01 0.193E-01 RMM: 4 -0.344192940868E+03 -0.17203E-03 -0.11887E-03 4668 0.850E-02 0.308E-01 RMM: 5 -0.344192329069E+03 0.61180E-03 -0.61198E-04 4604 0.674E-02 0.105E-01 RMM: 6 -0.344192413300E+03 -0.84232E-04 -0.23475E-04 3891 0.395E-02 0.157E-01 RMM: 7 -0.344192309555E+03 0.10374E-03 -0.92380E-05 3721 0.294E-02 0.101E-01 RMM: 8 -0.344192241488E+03 0.68067E-04 -0.31606E-05 2972 0.168E-02 0.286E-02 RMM: 9 -0.344192243334E+03 -0.18457E-05 -0.14334E-05 2479 0.109E-02 7951 T= 6217. E= 0.68581568E+03 F= 0.63438541E+03 E0= 0.66380503E+03 EK= 0.51430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344390099639E+03 -0.19786E+00 -0.19502E-01 8904 0.236E+01 0.275E-01 RMM: 2 -0.344402197231E+03 -0.12098E-01 -0.10266E-01 5278 0.709E-01 0.786E-01 RMM: 3 -0.344397778287E+03 0.44189E-02 -0.86299E-03 5810 0.179E-01 0.200E-01 RMM: 4 -0.344397933666E+03 -0.15538E-03 -0.11460E-03 4667 0.857E-02 0.312E-01 RMM: 5 -0.344397322374E+03 0.61129E-03 -0.62922E-04 4603 0.681E-02 0.132E-01 RMM: 6 -0.344397365183E+03 -0.42809E-04 -0.26881E-04 3903 0.420E-02 0.157E-01 RMM: 7 -0.344397285469E+03 0.79714E-04 -0.11316E-04 3830 0.323E-02 0.118E-01 RMM: 8 -0.344397192850E+03 0.92619E-04 -0.41910E-05 3165 0.191E-02 0.323E-02 RMM: 9 -0.344397195826E+03 -0.29761E-05 -0.16717E-05 2522 0.117E-02 7952 T= 6375. E= 0.68660978E+03 F= 0.63387210E+03 E0= 0.66326930E+03 EK= 0.52738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344554566522E+03 -0.15737E+00 -0.20181E-01 8784 0.239E+01 0.265E-01 RMM: 2 -0.344566599538E+03 -0.12033E-01 -0.10359E-01 5285 0.711E-01 0.749E-01 RMM: 3 -0.344562379147E+03 0.42204E-02 -0.86347E-03 5801 0.180E-01 0.196E-01 RMM: 4 -0.344562476486E+03 -0.97339E-04 -0.10730E-03 4672 0.822E-02 0.293E-01 RMM: 5 -0.344561951270E+03 0.52522E-03 -0.56675E-04 4597 0.647E-02 0.132E-01 RMM: 6 -0.344561985051E+03 -0.33781E-04 -0.25699E-04 3900 0.412E-02 0.153E-01 RMM: 7 -0.344561917226E+03 0.67825E-04 -0.11340E-04 3833 0.322E-02 0.120E-01 RMM: 8 -0.344561821281E+03 0.95945E-04 -0.42534E-05 3176 0.193E-02 0.299E-02 RMM: 9 -0.344561824694E+03 -0.34122E-05 -0.16148E-05 2508 0.113E-02 7953 T= 6533. E= 0.68745004E+03 F= 0.63340108E+03 E0= 0.66277727E+03 EK= 0.54049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344611133180E+03 -0.49312E-01 -0.20609E-01 8736 0.242E+01 0.277E-01 RMM: 2 -0.344623580779E+03 -0.12448E-01 -0.10088E-01 5385 0.695E-01 0.833E-01 RMM: 3 -0.344618437289E+03 0.51435E-02 -0.76634E-03 5759 0.177E-01 0.212E-01 RMM: 4 -0.344618564256E+03 -0.12697E-03 -0.11507E-03 4639 0.840E-02 0.298E-01 RMM: 5 -0.344618036374E+03 0.52788E-03 -0.60270E-04 4596 0.671E-02 0.149E-01 RMM: 6 -0.344617992405E+03 0.43969E-04 -0.21656E-04 3893 0.376E-02 0.129E-01 RMM: 7 -0.344617975027E+03 0.17378E-04 -0.11334E-04 3830 0.311E-02 7954 T= 6628. E= 0.68787205E+03 F= 0.63303996E+03 E0= 0.66239790E+03 EK= 0.54832E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344513200279E+03 0.10479E+00 -0.20781E-01 8712 0.243E+01 0.325E-01 RMM: 2 -0.344524675076E+03 -0.11475E-01 -0.10155E-01 5346 0.700E-01 0.782E-01 RMM: 3 -0.344520194331E+03 0.44807E-02 -0.82021E-03 5651 0.189E-01 0.259E-01 RMM: 4 -0.344520655666E+03 -0.46133E-03 -0.15354E-03 4766 0.976E-02 0.401E-01 RMM: 5 -0.344519615319E+03 0.10403E-02 -0.77125E-04 4593 0.732E-02 0.133E-01 RMM: 6 -0.344519673288E+03 -0.57969E-04 -0.25004E-04 3890 0.402E-02 0.168E-01 RMM: 7 -0.344519560961E+03 0.11233E-03 -0.12687E-04 3871 0.340E-02 0.114E-01 RMM: 8 -0.344519476300E+03 0.84661E-04 -0.50512E-05 3308 0.206E-02 0.347E-02 RMM: 9 -0.344519489723E+03 -0.13423E-04 -0.21519E-05 2573 0.131E-02 7955 T= 6618. E= 0.68758262E+03 F= 0.63283336E+03 E0= 0.66217649E+03 EK= 0.54749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344248045856E+03 0.27143E+00 -0.20613E-01 8532 0.242E+01 0.278E-01 RMM: 2 -0.344261627959E+03 -0.13582E-01 -0.11215E-01 5129 0.748E-01 0.830E-01 RMM: 3 -0.344256373834E+03 0.52541E-02 -0.10587E-02 5659 0.214E-01 0.224E-01 RMM: 4 -0.344256543688E+03 -0.16985E-03 -0.12407E-03 4811 0.851E-02 0.302E-01 RMM: 5 -0.344256004754E+03 0.53893E-03 -0.43608E-04 4438 0.553E-02 0.147E-01 RMM: 6 -0.344255885445E+03 0.11931E-03 -0.14947E-04 3885 0.325E-02 0.697E-02 RMM: 7 -0.344255941675E+03 -0.56231E-04 -0.69956E-05 3513 0.231E-02 0.119E-01 RMM: 8 -0.344255848385E+03 0.93291E-04 -0.37750E-05 3085 0.196E-02 0.230E-02 RMM: 9 -0.344255849417E+03 -0.10327E-05 -0.90764E-06 2474 0.828E-03 7956 T= 6507. E= 0.68661772E+03 F= 0.63278987E+03 E0= 0.66212378E+03 EK= 0.53828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343847701015E+03 0.40815E+00 -0.19383E-01 8628 0.239E+01 0.335E-01 RMM: 2 -0.343858765888E+03 -0.11065E-01 -0.10279E-01 5250 0.720E-01 0.740E-01 RMM: 3 -0.343854775820E+03 0.39901E-02 -0.94416E-03 5528 0.205E-01 0.273E-01 RMM: 4 -0.343855482115E+03 -0.70630E-03 -0.16839E-03 4946 0.102E-01 0.446E-01 RMM: 5 -0.343854192677E+03 0.12894E-02 -0.72563E-04 4585 0.709E-02 0.133E-01 RMM: 6 -0.343854144443E+03 0.48233E-04 -0.17655E-04 3892 0.341E-02 0.111E-01 RMM: 7 -0.343854140292E+03 0.41514E-05 -0.89636E-05 3742 0.272E-02 7957 T= 6339. E= 0.68532526E+03 F= 0.63288096E+03 E0= 0.66221312E+03 EK= 0.52444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343357699816E+03 0.49644E+00 -0.18286E-01 8364 0.237E+01 0.350E-01 RMM: 2 -0.343369238832E+03 -0.11539E-01 -0.97451E-02 5097 0.718E-01 0.836E-01 RMM: 3 -0.343364351738E+03 0.48871E-02 -0.10594E-02 5473 0.222E-01 0.288E-01 RMM: 4 -0.343365050605E+03 -0.69887E-03 -0.17377E-03 5020 0.102E-01 0.440E-01 RMM: 5 -0.343363762307E+03 0.12883E-02 -0.69162E-04 4607 0.689E-02 0.144E-01 RMM: 6 -0.343363696330E+03 0.65977E-04 -0.18066E-04 3882 0.341E-02 0.112E-01 RMM: 7 -0.343363715464E+03 -0.19134E-04 -0.11225E-04 3827 0.291E-02 7958 T= 6181. E= 0.68419041E+03 F= 0.63305699E+03 E0= 0.66239518E+03 EK= 0.51133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342827889352E+03 0.53581E+00 -0.17422E-01 8412 0.234E+01 0.321E-01 RMM: 2 -0.342838058197E+03 -0.10169E-01 -0.85352E-02 4992 0.682E-01 0.792E-01 RMM: 3 -0.342833741743E+03 0.43165E-02 -0.93924E-03 5457 0.205E-01 0.248E-01 RMM: 4 -0.342834483663E+03 -0.74192E-03 -0.15107E-03 4878 0.950E-02 0.434E-01 RMM: 5 -0.342833322322E+03 0.11613E-02 -0.66061E-04 4593 0.685E-02 0.149E-01 RMM: 6 -0.342833215675E+03 0.10665E-03 -0.19944E-04 3903 0.365E-02 0.876E-02 RMM: 7 -0.342833247155E+03 -0.31480E-04 -0.74411E-05 3573 0.254E-02 0.116E-01 RMM: 8 -0.342833155810E+03 0.91345E-04 -0.33225E-05 3009 0.181E-02 0.284E-02 RMM: 9 -0.342833158644E+03 -0.28342E-05 -0.14926E-05 2497 0.108E-02 7959 T= 6088. E= 0.68363321E+03 F= 0.63327044E+03 E0= 0.66262136E+03 EK= 0.50363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342290485899E+03 0.54267E+00 -0.17082E-01 8100 0.234E+01 0.279E-01 RMM: 2 -0.342299025431E+03 -0.85395E-02 -0.77095E-02 5080 0.636E-01 0.672E-01 RMM: 3 -0.342295810872E+03 0.32146E-02 -0.77733E-03 5484 0.180E-01 0.217E-01 RMM: 4 -0.342296436648E+03 -0.62578E-03 -0.12856E-03 4773 0.909E-02 0.391E-01 RMM: 5 -0.342295457569E+03 0.97908E-03 -0.54541E-04 4586 0.623E-02 0.115E-01 RMM: 6 -0.342295417108E+03 0.40462E-04 -0.16540E-04 3876 0.333E-02 0.905E-02 RMM: 7 -0.342295421969E+03 -0.48617E-05 -0.58178E-05 3405 0.232E-02 7960 T= 6091. E= 0.68388194E+03 F= 0.63349054E+03 E0= 0.66286087E+03 EK= 0.50391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341757506749E+03 0.53791E+00 -0.17052E-01 8160 0.236E+01 0.322E-01 RMM: 2 -0.341766004868E+03 -0.84981E-02 -0.71844E-02 5235 0.622E-01 0.776E-01 RMM: 3 -0.341761978769E+03 0.40261E-02 -0.70481E-03 5553 0.171E-01 0.236E-01 RMM: 4 -0.341762577751E+03 -0.59898E-03 -0.14251E-03 4677 0.951E-02 0.413E-01 RMM: 5 -0.341761478741E+03 0.10990E-02 -0.82213E-04 4614 0.776E-02 0.127E-01 RMM: 6 -0.341761547587E+03 -0.68846E-04 -0.25296E-04 3888 0.409E-02 0.169E-01 RMM: 7 -0.341761423815E+03 0.12377E-03 -0.12475E-04 3868 0.351E-02 0.109E-01 RMM: 8 -0.341761346714E+03 0.77101E-04 -0.40908E-05 3149 0.190E-02 0.351E-02 RMM: 9 -0.341761355350E+03 -0.86356E-05 -0.21605E-05 2562 0.134E-02 7961 T= 6192. E= 0.68493201E+03 F= 0.63370904E+03 E0= 0.66310269E+03 EK= 0.51223E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341226264989E+03 0.53508E+00 -0.18151E-01 8268 0.238E+01 0.255E-01 RMM: 2 -0.341236878698E+03 -0.10614E-01 -0.86864E-02 5147 0.676E-01 0.768E-01 RMM: 3 -0.341232660896E+03 0.42178E-02 -0.86440E-03 5712 0.181E-01 0.194E-01 RMM: 4 -0.341232723752E+03 -0.62856E-04 -0.10065E-03 4657 0.790E-02 0.274E-01 RMM: 5 -0.341232292706E+03 0.43105E-03 -0.51666E-04 4592 0.630E-02 0.138E-01 RMM: 6 -0.341232253878E+03 0.38829E-04 -0.21051E-04 3883 0.378E-02 0.117E-01 RMM: 7 -0.341232242034E+03 0.11844E-04 -0.85827E-05 3683 0.282E-02 7962 T= 6360. E= 0.68654032E+03 F= 0.63392679E+03 E0= 0.66334457E+03 EK= 0.52614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340709295535E+03 0.52296E+00 -0.18508E-01 8388 0.242E+01 0.331E-01 RMM: 2 -0.340721716595E+03 -0.12421E-01 -0.92717E-02 5269 0.705E-01 0.961E-01 RMM: 3 -0.340715541896E+03 0.61747E-02 -0.92258E-03 5657 0.194E-01 0.246E-01 RMM: 4 -0.340715737697E+03 -0.19580E-03 -0.14234E-03 4671 0.932E-02 0.355E-01 RMM: 5 -0.340714909394E+03 0.82830E-03 -0.91601E-04 4616 0.835E-02 0.136E-01 RMM: 6 -0.340715072676E+03 -0.16328E-03 -0.32494E-04 3941 0.466E-02 0.209E-01 RMM: 7 -0.340714853999E+03 0.21868E-03 -0.16794E-04 3884 0.400E-02 0.119E-01 RMM: 8 -0.340714765770E+03 0.88229E-04 -0.56408E-05 3361 0.215E-02 0.399E-02 RMM: 9 -0.340714775042E+03 -0.92724E-05 -0.22395E-05 2570 0.135E-02 7963 T= 6542. E= 0.68826060E+03 F= 0.63413801E+03 E0= 0.66357862E+03 EK= 0.54123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340222628015E+03 0.49214E+00 -0.19139E-01 8580 0.244E+01 0.257E-01 RMM: 2 -0.340236169742E+03 -0.13542E-01 -0.96984E-02 5202 0.713E-01 0.943E-01 RMM: 3 -0.340230082975E+03 0.60868E-02 -0.98216E-03 5689 0.194E-01 0.197E-01 RMM: 4 -0.340230047700E+03 0.35275E-04 -0.98320E-04 4647 0.750E-02 0.249E-01 RMM: 5 -0.340229641425E+03 0.40627E-03 -0.45207E-04 4562 0.589E-02 0.111E-01 RMM: 6 -0.340229684617E+03 -0.43192E-04 -0.22850E-04 3895 0.390E-02 0.141E-01 RMM: 7 -0.340229631108E+03 0.53510E-04 -0.91152E-05 3704 0.284E-02 0.113E-01 RMM: 8 -0.340229546058E+03 0.85050E-04 -0.37480E-05 3080 0.184E-02 0.285E-02 RMM: 9 -0.340229543914E+03 0.21438E-05 -0.91724E-06 2472 0.843E-03 7964 T= 6677. E= 0.68955561E+03 F= 0.63432161E+03 E0= 0.66377971E+03 EK= 0.55234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339802827552E+03 0.42672E+00 -0.19836E-01 8484 0.245E+01 0.301E-01 RMM: 2 -0.339814387191E+03 -0.11560E-01 -0.94489E-02 5243 0.695E-01 0.851E-01 RMM: 3 -0.339809468133E+03 0.49191E-02 -0.89647E-03 5771 0.183E-01 0.213E-01 RMM: 4 -0.339809717864E+03 -0.24973E-03 -0.13113E-03 4674 0.917E-02 0.348E-01 RMM: 5 -0.339808953626E+03 0.76424E-03 -0.69527E-04 4600 0.710E-02 0.141E-01 RMM: 6 -0.339809003695E+03 -0.50069E-04 -0.27971E-04 3901 0.426E-02 0.169E-01 RMM: 7 -0.339808894763E+03 0.10893E-03 -0.13123E-04 3884 0.346E-02 0.117E-01 RMM: 8 -0.339808803888E+03 0.90874E-04 -0.48534E-05 3270 0.202E-02 0.354E-02 RMM: 9 -0.339808805399E+03 -0.15103E-05 -0.15671E-05 2512 0.111E-02 7965 T= 6715. E= 0.68999321E+03 F= 0.63444352E+03 E0= 0.66391273E+03 EK= 0.55550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339479515565E+03 0.32929E+00 -0.19741E-01 8496 0.244E+01 0.294E-01 RMM: 2 -0.339493560780E+03 -0.14045E-01 -0.89792E-02 5289 0.673E-01 0.106E+00 RMM: 3 -0.339485711784E+03 0.78490E-02 -0.85480E-03 5609 0.193E-01 0.221E-01 RMM: 4 -0.339485823276E+03 -0.11149E-03 -0.12528E-03 4644 0.849E-02 0.297E-01 RMM: 5 -0.339485343582E+03 0.47969E-03 -0.55909E-04 4593 0.642E-02 0.160E-01 RMM: 6 -0.339485229071E+03 0.11451E-03 -0.21287E-04 3901 0.375E-02 0.103E-01 RMM: 7 -0.339485276843E+03 -0.47772E-04 -0.11977E-04 3865 0.306E-02 0.137E-01 RMM: 8 -0.339485150654E+03 0.12619E-03 -0.57930E-05 3402 0.228E-02 0.342E-02 RMM: 9 -0.339485146581E+03 0.40731E-05 -0.10014E-05 2492 0.882E-03 7966 T= 6645. E= 0.68944409E+03 F= 0.63446869E+03 E0= 0.66394010E+03 EK= 0.54975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339277912700E+03 0.20724E+00 -0.19522E-01 8196 0.242E+01 0.296E-01 RMM: 2 -0.339288872063E+03 -0.10959E-01 -0.89733E-02 5289 0.652E-01 0.814E-01 RMM: 3 -0.339283963634E+03 0.49084E-02 -0.76058E-03 5594 0.179E-01 0.198E-01 RMM: 4 -0.339284473464E+03 -0.50983E-03 -0.13611E-03 4698 0.925E-02 0.372E-01 RMM: 5 -0.339283613465E+03 0.86000E-03 -0.58000E-04 4561 0.636E-02 0.135E-01 RMM: 6 -0.339283576675E+03 0.36790E-04 -0.19772E-04 3888 0.356E-02 0.119E-01 RMM: 7 -0.339283542169E+03 0.34507E-04 -0.92618E-05 3779 0.287E-02 0.103E-01 RMM: 8 -0.339283472178E+03 0.69991E-04 -0.35032E-05 3074 0.179E-02 0.297E-02 RMM: 9 -0.339283472753E+03 -0.57575E-06 -0.11358E-05 2477 0.942E-03 7967 T= 6499. E= 0.68813545E+03 F= 0.63436987E+03 E0= 0.66383571E+03 EK= 0.53766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339211272639E+03 0.72200E-01 -0.19241E-01 8076 0.239E+01 0.314E-01 RMM: 2 -0.339224501952E+03 -0.13229E-01 -0.89592E-02 5229 0.668E-01 0.101E+00 RMM: 3 -0.339217198468E+03 0.73035E-02 -0.85434E-03 5549 0.198E-01 0.245E-01 RMM: 4 -0.339217499915E+03 -0.30145E-03 -0.15434E-03 4746 0.948E-02 0.346E-01 RMM: 5 -0.339216848727E+03 0.65119E-03 -0.60174E-04 4589 0.656E-02 0.178E-01 RMM: 6 -0.339216662654E+03 0.18607E-03 -0.18571E-04 3888 0.352E-02 0.774E-02 RMM: 7 -0.339216719286E+03 -0.56633E-04 -0.10601E-04 3792 0.284E-02 0.125E-01 RMM: 8 -0.339216616014E+03 0.10327E-03 -0.49322E-05 3284 0.216E-02 0.345E-02 RMM: 9 -0.339216611080E+03 0.49346E-05 -0.10079E-05 2483 0.900E-03 7968 T= 6333. E= 0.68652414E+03 F= 0.63413268E+03 E0= 0.66358518E+03 EK= 0.52391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339281663984E+03 -0.65048E-01 -0.19038E-01 7752 0.236E+01 0.315E-01 RMM: 2 -0.339293660370E+03 -0.11996E-01 -0.96980E-02 5146 0.694E-01 0.860E-01 RMM: 3 -0.339288340693E+03 0.53197E-02 -0.96118E-03 5582 0.200E-01 0.223E-01 RMM: 4 -0.339288913461E+03 -0.57277E-03 -0.15640E-03 4869 0.971E-02 0.396E-01 RMM: 5 -0.339287932732E+03 0.98073E-03 -0.63942E-04 4587 0.668E-02 0.142E-01 RMM: 6 -0.339287852327E+03 0.80405E-04 -0.17882E-04 3881 0.343E-02 0.990E-02 RMM: 7 -0.339287870456E+03 -0.18129E-04 -0.89751E-05 3709 0.272E-02 7969 T= 6205. E= 0.68508726E+03 F= 0.63375350E+03 E0= 0.66318721E+03 EK= 0.51334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339487282419E+03 -0.19943E+00 -0.18367E-01 7764 0.234E+01 0.332E-01 RMM: 2 -0.339498840919E+03 -0.11558E-01 -0.87128E-02 5235 0.659E-01 0.903E-01 RMM: 3 -0.339493034087E+03 0.58068E-02 -0.84183E-03 5497 0.193E-01 0.264E-01 RMM: 4 -0.339493661247E+03 -0.62716E-03 -0.17521E-03 4814 0.102E-01 0.424E-01 RMM: 5 -0.339492557776E+03 0.11035E-02 -0.77045E-04 4599 0.740E-02 0.156E-01 RMM: 6 -0.339492457407E+03 0.10037E-03 -0.19653E-04 3881 0.357E-02 0.107E-01 RMM: 7 -0.339492446143E+03 0.11263E-04 -0.11486E-04 3862 0.313E-02 7970 T= 6155. E= 0.68415887E+03 F= 0.63323805E+03 E0= 0.66264984E+03 EK= 0.50921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339812084976E+03 -0.31963E+00 -0.17738E-01 7968 0.234E+01 0.327E-01 RMM: 2 -0.339825024057E+03 -0.12939E-01 -0.92791E-02 5098 0.707E-01 0.992E-01 RMM: 3 -0.339818438091E+03 0.65860E-02 -0.10641E-02 5537 0.217E-01 0.233E-01 RMM: 4 -0.339818844392E+03 -0.40630E-03 -0.15887E-03 4839 0.960E-02 0.361E-01 RMM: 5 -0.339818145695E+03 0.69870E-03 -0.60066E-04 4593 0.637E-02 0.198E-01 RMM: 6 -0.339817913785E+03 0.23191E-03 -0.26214E-04 3898 0.419E-02 0.810E-02 RMM: 7 -0.339817984993E+03 -0.71208E-04 -0.10348E-04 3746 0.292E-02 0.136E-01 RMM: 8 -0.339817864701E+03 0.12029E-03 -0.43240E-05 3201 0.203E-02 0.372E-02 RMM: 9 -0.339817859430E+03 0.52717E-05 -0.13346E-05 2498 0.104E-02 7971 T= 6196. E= 0.68385805E+03 F= 0.63260046E+03 E0= 0.66198663E+03 EK= 0.51258E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340240486463E+03 -0.42262E+00 -0.17693E-01 7788 0.235E+01 0.265E-01 RMM: 2 -0.340250363303E+03 -0.98768E-02 -0.80186E-02 5233 0.640E-01 0.764E-01 RMM: 3 -0.340246146437E+03 0.42169E-02 -0.76034E-03 5541 0.179E-01 0.185E-01 RMM: 4 -0.340246684199E+03 -0.53776E-03 -0.11769E-03 4700 0.855E-02 0.364E-01 RMM: 5 -0.340245846188E+03 0.83801E-03 -0.48881E-04 4517 0.593E-02 0.101E-01 RMM: 6 -0.340245845606E+03 0.58202E-06 -0.14727E-04 3878 0.310E-02 7972 T= 6312. E= 0.68407769E+03 F= 0.63186075E+03 E0= 0.66122161E+03 EK= 0.52217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340745891709E+03 -0.50005E+00 -0.17253E-01 7884 0.238E+01 0.391E-01 RMM: 2 -0.340767942872E+03 -0.22051E-01 -0.80316E-02 5254 0.683E-01 0.162E+00 RMM: 3 -0.340750704745E+03 0.17238E-01 -0.11439E-02 5351 0.255E-01 0.307E-01 RMM: 4 -0.340750538509E+03 0.16624E-03 -0.18768E-03 4796 0.980E-02 0.296E-01 RMM: 5 -0.340750346318E+03 0.19219E-03 -0.10133E-03 4608 0.872E-02 0.273E-01 RMM: 6 -0.340749923706E+03 0.42261E-03 -0.41271E-04 4279 0.533E-02 0.117E-01 RMM: 7 -0.340749987005E+03 -0.63299E-04 -0.21051E-04 3888 0.413E-02 0.161E-01 RMM: 8 -0.340749817956E+03 0.16905E-03 -0.11034E-04 3850 0.322E-02 0.481E-02 RMM: 9 -0.340749814580E+03 0.33752E-05 -0.18589E-05 2569 0.130E-02 7973 T= 6462. E= 0.68450855E+03 F= 0.63104664E+03 E0= 0.66038019E+03 EK= 0.53462E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341286683382E+03 -0.53687E+00 -0.17017E-01 7716 0.240E+01 0.356E-01 RMM: 2 -0.341309854454E+03 -0.23171E-01 -0.71489E-02 5236 0.649E-01 0.167E+00 RMM: 3 -0.341290979460E+03 0.18875E-01 -0.11087E-02 5355 0.256E-01 0.311E-01 RMM: 4 -0.341290603778E+03 0.37568E-03 -0.16898E-03 4766 0.932E-02 0.228E-01 RMM: 5 -0.341290625515E+03 -0.21738E-04 -0.55054E-04 4589 0.636E-02 0.254E-01 RMM: 6 -0.341290198804E+03 0.42671E-03 -0.21994E-04 3888 0.397E-02 0.563E-02 RMM: 7 -0.341290258708E+03 -0.59904E-04 -0.10191E-04 3707 0.281E-02 0.115E-01 RMM: 8 -0.341290174487E+03 0.84221E-04 -0.41898E-05 3197 0.204E-02 0.340E-02 RMM: 9 -0.341290168129E+03 0.63584E-05 -0.79448E-06 2470 0.824E-03 7974 T= 6591. E= 0.68472561E+03 F= 0.63019765E+03 E0= 0.65950476E+03 EK= 0.54528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341812051361E+03 -0.52188E+00 -0.16881E-01 8016 0.241E+01 0.329E-01 RMM: 2 -0.341827710116E+03 -0.15659E-01 -0.69384E-02 5272 0.646E-01 0.133E+00 RMM: 3 -0.341816471647E+03 0.11238E-01 -0.85199E-03 5382 0.214E-01 0.272E-01 RMM: 4 -0.341816340417E+03 0.13123E-03 -0.14132E-03 4657 0.879E-02 0.260E-01 RMM: 5 -0.341816103630E+03 0.23679E-03 -0.82862E-04 4608 0.810E-02 0.216E-01 RMM: 6 -0.341815857244E+03 0.24639E-03 -0.28188E-04 3894 0.439E-02 0.105E-01 RMM: 7 -0.341815872683E+03 -0.15439E-04 -0.15631E-04 3873 0.385E-02 7975 T= 6646. E= 0.68434424E+03 F= 0.62936368E+03 E0= 0.65864418E+03 EK= 0.54981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342262316404E+03 -0.44646E+00 -0.16902E-01 8040 0.241E+01 0.321E-01 RMM: 2 -0.342272842441E+03 -0.10526E-01 -0.68272E-02 5173 0.634E-01 0.966E-01 RMM: 3 -0.342266614088E+03 0.62284E-02 -0.71448E-03 5419 0.187E-01 0.252E-01 RMM: 4 -0.342266976833E+03 -0.36275E-03 -0.15223E-03 4761 0.969E-02 0.368E-01 RMM: 5 -0.342266254155E+03 0.72268E-03 -0.91026E-04 4608 0.833E-02 0.191E-01 RMM: 6 -0.342266093590E+03 0.16056E-03 -0.28633E-04 3898 0.437E-02 0.121E-01 RMM: 7 -0.342266080969E+03 0.12621E-04 -0.15771E-04 3872 0.385E-02 7976 T= 6600. E= 0.68320239E+03 F= 0.62860364E+03 E0= 0.65785702E+03 EK= 0.54599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342571883766E+03 -0.30579E+00 -0.17398E-01 7992 0.240E+01 0.314E-01 RMM: 2 -0.342584985092E+03 -0.13101E-01 -0.84039E-02 4977 0.708E-01 0.106E+00 RMM: 3 -0.342577684586E+03 0.73005E-02 -0.10097E-02 5501 0.220E-01 0.249E-01 RMM: 4 -0.342577678380E+03 0.62062E-05 -0.13538E-03 4767 0.872E-02 0.281E-01 RMM: 5 -0.342577410619E+03 0.26776E-03 -0.72318E-04 4607 0.737E-02 0.227E-01 RMM: 6 -0.342577113844E+03 0.29677E-03 -0.30498E-04 3911 0.457E-02 0.913E-02 RMM: 7 -0.342577186416E+03 -0.72572E-04 -0.13170E-04 3856 0.340E-02 0.143E-01 RMM: 8 -0.342577051318E+03 0.13510E-03 -0.53811E-05 3351 0.224E-02 0.391E-02 RMM: 9 -0.342577047135E+03 0.41824E-05 -0.15055E-05 2511 0.114E-02 7977 T= 6465. E= 0.68146174E+03 F= 0.62797928E+03 E0= 0.65720455E+03 EK= 0.53482E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342687991060E+03 -0.11094E+00 -0.16557E-01 8088 0.237E+01 0.256E-01 RMM: 2 -0.342697022156E+03 -0.90311E-02 -0.69661E-02 5110 0.611E-01 0.766E-01 RMM: 3 -0.342692758138E+03 0.42640E-02 -0.67604E-03 5501 0.175E-01 0.177E-01 RMM: 4 -0.342693200307E+03 -0.44217E-03 -0.11567E-03 4683 0.854E-02 0.338E-01 RMM: 5 -0.342692519343E+03 0.68096E-03 -0.54070E-04 4578 0.640E-02 0.127E-01 RMM: 6 -0.342692467563E+03 0.51780E-04 -0.17107E-04 3887 0.336E-02 0.100E-01 RMM: 7 -0.342692454456E+03 0.13107E-04 -0.80016E-05 3652 0.274E-02 7978 T= 6286. E= 0.67954701E+03 F= 0.62754563E+03 E0= 0.65674342E+03 EK= 0.52001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342567321230E+03 0.12515E+00 -0.15909E-01 8292 0.235E+01 0.343E-01 RMM: 2 -0.342576453343E+03 -0.91321E-02 -0.70248E-02 5158 0.624E-01 0.874E-01 RMM: 3 -0.342571489099E+03 0.49642E-02 -0.77453E-03 5503 0.191E-01 0.243E-01 RMM: 4 -0.342572205295E+03 -0.71620E-03 -0.17872E-03 4879 0.107E-01 0.437E-01 RMM: 5 -0.342571017512E+03 0.11878E-02 -0.92054E-04 4608 0.820E-02 0.159E-01 RMM: 6 -0.342570974822E+03 0.42691E-04 -0.24762E-04 3891 0.402E-02 0.143E-01 RMM: 7 -0.342570891960E+03 0.82862E-04 -0.14421E-04 3872 0.378E-02 0.106E-01 RMM: 8 -0.342570822579E+03 0.69381E-04 -0.40559E-05 3153 0.194E-02 0.369E-02 RMM: 9 -0.342570832713E+03 -0.10134E-04 -0.21550E-05 2566 0.132E-02 7979 T= 6119. E= 0.67796891E+03 F= 0.62734420E+03 E0= 0.65651628E+03 EK= 0.50625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342182709070E+03 0.38811E+00 -0.16268E-01 8400 0.233E+01 0.267E-01 RMM: 2 -0.342192601709E+03 -0.98926E-02 -0.79244E-02 5014 0.649E-01 0.783E-01 RMM: 3 -0.342188247649E+03 0.43541E-02 -0.79540E-03 5688 0.184E-01 0.211E-01 RMM: 4 -0.342188354557E+03 -0.10691E-03 -0.12089E-03 4713 0.869E-02 0.282E-01 RMM: 5 -0.342187914642E+03 0.43992E-03 -0.51786E-04 4570 0.620E-02 0.155E-01 RMM: 6 -0.342187790105E+03 0.12454E-03 -0.16725E-04 3889 0.341E-02 0.828E-02 RMM: 7 -0.342187820287E+03 -0.30182E-04 -0.74928E-05 3570 0.256E-02 0.110E-01 RMM: 8 -0.342187738171E+03 0.82117E-04 -0.32027E-05 3015 0.180E-02 0.257E-02 RMM: 9 -0.342187737242E+03 0.92901E-06 -0.83646E-06 2469 0.811E-03 7980 T= 6014. E= 0.67715581E+03 F= 0.62740102E+03 E0= 0.65654893E+03 EK= 0.49755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341537001358E+03 0.65074E+00 -0.16373E-01 8616 0.233E+01 0.320E-01 RMM: 2 -0.341545103221E+03 -0.81019E-02 -0.70565E-02 5259 0.593E-01 0.744E-01 RMM: 3 -0.341541155689E+03 0.39475E-02 -0.63225E-03 5513 0.171E-01 0.239E-01 RMM: 4 -0.341541840028E+03 -0.68434E-03 -0.15255E-03 4754 0.990E-02 0.427E-01 RMM: 5 -0.341540693763E+03 0.11463E-02 -0.71249E-04 4602 0.710E-02 0.137E-01 RMM: 6 -0.341540665796E+03 0.27967E-04 -0.20882E-04 3888 0.369E-02 0.127E-01 RMM: 7 -0.341540623989E+03 0.41807E-04 -0.10436E-04 3841 0.306E-02 0.108E-01 RMM: 8 -0.341540546107E+03 0.77882E-04 -0.43519E-05 3188 0.198E-02 0.315E-02 RMM: 9 -0.341540549732E+03 -0.36249E-05 -0.15193E-05 2514 0.111E-02 7981 T= 6000. E= 0.67735604E+03 F= 0.62772156E+03 E0= 0.65684891E+03 EK= 0.49634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340643825472E+03 0.89672E+00 -0.16750E-01 8520 0.234E+01 0.307E-01 RMM: 2 -0.340655061979E+03 -0.11237E-01 -0.80820E-02 5161 0.639E-01 0.927E-01 RMM: 3 -0.340649016294E+03 0.60457E-02 -0.78557E-03 5627 0.188E-01 0.228E-01 RMM: 4 -0.340649323790E+03 -0.30750E-03 -0.14325E-03 4699 0.931E-02 0.340E-01 RMM: 5 -0.340648635672E+03 0.68812E-03 -0.58563E-04 4582 0.648E-02 0.158E-01 RMM: 6 -0.340648511618E+03 0.12405E-03 -0.18387E-04 3889 0.352E-02 0.928E-02 RMM: 7 -0.340648555272E+03 -0.43654E-04 -0.99942E-05 3786 0.282E-02 0.127E-01 RMM: 8 -0.340648447619E+03 0.10765E-03 -0.48175E-05 3288 0.210E-02 0.335E-02 RMM: 9 -0.340648444729E+03 0.28901E-05 -0.11571E-05 2497 0.968E-03 7982 T= 6082. E= 0.67860718E+03 F= 0.62829008E+03 E0= 0.65740060E+03 EK= 0.50317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339555609894E+03 0.10928E+01 -0.16972E-01 8580 0.236E+01 0.319E-01 RMM: 2 -0.339566347517E+03 -0.10738E-01 -0.80168E-02 5396 0.620E-01 0.890E-01 RMM: 3 -0.339560500130E+03 0.58474E-02 -0.68601E-03 5430 0.182E-01 0.233E-01 RMM: 4 -0.339561085847E+03 -0.58572E-03 -0.15088E-03 4704 0.959E-02 0.397E-01 RMM: 5 -0.339560119248E+03 0.96660E-03 -0.61678E-04 4575 0.652E-02 0.151E-01 RMM: 6 -0.339560026057E+03 0.93191E-04 -0.18896E-04 3890 0.353E-02 0.102E-01 RMM: 7 -0.339560052109E+03 -0.26053E-04 -0.10250E-04 3796 0.283E-02 0.124E-01 RMM: 8 -0.339559947099E+03 0.10501E-03 -0.54093E-05 3345 0.219E-02 0.335E-02 RMM: 9 -0.339559946724E+03 0.37585E-06 -0.15117E-05 2519 0.111E-02 7983 T= 6245. E= 0.68072493E+03 F= 0.62906113E+03 E0= 0.65815922E+03 EK= 0.51664E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338353272742E+03 0.12067E+01 -0.17542E-01 8520 0.239E+01 0.337E-01 RMM: 2 -0.338369397088E+03 -0.16124E-01 -0.93755E-02 5234 0.697E-01 0.121E+00 RMM: 3 -0.338359416241E+03 0.99808E-02 -0.96424E-03 5545 0.215E-01 0.245E-01 RMM: 4 -0.338359726040E+03 -0.30980E-03 -0.16836E-03 4820 0.984E-02 0.349E-01 RMM: 5 -0.338359022540E+03 0.70350E-03 -0.56321E-04 4590 0.626E-02 0.173E-01 RMM: 6 -0.338358854988E+03 0.16755E-03 -0.17833E-04 3880 0.344E-02 0.842E-02 RMM: 7 -0.338358903787E+03 -0.48799E-04 -0.10147E-04 3782 0.276E-02 0.125E-01 RMM: 8 -0.338358801734E+03 0.10205E-03 -0.47920E-05 3263 0.210E-02 0.335E-02 RMM: 9 -0.338358800472E+03 0.12622E-05 -0.12597E-05 2507 0.100E-02 7984 T= 6449. E= 0.68330758E+03 F= 0.62995288E+03 E0= 0.65904225E+03 EK= 0.53355E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337156055491E+03 0.12027E+01 -0.17807E-01 8688 0.240E+01 0.324E-01 RMM: 2 -0.337168934405E+03 -0.12879E-01 -0.94551E-02 5366 0.690E-01 0.947E-01 RMM: 3 -0.337162299885E+03 0.66345E-02 -0.83974E-03 5436 0.203E-01 0.251E-01 RMM: 4 -0.337162734968E+03 -0.43508E-03 -0.15245E-03 4770 0.942E-02 0.375E-01 RMM: 5 -0.337161929393E+03 0.80557E-03 -0.55784E-04 4544 0.612E-02 0.176E-01 RMM: 6 -0.337161760956E+03 0.16844E-03 -0.20971E-04 3892 0.377E-02 0.861E-02 RMM: 7 -0.337161822951E+03 -0.61995E-04 -0.10049E-04 3780 0.275E-02 0.131E-01 RMM: 8 -0.337161706954E+03 0.11600E-03 -0.52607E-05 3326 0.217E-02 0.365E-02 RMM: 9 -0.337161703825E+03 0.31296E-05 -0.15749E-05 2531 0.114E-02 7985 T= 6641. E= 0.68578404E+03 F= 0.63084889E+03 E0= 0.65993337E+03 EK= 0.54935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336081424806E+03 0.10803E+01 -0.18748E-01 8424 0.241E+01 0.333E-01 RMM: 2 -0.336099691652E+03 -0.18267E-01 -0.10857E-01 5231 0.746E-01 0.123E+00 RMM: 3 -0.336088919814E+03 0.10772E-01 -0.10429E-02 5554 0.223E-01 0.235E-01 RMM: 4 -0.336089286680E+03 -0.36687E-03 -0.16916E-03 4887 0.985E-02 0.356E-01 RMM: 5 -0.336088545086E+03 0.74159E-03 -0.56141E-04 4567 0.625E-02 0.166E-01 RMM: 6 -0.336088401243E+03 0.14384E-03 -0.17806E-04 3880 0.344E-02 0.877E-02 RMM: 7 -0.336088429857E+03 -0.28614E-04 -0.95586E-05 3766 0.268E-02 0.114E-01 RMM: 8 -0.336088345696E+03 0.84161E-04 -0.44406E-05 3226 0.202E-02 0.365E-02 RMM: 9 -0.336088342592E+03 0.31033E-05 -0.12446E-05 2500 0.101E-02 7986 T= 6761. E= 0.68755604E+03 F= 0.63162814E+03 E0= 0.66071103E+03 EK= 0.55928E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335219965708E+03 0.86838E+00 -0.19631E-01 8688 0.241E+01 0.311E-01 RMM: 2 -0.335235113520E+03 -0.15148E-01 -0.11685E-01 5244 0.751E-01 0.927E-01 RMM: 3 -0.335228273305E+03 0.68402E-02 -0.10089E-02 5453 0.221E-01 0.244E-01 RMM: 4 -0.335228606977E+03 -0.33367E-03 -0.14939E-03 4842 0.921E-02 0.348E-01 RMM: 5 -0.335227923724E+03 0.68325E-03 -0.53780E-04 4512 0.600E-02 0.177E-01 RMM: 6 -0.335227759411E+03 0.16431E-03 -0.22692E-04 3894 0.394E-02 0.914E-02 RMM: 7 -0.335227836046E+03 -0.76635E-04 -0.11223E-04 3842 0.290E-02 0.142E-01 RMM: 8 -0.335227702263E+03 0.13378E-03 -0.56934E-05 3384 0.225E-02 0.380E-02 RMM: 9 -0.335227697685E+03 0.45783E-05 -0.14867E-05 2514 0.111E-02 7987 T= 6771. E= 0.68821089E+03 F= 0.63219914E+03 E0= 0.66128347E+03 EK= 0.56012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334600481593E+03 0.62722E+00 -0.20617E-01 8604 0.239E+01 0.310E-01 RMM: 2 -0.334618934718E+03 -0.18453E-01 -0.13046E-01 5351 0.777E-01 0.108E+00 RMM: 3 -0.334609970979E+03 0.89637E-02 -0.10704E-02 5422 0.229E-01 0.223E-01 RMM: 4 -0.334610325184E+03 -0.35421E-03 -0.15974E-03 4873 0.948E-02 0.342E-01 RMM: 5 -0.334609639001E+03 0.68618E-03 -0.57235E-04 4572 0.637E-02 0.158E-01 RMM: 6 -0.334609526176E+03 0.11283E-03 -0.18028E-04 3892 0.346E-02 0.992E-02 RMM: 7 -0.334609562453E+03 -0.36277E-04 -0.11260E-04 3886 0.292E-02 0.126E-01 RMM: 8 -0.334609459946E+03 0.10251E-03 -0.50394E-05 3298 0.213E-02 0.385E-02 RMM: 9 -0.334609455485E+03 0.44609E-05 -0.12831E-05 2503 0.102E-02 7988 T= 6669. E= 0.68770280E+03 F= 0.63252929E+03 E0= 0.66161757E+03 EK= 0.55174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334196406845E+03 0.41305E+00 -0.21927E-01 8688 0.236E+01 0.331E-01 RMM: 2 -0.334217449977E+03 -0.21043E-01 -0.14168E-01 5630 0.788E-01 0.118E+00 RMM: 3 -0.334206795879E+03 0.10654E-01 -0.10904E-02 5382 0.241E-01 0.259E-01 RMM: 4 -0.334207025151E+03 -0.22927E-03 -0.16392E-03 4934 0.932E-02 0.330E-01 RMM: 5 -0.334206413778E+03 0.61137E-03 -0.53212E-04 4544 0.604E-02 0.170E-01 RMM: 6 -0.334206282701E+03 0.13108E-03 -0.21334E-04 3891 0.381E-02 0.106E-01 RMM: 7 -0.334206369024E+03 -0.86323E-04 -0.13567E-04 3880 0.314E-02 0.155E-01 RMM: 8 -0.334206212117E+03 0.15691E-03 -0.75020E-05 3543 0.254E-02 0.436E-02 RMM: 9 -0.334206204138E+03 0.79792E-05 -0.14443E-05 2527 0.111E-02 7989 T= 6494. E= 0.68636627E+03 F= 0.63264341E+03 E0= 0.66173732E+03 EK= 0.53723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333953799430E+03 0.25241E+00 -0.23923E-01 8952 0.232E+01 0.325E-01 RMM: 2 -0.333976080773E+03 -0.22281E-01 -0.16671E-01 5605 0.853E-01 0.110E+00 RMM: 3 -0.333966472893E+03 0.96079E-02 -0.11780E-02 5444 0.240E-01 0.258E-01 RMM: 4 -0.333966658068E+03 -0.18517E-03 -0.17250E-03 4985 0.970E-02 0.333E-01 RMM: 5 -0.333966022002E+03 0.63607E-03 -0.58417E-04 4588 0.639E-02 0.166E-01 RMM: 6 -0.333965905382E+03 0.11662E-03 -0.18869E-04 3892 0.353E-02 0.105E-01 RMM: 7 -0.333965977796E+03 -0.72414E-04 -0.12690E-04 3886 0.304E-02 0.149E-01 RMM: 8 -0.333965833286E+03 0.14451E-03 -0.66868E-05 3474 0.240E-02 0.397E-02 RMM: 9 -0.333965829287E+03 0.39997E-05 -0.13834E-05 2517 0.105E-02 7990 T= 6305. E= 0.68474899E+03 F= 0.63259209E+03 E0= 0.66169297E+03 EK= 0.52157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333827977103E+03 0.13786E+00 -0.25238E-01 8892 0.229E+01 0.338E-01 RMM: 2 -0.333852652128E+03 -0.24675E-01 -0.17002E-01 5803 0.838E-01 0.125E+00 RMM: 3 -0.333840812214E+03 0.11840E-01 -0.12061E-02 5420 0.246E-01 0.259E-01 RMM: 4 -0.333841049190E+03 -0.23698E-03 -0.17638E-03 4942 0.964E-02 0.338E-01 RMM: 5 -0.333840379161E+03 0.67003E-03 -0.52667E-04 4507 0.595E-02 0.162E-01 RMM: 6 -0.333840264759E+03 0.11440E-03 -0.19060E-04 3884 0.357E-02 0.104E-01 RMM: 7 -0.333840346662E+03 -0.81903E-04 -0.13245E-04 3880 0.308E-02 0.153E-01 RMM: 8 -0.333840194716E+03 0.15195E-03 -0.71323E-05 3513 0.247E-02 0.383E-02 RMM: 9 -0.333840191168E+03 0.35485E-05 -0.13540E-05 2517 0.104E-02 7991 T= 6161. E= 0.68338933E+03 F= 0.63242332E+03 E0= 0.66153127E+03 EK= 0.50966E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333783428700E+03 0.56766E-01 -0.27372E-01 8904 0.227E+01 0.328E-01 RMM: 2 -0.333807108706E+03 -0.23680E-01 -0.18515E-01 5772 0.878E-01 0.109E+00 RMM: 3 -0.333797674984E+03 0.94337E-02 -0.11925E-02 5499 0.236E-01 0.252E-01 RMM: 4 -0.333797928012E+03 -0.25303E-03 -0.17592E-03 4952 0.989E-02 0.351E-01 RMM: 5 -0.333797228919E+03 0.69909E-03 -0.59220E-04 4546 0.640E-02 0.168E-01 RMM: 6 -0.333797095144E+03 0.13378E-03 -0.18329E-04 3890 0.349E-02 0.981E-02 RMM: 7 -0.333797173292E+03 -0.78148E-04 -0.12885E-04 3888 0.303E-02 0.146E-01 RMM: 8 -0.333797032832E+03 0.14046E-03 -0.62999E-05 3431 0.235E-02 0.388E-02 RMM: 9 -0.333797028492E+03 0.43398E-05 -0.14020E-05 2513 0.105E-02 7992 T= 6103. E= 0.68265735E+03 F= 0.63217053E+03 E0= 0.66128556E+03 EK= 0.50487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333802103986E+03 -0.50712E-02 -0.28623E-01 9000 0.228E+01 0.332E-01 RMM: 2 -0.333826538454E+03 -0.24434E-01 -0.19120E-01 5829 0.872E-01 0.110E+00 RMM: 3 -0.333816766132E+03 0.97723E-02 -0.12506E-02 5473 0.246E-01 0.279E-01 RMM: 4 -0.333816887471E+03 -0.12134E-03 -0.17492E-03 4958 0.972E-02 0.330E-01 RMM: 5 -0.333816282621E+03 0.60485E-03 -0.53208E-04 4523 0.592E-02 0.175E-01 RMM: 6 -0.333816130720E+03 0.15190E-03 -0.19933E-04 3890 0.367E-02 0.974E-02 RMM: 7 -0.333816224099E+03 -0.93379E-04 -0.14131E-04 3896 0.318E-02 0.153E-01 RMM: 8 -0.333816071507E+03 0.15259E-03 -0.77170E-05 3574 0.254E-02 0.443E-02 RMM: 9 -0.333816062944E+03 0.85630E-05 -0.14411E-05 2527 0.109E-02 7993 T= 6145. E= 0.68268938E+03 F= 0.63185600E+03 E0= 0.66097759E+03 EK= 0.50833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333857901274E+03 -0.41830E-01 -0.30398E-01 9072 0.230E+01 0.327E-01 RMM: 2 -0.333884931199E+03 -0.27030E-01 -0.20572E-01 5628 0.923E-01 0.116E+00 RMM: 3 -0.333874006413E+03 0.10925E-01 -0.13835E-02 5546 0.249E-01 0.242E-01 RMM: 4 -0.333874222881E+03 -0.21647E-03 -0.17964E-03 5000 0.988E-02 0.345E-01 RMM: 5 -0.333873569814E+03 0.65307E-03 -0.59455E-04 4542 0.638E-02 0.169E-01 RMM: 6 -0.333873430871E+03 0.13894E-03 -0.19604E-04 3893 0.360E-02 0.984E-02 RMM: 7 -0.333873506014E+03 -0.75144E-04 -0.13591E-04 3892 0.313E-02 0.146E-01 RMM: 8 -0.333873368462E+03 0.13755E-03 -0.68353E-05 3494 0.244E-02 0.428E-02 RMM: 9 -0.333873361499E+03 0.69633E-05 -0.14009E-05 2514 0.107E-02 7994 T= 6270. E= 0.68337886E+03 F= 0.63150574E+03 E0= 0.66063278E+03 EK= 0.51873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333909037218E+03 -0.35669E-01 -0.30526E-01 9048 0.233E+01 0.313E-01 RMM: 2 -0.333934310199E+03 -0.25273E-01 -0.20522E-01 5697 0.912E-01 0.105E+00 RMM: 3 -0.333925169863E+03 0.91403E-02 -0.13629E-02 5514 0.247E-01 0.256E-01 RMM: 4 -0.333925220022E+03 -0.50159E-04 -0.16185E-03 4889 0.918E-02 0.301E-01 RMM: 5 -0.333924712125E+03 0.50790E-03 -0.51592E-04 4519 0.586E-02 0.166E-01 RMM: 6 -0.333924591323E+03 0.12080E-03 -0.20881E-04 3888 0.374E-02 0.103E-01 RMM: 7 -0.333924662663E+03 -0.71339E-04 -0.12803E-04 3886 0.309E-02 0.146E-01 RMM: 8 -0.333924521092E+03 0.14157E-03 -0.67774E-05 3481 0.242E-02 0.394E-02 RMM: 9 -0.333924516200E+03 0.48914E-05 -0.14556E-05 2520 0.110E-02 7995 T= 6435. E= 0.68440220E+03 F= 0.63116550E+03 E0= 0.66029556E+03 EK= 0.53237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333887977093E+03 0.36544E-01 -0.30312E-01 9132 0.237E+01 0.315E-01 RMM: 2 -0.333915985316E+03 -0.28008E-01 -0.20696E-01 5408 0.930E-01 0.121E+00 RMM: 3 -0.333904129844E+03 0.11855E-01 -0.15191E-02 5656 0.254E-01 0.244E-01 RMM: 4 -0.333904077072E+03 0.52772E-04 -0.16923E-03 4919 0.947E-02 0.288E-01 RMM: 5 -0.333903666050E+03 0.41102E-03 -0.58172E-04 4579 0.639E-02 0.173E-01 RMM: 6 -0.333903523023E+03 0.14303E-03 -0.20608E-04 3881 0.368E-02 0.102E-01 RMM: 7 -0.333903583281E+03 -0.60258E-04 -0.13397E-04 3886 0.320E-02 0.141E-01 RMM: 8 -0.333903454193E+03 0.12909E-03 -0.62078E-05 3422 0.235E-02 0.398E-02 RMM: 9 -0.333903450024E+03 0.41693E-05 -0.13131E-05 2508 0.103E-02 7996 T= 6576. E= 0.68530003E+03 F= 0.63090157E+03 E0= 0.66003067E+03 EK= 0.54398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333722179545E+03 0.18127E+00 -0.28811E-01 9000 0.240E+01 0.312E-01 RMM: 2 -0.333747086707E+03 -0.24907E-01 -0.19726E-01 5470 0.911E-01 0.109E+00 RMM: 3 -0.333737586600E+03 0.95001E-02 -0.14416E-02 5636 0.248E-01 0.248E-01 RMM: 4 -0.333737499591E+03 0.87009E-04 -0.15201E-03 4805 0.881E-02 0.275E-01 RMM: 5 -0.333737084045E+03 0.41555E-03 -0.53951E-04 4573 0.613E-02 0.157E-01 RMM: 6 -0.333737002442E+03 0.81603E-04 -0.23914E-04 3890 0.400E-02 0.117E-01 RMM: 7 -0.333737055433E+03 -0.52991E-04 -0.11967E-04 3875 0.311E-02 0.148E-01 RMM: 8 -0.333736910821E+03 0.14461E-03 -0.58585E-05 3392 0.225E-02 0.402E-02 RMM: 9 -0.333736906385E+03 0.44360E-05 -0.15120E-05 2517 0.112E-02 7997 T= 6632. E= 0.68564961E+03 F= 0.63078627E+03 E0= 0.65990938E+03 EK= 0.54863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333359897721E+03 0.37701E+00 -0.26618E-01 9060 0.241E+01 0.315E-01 RMM: 2 -0.333385562502E+03 -0.25665E-01 -0.18731E-01 5499 0.873E-01 0.118E+00 RMM: 3 -0.333374152950E+03 0.11410E-01 -0.13924E-02 5615 0.236E-01 0.241E-01 RMM: 4 -0.333374120423E+03 0.32526E-04 -0.16180E-03 4803 0.924E-02 0.289E-01 RMM: 5 -0.333373688405E+03 0.43202E-03 -0.56377E-04 4584 0.628E-02 0.169E-01 RMM: 6 -0.333373557107E+03 0.13130E-03 -0.19871E-04 3881 0.361E-02 0.105E-01 RMM: 7 -0.333373605217E+03 -0.48110E-04 -0.13221E-04 3889 0.321E-02 0.139E-01 RMM: 8 -0.333373479505E+03 0.12571E-03 -0.61736E-05 3429 0.234E-02 0.382E-02 RMM: 9 -0.333373477314E+03 0.21907E-05 -0.14292E-05 2515 0.108E-02 7998 T= 6576. E= 0.68527412E+03 F= 0.63086933E+03 E0= 0.65998101E+03 EK= 0.54405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332792637084E+03 0.58084E+00 -0.26493E-01 8844 0.240E+01 0.323E-01 RMM: 2 -0.332817217666E+03 -0.24581E-01 -0.19066E-01 5304 0.919E-01 0.112E+00 RMM: 3 -0.332807496534E+03 0.97211E-02 -0.15407E-02 5695 0.255E-01 0.240E-01 RMM: 4 -0.332807574386E+03 -0.77853E-04 -0.16625E-03 4918 0.946E-02 0.314E-01 RMM: 5 -0.332807031400E+03 0.54299E-03 -0.53090E-04 4563 0.593E-02 0.170E-01 RMM: 6 -0.332806898104E+03 0.13330E-03 -0.20828E-04 3890 0.372E-02 0.102E-01 RMM: 7 -0.332806967688E+03 -0.69584E-04 -0.12900E-04 3885 0.313E-02 0.144E-01 RMM: 8 -0.332806828626E+03 0.13906E-03 -0.66796E-05 3487 0.242E-02 0.418E-02 RMM: 9 -0.332806821047E+03 0.75798E-05 -0.15748E-05 2522 0.116E-02 7999 T= 6430. E= 0.68435145E+03 F= 0.63115547E+03 E0= 0.66025119E+03 EK= 0.53196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332075586868E+03 0.73124E+00 -0.24248E-01 8940 0.238E+01 0.320E-01 RMM: 2 -0.332096360363E+03 -0.20773E-01 -0.15941E-01 5408 0.824E-01 0.105E+00 RMM: 3 -0.332087551771E+03 0.88086E-02 -0.11832E-02 5574 0.227E-01 0.242E-01 RMM: 4 -0.332087845697E+03 -0.29393E-03 -0.16943E-03 4874 0.976E-02 0.349E-01 RMM: 5 -0.332087104759E+03 0.74094E-03 -0.57470E-04 4576 0.620E-02 0.150E-01 RMM: 6 -0.332087000212E+03 0.10455E-03 -0.16329E-04 3882 0.330E-02 0.938E-02 RMM: 7 -0.332087055940E+03 -0.55729E-04 -0.11751E-04 3875 0.293E-02 0.135E-01 RMM: 8 -0.332086935985E+03 0.11996E-03 -0.59951E-05 3416 0.232E-02 0.389E-02 RMM: 9 -0.332086930438E+03 0.55466E-05 -0.13162E-05 2506 0.103E-02 8000 T= 6253. E= 0.68332292E+03 F= 0.63159384E+03 E0= 0.66067073E+03 EK= 0.51729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331295007566E+03 0.79193E+00 -0.22511E-01 8784 0.234E+01 0.340E-01 RMM: 2 -0.331316538662E+03 -0.21531E-01 -0.14887E-01 5415 0.814E-01 0.119E+00 RMM: 3 -0.331305956678E+03 0.10582E-01 -0.11930E-02 5521 0.234E-01 0.254E-01 RMM: 4 -0.331306289624E+03 -0.33295E-03 -0.18296E-03 4939 0.101E-01 0.358E-01 RMM: 5 -0.331305612160E+03 0.67746E-03 -0.53611E-04 4536 0.590E-02 0.196E-01 RMM: 6 -0.331305377573E+03 0.23459E-03 -0.20445E-04 3884 0.373E-02 0.753E-02 RMM: 7 -0.331305460985E+03 -0.83412E-04 -0.11420E-04 3879 0.286E-02 0.136E-01 RMM: 8 -0.331305335348E+03 0.12564E-03 -0.57441E-05 3380 0.225E-02 0.375E-02 RMM: 9 -0.331305328913E+03 0.64342E-05 -0.13905E-05 2512 0.107E-02 8001 T= 6115. E= 0.68267949E+03 F= 0.63209329E+03 E0= 0.66115053E+03 EK= 0.50586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330556684413E+03 0.74865E+00 -0.21321E-01 8592 0.232E+01 0.316E-01 RMM: 2 -0.330574330901E+03 -0.17646E-01 -0.13466E-01 5562 0.773E-01 0.990E-01 RMM: 3 -0.330566760998E+03 0.75699E-02 -0.10128E-02 5454 0.217E-01 0.256E-01 RMM: 4 -0.330567124429E+03 -0.36343E-03 -0.17314E-03 4922 0.993E-02 0.360E-01 RMM: 5 -0.330566278799E+03 0.84563E-03 -0.58247E-04 4551 0.631E-02 0.124E-01 RMM: 6 -0.330566218184E+03 0.60615E-04 -0.13152E-04 3879 0.296E-02 0.887E-02 RMM: 7 -0.330566252399E+03 -0.34215E-04 -0.91408E-05 3707 0.256E-02 0.119E-01 RMM: 8 -0.330566159290E+03 0.93109E-04 -0.47720E-05 3239 0.211E-02 0.350E-02 RMM: 9 -0.330566155037E+03 0.42531E-05 -0.11602E-05 2489 0.956E-03 8002 T= 6071. E= 0.68277146E+03 F= 0.63255125E+03 E0= 0.66158943E+03 EK= 0.50220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329944803439E+03 0.62136E+00 -0.19960E-01 8724 0.232E+01 0.331E-01 RMM: 2 -0.329965056148E+03 -0.20253E-01 -0.11885E-01 5274 0.744E-01 0.128E+00 RMM: 3 -0.329953217046E+03 0.11839E-01 -0.10422E-02 5458 0.228E-01 0.245E-01 RMM: 4 -0.329953451174E+03 -0.23413E-03 -0.16843E-03 4883 0.960E-02 0.329E-01 RMM: 5 -0.329952923487E+03 0.52769E-03 -0.51286E-04 4520 0.585E-02 0.194E-01 RMM: 6 -0.329952696082E+03 0.22740E-03 -0.19503E-04 3884 0.366E-02 0.737E-02 RMM: 7 -0.329952775462E+03 -0.79380E-04 -0.11076E-04 3857 0.283E-02 0.134E-01 RMM: 8 -0.329952657546E+03 0.11792E-03 -0.54566E-05 3340 0.223E-02 0.397E-02 RMM: 9 -0.329952649549E+03 0.79972E-05 -0.12115E-05 2505 0.101E-02 8003 T= 6143. E= 0.68370825E+03 F= 0.63288674E+03 E0= 0.66190815E+03 EK= 0.50822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329489804155E+03 0.46285E+00 -0.19629E-01 8664 0.234E+01 0.280E-01 RMM: 2 -0.329504673849E+03 -0.14870E-01 -0.11373E-01 5310 0.706E-01 0.897E-01 RMM: 3 -0.329498090405E+03 0.65834E-02 -0.85650E-03 5435 0.204E-01 0.231E-01 RMM: 4 -0.329498178906E+03 -0.88501E-04 -0.13234E-03 4743 0.861E-02 0.282E-01 RMM: 5 -0.329497717720E+03 0.46119E-03 -0.51133E-04 4544 0.608E-02 0.144E-01 RMM: 6 -0.329497633551E+03 0.84169E-04 -0.15785E-04 3888 0.328E-02 0.978E-02 RMM: 7 -0.329497663260E+03 -0.29708E-04 -0.10591E-04 3811 0.286E-02 0.123E-01 RMM: 8 -0.329497565599E+03 0.97660E-04 -0.49990E-05 3291 0.216E-02 0.372E-02 RMM: 9 -0.329497560852E+03 0.47472E-05 -0.12136E-05 2488 0.998E-03 8004 T= 6316. E= 0.68532186E+03 F= 0.63306905E+03 E0= 0.66207734E+03 EK= 0.52253E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329163391629E+03 0.33417E+00 -0.20649E-01 8832 0.238E+01 0.294E-01 RMM: 2 -0.329185253658E+03 -0.21862E-01 -0.12754E-01 5193 0.771E-01 0.130E+00 RMM: 3 -0.329172966088E+03 0.12288E-01 -0.11451E-02 5480 0.233E-01 0.243E-01 RMM: 4 -0.329172757500E+03 0.20859E-03 -0.13111E-03 4747 0.826E-02 0.216E-01 RMM: 5 -0.329172577317E+03 0.18018E-03 -0.46400E-04 4519 0.582E-02 0.177E-01 RMM: 6 -0.329172420153E+03 0.15716E-03 -0.21411E-04 3884 0.385E-02 0.961E-02 RMM: 7 -0.329172479970E+03 -0.59817E-04 -0.12802E-04 3878 0.317E-02 0.138E-01 RMM: 8 -0.329172354907E+03 0.12506E-03 -0.60202E-05 3385 0.233E-02 0.363E-02 RMM: 9 -0.329172350921E+03 0.39857E-05 -0.12793E-05 2506 0.103E-02 8005 T= 6533. E= 0.68716953E+03 F= 0.63312780E+03 E0= 0.66212827E+03 EK= 0.54042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328886595271E+03 0.28576E+00 -0.22646E-01 8916 0.242E+01 0.264E-01 RMM: 2 -0.328905856088E+03 -0.19261E-01 -0.14258E-01 5303 0.795E-01 0.100E+00 RMM: 3 -0.328897606358E+03 0.82497E-02 -0.11021E-02 5567 0.221E-01 0.236E-01 RMM: 4 -0.328897325129E+03 0.28123E-03 -0.11310E-03 4710 0.775E-02 0.192E-01 RMM: 5 -0.328897095852E+03 0.22928E-03 -0.49102E-04 4566 0.619E-02 0.131E-01 RMM: 6 -0.328897121665E+03 -0.25813E-04 -0.21759E-04 3888 0.379E-02 0.150E-01 RMM: 7 -0.328897085750E+03 0.35915E-04 -0.12837E-04 3866 0.324E-02 0.135E-01 RMM: 8 -0.328896968176E+03 0.11757E-03 -0.57763E-05 3370 0.223E-02 0.401E-02 RMM: 9 -0.328896966254E+03 0.19215E-05 -0.15909E-05 2515 0.114E-02 8006 T= 6707. E= 0.68862863E+03 F= 0.63314264E+03 E0= 0.66214155E+03 EK= 0.55486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328558515103E+03 0.33845E+00 -0.24709E-01 9048 0.246E+01 0.264E-01 RMM: 2 -0.328580291241E+03 -0.21776E-01 -0.16199E-01 5327 0.849E-01 0.106E+00 RMM: 3 -0.328571348018E+03 0.89432E-02 -0.12671E-02 5629 0.233E-01 0.235E-01 RMM: 4 -0.328571041085E+03 0.30693E-03 -0.11016E-03 4744 0.750E-02 0.187E-01 RMM: 5 -0.328570841370E+03 0.19971E-03 -0.40806E-04 4462 0.558E-02 0.140E-01 RMM: 6 -0.328570830842E+03 0.10528E-04 -0.21927E-04 3882 0.385E-02 0.140E-01 RMM: 7 -0.328570819083E+03 0.11759E-04 -0.13324E-04 3884 0.325E-02 8007 T= 6761. E= 0.68914045E+03 F= 0.63321246E+03 E0= 0.66221686E+03 EK= 0.55928E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328097338656E+03 0.47349E+00 -0.25942E-01 9096 0.246E+01 0.287E-01 RMM: 2 -0.328116681930E+03 -0.19343E-01 -0.17151E-01 5414 0.860E-01 0.810E-01 RMM: 3 -0.328110885803E+03 0.57961E-02 -0.12787E-02 5726 0.225E-01 0.240E-01 RMM: 4 -0.328110690108E+03 0.19569E-03 -0.11515E-03 4746 0.804E-02 0.260E-01 RMM: 5 -0.328110228279E+03 0.46183E-03 -0.73039E-04 4599 0.747E-02 0.121E-01 RMM: 6 -0.328110503527E+03 -0.27525E-03 -0.34381E-04 3960 0.469E-02 0.238E-01 RMM: 7 -0.328110219658E+03 0.28387E-03 -0.17394E-04 3888 0.396E-02 0.122E-01 RMM: 8 -0.328110129398E+03 0.90261E-04 -0.58911E-05 3361 0.219E-02 0.481E-02 RMM: 9 -0.328110133247E+03 -0.38493E-05 -0.31826E-05 2763 0.159E-02 8008 T= 6661. E= 0.68852537E+03 F= 0.63341861E+03 E0= 0.66243464E+03 EK= 0.55107E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327463490235E+03 0.64664E+00 -0.27805E-01 9000 0.245E+01 0.244E-01 RMM: 2 -0.327486737873E+03 -0.23248E-01 -0.19087E-01 5240 0.917E-01 0.929E-01 RMM: 3 -0.327479184455E+03 0.75534E-02 -0.15312E-02 5789 0.241E-01 0.200E-01 RMM: 4 -0.327478945792E+03 0.23866E-03 -0.11164E-03 4804 0.782E-02 0.207E-01 RMM: 5 -0.327478692108E+03 0.25368E-03 -0.35317E-04 4329 0.509E-02 0.115E-01 RMM: 6 -0.327478675776E+03 0.16332E-04 -0.15993E-04 3880 0.335E-02 8009 T= 6445. E= 0.68711513E+03 F= 0.63379513E+03 E0= 0.66282650E+03 EK= 0.53320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326686987550E+03 0.79170E+00 -0.27677E-01 9108 0.241E+01 0.485E-01 RMM: 2 -0.326742591651E+03 -0.55604E-01 -0.18054E-01 5274 0.910E-01 0.248E+00 RMM: 3 -0.326699797002E+03 0.42795E-01 -0.23550E-02 5366 0.363E-01 0.426E-01 RMM: 4 -0.326698891376E+03 0.90563E-03 -0.31267E-03 5282 0.118E-01 0.265E-01 RMM: 5 -0.326698910954E+03 -0.19578E-04 -0.94796E-04 4607 0.768E-02 0.303E-01 RMM: 6 -0.326698363033E+03 0.54792E-03 -0.48481E-04 4242 0.570E-02 0.126E-01 RMM: 7 -0.326698459947E+03 -0.96915E-04 -0.23735E-04 3906 0.404E-02 0.173E-01 RMM: 8 -0.326698280700E+03 0.17925E-03 -0.13214E-04 3880 0.343E-02 0.765E-02 RMM: 9 -0.326698248182E+03 0.32518E-04 -0.25737E-05 2813 0.152E-02 0.378E-02 RMM: 10 -0.326698254678E+03 -0.64961E-05 -0.19488E-05 2548 0.124E-02 8010 T= 6196. E= 0.68557921E+03 F= 0.63431910E+03 E0= 0.66336555E+03 EK= 0.51260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325829359869E+03 0.86889E+00 -0.27965E-01 9012 0.238E+01 0.425E-01 RMM: 2 -0.325882951384E+03 -0.53592E-01 -0.19050E-01 5115 0.929E-01 0.237E+00 RMM: 3 -0.325843668827E+03 0.39283E-01 -0.21898E-02 5380 0.344E-01 0.386E-01 RMM: 4 -0.325842770605E+03 0.89822E-03 -0.29554E-03 5274 0.116E-01 0.215E-01 RMM: 5 -0.325842798408E+03 -0.27803E-04 -0.60945E-04 4569 0.602E-02 0.240E-01 RMM: 6 -0.325842430660E+03 0.36775E-03 -0.24398E-04 3881 0.410E-02 0.723E-02 RMM: 7 -0.325842464705E+03 -0.34044E-04 -0.86788E-05 3671 0.243E-02 0.104E-01 RMM: 8 -0.325842400999E+03 0.63706E-04 -0.49949E-05 3211 0.209E-02 0.488E-02 RMM: 9 -0.325842386991E+03 0.14008E-04 -0.14633E-05 2523 0.115E-02 8011 T= 6006. E= 0.68460137E+03 F= 0.63491748E+03 E0= 0.66397815E+03 EK= 0.49684E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325006941203E+03 0.83546E+00 -0.26563E-01 9024 0.235E+01 0.341E-01 RMM: 2 -0.325029417783E+03 -0.22477E-01 -0.16393E-01 5446 0.837E-01 0.114E+00 RMM: 3 -0.325019465978E+03 0.99518E-02 -0.13169E-02 5544 0.237E-01 0.270E-01 RMM: 4 -0.325019649136E+03 -0.18316E-03 -0.19026E-03 4864 0.102E-01 0.352E-01 RMM: 5 -0.325018986263E+03 0.66287E-03 -0.59532E-04 4594 0.617E-02 0.199E-01 RMM: 6 -0.325018758590E+03 0.22767E-03 -0.22755E-04 3880 0.388E-02 0.902E-02 RMM: 7 -0.325018872177E+03 -0.11359E-03 -0.15133E-04 3886 0.319E-02 0.161E-01 RMM: 8 -0.325018696981E+03 0.17520E-03 -0.83094E-05 3623 0.264E-02 0.398E-02 RMM: 9 -0.325018691530E+03 0.54514E-05 -0.15369E-05 2537 0.111E-02 8012 T= 5942. E= 0.68464365E+03 F= 0.63548466E+03 E0= 0.66455997E+03 EK= 0.49159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324340845337E+03 0.67785E+00 -0.24363E-01 9060 0.234E+01 0.311E-01 RMM: 2 -0.324361461238E+03 -0.20616E-01 -0.15553E-01 5465 0.814E-01 0.105E+00 RMM: 3 -0.324352977136E+03 0.84841E-02 -0.12447E-02 5588 0.227E-01 0.264E-01 RMM: 4 -0.324352877898E+03 0.99238E-04 -0.16498E-03 4811 0.940E-02 0.277E-01 RMM: 5 -0.324352489320E+03 0.38858E-03 -0.44098E-04 4181 0.527E-02 0.174E-01 RMM: 6 -0.324352302971E+03 0.18635E-03 -0.16864E-04 3886 0.356E-02 0.729E-02 RMM: 7 -0.324352378130E+03 -0.75160E-04 -0.10248E-04 3802 0.264E-02 0.133E-01 RMM: 8 -0.324352267623E+03 0.11051E-03 -0.56001E-05 3342 0.224E-02 0.479E-02 RMM: 9 -0.324352253364E+03 0.14259E-04 -0.15334E-05 2520 0.114E-02 8013 T= 6039. E= 0.68585431E+03 F= 0.63589839E+03 E0= 0.66499100E+03 EK= 0.49956E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323948553996E+03 0.40371E+00 -0.22591E-01 8940 0.236E+01 0.295E-01 RMM: 2 -0.323970854787E+03 -0.22301E-01 -0.16043E-01 5278 0.854E-01 0.111E+00 RMM: 3 -0.323961450858E+03 0.94039E-02 -0.14567E-02 5599 0.239E-01 0.221E-01 RMM: 4 -0.323961484149E+03 -0.33291E-04 -0.15888E-03 4868 0.923E-02 0.291E-01 RMM: 5 -0.323961025713E+03 0.45844E-03 -0.47043E-04 4463 0.565E-02 0.158E-01 RMM: 6 -0.323960889658E+03 0.13606E-03 -0.14390E-04 3871 0.307E-02 0.779E-02 RMM: 7 -0.323960945117E+03 -0.55459E-04 -0.10140E-04 3765 0.267E-02 0.126E-01 RMM: 8 -0.323960842167E+03 0.10295E-03 -0.48926E-05 3273 0.214E-02 0.320E-02 RMM: 9 -0.323960840744E+03 0.14232E-05 -0.11846E-05 2495 0.947E-03 8014 T= 6284. E= 0.68803056E+03 F= 0.63604352E+03 E0= 0.66515684E+03 EK= 0.51987E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323908820667E+03 0.52021E-01 -0.20372E-01 8688 0.241E+01 0.282E-01 RMM: 2 -0.323930665307E+03 -0.21845E-01 -0.14554E-01 5150 0.827E-01 0.117E+00 RMM: 3 -0.323920586680E+03 0.10079E-01 -0.13785E-02 5564 0.235E-01 0.238E-01 RMM: 4 -0.323920330550E+03 0.25613E-03 -0.13525E-03 4783 0.834E-02 0.211E-01 RMM: 5 -0.323920197986E+03 0.13256E-03 -0.39179E-04 4360 0.522E-02 0.182E-01 RMM: 6 -0.323919999236E+03 0.19875E-03 -0.18727E-04 3880 0.367E-02 0.740E-02 RMM: 7 -0.323920078229E+03 -0.78993E-04 -0.10353E-04 3775 0.277E-02 0.134E-01 RMM: 8 -0.323919959487E+03 0.11874E-03 -0.50775E-05 3302 0.218E-02 0.338E-02 RMM: 9 -0.323919954743E+03 0.47449E-05 -0.10875E-05 2492 0.943E-03 8015 T= 6616. E= 0.69057541E+03 F= 0.63584584E+03 E0= 0.66498375E+03 EK= 0.54730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324224518216E+03 -0.30456E+00 -0.18805E-01 8232 0.246E+01 0.230E-01 RMM: 2 -0.324238865173E+03 -0.14347E-01 -0.11944E-01 5168 0.757E-01 0.784E-01 RMM: 3 -0.324234266098E+03 0.45991E-02 -0.10697E-02 5800 0.198E-01 0.194E-01 RMM: 4 -0.324234109325E+03 0.15677E-03 -0.89262E-04 4682 0.714E-02 0.209E-01 RMM: 5 -0.324233847005E+03 0.26232E-03 -0.39204E-04 4434 0.548E-02 0.122E-01 RMM: 6 -0.324233845400E+03 0.16049E-05 -0.15816E-04 3880 0.324E-02 8016 T= 6918. E= 0.69253171E+03 F= 0.63530047E+03 E0= 0.66446495E+03 EK= 0.57231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324825638771E+03 -0.59179E+00 -0.18466E-01 8208 0.249E+01 0.384E-01 RMM: 2 -0.324860048135E+03 -0.34409E-01 -0.12463E-01 5202 0.815E-01 0.190E+00 RMM: 3 -0.324835050106E+03 0.24998E-01 -0.16747E-02 5371 0.305E-01 0.366E-01 RMM: 4 -0.324834238049E+03 0.81206E-03 -0.19922E-03 4830 0.914E-02 0.172E-01 RMM: 5 -0.324834180426E+03 0.57623E-04 -0.55390E-04 4590 0.636E-02 0.193E-01 RMM: 6 -0.324834004218E+03 0.17621E-03 -0.37351E-04 4280 0.521E-02 0.124E-01 RMM: 7 -0.324834126081E+03 -0.12186E-03 -0.19564E-04 3890 0.372E-02 0.186E-01 RMM: 8 -0.324833916892E+03 0.20919E-03 -0.12241E-04 3870 0.333E-02 0.666E-02 RMM: 9 -0.324833894453E+03 0.22438E-04 -0.23561E-05 2744 0.144E-02 0.413E-02 RMM: 10 -0.324833895519E+03 -0.10658E-05 -0.21910E-05 2548 0.138E-02 8017 T= 7061. E= 0.69288547E+03 F= 0.63447350E+03 E0= 0.66366423E+03 EK= 0.58412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325601026882E+03 -0.76713E+00 -0.19178E-01 8388 0.249E+01 0.339E-01 RMM: 2 -0.325630436790E+03 -0.29410E-01 -0.13516E-01 5111 0.843E-01 0.166E+00 RMM: 3 -0.325611839526E+03 0.18597E-01 -0.16454E-02 5388 0.295E-01 0.381E-01 RMM: 4 -0.325610887760E+03 0.95177E-03 -0.19806E-03 4923 0.940E-02 0.144E-01 RMM: 5 -0.325610860436E+03 0.27324E-04 -0.41406E-04 4413 0.539E-02 0.167E-01 RMM: 6 -0.325610695422E+03 0.16501E-03 -0.16751E-04 3887 0.345E-02 0.764E-02 RMM: 7 -0.325610787914E+03 -0.92492E-04 -0.10577E-04 3807 0.268E-02 0.142E-01 RMM: 8 -0.325610658828E+03 0.12909E-03 -0.58277E-05 3380 0.230E-02 0.423E-02 RMM: 9 -0.325610648703E+03 0.10125E-04 -0.13723E-05 2510 0.109E-02 8018 T= 6970. E= 0.69113065E+03 F= 0.63347063E+03 E0= 0.66268404E+03 EK= 0.57660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326446967003E+03 -0.83631E+00 -0.19533E-01 8376 0.245E+01 0.260E-01 RMM: 2 -0.326462600356E+03 -0.15633E-01 -0.12950E-01 5176 0.796E-01 0.823E-01 RMM: 3 -0.326457564655E+03 0.50357E-02 -0.12251E-02 5784 0.212E-01 0.195E-01 RMM: 4 -0.326457537073E+03 0.27582E-04 -0.10468E-03 4717 0.786E-02 0.265E-01 RMM: 5 -0.326457090702E+03 0.44637E-03 -0.43169E-04 4443 0.556E-02 0.127E-01 RMM: 6 -0.326457133870E+03 -0.43168E-04 -0.24704E-04 3904 0.404E-02 0.156E-01 RMM: 7 -0.326457107998E+03 0.25872E-04 -0.12340E-04 3841 0.315E-02 0.147E-01 RMM: 8 -0.326456969626E+03 0.13837E-03 -0.64682E-05 3446 0.233E-02 0.391E-02 RMM: 9 -0.326456966453E+03 0.31731E-05 -0.17441E-05 2528 0.119E-02 8019 T= 6679. E= 0.68764977E+03 F= 0.63239512E+03 E0= 0.66162484E+03 EK= 0.55255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327287278121E+03 -0.83031E+00 -0.19424E-01 8760 0.239E+01 0.280E-01 RMM: 2 -0.327306943130E+03 -0.19665E-01 -0.12311E-01 5187 0.771E-01 0.118E+00 RMM: 3 -0.327296904715E+03 0.10038E-01 -0.11954E-02 5593 0.226E-01 0.220E-01 RMM: 4 -0.327296782159E+03 0.12256E-03 -0.12777E-03 4701 0.821E-02 0.234E-01 RMM: 5 -0.327296452929E+03 0.32923E-03 -0.40852E-04 4404 0.539E-02 0.127E-01 RMM: 6 -0.327296402597E+03 0.50331E-04 -0.17018E-04 3885 0.341E-02 0.100E-01 RMM: 7 -0.327296451821E+03 -0.49224E-04 -0.92794E-05 3761 0.260E-02 0.134E-01 RMM: 8 -0.327296331135E+03 0.12069E-03 -0.52607E-05 3305 0.219E-02 0.344E-02 RMM: 9 -0.327296327325E+03 0.38099E-05 -0.11382E-05 2497 0.955E-03 8020 T= 6306. E= 0.68348854E+03 F= 0.63132064E+03 E0= 0.66055842E+03 EK= 0.52168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328076371428E+03 -0.78004E+00 -0.19092E-01 8808 0.233E+01 0.263E-01 RMM: 2 -0.328090729211E+03 -0.14358E-01 -0.12453E-01 5148 0.763E-01 0.760E-01 RMM: 3 -0.328086210119E+03 0.45191E-02 -0.11491E-02 5777 0.206E-01 0.186E-01 RMM: 4 -0.328086354324E+03 -0.14420E-03 -0.11732E-03 4749 0.844E-02 0.299E-01 RMM: 5 -0.328085820439E+03 0.53389E-03 -0.42958E-04 4341 0.548E-02 0.137E-01 RMM: 6 -0.328085759343E+03 0.61096E-04 -0.16643E-04 3890 0.337E-02 0.106E-01 RMM: 7 -0.328085783662E+03 -0.24319E-04 -0.10544E-04 3766 0.282E-02 0.128E-01 RMM: 8 -0.328085679413E+03 0.10425E-03 -0.51438E-05 3308 0.215E-02 0.331E-02 RMM: 9 -0.328085676783E+03 0.26295E-05 -0.11795E-05 2493 0.958E-03 8021 T= 5981. E= 0.67976701E+03 F= 0.63028941E+03 E0= 0.65952748E+03 EK= 0.49478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328792059192E+03 -0.70638E+00 -0.18944E-01 8700 0.229E+01 0.278E-01 RMM: 2 -0.328810257493E+03 -0.18198E-01 -0.12951E-01 5145 0.785E-01 0.104E+00 RMM: 3 -0.328802227115E+03 0.80304E-02 -0.12570E-02 5628 0.228E-01 0.218E-01 RMM: 4 -0.328802277346E+03 -0.50231E-04 -0.13467E-03 4805 0.859E-02 0.287E-01 RMM: 5 -0.328801843069E+03 0.43428E-03 -0.42831E-04 4382 0.542E-02 0.158E-01 RMM: 6 -0.328801708372E+03 0.13470E-03 -0.15607E-04 3880 0.329E-02 0.767E-02 RMM: 7 -0.328801778171E+03 -0.69799E-04 -0.99156E-05 3759 0.263E-02 0.132E-01 RMM: 8 -0.328801666187E+03 0.11198E-03 -0.52075E-05 3315 0.219E-02 0.354E-02 RMM: 9 -0.328801660901E+03 0.52858E-05 -0.10897E-05 2491 0.933E-03 8022 T= 5795. E= 0.67726501E+03 F= 0.62932620E+03 E0= 0.65855647E+03 EK= 0.47939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329425610035E+03 -0.62394E+00 -0.19504E-01 8688 0.228E+01 0.276E-01 RMM: 2 -0.329441947860E+03 -0.16338E-01 -0.13643E-01 5155 0.808E-01 0.840E-01 RMM: 3 -0.329436573036E+03 0.53748E-02 -0.12642E-02 5703 0.220E-01 0.217E-01 RMM: 4 -0.329436591452E+03 -0.18416E-04 -0.13080E-03 4822 0.868E-02 0.284E-01 RMM: 5 -0.329436119425E+03 0.47203E-03 -0.44041E-04 4347 0.549E-02 0.143E-01 RMM: 6 -0.329436024164E+03 0.95261E-04 -0.14964E-04 3888 0.320E-02 0.904E-02 RMM: 7 -0.329436071375E+03 -0.47211E-04 -0.10461E-04 3777 0.273E-02 0.129E-01 RMM: 8 -0.329435965934E+03 0.10544E-03 -0.52246E-05 3299 0.218E-02 0.360E-02 RMM: 9 -0.329435960749E+03 0.51851E-05 -0.11276E-05 2489 0.941E-03 8023 T= 5790. E= 0.67633752E+03 F= 0.62844258E+03 E0= 0.65765851E+03 EK= 0.47895E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329988131645E+03 -0.55217E+00 -0.20470E-01 8748 0.230E+01 0.279E-01 RMM: 2 -0.330006329816E+03 -0.18198E-01 -0.14299E-01 5182 0.825E-01 0.938E-01 RMM: 3 -0.329999709395E+03 0.66204E-02 -0.13636E-02 5633 0.234E-01 0.250E-01 RMM: 4 -0.329999657002E+03 0.52392E-04 -0.13851E-03 4850 0.865E-02 0.274E-01 RMM: 5 -0.329999250658E+03 0.40634E-03 -0.39551E-04 4206 0.502E-02 0.158E-01 RMM: 6 -0.329999114148E+03 0.13651E-03 -0.14648E-04 3869 0.320E-02 0.781E-02 RMM: 7 -0.329999182056E+03 -0.67908E-04 -0.10944E-04 3789 0.269E-02 0.131E-01 RMM: 8 -0.329999069136E+03 0.11292E-03 -0.61399E-05 3416 0.234E-02 0.350E-02 RMM: 9 -0.329999064776E+03 0.43601E-05 -0.12882E-05 2503 0.103E-02 8024 T= 5964. E= 0.67697017E+03 F= 0.62763205E+03 E0= 0.65682709E+03 EK= 0.49338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330511632617E+03 -0.51256E+00 -0.21360E-01 8916 0.234E+01 0.305E-01 RMM: 2 -0.330531556149E+03 -0.19924E-01 -0.13754E-01 5268 0.823E-01 0.110E+00 RMM: 3 -0.330522693879E+03 0.88623E-02 -0.13030E-02 5541 0.241E-01 0.288E-01 RMM: 4 -0.330522415204E+03 0.27868E-03 -0.15892E-03 4864 0.906E-02 0.237E-01 RMM: 5 -0.330522185213E+03 0.22999E-03 -0.39694E-04 4175 0.504E-02 0.180E-01 RMM: 6 -0.330521994322E+03 0.19089E-03 -0.15358E-04 3871 0.338E-02 0.779E-02 RMM: 7 -0.330522074269E+03 -0.79947E-04 -0.12492E-04 3856 0.288E-02 0.138E-01 RMM: 8 -0.330521957925E+03 0.11634E-03 -0.67416E-05 3464 0.243E-02 0.486E-02 RMM: 9 -0.330521944452E+03 0.13472E-04 -0.13953E-05 2515 0.108E-02 8025 T= 6276. E= 0.67879052E+03 F= 0.62686701E+03 E0= 0.65603505E+03 EK= 0.51924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331026674849E+03 -0.50472E+00 -0.20861E-01 8760 0.239E+01 0.284E-01 RMM: 2 -0.331044527303E+03 -0.17852E-01 -0.13278E-01 5356 0.806E-01 0.972E-01 RMM: 3 -0.331037399099E+03 0.71282E-02 -0.12771E-02 5536 0.235E-01 0.263E-01 RMM: 4 -0.331037249338E+03 0.14976E-03 -0.13488E-03 4830 0.830E-02 0.237E-01 RMM: 5 -0.331036965971E+03 0.28337E-03 -0.35391E-04 4090 0.475E-02 0.163E-01 RMM: 6 -0.331036823218E+03 0.14275E-03 -0.15406E-04 3879 0.339E-02 0.826E-02 RMM: 7 -0.331036897346E+03 -0.74128E-04 -0.11419E-04 3811 0.279E-02 0.136E-01 RMM: 8 -0.331036777588E+03 0.11976E-03 -0.65596E-05 3450 0.242E-02 0.416E-02 RMM: 9 -0.331036769142E+03 0.84460E-05 -0.14942E-05 2521 0.113E-02 8026 T= 6639. E= 0.68103574E+03 F= 0.62611693E+03 E0= 0.65525109E+03 EK= 0.54919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331527380339E+03 -0.49060E+00 -0.19935E-01 8148 0.244E+01 0.275E-01 RMM: 2 -0.331547172806E+03 -0.19792E-01 -0.12177E-01 5189 0.789E-01 0.118E+00 RMM: 3 -0.331537184945E+03 0.99879E-02 -0.12901E-02 5542 0.235E-01 0.242E-01 RMM: 4 -0.331536907513E+03 0.27743E-03 -0.13586E-03 4796 0.837E-02 0.197E-01 RMM: 5 -0.331536749905E+03 0.15761E-03 -0.38335E-04 4358 0.523E-02 0.154E-01 RMM: 6 -0.331536625342E+03 0.12456E-03 -0.14288E-04 3877 0.319E-02 0.835E-02 RMM: 7 -0.331536676285E+03 -0.50943E-04 -0.10390E-04 3798 0.279E-02 0.122E-01 RMM: 8 -0.331536581841E+03 0.94444E-04 -0.47007E-05 3235 0.213E-02 0.445E-02 RMM: 9 -0.331536571466E+03 0.10375E-04 -0.12089E-05 2493 0.988E-03 8027 T= 6921. E= 0.68264461E+03 F= 0.62538824E+03 E0= 0.65448165E+03 EK= 0.57256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331936088177E+03 -0.39951E+00 -0.19374E-01 7836 0.247E+01 0.245E-01 RMM: 2 -0.331951280753E+03 -0.15193E-01 -0.95784E-02 5027 0.718E-01 0.104E+00 RMM: 3 -0.331943655709E+03 0.76250E-02 -0.10355E-02 5590 0.209E-01 0.197E-01 RMM: 4 -0.331943477190E+03 0.17852E-03 -0.95879E-04 4675 0.709E-02 0.185E-01 RMM: 5 -0.331943283557E+03 0.19363E-03 -0.42354E-04 4548 0.583E-02 0.123E-01 RMM: 6 -0.331943271746E+03 0.11812E-04 -0.16915E-04 3880 0.337E-02 8028 T= 7000. E= 0.68266280E+03 F= 0.62475656E+03 E0= 0.65380333E+03 EK= 0.57906E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332125445805E+03 -0.18216E+00 -0.18714E-01 8196 0.247E+01 0.386E-01 RMM: 2 -0.332159390407E+03 -0.33945E-01 -0.97052E-02 5180 0.754E-01 0.201E+00 RMM: 3 -0.332132622750E+03 0.26768E-01 -0.16061E-02 5363 0.306E-01 0.419E-01 RMM: 4 -0.332131484499E+03 0.11383E-02 -0.19685E-03 4806 0.919E-02 0.163E-01 RMM: 5 -0.332131427934E+03 0.56565E-04 -0.54769E-04 4572 0.635E-02 0.190E-01 RMM: 6 -0.332131248277E+03 0.17966E-03 -0.40924E-04 4542 0.560E-02 0.118E-01 RMM: 7 -0.332131391198E+03 -0.14292E-03 -0.20735E-04 3896 0.380E-02 0.189E-01 RMM: 8 -0.332131161982E+03 0.22922E-03 -0.12460E-04 3871 0.342E-02 0.569E-02 RMM: 9 -0.332131149548E+03 0.12434E-04 -0.23998E-05 2736 0.143E-02 8029 T= 6827. E= 0.68082492E+03 F= 0.62434421E+03 E0= 0.65333912E+03 EK= 0.56481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331995038156E+03 0.13612E+00 -0.19046E-01 8640 0.243E+01 0.392E-01 RMM: 2 -0.332036226655E+03 -0.41188E-01 -0.12126E-01 5083 0.828E-01 0.218E+00 RMM: 3 -0.332004136538E+03 0.32090E-01 -0.18287E-02 5390 0.322E-01 0.414E-01 RMM: 4 -0.332002962690E+03 0.11738E-02 -0.23399E-03 5028 0.102E-01 0.153E-01 RMM: 5 -0.332002992770E+03 -0.30080E-04 -0.46600E-04 4479 0.561E-02 0.193E-01 RMM: 6 -0.332002754961E+03 0.23781E-03 -0.19261E-04 3880 0.375E-02 0.700E-02 RMM: 7 -0.332002865902E+03 -0.11094E-03 -0.12526E-04 3851 0.290E-02 0.149E-01 RMM: 8 -0.332002725654E+03 0.14025E-03 -0.63250E-05 3449 0.243E-02 0.433E-02 RMM: 9 -0.332002716170E+03 0.94842E-05 -0.12332E-05 2511 0.103E-02 8030 T= 6472. E= 0.67778288E+03 F= 0.62424553E+03 E0= 0.65318741E+03 EK= 0.53537E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331535182539E+03 0.46754E+00 -0.18243E-01 8736 0.238E+01 0.311E-01 RMM: 2 -0.331556366954E+03 -0.21184E-01 -0.11077E-01 5117 0.770E-01 0.136E+00 RMM: 3 -0.331543634955E+03 0.12732E-01 -0.12515E-02 5452 0.247E-01 0.283E-01 RMM: 4 -0.331543197271E+03 0.43768E-03 -0.14498E-03 4726 0.836E-02 0.187E-01 RMM: 5 -0.331543089194E+03 0.10808E-03 -0.47163E-04 4545 0.595E-02 0.186E-01 RMM: 6 -0.331542921663E+03 0.16753E-03 -0.24159E-04 3898 0.412E-02 0.106E-01 RMM: 7 -0.331542992846E+03 -0.71184E-04 -0.15179E-04 3890 0.345E-02 0.151E-01 RMM: 8 -0.331542846110E+03 0.14674E-03 -0.71778E-05 3503 0.251E-02 0.425E-02 RMM: 9 -0.331542840651E+03 0.54592E-05 -0.14574E-05 2524 0.107E-02 8031 T= 6072. E= 0.67470218E+03 F= 0.62447407E+03 E0= 0.65336476E+03 EK= 0.50228E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330806485443E+03 0.73636E+00 -0.17304E-01 8808 0.231E+01 0.299E-01 RMM: 2 -0.330823601012E+03 -0.17116E-01 -0.97673E-02 5152 0.712E-01 0.118E+00 RMM: 3 -0.330813727101E+03 0.98739E-02 -0.10733E-02 5520 0.221E-01 0.239E-01 RMM: 4 -0.330813552745E+03 0.17436E-03 -0.12884E-03 4658 0.807E-02 0.231E-01 RMM: 5 -0.330813318967E+03 0.23378E-03 -0.42050E-04 4489 0.558E-02 0.166E-01 RMM: 6 -0.330813160139E+03 0.15883E-03 -0.17338E-04 3879 0.345E-02 0.778E-02 RMM: 7 -0.330813251588E+03 -0.91449E-04 -0.10403E-04 3758 0.272E-02 0.144E-01 RMM: 8 -0.330813115520E+03 0.13607E-03 -0.55009E-05 3368 0.226E-02 0.367E-02 RMM: 9 -0.330813109818E+03 0.57030E-05 -0.11328E-05 2507 0.961E-03 8032 T= 5763. E= 0.67264821E+03 F= 0.62496903E+03 E0= 0.65381268E+03 EK= 0.47679E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329902026040E+03 0.91109E+00 -0.16201E-01 8772 0.227E+01 0.292E-01 RMM: 2 -0.329917212784E+03 -0.15187E-01 -0.90789E-02 5128 0.680E-01 0.112E+00 RMM: 3 -0.329908542803E+03 0.86700E-02 -0.96317E-03 5569 0.207E-01 0.225E-01 RMM: 4 -0.329908515271E+03 0.27532E-04 -0.13165E-03 4683 0.846E-02 0.259E-01 RMM: 5 -0.329908193159E+03 0.32211E-03 -0.38336E-04 4236 0.516E-02 0.167E-01 RMM: 6 -0.329908026837E+03 0.16632E-03 -0.15455E-04 3877 0.335E-02 0.711E-02 RMM: 7 -0.329908087916E+03 -0.61080E-04 -0.98938E-05 3762 0.260E-02 0.125E-01 RMM: 8 -0.329907986445E+03 0.10147E-03 -0.48502E-05 3259 0.216E-02 0.341E-02 RMM: 9 -0.329907981359E+03 0.50859E-05 -0.10554E-05 2493 0.911E-03 8033 T= 5637. E= 0.67227369E+03 F= 0.62563901E+03 E0= 0.65444131E+03 EK= 0.46635E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328903081475E+03 0.10049E+01 -0.16389E-01 8448 0.226E+01 0.299E-01 RMM: 2 -0.328919539018E+03 -0.16458E-01 -0.96282E-02 5002 0.714E-01 0.117E+00 RMM: 3 -0.328910161315E+03 0.93777E-02 -0.10979E-02 5571 0.224E-01 0.238E-01 RMM: 4 -0.328910063409E+03 0.97906E-04 -0.13140E-03 4685 0.818E-02 0.252E-01 RMM: 5 -0.328909757582E+03 0.30583E-03 -0.37008E-04 4222 0.507E-02 0.158E-01 RMM: 6 -0.328909609512E+03 0.14807E-03 -0.14649E-04 3876 0.331E-02 0.638E-02 RMM: 7 -0.328909673587E+03 -0.64075E-04 -0.77227E-05 3567 0.230E-02 0.121E-01 RMM: 8 -0.328909577658E+03 0.95930E-04 -0.45063E-05 3200 0.212E-02 0.349E-02 RMM: 9 -0.328909571501E+03 0.61563E-05 -0.10335E-05 2490 0.935E-03 8034 T= 5731. E= 0.67381734E+03 F= 0.62640637E+03 E0= 0.65517354E+03 EK= 0.47411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327855419495E+03 0.10542E+01 -0.17067E-01 8148 0.230E+01 0.274E-01 RMM: 2 -0.327871721996E+03 -0.16303E-01 -0.99000E-02 5009 0.725E-01 0.112E+00 RMM: 3 -0.327862907895E+03 0.88141E-02 -0.10844E-02 5663 0.217E-01 0.211E-01 RMM: 4 -0.327862770638E+03 0.13726E-03 -0.11864E-03 4710 0.799E-02 0.217E-01 RMM: 5 -0.327862576257E+03 0.19438E-03 -0.32879E-04 4081 0.483E-02 0.160E-01 RMM: 6 -0.327862420087E+03 0.15617E-03 -0.13481E-04 3864 0.319E-02 0.619E-02 RMM: 7 -0.327862458061E+03 -0.37974E-04 -0.71497E-05 3510 0.230E-02 0.105E-01 RMM: 8 -0.327862388331E+03 0.69730E-04 -0.34236E-05 3021 0.190E-02 0.302E-02 RMM: 9 -0.327862384790E+03 0.35416E-05 -0.89595E-06 2468 0.841E-03 8035 T= 6034. E= 0.67714753E+03 F= 0.62723093E+03 E0= 0.65596983E+03 EK= 0.49917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326763860017E+03 0.10985E+01 -0.17775E-01 8172 0.237E+01 0.242E-01 RMM: 2 -0.326778015868E+03 -0.14156E-01 -0.98025E-02 5015 0.733E-01 0.963E-01 RMM: 3 -0.326771694894E+03 0.63210E-02 -0.10876E-02 5719 0.209E-01 0.196E-01 RMM: 4 -0.326771483882E+03 0.21101E-03 -0.89558E-04 4670 0.686E-02 0.184E-01 RMM: 5 -0.326771319462E+03 0.16442E-03 -0.30986E-04 4191 0.492E-02 0.128E-01 RMM: 6 -0.326771245422E+03 0.74041E-04 -0.13359E-04 3863 0.315E-02 0.792E-02 RMM: 7 -0.326771289020E+03 -0.43599E-04 -0.71390E-05 3513 0.233E-02 0.117E-01 RMM: 8 -0.326771197613E+03 0.91407E-04 -0.39373E-05 3125 0.199E-02 0.278E-02 RMM: 9 -0.326771195047E+03 0.25664E-05 -0.90513E-06 2476 0.857E-03 8036 T= 6476. E= 0.68168067E+03 F= 0.62811068E+03 E0= 0.65682772E+03 EK= 0.53570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325600832951E+03 0.11704E+01 -0.19053E-01 8004 0.246E+01 0.238E-01 RMM: 2 -0.325617561657E+03 -0.16729E-01 -0.12042E-01 4910 0.841E-01 0.988E-01 RMM: 3 -0.325610999577E+03 0.65621E-02 -0.13936E-02 5811 0.230E-01 0.200E-01 RMM: 4 -0.325610618802E+03 0.38077E-03 -0.91687E-04 4754 0.715E-02 0.149E-01 RMM: 5 -0.325610489286E+03 0.12952E-03 -0.28445E-04 4136 0.479E-02 0.110E-01 RMM: 6 -0.325610472048E+03 0.17238E-04 -0.13109E-04 3861 0.310E-02 8037 T= 6915. E= 0.68627845E+03 F= 0.62907149E+03 E0= 0.65777330E+03 EK= 0.57207E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324340825384E+03 0.12697E+01 -0.19112E-01 7920 0.253E+01 0.360E-01 RMM: 2 -0.324371087522E+03 -0.30262E-01 -0.11533E-01 5094 0.829E-01 0.179E+00 RMM: 3 -0.324349484882E+03 0.21603E-01 -0.17088E-02 5376 0.311E-01 0.298E-01 RMM: 4 -0.324348975326E+03 0.50956E-03 -0.17130E-03 4854 0.816E-02 0.152E-01 RMM: 5 -0.324348893983E+03 0.81342E-04 -0.39471E-04 4463 0.555E-02 0.164E-01 RMM: 6 -0.324348777502E+03 0.11648E-03 -0.25771E-04 3967 0.435E-02 0.111E-01 RMM: 7 -0.324348872435E+03 -0.94933E-04 -0.16067E-04 3884 0.348E-02 0.163E-01 RMM: 8 -0.324348702484E+03 0.16995E-03 -0.78904E-05 3596 0.268E-02 0.520E-02 RMM: 9 -0.324348690354E+03 0.12131E-04 -0.19764E-05 2563 0.129E-02 8038 T= 7172. E= 0.68947757E+03 F= 0.63014287E+03 E0= 0.65883330E+03 EK= 0.59335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322974693030E+03 0.13740E+01 -0.19524E-01 7848 0.254E+01 0.322E-01 RMM: 2 -0.323003090900E+03 -0.28398E-01 -0.11658E-01 4948 0.836E-01 0.168E+00 RMM: 3 -0.322984002116E+03 0.19089E-01 -0.15267E-02 5388 0.290E-01 0.337E-01 RMM: 4 -0.322983260588E+03 0.74153E-03 -0.18279E-03 5014 0.920E-02 0.144E-01 RMM: 5 -0.322983266000E+03 -0.54119E-05 -0.36226E-04 4235 0.496E-02 0.170E-01 RMM: 6 -0.322983080948E+03 0.18505E-03 -0.14499E-04 3870 0.330E-02 0.518E-02 RMM: 7 -0.322983142236E+03 -0.61288E-04 -0.75535E-05 3558 0.228E-02 0.113E-01 RMM: 8 -0.322983058299E+03 0.83937E-04 -0.41646E-05 3116 0.208E-02 0.281E-02 RMM: 9 -0.322983054387E+03 0.39123E-05 -0.92854E-06 2469 0.873E-03 8039 T= 7123. E= 0.69024962E+03 F= 0.63132407E+03 E0= 0.66000691E+03 EK= 0.58926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321547964826E+03 0.14351E+01 -0.19700E-01 7800 0.251E+01 0.318E-01 RMM: 2 -0.321572190179E+03 -0.24225E-01 -0.11238E-01 4878 0.828E-01 0.152E+00 RMM: 3 -0.321556587949E+03 0.15602E-01 -0.15037E-02 5392 0.283E-01 0.250E-01 RMM: 4 -0.321556295914E+03 0.29204E-03 -0.15106E-03 4900 0.837E-02 0.174E-01 RMM: 5 -0.321556184687E+03 0.11123E-03 -0.34539E-04 4229 0.491E-02 0.152E-01 RMM: 6 -0.321556060907E+03 0.12378E-03 -0.14214E-04 3872 0.322E-02 0.774E-02 RMM: 7 -0.321556113462E+03 -0.52554E-04 -0.10285E-04 3763 0.274E-02 0.120E-01 RMM: 8 -0.321556020792E+03 0.92670E-04 -0.51022E-05 3297 0.223E-02 0.406E-02 RMM: 9 -0.321556012119E+03 0.86734E-05 -0.12335E-05 2496 0.103E-02 8040 T= 6790. E= 0.68874162E+03 F= 0.63256895E+03 E0= 0.66124588E+03 EK= 0.56173E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320136403853E+03 0.14196E+01 -0.19099E-01 7812 0.244E+01 0.273E-01 RMM: 2 -0.320153552929E+03 -0.17149E-01 -0.10934E-01 4781 0.813E-01 0.111E+00 RMM: 3 -0.320145100641E+03 0.84523E-02 -0.13343E-02 5513 0.249E-01 0.199E-01 RMM: 4 -0.320145135104E+03 -0.34463E-04 -0.11774E-03 4837 0.784E-02 0.247E-01 RMM: 5 -0.320144783036E+03 0.35207E-03 -0.28833E-04 4078 0.445E-02 0.117E-01 RMM: 6 -0.320144707813E+03 0.75223E-04 -0.11394E-04 3752 0.299E-02 0.598E-02 RMM: 7 -0.320144744072E+03 -0.36259E-04 -0.54055E-05 3264 0.206E-02 0.100E-01 RMM: 8 -0.320144677292E+03 0.66780E-04 -0.34963E-05 2957 0.193E-02 0.283E-02 RMM: 9 -0.320144674693E+03 0.25997E-05 -0.10802E-05 2472 0.957E-03 8041 T= 6328. E= 0.68614911E+03 F= 0.63379776E+03 E0= 0.66247046E+03 EK= 0.52351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318822879359E+03 0.13218E+01 -0.17921E-01 7656 0.236E+01 0.281E-01 RMM: 2 -0.318842453652E+03 -0.19574E-01 -0.11522E-01 4736 0.835E-01 0.122E+00 RMM: 3 -0.318831955812E+03 0.10498E-01 -0.14175E-02 5498 0.254E-01 0.177E-01 RMM: 4 -0.318832111942E+03 -0.15613E-03 -0.13954E-03 5002 0.876E-02 0.270E-01 RMM: 5 -0.318831712919E+03 0.39902E-03 -0.32609E-04 4045 0.463E-02 0.133E-01 RMM: 6 -0.318831602483E+03 0.11044E-03 -0.98091E-05 3644 0.274E-02 0.498E-02 RMM: 7 -0.318831634072E+03 -0.31590E-04 -0.57339E-05 3322 0.210E-02 0.902E-02 RMM: 8 -0.318831582500E+03 0.51572E-04 -0.31907E-05 2942 0.185E-02 0.299E-02 RMM: 9 -0.318831579008E+03 0.34923E-05 -0.95277E-06 2468 0.881E-03 8042 T= 5918. E= 0.68388559E+03 F= 0.63492728E+03 E0= 0.66359717E+03 EK= 0.48958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317671012627E+03 0.11606E+01 -0.16985E-01 7680 0.230E+01 0.255E-01 RMM: 2 -0.317683893307E+03 -0.12881E-01 -0.98212E-02 4766 0.768E-01 0.862E-01 RMM: 3 -0.317678862416E+03 0.50309E-02 -0.11918E-02 5644 0.225E-01 0.184E-01 RMM: 4 -0.317678996254E+03 -0.13384E-03 -0.10690E-03 4826 0.780E-02 0.270E-01 RMM: 5 -0.317678556002E+03 0.44025E-03 -0.29576E-04 4044 0.451E-02 0.117E-01 RMM: 6 -0.317678476566E+03 0.79436E-04 -0.10005E-04 3676 0.281E-02 0.540E-02 RMM: 7 -0.317678509520E+03 -0.32954E-04 -0.48983E-05 3171 0.197E-02 0.945E-02 RMM: 8 -0.317678451302E+03 0.58218E-04 -0.31806E-05 2856 0.183E-02 0.274E-02 RMM: 9 -0.317678449695E+03 0.16071E-05 -0.11123E-05 2468 0.962E-03 8043 T= 5687. E= 0.68294573E+03 F= 0.63589728E+03 E0= 0.66456646E+03 EK= 0.47048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316706199311E+03 0.97225E+00 -0.17124E-01 7764 0.229E+01 0.248E-01 RMM: 2 -0.316720772712E+03 -0.14573E-01 -0.99140E-02 4814 0.764E-01 0.991E-01 RMM: 3 -0.316714082378E+03 0.66903E-02 -0.11813E-02 5681 0.219E-01 0.161E-01 RMM: 4 -0.316714126568E+03 -0.44190E-04 -0.10544E-03 4796 0.778E-02 0.240E-01 RMM: 5 -0.316713814553E+03 0.31202E-03 -0.27603E-04 3960 0.446E-02 0.121E-01 RMM: 6 -0.316713723044E+03 0.91509E-04 -0.84247E-05 3561 0.259E-02 0.515E-02 RMM: 7 -0.316713752983E+03 -0.29939E-04 -0.57788E-05 3325 0.213E-02 0.888E-02 RMM: 8 -0.316713700409E+03 0.52573E-04 -0.31482E-05 2918 0.185E-02 0.253E-02 RMM: 9 -0.316713698936E+03 0.14729E-05 -0.85032E-06 2462 0.818E-03 8044 T= 5694. E= 0.68379079E+03 F= 0.63668234E+03 E0= 0.66535310E+03 EK= 0.47108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315927354570E+03 0.78635E+00 -0.17137E-01 7740 0.232E+01 0.228E-01 RMM: 2 -0.315939615348E+03 -0.12261E-01 -0.86649E-02 4937 0.716E-01 0.878E-01 RMM: 3 -0.315934291507E+03 0.53238E-02 -0.99522E-03 5701 0.200E-01 0.167E-01 RMM: 4 -0.315934200309E+03 0.91198E-04 -0.81087E-04 4659 0.679E-02 0.195E-01 RMM: 5 -0.315933990552E+03 0.20976E-03 -0.23292E-04 3924 0.420E-02 0.112E-01 RMM: 6 -0.315933928241E+03 0.62311E-04 -0.97515E-05 3674 0.281E-02 0.651E-02 RMM: 7 -0.315933965460E+03 -0.37220E-04 -0.56612E-05 3315 0.213E-02 0.103E-01 RMM: 8 -0.315933894606E+03 0.70854E-04 -0.33792E-05 2965 0.189E-02 0.270E-02 RMM: 9 -0.315933892231E+03 0.23758E-05 -0.97953E-06 2468 0.892E-03 8045 T= 5941. E= 0.68643884E+03 F= 0.63728921E+03 E0= 0.66596435E+03 EK= 0.49150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315302607507E+03 0.63129E+00 -0.18653E-01 7788 0.239E+01 0.222E-01 RMM: 2 -0.315317443386E+03 -0.14836E-01 -0.10312E-01 4979 0.774E-01 0.968E-01 RMM: 3 -0.315311093792E+03 0.63496E-02 -0.11637E-02 5777 0.210E-01 0.172E-01 RMM: 4 -0.315310852311E+03 0.24148E-03 -0.80968E-04 4664 0.675E-02 0.161E-01 RMM: 5 -0.315310715189E+03 0.13712E-03 -0.21348E-04 3909 0.410E-02 0.103E-01 RMM: 6 -0.315310669313E+03 0.45876E-04 -0.86843E-05 3595 0.260E-02 0.741E-02 RMM: 7 -0.315310693874E+03 -0.24561E-04 -0.73371E-05 3613 0.242E-02 0.101E-01 RMM: 8 -0.315310625535E+03 0.68340E-04 -0.34669E-05 3009 0.186E-02 0.280E-02 RMM: 9 -0.315310623176E+03 0.23581E-05 -0.99584E-06 2469 0.891E-03 8046 T= 6370. E= 0.69044524E+03 F= 0.63774866E+03 E0= 0.66643003E+03 EK= 0.52697E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314787795076E+03 0.52283E+00 -0.20490E-01 7920 0.247E+01 0.226E-01 RMM: 2 -0.314805142228E+03 -0.17347E-01 -0.12193E-01 5011 0.833E-01 0.101E+00 RMM: 3 -0.314798014567E+03 0.71277E-02 -0.13538E-02 5774 0.225E-01 0.185E-01 RMM: 4 -0.314797674594E+03 0.33997E-03 -0.86769E-04 4711 0.680E-02 0.148E-01 RMM: 5 -0.314797548004E+03 0.12659E-03 -0.20504E-04 3917 0.403E-02 0.994E-02 RMM: 6 -0.314797518783E+03 0.29221E-04 -0.93689E-05 3640 0.267E-02 0.859E-02 RMM: 7 -0.314797538800E+03 -0.20017E-04 -0.80261E-05 3739 0.249E-02 0.108E-01 RMM: 8 -0.314797459296E+03 0.79505E-04 -0.38587E-05 3073 0.191E-02 0.300E-02 RMM: 9 -0.314797456731E+03 0.25642E-05 -0.12263E-05 2477 0.995E-03 8047 T= 6850. E= 0.69477672E+03 F= 0.63810768E+03 E0= 0.66679638E+03 EK= 0.56669E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314336617218E+03 0.46084E+00 -0.21757E-01 7908 0.254E+01 0.218E-01 RMM: 2 -0.314355498464E+03 -0.18881E-01 -0.14759E-01 4931 0.910E-01 0.952E-01 RMM: 3 -0.314349402256E+03 0.60962E-02 -0.16916E-02 5931 0.239E-01 0.188E-01 RMM: 4 -0.314348948394E+03 0.45386E-03 -0.90930E-04 4755 0.721E-02 0.147E-01 RMM: 5 -0.314348817614E+03 0.13078E-03 -0.20773E-04 3918 0.405E-02 0.910E-02 RMM: 6 -0.314348798763E+03 0.18850E-04 -0.80096E-05 3543 0.245E-02 8048 T= 7193. E= 0.69791588E+03 F= 0.63841047E+03 E0= 0.66710402E+03 EK= 0.59505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313935124773E+03 0.41369E+00 -0.22058E-01 8172 0.256E+01 0.380E-01 RMM: 2 -0.313975863100E+03 -0.40738E-01 -0.14813E-01 5022 0.923E-01 0.209E+00 RMM: 3 -0.313946688496E+03 0.29175E-01 -0.20498E-02 5391 0.335E-01 0.357E-01 RMM: 4 -0.313945845066E+03 0.84343E-03 -0.22302E-03 5069 0.946E-02 0.152E-01 RMM: 5 -0.313945806735E+03 0.38332E-04 -0.37633E-04 4127 0.486E-02 0.162E-01 RMM: 6 -0.313945651033E+03 0.15570E-03 -0.17062E-04 3884 0.355E-02 0.830E-02 RMM: 7 -0.313945715795E+03 -0.64762E-04 -0.13491E-04 3888 0.314E-02 0.130E-01 RMM: 8 -0.313945618225E+03 0.97570E-04 -0.65467E-05 3469 0.238E-02 0.631E-02 RMM: 9 -0.313945593356E+03 0.24869E-04 -0.21389E-05 2600 0.139E-02 0.267E-02 RMM: 10 -0.313945598852E+03 -0.54962E-05 -0.12906E-05 2488 0.102E-02 8049 T= 7238. E= 0.69854720E+03 F= 0.63867332E+03 E0= 0.66737079E+03 EK= 0.59874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313595465569E+03 0.35013E+00 -0.21814E-01 7812 0.254E+01 0.344E-01 RMM: 2 -0.313630397636E+03 -0.34932E-01 -0.16287E-01 4839 0.975E-01 0.178E+00 RMM: 3 -0.313608908226E+03 0.21489E-01 -0.21302E-02 5450 0.331E-01 0.373E-01 RMM: 4 -0.313607942422E+03 0.96580E-03 -0.23067E-03 5183 0.104E-01 0.139E-01 RMM: 5 -0.313607947387E+03 -0.49646E-05 -0.39448E-04 4123 0.483E-02 0.163E-01 RMM: 6 -0.313607777963E+03 0.16942E-03 -0.13338E-04 3868 0.315E-02 0.519E-02 RMM: 7 -0.313607804592E+03 -0.26629E-04 -0.48130E-05 3208 0.188E-02 0.865E-02 RMM: 8 -0.313607762968E+03 0.41624E-04 -0.33942E-05 2783 0.190E-02 0.384E-02 RMM: 9 -0.313607754126E+03 0.88418E-05 -0.10817E-05 2471 0.101E-02 8050 T= 6963. E= 0.69647541E+03 F= 0.63887317E+03 E0= 0.66756813E+03 EK= 0.57602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313376656647E+03 0.23111E+00 -0.20596E-01 7764 0.246E+01 0.269E-01 RMM: 2 -0.313396205606E+03 -0.19549E-01 -0.14418E-01 5003 0.902E-01 0.105E+00 RMM: 3 -0.313388551684E+03 0.76539E-02 -0.16181E-02 5825 0.248E-01 0.193E-01 RMM: 4 -0.313388381634E+03 0.17005E-03 -0.11935E-03 4798 0.807E-02 0.231E-01 RMM: 5 -0.313388104161E+03 0.27747E-03 -0.27358E-04 3953 0.422E-02 0.133E-01 RMM: 6 -0.313388001538E+03 0.10262E-03 -0.10049E-04 3656 0.281E-02 0.592E-02 RMM: 7 -0.313388050526E+03 -0.48988E-04 -0.73986E-05 3558 0.234E-02 0.107E-01 RMM: 8 -0.313387975052E+03 0.75475E-04 -0.39907E-05 3060 0.197E-02 0.337E-02 RMM: 9 -0.313387971042E+03 0.40099E-05 -0.13999E-05 2491 0.107E-02 8051 T= 6505. E= 0.69277102E+03 F= 0.63895475E+03 E0= 0.66764194E+03 EK= 0.53816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313334423764E+03 0.53551E-01 -0.19239E-01 7800 0.238E+01 0.254E-01 RMM: 2 -0.313353153339E+03 -0.18730E-01 -0.14477E-01 4941 0.892E-01 0.965E-01 RMM: 3 -0.313346451884E+03 0.67015E-02 -0.16057E-02 5874 0.242E-01 0.200E-01 RMM: 4 -0.313346194120E+03 0.25776E-03 -0.11605E-03 4831 0.812E-02 0.214E-01 RMM: 5 -0.313345966995E+03 0.22712E-03 -0.25971E-04 3904 0.412E-02 0.125E-01 RMM: 6 -0.313345863131E+03 0.10386E-03 -0.80919E-05 3538 0.263E-02 0.420E-02 RMM: 7 -0.313345882718E+03 -0.19588E-04 -0.34571E-05 2904 0.174E-02 8052 T= 6057. E= 0.68896310E+03 F= 0.63885726E+03 E0= 0.66753147E+03 EK= 0.50106E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313506983101E+03 -0.16112E+00 -0.17529E-01 8088 0.232E+01 0.271E-01 RMM: 2 -0.313524320554E+03 -0.17337E-01 -0.12073E-01 5033 0.818E-01 0.103E+00 RMM: 3 -0.313516696893E+03 0.76237E-02 -0.13781E-02 5723 0.237E-01 0.208E-01 RMM: 4 -0.313516468177E+03 0.22872E-03 -0.11626E-03 4726 0.775E-02 0.200E-01 RMM: 5 -0.313516248003E+03 0.22017E-03 -0.22921E-04 3882 0.377E-02 0.110E-01 RMM: 6 -0.313516179904E+03 0.68099E-04 -0.66404E-05 3434 0.234E-02 0.549E-02 RMM: 7 -0.313516206784E+03 -0.26880E-04 -0.56158E-05 3293 0.208E-02 0.886E-02 RMM: 8 -0.313516157726E+03 0.49058E-04 -0.39284E-05 3022 0.194E-02 0.373E-02 RMM: 9 -0.313516150862E+03 0.68641E-05 -0.12578E-05 2484 0.105E-02 8053 T= 5764. E= 0.68622647E+03 F= 0.63854655E+03 E0= 0.66720390E+03 EK= 0.47680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.313881984110E+03 -0.36583E+00 -0.16772E-01 8052 0.229E+01 0.235E-01 RMM: 2 -0.313898732413E+03 -0.16748E-01 -0.11976E-01 4949 0.805E-01 0.974E-01 RMM: 3 -0.313891887550E+03 0.68449E-02 -0.13225E-02 5847 0.220E-01 0.175E-01 RMM: 4 -0.313891731341E+03 0.15621E-03 -0.10211E-03 4721 0.762E-02 0.204E-01 RMM: 5 -0.313891510332E+03 0.22101E-03 -0.23208E-04 3892 0.393E-02 0.112E-01 RMM: 6 -0.313891430583E+03 0.79749E-04 -0.73111E-05 3461 0.251E-02 0.412E-02 RMM: 7 -0.313891450543E+03 -0.19960E-04 -0.32036E-05 2812 0.167E-02 8054 T= 5695. E= 0.68514597E+03 F= 0.63803187E+03 E0= 0.66666966E+03 EK= 0.47114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314408164271E+03 -0.51673E+00 -0.16308E-01 7944 0.232E+01 0.217E-01 RMM: 2 -0.314422678851E+03 -0.14515E-01 -0.11210E-01 4972 0.780E-01 0.844E-01 RMM: 3 -0.314417679371E+03 0.49995E-02 -0.13046E-02 5877 0.213E-01 0.179E-01 RMM: 4 -0.314417363986E+03 0.31538E-03 -0.81493E-04 4685 0.661E-02 0.149E-01 RMM: 5 -0.314417238167E+03 0.12582E-03 -0.16694E-04 3885 0.343E-02 0.915E-02 RMM: 6 -0.314417203287E+03 0.34881E-04 -0.58259E-05 3322 0.216E-02 0.654E-02 RMM: 7 -0.314417221319E+03 -0.18033E-04 -0.64340E-05 3497 0.223E-02 8055 T= 5857. E= 0.68582207E+03 F= 0.63737026E+03 E0= 0.66598720E+03 EK= 0.48452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314987727215E+03 -0.57052E+00 -0.17953E-01 7740 0.238E+01 0.208E-01 RMM: 2 -0.315005824610E+03 -0.18097E-01 -0.13657E-01 4885 0.853E-01 0.933E-01 RMM: 3 -0.314999441221E+03 0.63834E-02 -0.15573E-02 5921 0.226E-01 0.159E-01 RMM: 4 -0.314999118265E+03 0.32296E-03 -0.84328E-04 4740 0.677E-02 0.152E-01 RMM: 5 -0.314998979475E+03 0.13879E-03 -0.17555E-04 3893 0.354E-02 0.891E-02 RMM: 6 -0.314998948981E+03 0.30494E-04 -0.73344E-05 3461 0.238E-02 0.680E-02 RMM: 7 -0.314998971093E+03 -0.22112E-04 -0.52405E-05 3216 0.209E-02 0.958E-02 RMM: 8 -0.314998909113E+03 0.61980E-04 -0.33022E-05 2859 0.182E-02 0.297E-02 RMM: 9 -0.314998904958E+03 0.41545E-05 -0.12080E-05 2473 0.100E-02 8056 T= 6199. E= 0.68793668E+03 F= 0.63665838E+03 E0= 0.66525503E+03 EK= 0.51278E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315501746403E+03 -0.50284E+00 -0.19871E-01 7716 0.247E+01 0.223E-01 RMM: 2 -0.315521812145E+03 -0.20066E-01 -0.14826E-01 4855 0.916E-01 0.101E+00 RMM: 3 -0.315514623118E+03 0.71890E-02 -0.17247E-02 5862 0.244E-01 0.193E-01 RMM: 4 -0.315514156760E+03 0.46636E-03 -0.99984E-04 4786 0.733E-02 0.127E-01 RMM: 5 -0.315514089698E+03 0.67062E-04 -0.18439E-04 3895 0.359E-02 0.103E-01 RMM: 6 -0.315514027443E+03 0.62256E-04 -0.71166E-05 3468 0.241E-02 0.513E-02 RMM: 7 -0.315514050373E+03 -0.22931E-04 -0.43042E-05 3076 0.195E-02 0.831E-02 RMM: 8 -0.315514003367E+03 0.47006E-04 -0.28694E-05 2710 0.171E-02 0.281E-02 RMM: 9 -0.315513999131E+03 0.42358E-05 -0.87908E-06 2459 0.853E-03 8057 T= 6611. E= 0.69070727E+03 F= 0.63601972E+03 E0= 0.66459808E+03 EK= 0.54688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315832376112E+03 -0.31837E+00 -0.20295E-01 7512 0.254E+01 0.201E-01 RMM: 2 -0.315849042933E+03 -0.16667E-01 -0.11958E-01 5021 0.813E-01 0.950E-01 RMM: 3 -0.315842652234E+03 0.63907E-02 -0.13516E-02 5778 0.218E-01 0.152E-01 RMM: 4 -0.315842389991E+03 0.26224E-03 -0.75393E-04 4717 0.620E-02 0.129E-01 RMM: 5 -0.315842275847E+03 0.11414E-03 -0.14507E-04 3883 0.326E-02 0.799E-02 RMM: 6 -0.315842266726E+03 0.91215E-05 -0.64539E-05 3393 0.220E-02 8058 T= 6936. E= 0.69295501E+03 F= 0.63557413E+03 E0= 0.66413792E+03 EK= 0.57381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315901469700E+03 -0.59194E-01 -0.20890E-01 7428 0.257E+01 0.297E-01 RMM: 2 -0.315925058125E+03 -0.23588E-01 -0.10311E-01 5083 0.774E-01 0.149E+00 RMM: 3 -0.315909498408E+03 0.15560E-01 -0.13723E-02 5376 0.269E-01 0.230E-01 RMM: 4 -0.315909207269E+03 0.29114E-03 -0.13375E-03 4786 0.707E-02 0.129E-01 RMM: 5 -0.315909136730E+03 0.70540E-04 -0.19621E-04 3912 0.382E-02 0.118E-01 RMM: 6 -0.315909057993E+03 0.78737E-04 -0.10916E-04 3870 0.291E-02 0.703E-02 RMM: 7 -0.315909105391E+03 -0.47397E-04 -0.85943E-05 3746 0.260E-02 0.112E-01 RMM: 8 -0.315909026224E+03 0.79167E-04 -0.49206E-05 3227 0.208E-02 0.526E-02 RMM: 9 -0.315909010749E+03 0.15475E-04 -0.18553E-05 2529 0.130E-02 8059 T= 7032. E= 0.69356489E+03 F= 0.63539487E+03 E0= 0.66395140E+03 EK= 0.58170E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315708132935E+03 0.20089E+00 -0.20555E-01 7332 0.256E+01 0.284E-01 RMM: 2 -0.315731972614E+03 -0.23840E-01 -0.10435E-01 4966 0.788E-01 0.149E+00 RMM: 3 -0.315716600593E+03 0.15372E-01 -0.13373E-02 5401 0.262E-01 0.288E-01 RMM: 4 -0.315716075062E+03 0.52553E-03 -0.15343E-03 4864 0.859E-02 0.151E-01 RMM: 5 -0.315716054794E+03 0.20268E-04 -0.27804E-04 3958 0.435E-02 0.149E-01 RMM: 6 -0.315715897865E+03 0.15693E-03 -0.10618E-04 3776 0.297E-02 0.423E-02 RMM: 7 -0.315715914508E+03 -0.16643E-04 -0.41006E-05 3054 0.184E-02 8060 T= 6854. E= 0.69218264E+03 F= 0.63547839E+03 E0= 0.66403397E+03 EK= 0.56704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315335147761E+03 0.38075E+00 -0.20166E-01 7608 0.250E+01 0.256E-01 RMM: 2 -0.315353870482E+03 -0.18723E-01 -0.10453E-01 5023 0.775E-01 0.122E+00 RMM: 3 -0.315343549267E+03 0.10321E-01 -0.12228E-02 5471 0.239E-01 0.215E-01 RMM: 4 -0.315343319966E+03 0.22930E-03 -0.11096E-03 4712 0.724E-02 0.151E-01 RMM: 5 -0.315343221484E+03 0.98481E-04 -0.19294E-04 3897 0.344E-02 0.122E-01 RMM: 6 -0.315343130484E+03 0.91000E-04 -0.84637E-05 3567 0.260E-02 0.550E-02 RMM: 7 -0.315343175808E+03 -0.45324E-04 -0.61203E-05 3386 0.217E-02 0.102E-01 RMM: 8 -0.315343110780E+03 0.65028E-04 -0.41785E-05 3017 0.198E-02 0.404E-02 RMM: 9 -0.315343101920E+03 0.88597E-05 -0.15194E-05 2501 0.117E-02 8061 T= 6494. E= 0.68946501E+03 F= 0.63574295E+03 E0= 0.66430554E+03 EK= 0.53722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314909296657E+03 0.43381E+00 -0.19676E-01 7944 0.242E+01 0.224E-01 RMM: 2 -0.314924876418E+03 -0.15580E-01 -0.11243E-01 4980 0.783E-01 0.938E-01 RMM: 3 -0.314918454226E+03 0.64222E-02 -0.12061E-02 5650 0.223E-01 0.166E-01 RMM: 4 -0.314918406919E+03 0.47307E-04 -0.95586E-04 4735 0.715E-02 0.202E-01 RMM: 5 -0.314918152101E+03 0.25482E-03 -0.18934E-04 3881 0.353E-02 0.962E-02 RMM: 6 -0.314918095866E+03 0.56234E-04 -0.52731E-05 3226 0.217E-02 0.439E-02 RMM: 7 -0.314918113626E+03 -0.17760E-04 -0.37358E-05 2909 0.182E-02 8062 T= 6108. E= 0.68659300E+03 F= 0.63606029E+03 E0= 0.66463633E+03 EK= 0.50533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314566901180E+03 0.35119E+00 -0.19440E-01 8520 0.235E+01 0.231E-01 RMM: 2 -0.314582651348E+03 -0.15750E-01 -0.11226E-01 5040 0.781E-01 0.956E-01 RMM: 3 -0.314576126568E+03 0.65248E-02 -0.12336E-02 5667 0.225E-01 0.194E-01 RMM: 4 -0.314575923244E+03 0.20332E-03 -0.97001E-04 4699 0.708E-02 0.168E-01 RMM: 5 -0.314575753395E+03 0.16985E-03 -0.16738E-04 3904 0.315E-02 0.962E-02 RMM: 6 -0.314575705539E+03 0.47856E-04 -0.47982E-05 3181 0.202E-02 0.563E-02 RMM: 7 -0.314575741037E+03 -0.35498E-04 -0.73908E-05 3605 0.232E-02 0.976E-02 RMM: 8 -0.314575678905E+03 0.62132E-04 -0.41138E-05 3064 0.190E-02 0.290E-02 RMM: 9 -0.314575677048E+03 0.18564E-05 -0.11857E-05 2478 0.986E-03 8063 T= 5839. E= 0.68460290E+03 F= 0.63629608E+03 E0= 0.66489240E+03 EK= 0.48307E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314417399874E+03 0.15828E+00 -0.19865E-01 8664 0.231E+01 0.207E-01 RMM: 2 -0.314432790145E+03 -0.15390E-01 -0.12254E-01 4977 0.789E-01 0.826E-01 RMM: 3 -0.314427636790E+03 0.51534E-02 -0.12935E-02 5786 0.218E-01 0.153E-01 RMM: 4 -0.314427514085E+03 0.12270E-03 -0.80447E-04 4711 0.650E-02 0.188E-01 RMM: 5 -0.314427277863E+03 0.23622E-03 -0.16061E-04 3897 0.326E-02 0.803E-02 RMM: 6 -0.314427244286E+03 0.33576E-04 -0.52121E-05 3232 0.210E-02 0.516E-02 RMM: 7 -0.314427265964E+03 -0.21678E-04 -0.38806E-05 2888 0.181E-02 0.821E-02 RMM: 8 -0.314427220178E+03 0.45786E-04 -0.37283E-05 2842 0.180E-02 0.220E-02 RMM: 9 -0.314427219791E+03 0.38664E-06 -0.98878E-06 2458 0.885E-03 8064 T= 5770. E= 0.68407669E+03 F= 0.63634016E+03 E0= 0.66496242E+03 EK= 0.47737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314534719186E+03 -0.10750E+00 -0.20370E-01 9084 0.232E+01 0.203E-01 RMM: 2 -0.314549498084E+03 -0.14779E-01 -0.11528E-01 5025 0.760E-01 0.823E-01 RMM: 3 -0.314544388166E+03 0.51099E-02 -0.11897E-02 5762 0.213E-01 0.204E-01 RMM: 4 -0.314544023229E+03 0.36494E-03 -0.80464E-04 4671 0.646E-02 0.117E-01 RMM: 5 -0.314543957953E+03 0.65276E-04 -0.13960E-04 3892 0.292E-02 0.982E-02 RMM: 6 -0.314543905436E+03 0.52517E-04 -0.44098E-05 3107 0.198E-02 0.534E-02 RMM: 7 -0.314543932222E+03 -0.26786E-04 -0.60319E-05 3404 0.210E-02 0.890E-02 RMM: 8 -0.314543882586E+03 0.49636E-04 -0.43165E-05 3040 0.193E-02 0.382E-02 RMM: 9 -0.314543874805E+03 0.77810E-05 -0.12871E-05 2484 0.103E-02 8065 T= 5926. E= 0.68514387E+03 F= 0.63612304E+03 E0= 0.66477704E+03 EK= 0.49021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.314937858852E+03 -0.39398E+00 -0.22327E-01 9072 0.236E+01 0.203E-01 RMM: 2 -0.314955456727E+03 -0.17598E-01 -0.13473E-01 5003 0.817E-01 0.913E-01 RMM: 3 -0.314949143735E+03 0.63130E-02 -0.13479E-02 5879 0.223E-01 0.160E-01 RMM: 4 -0.314948848018E+03 0.29572E-03 -0.74840E-04 4780 0.611E-02 0.128E-01 RMM: 5 -0.314948745161E+03 0.10286E-03 -0.13091E-04 3883 0.302E-02 0.784E-02 RMM: 6 -0.314948721790E+03 0.23371E-04 -0.47656E-05 3171 0.199E-02 0.631E-02 RMM: 7 -0.314948744932E+03 -0.23142E-04 -0.51275E-05 3246 0.200E-02 0.921E-02 RMM: 8 -0.314948687617E+03 0.57314E-04 -0.41946E-05 2990 0.190E-02 0.313E-02 RMM: 9 -0.314948683853E+03 0.37639E-05 -0.12546E-05 2472 0.986E-03 8066 T= 6271. E= 0.68749881E+03 F= 0.63562302E+03 E0= 0.66431334E+03 EK= 0.51876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315599417391E+03 -0.65073E+00 -0.24985E-01 9096 0.243E+01 0.178E-01 RMM: 2 -0.315617431736E+03 -0.18014E-01 -0.15167E-01 5042 0.850E-01 0.771E-01 RMM: 3 -0.315612471822E+03 0.49599E-02 -0.14409E-02 5925 0.225E-01 0.175E-01 RMM: 4 -0.315612075148E+03 0.39667E-03 -0.72613E-04 4656 0.619E-02 0.105E-01 RMM: 5 -0.315612017327E+03 0.57821E-04 -0.12952E-04 3883 0.299E-02 0.885E-02 RMM: 6 -0.315611982715E+03 0.34612E-04 -0.42616E-05 3064 0.191E-02 0.612E-02 RMM: 7 -0.315612002713E+03 -0.19998E-04 -0.61347E-05 3429 0.214E-02 8067 T= 6704. E= 0.69032963E+03 F= 0.63487022E+03 E0= 0.66359970E+03 EK= 0.55459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316438308794E+03 -0.82633E+00 -0.28194E-01 9156 0.250E+01 0.223E-01 RMM: 2 -0.316462017832E+03 -0.23709E-01 -0.18317E-01 4988 0.949E-01 0.102E+00 RMM: 3 -0.316454119028E+03 0.78988E-02 -0.18488E-02 5961 0.255E-01 0.211E-01 RMM: 4 -0.316453546095E+03 0.57293E-03 -0.96291E-04 4831 0.701E-02 0.111E-01 RMM: 5 -0.316453482920E+03 0.63175E-04 -0.15665E-04 3957 0.326E-02 0.897E-02 RMM: 6 -0.316453460804E+03 0.22116E-04 -0.53387E-05 3230 0.206E-02 0.775E-02 RMM: 7 -0.316453490071E+03 -0.29268E-04 -0.92224E-05 3840 0.248E-02 0.109E-01 RMM: 8 -0.316453414694E+03 0.75377E-04 -0.54783E-05 3315 0.213E-02 0.363E-02 RMM: 9 -0.316453412539E+03 0.21552E-05 -0.15053E-05 2503 0.111E-02 8068 T= 7061. E= 0.69236082E+03 F= 0.63394455E+03 E0= 0.66271456E+03 EK= 0.58416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317344628396E+03 -0.89121E+00 -0.32001E-01 9072 0.253E+01 0.229E-01 RMM: 2 -0.317369628324E+03 -0.25000E-01 -0.22046E-01 4890 0.106E+00 0.831E-01 RMM: 3 -0.317363715961E+03 0.59124E-02 -0.21855E-02 5965 0.284E-01 0.173E-01 RMM: 4 -0.317363314082E+03 0.40188E-03 -0.10977E-03 5063 0.739E-02 0.156E-01 RMM: 5 -0.317363193983E+03 0.12010E-03 -0.19086E-04 3902 0.359E-02 0.104E-01 RMM: 6 -0.317363132366E+03 0.61616E-04 -0.71159E-05 3433 0.240E-02 0.469E-02 RMM: 7 -0.317363149069E+03 -0.16703E-04 -0.37567E-05 2808 0.184E-02 8069 T= 7178. E= 0.69233790E+03 F= 0.63295449E+03 E0= 0.66176234E+03 EK= 0.59383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318224701684E+03 -0.86157E+00 -0.30203E-01 9108 0.252E+01 0.224E-01 RMM: 2 -0.318247108134E+03 -0.22406E-01 -0.18356E-01 5176 0.932E-01 0.920E-01 RMM: 3 -0.318240216063E+03 0.68921E-02 -0.16419E-02 6038 0.243E-01 0.202E-01 RMM: 4 -0.318239765456E+03 0.45061E-03 -0.91223E-04 4736 0.697E-02 0.133E-01 RMM: 5 -0.318239664982E+03 0.10047E-03 -0.16016E-04 3919 0.316E-02 0.913E-02 RMM: 6 -0.318239642642E+03 0.22341E-04 -0.56981E-05 3297 0.215E-02 0.747E-02 RMM: 7 -0.318239686309E+03 -0.43667E-04 -0.94098E-05 3868 0.247E-02 0.116E-01 RMM: 8 -0.318239602146E+03 0.84162E-04 -0.54388E-05 3313 0.210E-02 0.333E-02 RMM: 9 -0.318239600047E+03 0.20994E-05 -0.14737E-05 2499 0.113E-02 8070 T= 6992. E= 0.68983993E+03 F= 0.63200005E+03 E0= 0.66084105E+03 EK= 0.57840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319004439328E+03 -0.76484E+00 -0.27874E-01 8844 0.246E+01 0.229E-01 RMM: 2 -0.319024687893E+03 -0.20249E-01 -0.17359E-01 5223 0.906E-01 0.832E-01 RMM: 3 -0.319018874388E+03 0.58135E-02 -0.14516E-02 6037 0.234E-01 0.174E-01 RMM: 4 -0.319018666731E+03 0.20766E-03 -0.90338E-04 4765 0.687E-02 0.184E-01 RMM: 5 -0.319018489185E+03 0.17755E-03 -0.18514E-04 3895 0.346E-02 0.107E-01 RMM: 6 -0.319018418371E+03 0.70814E-04 -0.62434E-05 3360 0.235E-02 0.384E-02 RMM: 7 -0.319018434504E+03 -0.16134E-04 -0.28082E-05 2608 0.154E-02 8071 T= 6587. E= 0.68563478E+03 F= 0.63114418E+03 E0= 0.66001199E+03 EK= 0.54491E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319665470433E+03 -0.64705E+00 -0.23736E-01 8976 0.238E+01 0.222E-01 RMM: 2 -0.319683386224E+03 -0.17916E-01 -0.14091E-01 5438 0.797E-01 0.885E-01 RMM: 3 -0.319676809366E+03 0.65769E-02 -0.11096E-02 5690 0.214E-01 0.197E-01 RMM: 4 -0.319676587227E+03 0.22214E-03 -0.86719E-04 4717 0.649E-02 0.151E-01 RMM: 5 -0.319676460031E+03 0.12720E-03 -0.14903E-04 3886 0.299E-02 0.988E-02 RMM: 6 -0.319676409857E+03 0.50174E-04 -0.48799E-05 3188 0.205E-02 0.551E-02 RMM: 7 -0.319676449626E+03 -0.39768E-04 -0.64898E-05 3465 0.209E-02 0.102E-01 RMM: 8 -0.319676386467E+03 0.63159E-04 -0.64897E-05 3567 0.219E-02 0.345E-02 RMM: 9 -0.319676381300E+03 0.51666E-05 -0.12874E-05 2490 0.107E-02 8072 T= 6132. E= 0.68113943E+03 F= 0.63040948E+03 E0= 0.65929591E+03 EK= 0.50730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320209004680E+03 -0.53262E+00 -0.20690E-01 8724 0.231E+01 0.193E-01 RMM: 2 -0.320224130724E+03 -0.15126E-01 -0.12802E-01 5310 0.761E-01 0.737E-01 RMM: 3 -0.320219396906E+03 0.47338E-02 -0.10062E-02 5832 0.196E-01 0.153E-01 RMM: 4 -0.320219342332E+03 0.54574E-04 -0.73397E-04 4682 0.637E-02 0.192E-01 RMM: 5 -0.320219104220E+03 0.23811E-03 -0.16443E-04 3888 0.336E-02 0.743E-02 RMM: 6 -0.320219071286E+03 0.32933E-04 -0.38628E-05 3021 0.191E-02 0.397E-02 RMM: 7 -0.320219084373E+03 -0.13087E-04 -0.29934E-05 2592 0.154E-02 8073 T= 5781. E= 0.67761206E+03 F= 0.62979058E+03 E0= 0.65868752E+03 EK= 0.47821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320654276886E+03 -0.43521E+00 -0.18156E-01 8796 0.226E+01 0.181E-01 RMM: 2 -0.320666763062E+03 -0.12486E-01 -0.10409E-01 5375 0.703E-01 0.702E-01 RMM: 3 -0.320662707972E+03 0.40551E-02 -0.84949E-03 5829 0.184E-01 0.151E-01 RMM: 4 -0.320662562142E+03 0.14583E-03 -0.56332E-04 4659 0.532E-02 0.126E-01 RMM: 5 -0.320662460977E+03 0.10116E-03 -0.95317E-05 3653 0.246E-02 0.748E-02 RMM: 6 -0.320662441002E+03 0.19976E-04 -0.33571E-05 2872 0.177E-02 8074 T= 5623. E= 0.67578823E+03 F= 0.62927267E+03 E0= 0.65817083E+03 EK= 0.46516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321018300723E+03 -0.35584E+00 -0.17179E-01 8544 0.226E+01 0.294E-01 RMM: 2 -0.321042597942E+03 -0.24297E-01 -0.10539E-01 5144 0.720E-01 0.153E+00 RMM: 3 -0.321026460075E+03 0.16138E-01 -0.13200E-02 5396 0.264E-01 0.270E-01 RMM: 4 -0.321025981543E+03 0.47853E-03 -0.13159E-03 4809 0.713E-02 0.113E-01 RMM: 5 -0.321025923217E+03 0.58326E-04 -0.16093E-04 3892 0.332E-02 0.105E-01 RMM: 6 -0.321025857665E+03 0.65552E-04 -0.55020E-05 3238 0.213E-02 0.604E-02 RMM: 7 -0.321025881708E+03 -0.24043E-04 -0.60020E-05 3396 0.215E-02 0.924E-02 RMM: 8 -0.321025827534E+03 0.54174E-04 -0.81746E-05 3828 0.211E-02 0.464E-02 RMM: 9 -0.321025814593E+03 0.12941E-04 -0.16499E-05 2539 0.119E-02 8075 T= 5692. E= 0.67592280E+03 F= 0.62883791E+03 E0= 0.65772761E+03 EK= 0.47085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321326803027E+03 -0.30098E+00 -0.17262E-01 8604 0.229E+01 0.310E-01 RMM: 2 -0.321353952635E+03 -0.27150E-01 -0.10542E-01 5139 0.737E-01 0.167E+00 RMM: 3 -0.321335161464E+03 0.18791E-01 -0.13348E-02 5395 0.265E-01 0.339E-01 RMM: 4 -0.321334350977E+03 0.81049E-03 -0.16332E-03 4800 0.865E-02 0.119E-01 RMM: 5 -0.321334367516E+03 -0.16539E-04 -0.24214E-04 3886 0.391E-02 0.139E-01 RMM: 6 -0.321334234964E+03 0.13255E-03 -0.73474E-05 3507 0.252E-02 0.422E-02 RMM: 7 -0.321334238929E+03 -0.39649E-05 -0.28462E-05 2712 0.158E-02 8076 T= 5974. E= 0.67788691E+03 F= 0.62846268E+03 E0= 0.65733295E+03 EK= 0.49424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321617485030E+03 -0.28325E+00 -0.17916E-01 8676 0.235E+01 0.212E-01 RMM: 2 -0.321634659010E+03 -0.17174E-01 -0.10154E-01 5278 0.707E-01 0.111E+00 RMM: 3 -0.321625795900E+03 0.88631E-02 -0.97400E-03 5520 0.207E-01 0.202E-01 RMM: 4 -0.321625489123E+03 0.30678E-03 -0.78795E-04 4800 0.569E-02 0.904E-02 RMM: 5 -0.321625439270E+03 0.49853E-04 -0.97631E-05 3782 0.260E-02 0.823E-02 RMM: 6 -0.321625413567E+03 0.25704E-04 -0.38288E-05 2956 0.178E-02 0.694E-02 RMM: 7 -0.321625459796E+03 -0.46229E-04 -0.89581E-05 3803 0.233E-02 0.119E-01 RMM: 8 -0.321625364098E+03 0.95698E-04 -0.62094E-05 3406 0.218E-02 0.315E-02 RMM: 9 -0.321625362578E+03 0.15200E-05 -0.15411E-05 2509 0.109E-02 8077 T= 6408. E= 0.68112524E+03 F= 0.62811018E+03 E0= 0.65695051E+03 EK= 0.53015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321948874864E+03 -0.32351E+00 -0.18679E-01 8640 0.242E+01 0.198E-01 RMM: 2 -0.321962979608E+03 -0.14105E-01 -0.10418E-01 5151 0.731E-01 0.869E-01 RMM: 3 -0.321957487730E+03 0.54919E-02 -0.10043E-02 5806 0.198E-01 0.183E-01 RMM: 4 -0.321957225730E+03 0.26200E-03 -0.72140E-04 4645 0.613E-02 0.126E-01 RMM: 5 -0.321957143282E+03 0.82448E-04 -0.13048E-04 3842 0.298E-02 0.912E-02 RMM: 6 -0.321957092185E+03 0.51097E-04 -0.37917E-05 3019 0.190E-02 0.419E-02 RMM: 7 -0.321957102634E+03 -0.10449E-04 -0.25935E-05 2588 0.152E-02 8078 T= 6869. E= 0.68455095E+03 F= 0.62772257E+03 E0= 0.65652340E+03 EK= 0.56828E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322397460867E+03 -0.44037E+00 -0.19054E-01 8604 0.247E+01 0.207E-01 RMM: 2 -0.322412238160E+03 -0.14777E-01 -0.10158E-01 5239 0.731E-01 0.940E-01 RMM: 3 -0.322405862705E+03 0.63755E-02 -0.95805E-03 5710 0.200E-01 0.204E-01 RMM: 4 -0.322405522382E+03 0.34032E-03 -0.68122E-04 4748 0.561E-02 0.946E-02 RMM: 5 -0.322405469226E+03 0.53156E-04 -0.98733E-05 3779 0.263E-02 0.806E-02 RMM: 6 -0.322405449653E+03 0.19573E-04 -0.36999E-05 2948 0.178E-02 8079 T= 7189. E= 0.68669532E+03 F= 0.62722325E+03 E0= 0.65597819E+03 EK= 0.59472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323037238358E+03 -0.63177E+00 -0.19187E-01 8184 0.248E+01 0.308E-01 RMM: 2 -0.323065973295E+03 -0.28735E-01 -0.11014E-01 5170 0.761E-01 0.169E+00 RMM: 3 -0.323045940411E+03 0.20033E-01 -0.13758E-02 5359 0.276E-01 0.306E-01 RMM: 4 -0.323045336707E+03 0.60370E-03 -0.15162E-03 4825 0.769E-02 0.110E-01 RMM: 5 -0.323045290974E+03 0.45733E-04 -0.17997E-04 3903 0.351E-02 0.103E-01 RMM: 6 -0.323045230102E+03 0.60873E-04 -0.50829E-05 3190 0.208E-02 0.606E-02 RMM: 7 -0.323045258071E+03 -0.27970E-04 -0.58909E-05 3409 0.216E-02 0.920E-02 RMM: 8 -0.323045204673E+03 0.53398E-04 -0.51167E-05 3112 0.190E-02 0.458E-02 RMM: 9 -0.323045193391E+03 0.11282E-04 -0.19399E-05 2522 0.133E-02 8080 T= 7231. E= 0.68635976E+03 F= 0.62653642E+03 E0= 0.65524235E+03 EK= 0.59823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323911058341E+03 -0.86585E+00 -0.18762E-01 8304 0.246E+01 0.368E-01 RMM: 2 -0.323944505703E+03 -0.33447E-01 -0.11918E-01 5124 0.819E-01 0.190E+00 RMM: 3 -0.323920077614E+03 0.24428E-01 -0.16533E-02 5373 0.308E-01 0.383E-01 RMM: 4 -0.323919051034E+03 0.10266E-02 -0.20422E-03 4941 0.957E-02 0.120E-01 RMM: 5 -0.323919112206E+03 -0.61172E-04 -0.29602E-04 3899 0.416E-02 0.165E-01 RMM: 6 -0.323918938154E+03 0.17405E-03 -0.99718E-05 3725 0.291E-02 0.469E-02 RMM: 7 -0.323918937511E+03 0.64289E-06 -0.28218E-05 2722 0.156E-02 8081 T= 6985. E= 0.68339956E+03 F= 0.62561847E+03 E0= 0.65427515E+03 EK= 0.57781E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325015114684E+03 -0.10962E+01 -0.18459E-01 8628 0.240E+01 0.257E-01 RMM: 2 -0.325038971621E+03 -0.23857E-01 -0.11553E-01 5170 0.766E-01 0.142E+00 RMM: 3 -0.325024395940E+03 0.14576E-01 -0.11834E-02 5439 0.240E-01 0.242E-01 RMM: 4 -0.325023987767E+03 0.40817E-03 -0.11544E-03 4780 0.706E-02 0.990E-02 RMM: 5 -0.325023956795E+03 0.30972E-04 -0.14966E-04 3870 0.312E-02 0.981E-02 RMM: 6 -0.325023900415E+03 0.56381E-04 -0.42383E-05 3059 0.190E-02 0.541E-02 RMM: 7 -0.325023934630E+03 -0.34215E-04 -0.53013E-05 3294 0.200E-02 0.960E-02 RMM: 8 -0.325023877937E+03 0.56693E-04 -0.66418E-05 3636 0.219E-02 0.402E-02 RMM: 9 -0.325023869129E+03 0.88089E-05 -0.13333E-05 2498 0.110E-02 8082 T= 6568. E= 0.67880943E+03 F= 0.62447150E+03 E0= 0.65308120E+03 EK= 0.54338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326313969336E+03 -0.12901E+01 -0.18305E-01 8556 0.233E+01 0.223E-01 RMM: 2 -0.326332774933E+03 -0.18806E-01 -0.13090E-01 5007 0.817E-01 0.104E+00 RMM: 3 -0.326324834093E+03 0.79408E-02 -0.13706E-02 5712 0.236E-01 0.192E-01 RMM: 4 -0.326324515293E+03 0.31880E-03 -0.97772E-04 4734 0.700E-02 0.121E-01 RMM: 5 -0.326324424118E+03 0.91175E-04 -0.14525E-04 3885 0.287E-02 0.865E-02 RMM: 6 -0.326324380815E+03 0.43304E-04 -0.35032E-05 2947 0.180E-02 0.416E-02 RMM: 7 -0.326324388780E+03 -0.79653E-05 -0.26742E-05 2601 0.155E-02 8083 T= 6151. E= 0.67401470E+03 F= 0.62313089E+03 E0= 0.65169420E+03 EK= 0.50884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327761538232E+03 -0.14372E+01 -0.17856E-01 8928 0.227E+01 0.208E-01 RMM: 2 -0.327778687956E+03 -0.17150E-01 -0.12764E-01 5180 0.777E-01 0.918E-01 RMM: 3 -0.327772295363E+03 0.63926E-02 -0.12898E-02 5788 0.217E-01 0.214E-01 RMM: 4 -0.327771855910E+03 0.43945E-03 -0.79136E-04 4851 0.596E-02 0.878E-02 RMM: 5 -0.327771803326E+03 0.52584E-04 -0.10141E-04 3894 0.248E-02 0.706E-02 RMM: 6 -0.327771790530E+03 0.12796E-04 -0.30320E-05 2797 0.162E-02 8084 T= 5862. E= 0.67014355E+03 F= 0.62164560E+03 E0= 0.65016315E+03 EK= 0.48498E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329300146646E+03 -0.15283E+01 -0.19026E-01 8676 0.225E+01 0.320E-01 RMM: 2 -0.329336521300E+03 -0.36375E-01 -0.14582E-01 5085 0.836E-01 0.187E+00 RMM: 3 -0.329311772270E+03 0.24749E-01 -0.18119E-02 5424 0.300E-01 0.259E-01 RMM: 4 -0.329311279786E+03 0.49248E-03 -0.18638E-03 5200 0.789E-02 0.107E-01 RMM: 5 -0.329311205308E+03 0.74478E-04 -0.15082E-04 3985 0.300E-02 0.935E-02 RMM: 6 -0.329311160820E+03 0.44489E-04 -0.34996E-05 2856 0.176E-02 0.641E-02 RMM: 7 -0.329311199718E+03 -0.38898E-04 -0.82750E-05 3683 0.241E-02 0.105E-01 RMM: 8 -0.329311132202E+03 0.67516E-04 -0.77699E-05 3662 0.217E-02 0.488E-02 RMM: 9 -0.329311118765E+03 0.13437E-04 -0.16869E-05 2538 0.120E-02 8085 T= 5768. E= 0.66778514E+03 F= 0.62007114E+03 E0= 0.64854215E+03 EK= 0.47714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330865315122E+03 -0.15542E+01 -0.19319E-01 9036 0.225E+01 0.343E-01 RMM: 2 -0.330898779479E+03 -0.33464E-01 -0.14062E-01 5083 0.828E-01 0.179E+00 RMM: 3 -0.330876135048E+03 0.22644E-01 -0.17430E-02 5400 0.302E-01 0.342E-01 RMM: 4 -0.330875297721E+03 0.83733E-03 -0.19822E-03 4879 0.929E-02 0.108E-01 RMM: 5 -0.330875306164E+03 -0.84424E-05 -0.25653E-04 3915 0.377E-02 0.134E-01 RMM: 6 -0.330875185241E+03 0.12092E-03 -0.69331E-05 3489 0.238E-02 0.409E-02 RMM: 7 -0.330875191382E+03 -0.61409E-05 -0.26440E-05 2626 0.153E-02 8086 T= 5874. E= 0.66706764E+03 F= 0.61847533E+03 E0= 0.64689601E+03 EK= 0.48592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332366455922E+03 -0.14913E+01 -0.20377E-01 9132 0.229E+01 0.209E-01 RMM: 2 -0.332387281585E+03 -0.20826E-01 -0.13064E-01 5296 0.747E-01 0.115E+00 RMM: 3 -0.332377147776E+03 0.10134E-01 -0.11010E-02 5508 0.220E-01 0.196E-01 RMM: 4 -0.332376846369E+03 0.30141E-03 -0.94981E-04 4950 0.607E-02 0.963E-02 RMM: 5 -0.332376792304E+03 0.54065E-04 -0.10597E-04 3780 0.264E-02 0.816E-02 RMM: 6 -0.332376761110E+03 0.31194E-04 -0.30654E-05 2714 0.165E-02 0.618E-02 RMM: 7 -0.332376779580E+03 -0.18470E-04 -0.84636E-05 3698 0.229E-02 8087 T= 6140. E= 0.66774332E+03 F= 0.61694582E+03 E0= 0.64531240E+03 EK= 0.50797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333695266095E+03 -0.13185E+01 -0.22706E-01 9108 0.235E+01 0.220E-01 RMM: 2 -0.333715392933E+03 -0.20127E-01 -0.15245E-01 5055 0.844E-01 0.980E-01 RMM: 3 -0.333707978626E+03 0.74143E-02 -0.14287E-02 5817 0.236E-01 0.182E-01 RMM: 4 -0.333707642056E+03 0.33657E-03 -0.91856E-04 4806 0.647E-02 0.120E-01 RMM: 5 -0.333707557194E+03 0.84862E-04 -0.14422E-04 3876 0.312E-02 0.848E-02 RMM: 6 -0.333707516895E+03 0.40298E-04 -0.42831E-05 3090 0.192E-02 0.471E-02 RMM: 7 -0.333707518791E+03 -0.18961E-05 -0.34787E-05 2666 0.175E-02 8088 T= 6480. E= 0.66919596E+03 F= 0.61559113E+03 E0= 0.64390099E+03 EK= 0.53605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334738086201E+03 -0.10306E+01 -0.24264E-01 9036 0.241E+01 0.191E-01 RMM: 2 -0.334757225261E+03 -0.19139E-01 -0.15960E-01 5149 0.867E-01 0.816E-01 RMM: 3 -0.334751728878E+03 0.54964E-02 -0.13469E-02 5919 0.227E-01 0.175E-01 RMM: 4 -0.334751376239E+03 0.35264E-03 -0.76827E-04 4766 0.615E-02 0.114E-01 RMM: 5 -0.334751285282E+03 0.90957E-04 -0.12984E-04 3864 0.312E-02 0.707E-02 RMM: 6 -0.334751265850E+03 0.19431E-04 -0.39459E-05 2995 0.181E-02 8089 T= 6767. E= 0.67050640E+03 F= 0.61452728E+03 E0= 0.64277695E+03 EK= 0.55979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335403309399E+03 -0.65202E+00 -0.23975E-01 8916 0.244E+01 0.248E-01 RMM: 2 -0.335429402116E+03 -0.26093E-01 -0.15334E-01 5244 0.837E-01 0.133E+00 RMM: 3 -0.335416034658E+03 0.13367E-01 -0.13291E-02 5468 0.253E-01 0.248E-01 RMM: 4 -0.335415584090E+03 0.45057E-03 -0.12381E-03 4863 0.719E-02 0.936E-02 RMM: 5 -0.335415540088E+03 0.44003E-04 -0.15502E-04 3924 0.320E-02 0.855E-02 RMM: 6 -0.335415502909E+03 0.37179E-04 -0.40667E-05 2986 0.188E-02 0.583E-02 RMM: 7 -0.335415530753E+03 -0.27844E-04 -0.57021E-05 3350 0.210E-02 0.928E-02 RMM: 8 -0.335415471125E+03 0.59628E-04 -0.52155E-05 3158 0.194E-02 0.335E-02 RMM: 9 -0.335415468931E+03 0.21939E-05 -0.18401E-05 2508 0.125E-02 8090 T= 6881. E= 0.67077104E+03 F= 0.61384654E+03 E0= 0.64203646E+03 EK= 0.56924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335651217432E+03 -0.23575E+00 -0.23193E-01 8856 0.243E+01 0.299E-01 RMM: 2 -0.335683095640E+03 -0.31878E-01 -0.14196E-01 5178 0.817E-01 0.167E+00 RMM: 3 -0.335662411301E+03 0.20684E-01 -0.13327E-02 5413 0.264E-01 0.219E-01 RMM: 4 -0.335662186017E+03 0.22528E-03 -0.15429E-03 4745 0.854E-02 0.165E-01 RMM: 5 -0.335662092737E+03 0.93280E-04 -0.23171E-04 3891 0.381E-02 0.128E-01 RMM: 6 -0.335661977749E+03 0.11499E-03 -0.72869E-05 3484 0.249E-02 0.329E-02 RMM: 7 -0.335661990727E+03 -0.12978E-04 -0.31916E-05 2703 0.172E-02 8091 T= 6772. E= 0.66960812E+03 F= 0.61358687E+03 E0= 0.64171807E+03 EK= 0.56021E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335516444471E+03 0.14553E+00 -0.22014E-01 8820 0.239E+01 0.166E-01 RMM: 2 -0.335532462360E+03 -0.16018E-01 -0.13205E-01 5617 0.783E-01 0.727E-01 RMM: 3 -0.335527802869E+03 0.46595E-02 -0.98483E-03 5538 0.215E-01 0.150E-01 RMM: 4 -0.335527671196E+03 0.13167E-03 -0.63927E-04 4818 0.549E-02 0.108E-01 RMM: 5 -0.335527587481E+03 0.83715E-04 -0.90739E-05 3618 0.268E-02 0.674E-02 RMM: 6 -0.335527575469E+03 0.12012E-04 -0.33240E-05 2741 0.173E-02 8092 T= 6491. E= 0.66741136E+03 F= 0.61371142E+03 E0= 0.64178702E+03 EK= 0.53700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335099148307E+03 0.42844E+00 -0.19936E-01 8568 0.233E+01 0.307E-01 RMM: 2 -0.335128959215E+03 -0.29811E-01 -0.12833E-01 4989 0.812E-01 0.164E+00 RMM: 3 -0.335109283005E+03 0.19676E-01 -0.15441E-02 5368 0.295E-01 0.239E-01 RMM: 4 -0.335108905737E+03 0.37727E-03 -0.14851E-03 4954 0.750E-02 0.105E-01 RMM: 5 -0.335108856650E+03 0.49088E-04 -0.15128E-04 3926 0.337E-02 0.947E-02 RMM: 6 -0.335108801923E+03 0.54727E-04 -0.45793E-05 3075 0.202E-02 0.451E-02 RMM: 7 -0.335108818549E+03 -0.16626E-04 -0.29829E-05 2682 0.167E-02 8093 T= 6160. E= 0.66508295E+03 F= 0.61412369E+03 E0= 0.64214877E+03 EK= 0.50959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334516254243E+03 0.59255E+00 -0.17639E-01 8688 0.227E+01 0.280E-01 RMM: 2 -0.334541985522E+03 -0.25731E-01 -0.11917E-01 4917 0.793E-01 0.149E+00 RMM: 3 -0.334526240399E+03 0.15745E-01 -0.14661E-02 5384 0.281E-01 0.296E-01 RMM: 4 -0.334525638812E+03 0.60159E-03 -0.14934E-03 4879 0.809E-02 0.106E-01 RMM: 5 -0.334525619803E+03 0.19009E-04 -0.20047E-04 3940 0.378E-02 0.105E-01 RMM: 6 -0.334525541861E+03 0.77942E-04 -0.54439E-05 3238 0.215E-02 0.387E-02 RMM: 7 -0.334525552735E+03 -0.10874E-04 -0.26006E-05 2588 0.155E-02 8094 T= 5902. E= 0.66352606E+03 F= 0.61470405E+03 E0= 0.64268472E+03 EK= 0.48822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333874197711E+03 0.65134E+00 -0.16088E-01 8472 0.224E+01 0.220E-01 RMM: 2 -0.333891198493E+03 -0.17001E-01 -0.11223E-01 4828 0.779E-01 0.102E+00 RMM: 3 -0.333883640948E+03 0.75575E-02 -0.13023E-02 5519 0.247E-01 0.160E-01 RMM: 4 -0.333883446035E+03 0.19491E-03 -0.92741E-04 4991 0.613E-02 0.101E-01 RMM: 5 -0.333883387089E+03 0.58946E-04 -0.10725E-04 3783 0.289E-02 0.810E-02 RMM: 6 -0.333883348485E+03 0.38604E-04 -0.37495E-05 2920 0.183E-02 0.448E-02 RMM: 7 -0.333883370249E+03 -0.21764E-04 -0.51239E-05 3184 0.200E-02 0.813E-02 RMM: 8 -0.333883327631E+03 0.42618E-04 -0.38434E-05 2691 0.172E-02 0.239E-02 RMM: 9 -0.333883327869E+03 -0.23748E-06 -0.13650E-05 2461 0.108E-02 8095 T= 5800. E= 0.66333004E+03 F= 0.61534717E+03 E0= 0.64328832E+03 EK= 0.47983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333247320638E+03 0.63601E+00 -0.15282E-01 8016 0.224E+01 0.149E-01 RMM: 2 -0.333259066781E+03 -0.11746E-01 -0.10509E-01 4828 0.747E-01 0.559E-01 RMM: 3 -0.333256454755E+03 0.26120E-02 -0.11173E-02 5941 0.202E-01 0.115E-01 RMM: 4 -0.333256291714E+03 0.16304E-03 -0.53358E-04 4609 0.561E-02 0.128E-01 RMM: 5 -0.333256175176E+03 0.11654E-03 -0.99021E-05 3660 0.298E-02 0.539E-02 RMM: 6 -0.333256161220E+03 0.13956E-04 -0.26148E-05 2567 0.152E-02 8096 T= 5891. E= 0.66470962E+03 F= 0.61597909E+03 E0= 0.64388744E+03 EK= 0.48731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332673341571E+03 0.58283E+00 -0.14539E-01 8208 0.227E+01 0.215E-01 RMM: 2 -0.332688924254E+03 -0.15583E-01 -0.82738E-02 5046 0.665E-01 0.111E+00 RMM: 3 -0.332680113236E+03 0.88110E-02 -0.95216E-03 5449 0.213E-01 0.188E-01 RMM: 4 -0.332679870904E+03 0.24233E-03 -0.80341E-04 4728 0.585E-02 0.910E-02 RMM: 5 -0.332679827091E+03 0.43813E-04 -0.11317E-04 3864 0.282E-02 0.820E-02 RMM: 6 -0.332679791450E+03 0.35641E-04 -0.39737E-05 3011 0.181E-02 0.547E-02 RMM: 7 -0.332679829824E+03 -0.38374E-04 -0.72847E-05 3642 0.228E-02 0.981E-02 RMM: 8 -0.332679764732E+03 0.65092E-04 -0.43575E-05 3062 0.190E-02 0.261E-02 RMM: 9 -0.332679764822E+03 -0.90527E-07 -0.13614E-05 2480 0.108E-02 8097 T= 6158. E= 0.66750957E+03 F= 0.61656400E+03 E0= 0.64444627E+03 EK= 0.50946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332148338092E+03 0.53143E+00 -0.14713E-01 8136 0.233E+01 0.222E-01 RMM: 2 -0.332163060577E+03 -0.14722E-01 -0.78374E-02 4992 0.667E-01 0.111E+00 RMM: 3 -0.332154456067E+03 0.86045E-02 -0.90214E-03 5496 0.208E-01 0.177E-01 RMM: 4 -0.332154328107E+03 0.12796E-03 -0.90025E-04 4646 0.671E-02 0.148E-01 RMM: 5 -0.332154212528E+03 0.11558E-03 -0.15728E-04 3866 0.328E-02 0.909E-02 RMM: 6 -0.332154156257E+03 0.56272E-04 -0.38540E-05 2990 0.192E-02 0.276E-02 RMM: 7 -0.332154159089E+03 -0.28326E-05 -0.18436E-05 2509 0.130E-02 8098 T= 6534. E= 0.67115168E+03 F= 0.61710165E+03 E0= 0.64496471E+03 EK= 0.54050E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331646961722E+03 0.50719E+00 -0.15427E-01 8244 0.240E+01 0.178E-01 RMM: 2 -0.331657987533E+03 -0.11026E-01 -0.86453E-02 5139 0.685E-01 0.723E-01 RMM: 3 -0.331654187746E+03 0.37998E-02 -0.87846E-03 5753 0.183E-01 0.150E-01 RMM: 4 -0.331653988982E+03 0.19876E-03 -0.54545E-04 4591 0.520E-02 0.108E-01 RMM: 5 -0.331653902607E+03 0.86375E-04 -0.10206E-04 3748 0.274E-02 0.647E-02 RMM: 6 -0.331653890347E+03 0.12260E-04 -0.31022E-05 2687 0.163E-02 8099 T= 6890. E= 0.67461763E+03 F= 0.61761727E+03 E0= 0.64546918E+03 EK= 0.57000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331138158960E+03 0.51574E+00 -0.15788E-01 8064 0.244E+01 0.259E-01 RMM: 2 -0.331155762216E+03 -0.17603E-01 -0.84679E-02 5111 0.695E-01 0.126E+00 RMM: 3 -0.331144642077E+03 0.11120E-01 -0.10567E-02 5397 0.236E-01 0.181E-01 RMM: 4 -0.331144491040E+03 0.15104E-03 -0.10300E-03 4794 0.633E-02 0.128E-01 RMM: 5 -0.331144385873E+03 0.10517E-03 -0.13175E-04 3848 0.304E-02 0.762E-02 RMM: 6 -0.331144354439E+03 0.31433E-04 -0.33106E-05 2875 0.171E-02 0.437E-02 RMM: 7 -0.331144364463E+03 -0.10023E-04 -0.32837E-05 2659 0.173E-02 8100 T= 7081. E= 0.67672155E+03 F= 0.61814539E+03 E0= 0.64599373E+03 EK= 0.58576E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330599128330E+03 0.54523E+00 -0.16363E-01 7968 0.246E+01 0.247E-01 RMM: 2 -0.330615756262E+03 -0.16628E-01 -0.90683E-02 5050 0.726E-01 0.116E+00 RMM: 3 -0.330606516053E+03 0.92402E-02 -0.10833E-02 5461 0.231E-01 0.248E-01 RMM: 4 -0.330606087557E+03 0.42850E-03 -0.10850E-03 4640 0.703E-02 0.107E-01 RMM: 5 -0.330606036072E+03 0.51486E-04 -0.16600E-04 3880 0.340E-02 0.854E-02 RMM: 6 -0.330605987587E+03 0.48485E-04 -0.39918E-05 3012 0.188E-02 0.373E-02 RMM: 7 -0.330605994892E+03 -0.73051E-05 -0.25965E-05 2566 0.150E-02 8101 T= 7015. E= 0.67673532E+03 F= 0.61870582E+03 E0= 0.64655703E+03 EK= 0.58030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330041097439E+03 0.56489E+00 -0.16111E-01 8040 0.243E+01 0.195E-01 RMM: 2 -0.330054188944E+03 -0.13092E-01 -0.89107E-02 5008 0.705E-01 0.900E-01 RMM: 3 -0.330048461923E+03 0.57270E-02 -0.97383E-03 5671 0.202E-01 0.145E-01 RMM: 4 -0.330048293111E+03 0.16881E-03 -0.63974E-04 4778 0.535E-02 0.102E-01 RMM: 5 -0.330048232931E+03 0.60180E-04 -0.97452E-05 3721 0.264E-02 0.711E-02 RMM: 6 -0.330048207215E+03 0.25716E-04 -0.34917E-05 2941 0.174E-02 0.447E-02 RMM: 7 -0.330048230372E+03 -0.23157E-04 -0.40909E-05 2828 0.180E-02 0.800E-02 RMM: 8 -0.330048189307E+03 0.41065E-04 -0.30566E-05 2604 0.165E-02 0.196E-02 RMM: 9 -0.330048189483E+03 -0.17604E-06 -0.94898E-06 2452 0.899E-03 8102 T= 6721. E= 0.67489176E+03 F= 0.61928954E+03 E0= 0.64714839E+03 EK= 0.55602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329500508825E+03 0.54768E+00 -0.15526E-01 7824 0.238E+01 0.169E-01 RMM: 2 -0.329512538337E+03 -0.12030E-01 -0.10489E-01 4812 0.771E-01 0.645E-01 RMM: 3 -0.329509625730E+03 0.29126E-02 -0.11989E-02 6000 0.202E-01 0.134E-01 RMM: 4 -0.329509391993E+03 0.23374E-03 -0.58491E-04 4647 0.590E-02 0.126E-01 RMM: 5 -0.329509285509E+03 0.10648E-03 -0.10994E-04 3736 0.295E-02 0.636E-02 RMM: 6 -0.329509264409E+03 0.21100E-04 -0.31014E-05 2782 0.169E-02 0.385E-02 RMM: 7 -0.329509274215E+03 -0.98056E-05 -0.29155E-05 2567 0.164E-02 8103 T= 6329. E= 0.67221836E+03 F= 0.61985868E+03 E0= 0.64772745E+03 EK= 0.52360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329037096454E+03 0.47217E+00 -0.14485E-01 8016 0.232E+01 0.175E-01 RMM: 2 -0.329049322340E+03 -0.12226E-01 -0.10048E-01 4876 0.757E-01 0.702E-01 RMM: 3 -0.329045844875E+03 0.34775E-02 -0.11598E-02 5969 0.200E-01 0.150E-01 RMM: 4 -0.329045559860E+03 0.28502E-03 -0.57112E-04 4694 0.554E-02 0.101E-01 RMM: 5 -0.329045490227E+03 0.69633E-04 -0.10071E-04 3764 0.288E-02 0.622E-02 RMM: 6 -0.329045484219E+03 0.60080E-05 -0.38928E-05 2967 0.180E-02 8104 T= 5988. E= 0.66989354E+03 F= 0.62035731E+03 E0= 0.64823601E+03 EK= 0.49536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328708651112E+03 0.33684E+00 -0.14220E-01 7668 0.228E+01 0.270E-01 RMM: 2 -0.328732494011E+03 -0.23843E-01 -0.10730E-01 4850 0.774E-01 0.147E+00 RMM: 3 -0.328717401142E+03 0.15093E-01 -0.13826E-02 5435 0.261E-01 0.234E-01 RMM: 4 -0.328717017957E+03 0.38319E-03 -0.12833E-03 4908 0.695E-02 0.929E-02 RMM: 5 -0.328716983036E+03 0.34921E-04 -0.15560E-04 3866 0.337E-02 0.898E-02 RMM: 6 -0.328716936213E+03 0.46822E-04 -0.44000E-05 3051 0.190E-02 0.502E-02 RMM: 7 -0.328716968684E+03 -0.32470E-04 -0.65699E-05 3515 0.222E-02 0.873E-02 RMM: 8 -0.328716919636E+03 0.49047E-04 -0.38532E-05 2975 0.188E-02 0.275E-02 RMM: 9 -0.328716920013E+03 -0.37615E-06 -0.13230E-05 2478 0.105E-02 8105 T= 5805. E= 0.66875038E+03 F= 0.62072526E+03 E0= 0.64861206E+03 EK= 0.48025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328564422660E+03 0.15250E+00 -0.13879E-01 8052 0.228E+01 0.319E-01 RMM: 2 -0.328587814168E+03 -0.23392E-01 -0.86686E-02 5028 0.709E-01 0.155E+00 RMM: 3 -0.328571108330E+03 0.16706E-01 -0.12678E-02 5371 0.267E-01 0.354E-01 RMM: 4 -0.328570208976E+03 0.89935E-03 -0.16373E-03 4719 0.868E-02 0.925E-02 RMM: 5 -0.328570248614E+03 -0.39638E-04 -0.22469E-04 3894 0.359E-02 0.132E-01 RMM: 6 -0.328570126059E+03 0.12255E-03 -0.61747E-05 3386 0.229E-02 0.320E-02 RMM: 7 -0.328570130557E+03 -0.44974E-05 -0.24716E-05 2557 0.152E-02 8106 T= 5832. E= 0.66916421E+03 F= 0.62091552E+03 E0= 0.64880788E+03 EK= 0.48249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328621074610E+03 -0.50949E-01 -0.14301E-01 8244 0.231E+01 0.228E-01 RMM: 2 -0.328636113061E+03 -0.15038E-01 -0.76635E-02 5145 0.650E-01 0.112E+00 RMM: 3 -0.328627221903E+03 0.88912E-02 -0.86995E-03 5478 0.203E-01 0.234E-01 RMM: 4 -0.328626840802E+03 0.38110E-03 -0.89165E-04 4626 0.638E-02 0.916E-02 RMM: 5 -0.328626833760E+03 0.70427E-05 -0.14631E-04 3867 0.299E-02 8107 T= 6066. E= 0.67109035E+03 F= 0.62090560E+03 E0= 0.64879959E+03 EK= 0.50185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328860305342E+03 -0.23346E+00 -0.15378E-01 8064 0.237E+01 0.217E-01 RMM: 2 -0.328871919699E+03 -0.11614E-01 -0.81943E-02 5043 0.676E-01 0.815E-01 RMM: 3 -0.328867170346E+03 0.47494E-02 -0.92314E-03 5588 0.197E-01 0.218E-01 RMM: 4 -0.328866840341E+03 0.33001E-03 -0.75535E-04 4594 0.599E-02 0.118E-01 RMM: 5 -0.328866781902E+03 0.58438E-04 -0.14869E-04 3876 0.299E-02 0.113E-01 RMM: 6 -0.328866707813E+03 0.74089E-04 -0.76330E-05 3543 0.246E-02 0.588E-02 RMM: 7 -0.328866789520E+03 -0.81707E-04 -0.10340E-04 3880 0.253E-02 0.128E-01 RMM: 8 -0.328866678186E+03 0.11133E-03 -0.61872E-05 3473 0.220E-02 0.245E-02 RMM: 9 -0.328866678452E+03 -0.26608E-06 -0.12364E-05 2492 0.109E-02 8108 T= 6446. E= 0.67404199E+03 F= 0.62071512E+03 E0= 0.64860923E+03 EK= 0.53327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329211066426E+03 -0.34439E+00 -0.16598E-01 8076 0.244E+01 0.230E-01 RMM: 2 -0.329224030381E+03 -0.12964E-01 -0.88912E-02 5029 0.710E-01 0.921E-01 RMM: 3 -0.329218043397E+03 0.59870E-02 -0.96364E-03 5631 0.198E-01 0.158E-01 RMM: 4 -0.329218111777E+03 -0.68380E-04 -0.93306E-04 4654 0.717E-02 0.226E-01 RMM: 5 -0.329217801879E+03 0.30990E-03 -0.23185E-04 3879 0.399E-02 0.920E-02 RMM: 6 -0.329217746161E+03 0.55718E-04 -0.45474E-05 3141 0.204E-02 0.297E-02 RMM: 7 -0.329217751222E+03 -0.50611E-05 -0.20695E-05 2520 0.139E-02 8109 T= 6845. E= 0.67704035E+03 F= 0.62041558E+03 E0= 0.64830731E+03 EK= 0.56625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329557169919E+03 -0.33942E+00 -0.17059E-01 8364 0.249E+01 0.191E-01 RMM: 2 -0.329566958912E+03 -0.97890E-02 -0.81173E-02 5268 0.672E-01 0.675E-01 RMM: 3 -0.329563823621E+03 0.31353E-02 -0.77450E-03 5817 0.169E-01 0.155E-01 RMM: 4 -0.329563687871E+03 0.13575E-03 -0.58664E-04 4613 0.570E-02 0.157E-01 RMM: 5 -0.329563515976E+03 0.17190E-03 -0.14307E-04 3854 0.311E-02 0.686E-02 RMM: 6 -0.329563494371E+03 0.21605E-04 -0.30457E-05 2855 0.166E-02 0.512E-02 RMM: 7 -0.329563489371E+03 0.50001E-05 -0.61847E-05 3519 0.202E-02 8110 T= 7095. E= 0.67881476E+03 F= 0.62012369E+03 E0= 0.64801259E+03 EK= 0.58691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329770460219E+03 -0.20697E+00 -0.17608E-01 8208 0.251E+01 0.207E-01 RMM: 2 -0.329781117168E+03 -0.10657E-01 -0.83020E-02 5177 0.686E-01 0.756E-01 RMM: 3 -0.329777137508E+03 0.39797E-02 -0.84185E-03 5848 0.176E-01 0.161E-01 RMM: 4 -0.329777030228E+03 0.10728E-03 -0.71589E-04 4614 0.652E-02 0.180E-01 RMM: 5 -0.329776820945E+03 0.20928E-03 -0.16465E-04 3849 0.338E-02 0.716E-02 RMM: 6 -0.329776793054E+03 0.27890E-04 -0.29415E-05 2819 0.169E-02 0.385E-02 RMM: 7 -0.329776801349E+03 -0.82955E-05 -0.26714E-05 2558 0.145E-02 8111 T= 7069. E= 0.67844749E+03 F= 0.61996724E+03 E0= 0.64785505E+03 EK= 0.58480E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329761688101E+03 0.15105E-01 -0.16840E-01 8256 0.247E+01 0.215E-01 RMM: 2 -0.329773428424E+03 -0.11740E-01 -0.79933E-02 5218 0.668E-01 0.856E-01 RMM: 3 -0.329768027691E+03 0.54007E-02 -0.80225E-03 5654 0.186E-01 0.197E-01 RMM: 4 -0.329767794554E+03 0.23314E-03 -0.72991E-04 4601 0.608E-02 0.130E-01 RMM: 5 -0.329767699977E+03 0.94577E-04 -0.12951E-04 3815 0.282E-02 0.881E-02 RMM: 6 -0.329767653227E+03 0.46750E-04 -0.40165E-05 3069 0.193E-02 0.379E-02 RMM: 7 -0.329767671514E+03 -0.18287E-04 -0.30475E-05 2628 0.154E-02 8112 T= 6770. E= 0.67604705E+03 F= 0.62003731E+03 E0= 0.64792760E+03 EK= 0.56010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329509433224E+03 0.25822E+00 -0.15988E-01 8100 0.240E+01 0.223E-01 RMM: 2 -0.329522301592E+03 -0.12868E-01 -0.85306E-02 5113 0.694E-01 0.913E-01 RMM: 3 -0.329516255293E+03 0.60463E-02 -0.93680E-03 5702 0.200E-01 0.207E-01 RMM: 4 -0.329515936746E+03 0.31855E-03 -0.76368E-04 4641 0.615E-02 0.112E-01 RMM: 5 -0.329515872716E+03 0.64030E-04 -0.12303E-04 3840 0.280E-02 0.824E-02 RMM: 6 -0.329515834258E+03 0.38458E-04 -0.37058E-05 3005 0.184E-02 0.400E-02 RMM: 7 -0.329515860180E+03 -0.25922E-04 -0.33356E-05 2797 0.166E-02 0.794E-02 RMM: 8 -0.329515821760E+03 0.38420E-04 -0.33043E-05 2743 0.177E-02 0.240E-02 RMM: 9 -0.329515820331E+03 0.14294E-05 -0.89784E-06 2448 0.884E-03 8113 T= 6328. E= 0.67270484E+03 F= 0.62035516E+03 E0= 0.64825206E+03 EK= 0.52350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329057624412E+03 0.45820E+00 -0.14947E-01 8052 0.231E+01 0.212E-01 RMM: 2 -0.329068858257E+03 -0.11234E-01 -0.75832E-02 5196 0.652E-01 0.863E-01 RMM: 3 -0.329063527432E+03 0.53308E-02 -0.79524E-03 5709 0.185E-01 0.177E-01 RMM: 4 -0.329063306383E+03 0.22105E-03 -0.63775E-04 4612 0.559E-02 0.118E-01 RMM: 5 -0.329063226980E+03 0.79403E-04 -0.11698E-04 3857 0.282E-02 0.865E-02 RMM: 6 -0.329063182892E+03 0.44088E-04 -0.44508E-05 3132 0.200E-02 0.419E-02 RMM: 7 -0.329063206710E+03 -0.23818E-04 -0.39956E-05 2815 0.177E-02 0.815E-02 RMM: 8 -0.329063163353E+03 0.43357E-04 -0.29808E-05 2586 0.170E-02 0.187E-02 RMM: 9 -0.329063163943E+03 -0.59006E-06 -0.93862E-06 2447 0.844E-03 8114 T= 5911. E= 0.66977986E+03 F= 0.62087940E+03 E0= 0.64878725E+03 EK= 0.48900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328473060105E+03 0.59010E+00 -0.14373E-01 8220 0.225E+01 0.183E-01 RMM: 2 -0.328482673550E+03 -0.96134E-02 -0.69539E-02 5240 0.616E-01 0.756E-01 RMM: 3 -0.328478525325E+03 0.41482E-02 -0.67936E-03 5792 0.164E-01 0.154E-01 RMM: 4 -0.328478337229E+03 0.18810E-03 -0.49301E-04 4502 0.507E-02 0.106E-01 RMM: 5 -0.328478261121E+03 0.76108E-04 -0.97278E-05 3798 0.266E-02 0.695E-02 RMM: 6 -0.328478246254E+03 0.14867E-04 -0.35773E-05 2961 0.179E-02 8115 T= 5649. E= 0.66827632E+03 F= 0.62154120E+03 E0= 0.64946359E+03 EK= 0.46735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327819683155E+03 0.65858E+00 -0.14043E-01 8004 0.221E+01 0.296E-01 RMM: 2 -0.327839587086E+03 -0.19904E-01 -0.70757E-02 5267 0.627E-01 0.148E+00 RMM: 3 -0.327824700645E+03 0.14886E-01 -0.10157E-02 5374 0.240E-01 0.259E-01 RMM: 4 -0.327824265684E+03 0.43496E-03 -0.10926E-03 4669 0.665E-02 0.108E-01 RMM: 5 -0.327824231343E+03 0.34341E-04 -0.17412E-04 3888 0.344E-02 0.114E-01 RMM: 6 -0.327824153800E+03 0.77543E-04 -0.82959E-05 3652 0.256E-02 0.628E-02 RMM: 7 -0.327824199062E+03 -0.45262E-04 -0.90844E-05 3825 0.257E-02 0.104E-01 RMM: 8 -0.327824132966E+03 0.66096E-04 -0.47375E-05 3202 0.204E-02 0.401E-02 RMM: 9 -0.327824124790E+03 0.81754E-05 -0.13838E-05 2496 0.112E-02 8116 T= 5611. E= 0.66869579E+03 F= 0.62227638E+03 E0= 0.65021530E+03 EK= 0.46419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327135669959E+03 0.68846E+00 -0.14407E-01 7980 0.223E+01 0.273E-01 RMM: 2 -0.327154999684E+03 -0.19330E-01 -0.74792E-02 5197 0.644E-01 0.140E+00 RMM: 3 -0.327141246457E+03 0.13753E-01 -0.94963E-03 5417 0.227E-01 0.291E-01 RMM: 4 -0.327140665056E+03 0.58140E-03 -0.12186E-03 4644 0.767E-02 0.105E-01 RMM: 5 -0.327140681681E+03 -0.16625E-04 -0.18898E-04 3880 0.353E-02 8117 T= 5812. E= 0.67112800E+03 F= 0.62304339E+03 E0= 0.65100123E+03 EK= 0.48085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326435346871E+03 0.70532E+00 -0.14949E-01 8016 0.228E+01 0.230E-01 RMM: 2 -0.326448069548E+03 -0.12723E-01 -0.79694E-02 5240 0.656E-01 0.977E-01 RMM: 3 -0.326441578646E+03 0.64909E-02 -0.82322E-03 5540 0.191E-01 0.212E-01 RMM: 4 -0.326441332173E+03 0.24647E-03 -0.78482E-04 4648 0.615E-02 0.136E-01 RMM: 5 -0.326441181116E+03 0.15106E-03 -0.16642E-04 3916 0.290E-02 0.905E-02 RMM: 6 -0.326441165103E+03 0.16013E-04 -0.10698E-04 3823 0.276E-02 8118 T= 6217. E= 0.67525689E+03 F= 0.62382733E+03 E0= 0.65180252E+03 EK= 0.51430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325718626654E+03 0.72255E+00 -0.16504E-01 7908 0.237E+01 0.366E-01 RMM: 2 -0.325754340040E+03 -0.35713E-01 -0.94674E-02 5131 0.744E-01 0.205E+00 RMM: 3 -0.325725218717E+03 0.29121E-01 -0.15447E-02 5374 0.302E-01 0.309E-01 RMM: 4 -0.325724633984E+03 0.58473E-03 -0.19894E-03 4879 0.946E-02 0.148E-01 RMM: 5 -0.325724575976E+03 0.58008E-04 -0.27139E-04 3935 0.373E-02 0.128E-01 RMM: 6 -0.325724470464E+03 0.10551E-03 -0.71054E-05 3456 0.247E-02 0.394E-02 RMM: 7 -0.325724467670E+03 0.27933E-05 -0.17682E-05 2523 0.125E-02 8119 T= 6719. E= 0.68021405E+03 F= 0.62462827E+03 E0= 0.65262062E+03 EK= 0.55586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324983998673E+03 0.74047E+00 -0.18087E-01 7956 0.245E+01 0.404E-01 RMM: 2 -0.325022357741E+03 -0.38359E-01 -0.12042E-01 5157 0.856E-01 0.208E+00 RMM: 3 -0.324992779346E+03 0.29578E-01 -0.18613E-02 5378 0.333E-01 0.429E-01 RMM: 4 -0.324991468612E+03 0.13107E-02 -0.24010E-03 5090 0.106E-01 0.109E-01 RMM: 5 -0.324991480764E+03 -0.12152E-04 -0.32619E-04 3910 0.415E-02 0.148E-01 RMM: 6 -0.324991332516E+03 0.14825E-03 -0.95125E-05 3692 0.275E-02 0.502E-02 RMM: 7 -0.324991333441E+03 -0.92477E-06 -0.31526E-05 2758 0.159E-02 8120 T= 7143. E= 0.68453511E+03 F= 0.62544547E+03 E0= 0.65345272E+03 EK= 0.59090E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324258105733E+03 0.73323E+00 -0.19001E-01 7932 0.250E+01 0.294E-01 RMM: 2 -0.324278783550E+03 -0.20678E-01 -0.10567E-01 5141 0.779E-01 0.133E+00 RMM: 3 -0.324266336303E+03 0.12447E-01 -0.12609E-02 5398 0.254E-01 0.251E-01 RMM: 4 -0.324266017078E+03 0.31922E-03 -0.13563E-03 4732 0.777E-02 0.158E-01 RMM: 5 -0.324265927843E+03 0.89235E-04 -0.22690E-04 3888 0.374E-02 0.128E-01 RMM: 6 -0.324265819470E+03 0.10837E-03 -0.80278E-05 3539 0.258E-02 0.422E-02 RMM: 7 -0.324265837164E+03 -0.17694E-04 -0.33876E-05 2838 0.175E-02 8121 T= 7301. E= 0.68665490E+03 F= 0.62625593E+03 E0= 0.65427491E+03 EK= 0.60399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323606460736E+03 0.65936E+00 -0.20119E-01 7992 0.250E+01 0.322E-01 RMM: 2 -0.323633803597E+03 -0.27343E-01 -0.12470E-01 5021 0.858E-01 0.160E+00 RMM: 3 -0.323616062979E+03 0.17741E-01 -0.15580E-02 5422 0.285E-01 0.267E-01 RMM: 4 -0.323615645035E+03 0.41794E-03 -0.16103E-03 4855 0.849E-02 0.147E-01 RMM: 5 -0.323615601980E+03 0.43055E-04 -0.27057E-04 3911 0.397E-02 0.143E-01 RMM: 6 -0.323615465510E+03 0.13647E-03 -0.10109E-04 3707 0.284E-02 0.461E-02 RMM: 7 -0.323615479141E+03 -0.13631E-04 -0.32014E-05 2780 0.167E-02 8122 T= 7119. E= 0.68588807E+03 F= 0.62699397E+03 E0= 0.65502296E+03 EK= 0.58894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323132073015E+03 0.48339E+00 -0.19539E-01 8052 0.245E+01 0.290E-01 RMM: 2 -0.323153601117E+03 -0.21528E-01 -0.12084E-01 5058 0.820E-01 0.128E+00 RMM: 3 -0.323141708290E+03 0.11893E-01 -0.14202E-02 5436 0.264E-01 0.276E-01 RMM: 4 -0.323141202088E+03 0.50620E-03 -0.13603E-03 4762 0.781E-02 0.124E-01 RMM: 5 -0.323141195399E+03 0.66893E-05 -0.24340E-04 3918 0.398E-02 0.137E-01 RMM: 6 -0.323141075792E+03 0.11961E-03 -0.10055E-04 3729 0.284E-02 0.519E-02 RMM: 7 -0.323141105905E+03 -0.30113E-04 -0.53209E-05 3239 0.210E-02 0.858E-02 RMM: 8 -0.323141072242E+03 0.33663E-04 -0.39848E-05 2908 0.195E-02 0.521E-02 RMM: 9 -0.323141056300E+03 0.15942E-04 -0.16430E-05 2514 0.124E-02 8123 T= 6694. E= 0.68294142E+03 F= 0.62756077E+03 E0= 0.65559847E+03 EK= 0.55381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322937220383E+03 0.20385E+00 -0.17863E-01 8052 0.237E+01 0.214E-01 RMM: 2 -0.322952329506E+03 -0.15109E-01 -0.10961E-01 5132 0.752E-01 0.914E-01 RMM: 3 -0.322945992944E+03 0.63366E-02 -0.10438E-02 5631 0.212E-01 0.153E-01 RMM: 4 -0.322945921917E+03 0.71027E-04 -0.79527E-04 4695 0.631E-02 0.172E-01 RMM: 5 -0.322945741087E+03 0.18083E-03 -0.17047E-04 3894 0.356E-02 0.875E-02 RMM: 6 -0.322945703923E+03 0.37164E-04 -0.74038E-05 3513 0.245E-02 0.564E-02 RMM: 7 -0.322945717919E+03 -0.13996E-04 -0.49034E-05 3109 0.203E-02 8124 T= 6222. E= 0.67932429E+03 F= 0.62785465E+03 E0= 0.65590082E+03 EK= 0.51470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323093960688E+03 -0.14826E+00 -0.17057E-01 8304 0.231E+01 0.223E-01 RMM: 2 -0.323108339351E+03 -0.14379E-01 -0.10295E-01 5157 0.738E-01 0.902E-01 RMM: 3 -0.323102307402E+03 0.60319E-02 -0.10322E-02 5780 0.205E-01 0.206E-01 RMM: 4 -0.323101991700E+03 0.31570E-03 -0.76380E-04 4665 0.633E-02 0.130E-01 RMM: 5 -0.323101909613E+03 0.82087E-04 -0.18071E-04 3902 0.364E-02 0.105E-01 RMM: 6 -0.323101868926E+03 0.40687E-04 -0.95485E-05 3676 0.273E-02 0.760E-02 RMM: 7 -0.323101912564E+03 -0.43638E-04 -0.80239E-05 3716 0.240E-02 0.111E-01 RMM: 8 -0.323101835164E+03 0.77400E-04 -0.45438E-05 3177 0.207E-02 0.344E-02 RMM: 9 -0.323101833509E+03 0.16546E-05 -0.14513E-05 2504 0.111E-02 8125 T= 5874. E= 0.67639531E+03 F= 0.62780372E+03 E0= 0.65585805E+03 EK= 0.48592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323625356312E+03 -0.52352E+00 -0.17027E-01 8460 0.227E+01 0.200E-01 RMM: 2 -0.323638115902E+03 -0.12760E-01 -0.10748E-01 5071 0.739E-01 0.703E-01 RMM: 3 -0.323634086152E+03 0.40297E-02 -0.10394E-02 5909 0.199E-01 0.179E-01 RMM: 4 -0.323633826469E+03 0.25968E-03 -0.69894E-04 4650 0.620E-02 0.136E-01 RMM: 5 -0.323633740768E+03 0.85701E-04 -0.16340E-04 3891 0.342E-02 0.104E-01 RMM: 6 -0.323633676235E+03 0.64533E-04 -0.68385E-05 3451 0.242E-02 0.439E-02 RMM: 7 -0.323633705430E+03 -0.29195E-04 -0.40140E-05 3011 0.185E-02 0.816E-02 RMM: 8 -0.323633663885E+03 0.41545E-04 -0.27067E-05 2625 0.168E-02 0.254E-02 RMM: 9 -0.323633661836E+03 0.20496E-05 -0.85331E-06 2455 0.822E-03 8126 T= 5747. E= 0.67492290E+03 F= 0.62738296E+03 E0= 0.65544601E+03 EK= 0.47540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324508839831E+03 -0.87518E+00 -0.17082E-01 8904 0.229E+01 0.207E-01 RMM: 2 -0.324521270784E+03 -0.12431E-01 -0.98053E-02 5325 0.684E-01 0.761E-01 RMM: 3 -0.324516512251E+03 0.47585E-02 -0.81929E-03 5885 0.176E-01 0.155E-01 RMM: 4 -0.324516456756E+03 0.55495E-04 -0.68772E-04 4662 0.625E-02 0.183E-01 RMM: 5 -0.324516259189E+03 0.19757E-03 -0.16388E-04 3880 0.324E-02 0.100E-01 RMM: 6 -0.324516203592E+03 0.55597E-04 -0.62759E-05 3412 0.228E-02 0.548E-02 RMM: 7 -0.324516235879E+03 -0.32287E-04 -0.71328E-05 3628 0.224E-02 0.903E-02 RMM: 8 -0.324516181053E+03 0.54826E-04 -0.36940E-05 3024 0.188E-02 0.215E-02 RMM: 9 -0.324516181209E+03 -0.15562E-06 -0.10124E-05 2467 0.906E-03 8127 T= 5864. E= 0.67512482E+03 F= 0.62661574E+03 E0= 0.65468815E+03 EK= 0.48509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325669903127E+03 -0.11537E+01 -0.18135E-01 8784 0.234E+01 0.229E-01 RMM: 2 -0.325683016602E+03 -0.13113E-01 -0.11000E-01 5295 0.722E-01 0.754E-01 RMM: 3 -0.325678453441E+03 0.45632E-02 -0.95463E-03 5923 0.190E-01 0.184E-01 RMM: 4 -0.325678310383E+03 0.14306E-03 -0.80498E-04 4676 0.664E-02 0.187E-01 RMM: 5 -0.325678105189E+03 0.20519E-03 -0.18733E-04 3891 0.333E-02 0.105E-01 RMM: 6 -0.325678037014E+03 0.68175E-04 -0.64588E-05 3402 0.236E-02 0.445E-02 RMM: 7 -0.325678065274E+03 -0.28260E-04 -0.51478E-05 3212 0.196E-02 0.829E-02 RMM: 8 -0.325678023378E+03 0.41896E-04 -0.36587E-05 2832 0.180E-02 0.307E-02 RMM: 9 -0.325678019769E+03 0.36087E-05 -0.11998E-05 2468 0.997E-03 8128 T= 6188. E= 0.67676001E+03 F= 0.62557153E+03 E0= 0.65365438E+03 EK= 0.51188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326998106455E+03 -0.13201E+01 -0.20306E-01 8976 0.242E+01 0.240E-01 RMM: 2 -0.327012438832E+03 -0.14332E-01 -0.11930E-01 5357 0.746E-01 0.797E-01 RMM: 3 -0.327007447967E+03 0.49909E-02 -0.10286E-02 5952 0.192E-01 0.182E-01 RMM: 4 -0.327007416895E+03 0.31072E-04 -0.91582E-04 4672 0.725E-02 0.229E-01 RMM: 5 -0.327007080498E+03 0.33640E-03 -0.22887E-04 3886 0.377E-02 0.988E-02 RMM: 6 -0.327007021261E+03 0.59236E-04 -0.60819E-05 3362 0.226E-02 0.468E-02 RMM: 7 -0.327007044533E+03 -0.23272E-04 -0.48181E-05 3137 0.190E-02 0.811E-02 RMM: 8 -0.327007003048E+03 0.41485E-04 -0.39885E-05 2857 0.185E-02 0.288E-02 RMM: 9 -0.327007002780E+03 0.26778E-06 -0.14624E-05 2485 0.110E-02 8129 T= 6616. E= 0.67909222E+03 F= 0.62436120E+03 E0= 0.65245650E+03 EK= 0.54731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328353906007E+03 -0.13469E+01 -0.22896E-01 8940 0.249E+01 0.255E-01 RMM: 2 -0.328370013959E+03 -0.16108E-01 -0.13881E-01 5278 0.815E-01 0.809E-01 RMM: 3 -0.328364781810E+03 0.52321E-02 -0.12080E-02 5928 0.213E-01 0.181E-01 RMM: 4 -0.328364780502E+03 0.13081E-05 -0.10207E-03 4699 0.753E-02 0.245E-01 RMM: 5 -0.328364393727E+03 0.38677E-03 -0.25222E-04 3897 0.391E-02 0.109E-01 RMM: 6 -0.328364322016E+03 0.71711E-04 -0.68113E-05 3447 0.236E-02 0.449E-02 RMM: 7 -0.328364343504E+03 -0.21488E-04 -0.44911E-05 3062 0.187E-02 0.797E-02 RMM: 8 -0.328364302806E+03 0.40698E-04 -0.37515E-05 2769 0.179E-02 0.283E-02 RMM: 9 -0.328364304588E+03 -0.17823E-05 -0.16509E-05 2490 0.118E-02 8130 T= 6986. E= 0.68091476E+03 F= 0.62312341E+03 E0= 0.65123420E+03 EK= 0.57791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329602912352E+03 -0.12386E+01 -0.24016E-01 8904 0.253E+01 0.253E-01 RMM: 2 -0.329619785278E+03 -0.16873E-01 -0.14413E-01 5322 0.822E-01 0.824E-01 RMM: 3 -0.329614273896E+03 0.55114E-02 -0.11858E-02 5963 0.209E-01 0.180E-01 RMM: 4 -0.329614292031E+03 -0.18135E-04 -0.10150E-03 4708 0.762E-02 0.254E-01 RMM: 5 -0.329613874390E+03 0.41764E-03 -0.26034E-04 3893 0.405E-02 0.988E-02 RMM: 6 -0.329613816362E+03 0.58029E-04 -0.63276E-05 3380 0.228E-02 0.484E-02 RMM: 7 -0.329613842871E+03 -0.26509E-04 -0.57271E-05 3366 0.205E-02 0.847E-02 RMM: 8 -0.329613796410E+03 0.46461E-04 -0.36650E-05 2874 0.180E-02 0.252E-02 RMM: 9 -0.329613799466E+03 -0.30555E-05 -0.14065E-05 2486 0.109E-02 8131 T= 7130. E= 0.68097659E+03 F= 0.62199544E+03 E0= 0.65012588E+03 EK= 0.58981E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330646776986E+03 -0.10330E+01 -0.24336E-01 8784 0.252E+01 0.247E-01 RMM: 2 -0.330663765824E+03 -0.16989E-01 -0.14166E-01 5316 0.811E-01 0.844E-01 RMM: 3 -0.330657896320E+03 0.58695E-02 -0.11478E-02 5936 0.211E-01 0.165E-01 RMM: 4 -0.330657943096E+03 -0.46776E-04 -0.98720E-04 4696 0.741E-02 0.244E-01 RMM: 5 -0.330657569890E+03 0.37321E-03 -0.23982E-04 3887 0.382E-02 0.105E-01 RMM: 6 -0.330657508866E+03 0.61024E-04 -0.70314E-05 3462 0.239E-02 0.520E-02 RMM: 7 -0.330657547619E+03 -0.38753E-04 -0.67503E-05 3590 0.220E-02 0.953E-02 RMM: 8 -0.330657487037E+03 0.60582E-04 -0.35731E-05 2947 0.181E-02 0.213E-02 RMM: 9 -0.330657490009E+03 -0.29724E-05 -0.11752E-05 2473 0.995E-03 8132 T= 6973. E= 0.67876619E+03 F= 0.62107739E+03 E0= 0.64923211E+03 EK= 0.57689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331449115069E+03 -0.79163E+00 -0.22966E-01 8916 0.246E+01 0.220E-01 RMM: 2 -0.331463842443E+03 -0.14727E-01 -0.13115E-01 5345 0.767E-01 0.704E-01 RMM: 3 -0.331459415495E+03 0.44269E-02 -0.10304E-02 6123 0.191E-01 0.151E-01 RMM: 4 -0.331459412798E+03 0.26971E-05 -0.75439E-04 4680 0.663E-02 0.223E-01 RMM: 5 -0.331459081608E+03 0.33119E-03 -0.20628E-04 3882 0.368E-02 0.857E-02 RMM: 6 -0.331459061673E+03 0.19935E-04 -0.79666E-05 3546 0.251E-02 8133 T= 6590. E= 0.67492356E+03 F= 0.62040784E+03 E0= 0.64859175E+03 EK= 0.54516E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332024728426E+03 -0.56565E+00 -0.20873E-01 8724 0.238E+01 0.344E-01 RMM: 2 -0.332056636219E+03 -0.31908E-01 -0.12652E-01 5141 0.793E-01 0.178E+00 RMM: 3 -0.332034123353E+03 0.22513E-01 -0.16048E-02 5377 0.291E-01 0.251E-01 RMM: 4 -0.332033813739E+03 0.30961E-03 -0.16788E-03 4845 0.827E-02 0.169E-01 RMM: 5 -0.332033728639E+03 0.85100E-04 -0.29285E-04 3946 0.434E-02 0.159E-01 RMM: 6 -0.332033583894E+03 0.14474E-03 -0.14387E-04 3879 0.335E-02 0.727E-02 RMM: 7 -0.332033659661E+03 -0.75767E-04 -0.11735E-04 3851 0.291E-02 0.128E-01 RMM: 8 -0.332033559950E+03 0.99711E-04 -0.59581E-05 3384 0.236E-02 0.397E-02 RMM: 9 -0.332033554109E+03 0.58411E-05 -0.13065E-05 2507 0.107E-02 8134 T= 6142. E= 0.67078414E+03 F= 0.61997335E+03 E0= 0.64818995E+03 EK= 0.50811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332408303905E+03 -0.37474E+00 -0.18002E-01 8784 0.230E+01 0.304E-01 RMM: 2 -0.332434650366E+03 -0.26346E-01 -0.99271E-02 5245 0.695E-01 0.164E+00 RMM: 3 -0.332415491943E+03 0.19158E-01 -0.11499E-02 5378 0.249E-01 0.268E-01 RMM: 4 -0.332415064719E+03 0.42722E-03 -0.14145E-03 4694 0.807E-02 0.156E-01 RMM: 5 -0.332415044215E+03 0.20504E-04 -0.28016E-04 3948 0.452E-02 0.159E-01 RMM: 6 -0.332414865946E+03 0.17827E-03 -0.12323E-04 3875 0.315E-02 0.463E-02 RMM: 7 -0.332414922057E+03 -0.56110E-04 -0.73815E-05 3523 0.224E-02 0.106E-01 RMM: 8 -0.332414851746E+03 0.70311E-04 -0.41942E-05 3087 0.210E-02 0.273E-02 RMM: 9 -0.332414849312E+03 0.24341E-05 -0.93173E-06 2468 0.870E-03 8135 T= 5784. E= 0.66759337E+03 F= 0.61974024E+03 E0= 0.64799298E+03 EK= 0.47853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332617128407E+03 -0.20228E+00 -0.16621E-01 8520 0.225E+01 0.245E-01 RMM: 2 -0.332630916826E+03 -0.13788E-01 -0.87286E-02 5120 0.658E-01 0.985E-01 RMM: 3 -0.332623797677E+03 0.71191E-02 -0.89559E-03 5503 0.198E-01 0.193E-01 RMM: 4 -0.332623651229E+03 0.14645E-03 -0.89186E-04 4671 0.669E-02 0.172E-01 RMM: 5 -0.332623503658E+03 0.14757E-03 -0.22863E-04 3883 0.401E-02 0.123E-01 RMM: 6 -0.332623425735E+03 0.77923E-04 -0.10262E-04 3763 0.286E-02 0.662E-02 RMM: 7 -0.332623468306E+03 -0.42571E-04 -0.72053E-05 3527 0.234E-02 0.105E-01 RMM: 8 -0.332623397384E+03 0.70923E-04 -0.40069E-05 3107 0.204E-02 0.259E-02 RMM: 9 -0.332623397277E+03 0.10632E-06 -0.90208E-06 2465 0.858E-03 8136 T= 5612. E= 0.66611100E+03 F= 0.61968657E+03 E0= 0.64797736E+03 EK= 0.46424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332645422394E+03 -0.22025E-01 -0.15978E-01 8616 0.224E+01 0.224E-01 RMM: 2 -0.332654485455E+03 -0.90631E-02 -0.66399E-02 5305 0.568E-01 0.767E-01 RMM: 3 -0.332650105010E+03 0.43804E-02 -0.57885E-03 5636 0.159E-01 0.159E-01 RMM: 4 -0.332650179307E+03 -0.74298E-04 -0.67192E-04 4652 0.605E-02 0.218E-01 RMM: 5 -0.332649899902E+03 0.27940E-03 -0.20427E-04 3880 0.374E-02 0.107E-01 RMM: 6 -0.332649841463E+03 0.58439E-04 -0.91004E-05 3661 0.272E-02 0.595E-02 RMM: 7 -0.332649878185E+03 -0.36721E-04 -0.51877E-05 3262 0.202E-02 0.949E-02 RMM: 8 -0.332649818105E+03 0.60079E-04 -0.30360E-05 2868 0.181E-02 0.180E-02 RMM: 9 -0.332649820684E+03 -0.25789E-05 -0.85242E-06 2459 0.815E-03 8137 T= 5659. E= 0.66663204E+03 F= 0.61981890E+03 E0= 0.64814952E+03 EK= 0.46813E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332449287679E+03 0.20053E+00 -0.16786E-01 8292 0.227E+01 0.212E-01 RMM: 2 -0.332457409013E+03 -0.81213E-02 -0.73280E-02 5111 0.610E-01 0.582E-01 RMM: 3 -0.332454878228E+03 0.25308E-02 -0.70170E-03 5861 0.162E-01 0.159E-01 RMM: 4 -0.332454925899E+03 -0.47670E-04 -0.65910E-04 4627 0.624E-02 0.223E-01 RMM: 5 -0.332454586820E+03 0.33908E-03 -0.21099E-04 3886 0.374E-02 0.747E-02 RMM: 6 -0.332454573230E+03 0.13590E-04 -0.60210E-05 3378 0.222E-02 8138 T= 5912. E= 0.66908518E+03 F= 0.62017346E+03 E0= 0.64854460E+03 EK= 0.48912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331970148472E+03 0.48444E+00 -0.17195E-01 8604 0.234E+01 0.332E-01 RMM: 2 -0.331989985644E+03 -0.19837E-01 -0.70587E-02 5308 0.614E-01 0.149E+00 RMM: 3 -0.331974625477E+03 0.15360E-01 -0.10195E-02 5359 0.243E-01 0.274E-01 RMM: 4 -0.331974346223E+03 0.27925E-03 -0.14341E-03 4646 0.823E-02 0.200E-01 RMM: 5 -0.331974208697E+03 0.13753E-03 -0.26688E-04 3888 0.396E-02 0.164E-01 RMM: 6 -0.331974033209E+03 0.17549E-03 -0.11312E-04 3804 0.305E-02 0.596E-02 RMM: 7 -0.331974073996E+03 -0.40787E-04 -0.86124E-05 3671 0.250E-02 0.100E-01 RMM: 8 -0.331974019516E+03 0.54480E-04 -0.44554E-05 3125 0.203E-02 0.473E-02 RMM: 9 -0.331974006915E+03 0.12601E-04 -0.13008E-05 2494 0.108E-02 8139 T= 6310. E= 0.67300858E+03 F= 0.62081122E+03 E0= 0.64922419E+03 EK= 0.52197E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331139574760E+03 0.83444E+00 -0.18352E-01 8448 0.241E+01 0.315E-01 RMM: 2 -0.331159106712E+03 -0.19532E-01 -0.77913E-02 5226 0.651E-01 0.143E+00 RMM: 3 -0.331145054319E+03 0.14052E-01 -0.10195E-02 5379 0.238E-01 0.319E-01 RMM: 4 -0.331144499328E+03 0.55499E-03 -0.15495E-03 4707 0.875E-02 0.172E-01 RMM: 5 -0.331144461039E+03 0.38289E-04 -0.26775E-04 3879 0.417E-02 0.165E-01 RMM: 6 -0.331144268854E+03 0.19218E-03 -0.95291E-05 3698 0.287E-02 0.414E-02 RMM: 7 -0.331144278217E+03 -0.93623E-05 -0.36726E-05 2972 0.171E-02 8140 T= 6729. E= 0.67746046E+03 F= 0.62179483E+03 E0= 0.65024942E+03 EK= 0.55666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329933112303E+03 0.12112E+01 -0.19475E-01 8232 0.247E+01 0.268E-01 RMM: 2 -0.329949498544E+03 -0.16386E-01 -0.80219E-02 5225 0.647E-01 0.122E+00 RMM: 3 -0.329938981540E+03 0.10517E-01 -0.87440E-03 5401 0.210E-01 0.213E-01 RMM: 4 -0.329938940295E+03 0.41245E-04 -0.11494E-03 4692 0.761E-02 0.209E-01 RMM: 5 -0.329938744364E+03 0.19593E-03 -0.22778E-04 3883 0.374E-02 0.142E-01 RMM: 6 -0.329938610721E+03 0.13364E-03 -0.87612E-05 3635 0.266E-02 0.482E-02 RMM: 7 -0.329938665050E+03 -0.54329E-04 -0.65684E-05 3462 0.211E-02 0.106E-01 RMM: 8 -0.329938594832E+03 0.70218E-04 -0.38528E-05 3016 0.199E-02 0.311E-02 RMM: 9 -0.329938590775E+03 0.40569E-05 -0.10340E-05 2470 0.938E-03 8141 T= 7011. E= 0.68115330E+03 F= 0.62315162E+03 E0= 0.65164715E+03 EK= 0.58002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328395032879E+03 0.15436E+01 -0.19939E-01 8040 0.249E+01 0.232E-01 RMM: 2 -0.328408995774E+03 -0.13963E-01 -0.94072E-02 4981 0.711E-01 0.971E-01 RMM: 3 -0.328402406665E+03 0.65891E-02 -0.98339E-03 5616 0.205E-01 0.189E-01 RMM: 4 -0.328402297695E+03 0.10897E-03 -0.94937E-04 4685 0.719E-02 0.182E-01 RMM: 5 -0.328402124413E+03 0.17328E-03 -0.21479E-04 3884 0.373E-02 0.119E-01 RMM: 6 -0.328402039291E+03 0.85122E-04 -0.80708E-05 3547 0.258E-02 0.526E-02 RMM: 7 -0.328402088216E+03 -0.48925E-04 -0.59812E-05 3370 0.212E-02 0.102E-01 RMM: 8 -0.328402020877E+03 0.67339E-04 -0.37284E-05 2961 0.192E-02 0.274E-02 RMM: 9 -0.328402018363E+03 0.25139E-05 -0.10545E-05 2466 0.916E-03 8142 T= 7034. E= 0.68302740E+03 F= 0.62483845E+03 E0= 0.65337407E+03 EK= 0.58189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326648946687E+03 0.17531E+01 -0.19799E-01 7800 0.247E+01 0.217E-01 RMM: 2 -0.326662197485E+03 -0.13251E-01 -0.10294E-01 4927 0.746E-01 0.826E-01 RMM: 3 -0.326657275806E+03 0.49217E-02 -0.11040E-02 5736 0.210E-01 0.169E-01 RMM: 4 -0.326657122445E+03 0.15336E-03 -0.79020E-04 4695 0.657E-02 0.165E-01 RMM: 5 -0.326656996857E+03 0.12559E-03 -0.19842E-04 3886 0.375E-02 0.119E-01 RMM: 6 -0.326656922983E+03 0.73874E-04 -0.92825E-05 3663 0.273E-02 0.627E-02 RMM: 7 -0.326656972570E+03 -0.49587E-04 -0.70119E-05 3513 0.235E-02 0.106E-01 RMM: 8 -0.326656900562E+03 0.72007E-04 -0.37280E-05 3045 0.197E-02 0.291E-02 RMM: 9 -0.326656898693E+03 0.18694E-05 -0.10097E-05 2474 0.916E-03 8143 T= 6792. E= 0.68292649E+03 F= 0.62673556E+03 E0= 0.65531051E+03 EK= 0.56191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324860873223E+03 0.17960E+01 -0.18796E-01 7896 0.241E+01 0.208E-01 RMM: 2 -0.324873702908E+03 -0.12830E-01 -0.10226E-01 4905 0.748E-01 0.792E-01 RMM: 3 -0.324869340659E+03 0.43622E-02 -0.11006E-02 5862 0.204E-01 0.175E-01 RMM: 4 -0.324869104053E+03 0.23661E-03 -0.70119E-04 4667 0.635E-02 0.147E-01 RMM: 5 -0.324868993636E+03 0.11042E-03 -0.20990E-04 3910 0.408E-02 0.108E-01 RMM: 6 -0.324868950134E+03 0.43501E-04 -0.10668E-04 3789 0.288E-02 0.760E-02 RMM: 7 -0.324868984624E+03 -0.34490E-04 -0.63522E-05 3437 0.230E-02 0.104E-01 RMM: 8 -0.324868914420E+03 0.70204E-04 -0.35195E-05 3007 0.192E-02 0.254E-02 RMM: 9 -0.324868917119E+03 -0.26982E-05 -0.10963E-05 2473 0.944E-03 8144 T= 6405. E= 0.68166961E+03 F= 0.62867946E+03 E0= 0.65729299E+03 EK= 0.52990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323185857077E+03 0.16831E+01 -0.18168E-01 7752 0.234E+01 0.229E-01 RMM: 2 -0.323202069646E+03 -0.16213E-01 -0.11468E-01 4913 0.788E-01 0.979E-01 RMM: 3 -0.323195229039E+03 0.68406E-02 -0.12403E-02 5726 0.223E-01 0.199E-01 RMM: 4 -0.323194917858E+03 0.31118E-03 -0.87979E-04 4697 0.679E-02 0.137E-01 RMM: 5 -0.323194860728E+03 0.57130E-04 -0.23740E-04 3935 0.426E-02 0.129E-01 RMM: 6 -0.323194773999E+03 0.86729E-04 -0.11969E-04 3857 0.306E-02 0.699E-02 RMM: 7 -0.323194830249E+03 -0.56250E-04 -0.82337E-05 3620 0.254E-02 0.113E-01 RMM: 8 -0.323194746532E+03 0.83717E-04 -0.42332E-05 3148 0.208E-02 0.284E-02 RMM: 9 -0.323194747411E+03 -0.87870E-06 -0.10945E-05 2486 0.947E-03 8145 T= 6036. E= 0.68045008E+03 F= 0.63051448E+03 E0= 0.65916662E+03 EK= 0.49936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321738652080E+03 0.14561E+01 -0.17222E-01 8088 0.228E+01 0.222E-01 RMM: 2 -0.321752206899E+03 -0.13555E-01 -0.10441E-01 5002 0.738E-01 0.842E-01 RMM: 3 -0.321747063152E+03 0.51437E-02 -0.10661E-02 5877 0.201E-01 0.183E-01 RMM: 4 -0.321746846438E+03 0.21671E-03 -0.76318E-04 4662 0.658E-02 0.164E-01 RMM: 5 -0.321746709566E+03 0.13687E-03 -0.22999E-04 3927 0.418E-02 0.115E-01 RMM: 6 -0.321746654609E+03 0.54957E-04 -0.11491E-04 3836 0.300E-02 0.750E-02 RMM: 7 -0.321746701765E+03 -0.47157E-04 -0.67619E-05 3472 0.233E-02 0.111E-01 RMM: 8 -0.321746621456E+03 0.80309E-04 -0.39020E-05 3079 0.201E-02 0.281E-02 RMM: 9 -0.321746622354E+03 -0.89759E-06 -0.11505E-05 2480 0.971E-03 8146 T= 5814. E= 0.68022314E+03 F= 0.63212780E+03 E0= 0.66081841E+03 EK= 0.48095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320575801001E+03 0.11708E+01 -0.17420E-01 8280 0.227E+01 0.242E-01 RMM: 2 -0.320591341521E+03 -0.15541E-01 -0.11017E-01 5026 0.747E-01 0.972E-01 RMM: 3 -0.320584511473E+03 0.68300E-02 -0.11411E-02 5760 0.215E-01 0.196E-01 RMM: 4 -0.320584318037E+03 0.19344E-03 -0.96430E-04 4683 0.716E-02 0.177E-01 RMM: 5 -0.320584196213E+03 0.12182E-03 -0.23327E-04 3892 0.396E-02 0.139E-01 RMM: 6 -0.320584082555E+03 0.11366E-03 -0.10261E-04 3745 0.288E-02 0.589E-02 RMM: 7 -0.320584137251E+03 -0.54696E-04 -0.79534E-05 3594 0.245E-02 0.106E-01 RMM: 8 -0.320584064188E+03 0.73063E-04 -0.41101E-05 3108 0.206E-02 0.285E-02 RMM: 9 -0.320584063273E+03 0.91524E-06 -0.10610E-05 2483 0.931E-03 8147 T= 5806. E= 0.68148967E+03 F= 0.63345791E+03 E0= 0.66218743E+03 EK= 0.48032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319711738409E+03 0.87233E+00 -0.18238E-01 8868 0.229E+01 0.247E-01 RMM: 2 -0.319726523578E+03 -0.14785E-01 -0.11373E-01 5160 0.736E-01 0.888E-01 RMM: 3 -0.319720587494E+03 0.59361E-02 -0.10639E-02 5843 0.203E-01 0.197E-01 RMM: 4 -0.319720492211E+03 0.95283E-04 -0.98825E-04 4672 0.739E-02 0.216E-01 RMM: 5 -0.319720237628E+03 0.25458E-03 -0.23516E-04 3900 0.387E-02 0.124E-01 RMM: 6 -0.319720149855E+03 0.87773E-04 -0.94314E-05 3648 0.280E-02 0.564E-02 RMM: 7 -0.319720203024E+03 -0.53169E-04 -0.65399E-05 3437 0.220E-02 0.106E-01 RMM: 8 -0.319720132742E+03 0.70283E-04 -0.41572E-05 3068 0.201E-02 0.328E-02 RMM: 9 -0.319720129200E+03 0.35413E-05 -0.12656E-05 2484 0.102E-02 8148 T= 6023. E= 0.68431205E+03 F= 0.63448912E+03 E0= 0.66325724E+03 EK= 0.49823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319126788786E+03 0.59334E+00 -0.19824E-01 8928 0.234E+01 0.260E-01 RMM: 2 -0.319144454435E+03 -0.17666E-01 -0.13398E-01 5258 0.781E-01 0.980E-01 RMM: 3 -0.319137150306E+03 0.73041E-02 -0.11950E-02 5792 0.217E-01 0.204E-01 RMM: 4 -0.319137105158E+03 0.45148E-04 -0.11904E-03 4716 0.803E-02 0.234E-01 RMM: 5 -0.319136805441E+03 0.29972E-03 -0.25793E-04 3902 0.389E-02 0.136E-01 RMM: 6 -0.319136689618E+03 0.11582E-03 -0.87663E-05 3612 0.268E-02 0.525E-02 RMM: 7 -0.319136728164E+03 -0.38545E-04 -0.70575E-05 3498 0.227E-02 0.950E-02 RMM: 8 -0.319136673504E+03 0.54659E-04 -0.47545E-05 3137 0.203E-02 0.344E-02 RMM: 9 -0.319136670134E+03 0.33700E-05 -0.13897E-05 2498 0.107E-02 8149 T= 6413. E= 0.68828685E+03 F= 0.63523742E+03 E0= 0.66404366E+03 EK= 0.53049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318786500339E+03 0.35017E+00 -0.22008E-01 9096 0.242E+01 0.258E-01 RMM: 2 -0.318804988607E+03 -0.18488E-01 -0.16202E-01 5217 0.847E-01 0.807E-01 RMM: 3 -0.318799340376E+03 0.56482E-02 -0.14075E-02 5988 0.223E-01 0.194E-01 RMM: 4 -0.318799323115E+03 0.17261E-04 -0.11726E-03 4731 0.812E-02 0.271E-01 RMM: 5 -0.318798877423E+03 0.44569E-03 -0.29577E-04 3928 0.433E-02 0.118E-01 RMM: 6 -0.318798795429E+03 0.81994E-04 -0.79959E-05 3531 0.256E-02 0.531E-02 RMM: 7 -0.318798830305E+03 -0.34875E-04 -0.59908E-05 3350 0.209E-02 0.945E-02 RMM: 8 -0.318798776508E+03 0.53796E-04 -0.47885E-05 3107 0.197E-02 0.361E-02 RMM: 9 -0.318798774395E+03 0.21131E-05 -0.18505E-05 2517 0.124E-02 8150 T= 6856. E= 0.69245062E+03 F= 0.63573693E+03 E0= 0.66457956E+03 EK= 0.56714E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318655387295E+03 0.14339E+00 -0.25182E-01 9060 0.248E+01 0.261E-01 RMM: 2 -0.318677257212E+03 -0.21870E-01 -0.19011E-01 5279 0.911E-01 0.871E-01 RMM: 3 -0.318670700461E+03 0.65568E-02 -0.15795E-02 5949 0.236E-01 0.201E-01 RMM: 4 -0.318670628079E+03 0.72382E-04 -0.12972E-03 4815 0.853E-02 0.262E-01 RMM: 5 -0.318670216846E+03 0.41123E-03 -0.31236E-04 3910 0.437E-02 0.122E-01 RMM: 6 -0.318670125362E+03 0.91483E-04 -0.77232E-05 3518 0.246E-02 0.531E-02 RMM: 7 -0.318670157074E+03 -0.31712E-04 -0.75806E-05 3651 0.228E-02 0.920E-02 RMM: 8 -0.318670106462E+03 0.50612E-04 -0.49222E-05 3166 0.202E-02 0.356E-02 RMM: 9 -0.318670104818E+03 0.16435E-05 -0.15409E-05 2507 0.112E-02 8151 T= 7177. E= 0.69539571E+03 F= 0.63602502E+03 E0= 0.66490210E+03 EK= 0.59371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318712233797E+03 -0.42127E-01 -0.27284E-01 9048 0.250E+01 0.249E-01 RMM: 2 -0.318735613736E+03 -0.23380E-01 -0.21830E-01 5281 0.969E-01 0.721E-01 RMM: 3 -0.318730455146E+03 0.51586E-02 -0.18113E-02 6082 0.243E-01 0.184E-01 RMM: 4 -0.318730359663E+03 0.95483E-04 -0.12106E-03 4798 0.817E-02 0.273E-01 RMM: 5 -0.318729902232E+03 0.45743E-03 -0.31390E-04 3961 0.444E-02 0.110E-01 RMM: 6 -0.318729836731E+03 0.65501E-04 -0.86173E-05 3611 0.259E-02 0.598E-02 RMM: 7 -0.318729879216E+03 -0.42484E-04 -0.71763E-05 3581 0.223E-02 0.103E-01 RMM: 8 -0.318729813949E+03 0.65267E-04 -0.47868E-05 3166 0.203E-02 0.344E-02 RMM: 9 -0.318729812363E+03 0.15857E-05 -0.15766E-05 2504 0.113E-02 8152 T= 7226. E= 0.69590150E+03 F= 0.63612519E+03 E0= 0.66503394E+03 EK= 0.59776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318971393935E+03 -0.24158E+00 -0.28275E-01 8904 0.247E+01 0.246E-01 RMM: 2 -0.318996847345E+03 -0.25453E-01 -0.22446E-01 5446 0.981E-01 0.853E-01 RMM: 3 -0.318990154928E+03 0.66924E-02 -0.16331E-02 5883 0.240E-01 0.196E-01 RMM: 4 -0.318989964989E+03 0.18994E-03 -0.11961E-03 4856 0.809E-02 0.226E-01 RMM: 5 -0.318989680637E+03 0.28435E-03 -0.28469E-04 3916 0.426E-02 0.123E-01 RMM: 6 -0.318989599161E+03 0.81476E-04 -0.95044E-05 3712 0.270E-02 0.657E-02 RMM: 7 -0.318989653000E+03 -0.53839E-04 -0.92232E-05 3828 0.248E-02 0.110E-01 RMM: 8 -0.318989575576E+03 0.77424E-04 -0.48157E-05 3224 0.211E-02 0.334E-02 RMM: 9 -0.318989572455E+03 0.31213E-05 -0.11374E-05 2490 0.965E-03 8153 T= 6979. E= 0.69376339E+03 F= 0.63602924E+03 E0= 0.66496770E+03 EK= 0.57734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319474511148E+03 -0.48494E+00 -0.25851E-01 9012 0.240E+01 0.237E-01 RMM: 2 -0.319495933877E+03 -0.21423E-01 -0.18877E-01 5544 0.899E-01 0.793E-01 RMM: 3 -0.319490074269E+03 0.58596E-02 -0.12951E-02 5831 0.224E-01 0.172E-01 RMM: 4 -0.319489998098E+03 0.76170E-04 -0.98160E-04 4759 0.712E-02 0.221E-01 RMM: 5 -0.319489711200E+03 0.28690E-03 -0.27296E-04 3933 0.435E-02 0.112E-01 RMM: 6 -0.319489673834E+03 0.37366E-04 -0.12205E-04 3873 0.301E-02 0.869E-02 RMM: 7 -0.319489719325E+03 -0.45490E-04 -0.83411E-05 3651 0.247E-02 0.119E-01 RMM: 8 -0.319489627360E+03 0.91965E-04 -0.49539E-05 3229 0.216E-02 0.312E-02 RMM: 9 -0.319489626237E+03 0.11234E-05 -0.12068E-05 2487 0.995E-03 8154 T= 6557. E= 0.68994749E+03 F= 0.63570022E+03 E0= 0.66466666E+03 EK= 0.54247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320261462932E+03 -0.77184E+00 -0.23176E-01 8964 0.232E+01 0.239E-01 RMM: 2 -0.320282425122E+03 -0.20962E-01 -0.17118E-01 5452 0.865E-01 0.910E-01 RMM: 3 -0.320275534495E+03 0.68906E-02 -0.12930E-02 5829 0.219E-01 0.195E-01 RMM: 4 -0.320275307374E+03 0.22712E-03 -0.10208E-03 4763 0.743E-02 0.194E-01 RMM: 5 -0.320275098932E+03 0.20844E-03 -0.29448E-04 3999 0.462E-02 0.120E-01 RMM: 6 -0.320275049147E+03 0.49785E-04 -0.11952E-04 3876 0.295E-02 0.896E-02 RMM: 7 -0.320275077345E+03 -0.28199E-04 -0.89858E-05 3766 0.257E-02 0.110E-01 RMM: 8 -0.320275000330E+03 0.77016E-04 -0.41592E-05 3139 0.201E-02 0.304E-02 RMM: 9 -0.320275000060E+03 0.26983E-06 -0.11082E-05 2482 0.940E-03 8155 T= 6139. E= 0.68588227E+03 F= 0.63509518E+03 E0= 0.66408871E+03 EK= 0.50787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321357463196E+03 -0.10825E+01 -0.20038E-01 8832 0.225E+01 0.239E-01 RMM: 2 -0.321375207173E+03 -0.17744E-01 -0.15082E-01 5276 0.821E-01 0.814E-01 RMM: 3 -0.321369590794E+03 0.56164E-02 -0.12624E-02 5931 0.216E-01 0.175E-01 RMM: 4 -0.321369484430E+03 0.10636E-03 -0.94771E-04 4734 0.711E-02 0.221E-01 RMM: 5 -0.321369191437E+03 0.29299E-03 -0.29142E-04 3996 0.456E-02 0.113E-01 RMM: 6 -0.321369164103E+03 0.27334E-04 -0.13549E-04 3880 0.316E-02 0.963E-02 RMM: 7 -0.321369187238E+03 -0.23136E-04 -0.80217E-05 3624 0.247E-02 0.113E-01 RMM: 8 -0.321369103472E+03 0.83767E-04 -0.44180E-05 3166 0.206E-02 0.265E-02 RMM: 9 -0.321369105467E+03 -0.19955E-05 -0.11516E-05 2484 0.970E-03 8156 T= 5863. E= 0.68269546E+03 F= 0.63419091E+03 E0= 0.66321100E+03 EK= 0.48505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322749197660E+03 -0.13801E+01 -0.17737E-01 8904 0.221E+01 0.241E-01 RMM: 2 -0.322763690782E+03 -0.14493E-01 -0.11370E-01 5329 0.713E-01 0.843E-01 RMM: 3 -0.322757896162E+03 0.57946E-02 -0.90897E-03 5831 0.188E-01 0.184E-01 RMM: 4 -0.322757903573E+03 -0.74111E-05 -0.99322E-04 4662 0.760E-02 0.241E-01 RMM: 5 -0.322757537748E+03 0.36582E-03 -0.32525E-04 4005 0.477E-02 0.106E-01 RMM: 6 -0.322757509522E+03 0.28227E-04 -0.11101E-04 3855 0.286E-02 0.882E-02 RMM: 7 -0.322757521112E+03 -0.11590E-04 -0.68615E-05 3515 0.231E-02 8157 T= 5797. E= 0.68095737E+03 F= 0.63300014E+03 E0= 0.66204708E+03 EK= 0.47957E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324373857334E+03 -0.16163E+01 -0.17183E-01 8676 0.222E+01 0.282E-01 RMM: 2 -0.324387664817E+03 -0.13807E-01 -0.10519E-01 5244 0.706E-01 0.902E-01 RMM: 3 -0.324381610933E+03 0.60539E-02 -0.96237E-03 5704 0.199E-01 0.221E-01 RMM: 4 -0.324381715038E+03 -0.10411E-03 -0.12198E-03 4705 0.825E-02 0.288E-01 RMM: 5 -0.324381200060E+03 0.51498E-03 -0.34008E-04 3906 0.455E-02 0.126E-01 RMM: 6 -0.324381134559E+03 0.65501E-04 -0.12179E-04 3872 0.301E-02 0.844E-02 RMM: 7 -0.324381149792E+03 -0.15233E-04 -0.83153E-05 3706 0.246E-02 8158 T= 5944. E= 0.68075491E+03 F= 0.63157909E+03 E0= 0.66065237E+03 EK= 0.49176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326129388058E+03 -0.17483E+01 -0.16645E-01 8844 0.227E+01 0.278E-01 RMM: 2 -0.326142046127E+03 -0.12658E-01 -0.93995E-02 5213 0.689E-01 0.910E-01 RMM: 3 -0.326136233659E+03 0.58125E-02 -0.90318E-03 5773 0.191E-01 0.226E-01 RMM: 4 -0.326136264184E+03 -0.30525E-04 -0.12397E-03 4684 0.846E-02 0.273E-01 RMM: 5 -0.326135820355E+03 0.44383E-03 -0.34466E-04 3936 0.469E-02 0.127E-01 RMM: 6 -0.326135724535E+03 0.95820E-04 -0.92789E-05 3646 0.273E-02 0.573E-02 RMM: 7 -0.326135772050E+03 -0.47515E-04 -0.68544E-05 3478 0.223E-02 0.104E-01 RMM: 8 -0.326135704206E+03 0.67843E-04 -0.37817E-05 3037 0.196E-02 0.296E-02 RMM: 9 -0.326135704121E+03 0.85296E-07 -0.12447E-05 2486 0.102E-02 8159 T= 6253. E= 0.68175565E+03 F= 0.63002914E+03 E0= 0.65912842E+03 EK= 0.51727E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327862167660E+03 -0.17265E+01 -0.17965E-01 8244 0.234E+01 0.299E-01 RMM: 2 -0.327877098326E+03 -0.14931E-01 -0.11157E-01 5106 0.761E-01 0.983E-01 RMM: 3 -0.327870401439E+03 0.66969E-02 -0.11670E-02 5706 0.215E-01 0.189E-01 RMM: 4 -0.327870781339E+03 -0.37990E-03 -0.13554E-03 4744 0.871E-02 0.344E-01 RMM: 5 -0.327870018193E+03 0.76315E-03 -0.40928E-04 4123 0.510E-02 0.112E-01 RMM: 6 -0.327869946920E+03 0.71274E-04 -0.99517E-05 3683 0.266E-02 0.589E-02 RMM: 7 -0.327869972456E+03 -0.25536E-04 -0.54760E-05 3312 0.202E-02 0.906E-02 RMM: 8 -0.327869916593E+03 0.55863E-04 -0.36373E-05 2975 0.191E-02 0.236E-02 RMM: 9 -0.327869921170E+03 -0.45770E-05 -0.12634E-05 2488 0.101E-02 8160 T= 6614. E= 0.68321154E+03 F= 0.62849980E+03 E0= 0.65762312E+03 EK= 0.54712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329402440089E+03 -0.15325E+01 -0.17954E-01 8448 0.240E+01 0.303E-01 RMM: 2 -0.329414251462E+03 -0.11811E-01 -0.97508E-02 5253 0.717E-01 0.848E-01 RMM: 3 -0.329409429341E+03 0.48221E-02 -0.95811E-03 5749 0.194E-01 0.237E-01 RMM: 4 -0.329409661582E+03 -0.23224E-03 -0.13951E-03 4704 0.902E-02 0.338E-01 RMM: 5 -0.329408910773E+03 0.75081E-03 -0.45350E-04 4088 0.543E-02 0.110E-01 RMM: 6 -0.329408844326E+03 0.66447E-04 -0.86460E-05 3599 0.252E-02 0.620E-02 RMM: 7 -0.329408876922E+03 -0.32596E-04 -0.72698E-05 3623 0.229E-02 0.100E-01 RMM: 8 -0.329408814085E+03 0.62838E-04 -0.35866E-05 3031 0.185E-02 0.292E-02 RMM: 9 -0.329408818560E+03 -0.44757E-05 -0.14933E-05 2501 0.110E-02 8161 T= 6880. E= 0.68408280E+03 F= 0.62716612E+03 E0= 0.65631038E+03 EK= 0.56917E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330584179342E+03 -0.11754E+01 -0.18279E-01 8208 0.244E+01 0.310E-01 RMM: 2 -0.330597597735E+03 -0.13418E-01 -0.98852E-02 5181 0.733E-01 0.983E-01 RMM: 3 -0.330591142810E+03 0.64549E-02 -0.10212E-02 5663 0.207E-01 0.211E-01 RMM: 4 -0.330591512391E+03 -0.36958E-03 -0.14095E-03 4710 0.900E-02 0.344E-01 RMM: 5 -0.330590766626E+03 0.74576E-03 -0.41079E-04 4025 0.506E-02 0.130E-01 RMM: 6 -0.330590671226E+03 0.95401E-04 -0.10616E-04 3737 0.280E-02 0.613E-02 RMM: 7 -0.330590712331E+03 -0.41105E-04 -0.71261E-05 3526 0.223E-02 0.103E-01 RMM: 8 -0.330590643152E+03 0.69179E-04 -0.43777E-05 3148 0.204E-02 0.275E-02 RMM: 9 -0.330590645867E+03 -0.27150E-05 -0.13574E-05 2497 0.106E-02 8162 T= 6927. E= 0.68349356E+03 F= 0.62619167E+03 E0= 0.65535183E+03 EK= 0.57302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331308350932E+03 -0.71771E+00 -0.17790E-01 8052 0.244E+01 0.280E-01 RMM: 2 -0.331319493470E+03 -0.11143E-01 -0.88970E-02 5174 0.687E-01 0.833E-01 RMM: 3 -0.331314725098E+03 0.47684E-02 -0.88595E-03 5767 0.184E-01 0.200E-01 RMM: 4 -0.331314992741E+03 -0.26764E-03 -0.12193E-03 4697 0.858E-02 0.319E-01 RMM: 5 -0.331314341909E+03 0.65083E-03 -0.41535E-04 4118 0.526E-02 0.116E-01 RMM: 6 -0.331314272890E+03 0.69019E-04 -0.97127E-05 3680 0.268E-02 0.674E-02 RMM: 7 -0.331314318728E+03 -0.45838E-04 -0.75643E-05 3638 0.234E-02 0.110E-01 RMM: 8 -0.331314240555E+03 0.78173E-04 -0.38202E-05 3081 0.194E-02 0.248E-02 RMM: 9 -0.331314242674E+03 -0.21187E-05 -0.10600E-05 2481 0.908E-03 8163 T= 6724. E= 0.68130859E+03 F= 0.62568040E+03 E0= 0.65485149E+03 EK= 0.55628E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331561221800E+03 -0.24698E+00 -0.17388E-01 7920 0.240E+01 0.267E-01 RMM: 2 -0.331573436994E+03 -0.12215E-01 -0.99795E-02 5018 0.725E-01 0.817E-01 RMM: 3 -0.331568746842E+03 0.46902E-02 -0.10502E-02 5839 0.196E-01 0.188E-01 RMM: 4 -0.331568885659E+03 -0.13882E-03 -0.11172E-03 4731 0.826E-02 0.291E-01 RMM: 5 -0.331568387809E+03 0.49785E-03 -0.37765E-04 4148 0.507E-02 0.137E-01 RMM: 6 -0.331568296316E+03 0.91493E-04 -0.14153E-04 3878 0.323E-02 0.777E-02 RMM: 7 -0.331568349472E+03 -0.53156E-04 -0.77997E-05 3590 0.243E-02 0.119E-01 RMM: 8 -0.331568256643E+03 0.92829E-04 -0.41800E-05 3156 0.203E-02 0.255E-02 RMM: 9 -0.331568258009E+03 -0.13661E-05 -0.99458E-06 2477 0.876E-03 8164 T= 6360. E= 0.67826378E+03 F= 0.62564619E+03 E0= 0.65482325E+03 EK= 0.52618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331416760935E+03 0.15150E+00 -0.16079E-01 7716 0.235E+01 0.264E-01 RMM: 2 -0.331429620446E+03 -0.12860E-01 -0.89034E-02 5104 0.686E-01 0.937E-01 RMM: 3 -0.331423383488E+03 0.62370E-02 -0.91923E-03 5657 0.193E-01 0.207E-01 RMM: 4 -0.331423349022E+03 0.34466E-04 -0.10927E-03 4704 0.796E-02 0.241E-01 RMM: 5 -0.331423068288E+03 0.28073E-03 -0.42276E-04 4464 0.557E-02 0.161E-01 RMM: 6 -0.331422933644E+03 0.13464E-03 -0.16563E-04 3885 0.337E-02 0.822E-02 RMM: 7 -0.331422996516E+03 -0.62872E-04 -0.99067E-05 3735 0.276E-02 0.128E-01 RMM: 8 -0.331422892078E+03 0.10444E-03 -0.49863E-05 3279 0.217E-02 0.301E-02 RMM: 9 -0.331422892994E+03 -0.91663E-06 -0.10459E-05 2494 0.907E-03 8165 T= 5980. E= 0.67549107E+03 F= 0.62601991E+03 E0= 0.65519990E+03 EK= 0.49471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330992931514E+03 0.42996E+00 -0.15224E-01 7812 0.230E+01 0.269E-01 RMM: 2 -0.331005126069E+03 -0.12195E-01 -0.92004E-02 5075 0.706E-01 0.872E-01 RMM: 3 -0.330999898621E+03 0.52274E-02 -0.99783E-03 5732 0.199E-01 0.215E-01 RMM: 4 -0.330999765490E+03 0.13313E-03 -0.10014E-03 4690 0.746E-02 0.226E-01 RMM: 5 -0.330999536669E+03 0.22882E-03 -0.44150E-04 4527 0.573E-02 0.166E-01 RMM: 6 -0.330999403815E+03 0.13285E-03 -0.20963E-04 3886 0.383E-02 0.915E-02 RMM: 7 -0.330999467351E+03 -0.63535E-04 -0.97971E-05 3735 0.282E-02 0.134E-01 RMM: 8 -0.330999353214E+03 0.11414E-03 -0.51176E-05 3310 0.216E-02 0.349E-02 RMM: 9 -0.330999352606E+03 0.60734E-06 -0.13179E-05 2502 0.104E-02 8166 T= 5714. E= 0.67394648E+03 F= 0.62667918E+03 E0= 0.65586001E+03 EK= 0.47267E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330430560635E+03 0.56879E+00 -0.14758E-01 7620 0.228E+01 0.304E-01 RMM: 2 -0.330448862096E+03 -0.18301E-01 -0.93293E-02 5054 0.725E-01 0.127E+00 RMM: 3 -0.330437514626E+03 0.11347E-01 -0.11024E-02 5464 0.228E-01 0.278E-01 RMM: 4 -0.330437131212E+03 0.38341E-03 -0.13985E-03 4780 0.853E-02 0.193E-01 RMM: 5 -0.330437106129E+03 0.25082E-04 -0.48783E-04 4547 0.592E-02 0.209E-01 RMM: 6 -0.330436845268E+03 0.26086E-03 -0.20878E-04 3886 0.383E-02 0.793E-02 RMM: 7 -0.330436921166E+03 -0.75898E-04 -0.13374E-04 3872 0.314E-02 0.132E-01 RMM: 8 -0.330436813005E+03 0.10816E-03 -0.63274E-05 3421 0.243E-02 0.422E-02 RMM: 9 -0.330436806219E+03 0.67853E-05 -0.11840E-05 2509 0.101E-02 8167 T= 5644. E= 0.67417162E+03 F= 0.62748149E+03 E0= 0.65666270E+03 EK= 0.46690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329862565300E+03 0.57425E+00 -0.14666E-01 7740 0.230E+01 0.304E-01 RMM: 2 -0.329876639435E+03 -0.14074E-01 -0.87087E-02 4969 0.712E-01 0.107E+00 RMM: 3 -0.329868914082E+03 0.77254E-02 -0.10565E-02 5462 0.226E-01 0.250E-01 RMM: 4 -0.329868764524E+03 0.14956E-03 -0.13015E-03 4739 0.824E-02 0.228E-01 RMM: 5 -0.329868621683E+03 0.14284E-03 -0.43503E-04 4468 0.541E-02 0.202E-01 RMM: 6 -0.329868372666E+03 0.24902E-03 -0.21792E-04 3887 0.397E-02 0.716E-02 RMM: 7 -0.329868448971E+03 -0.76305E-04 -0.99129E-05 3708 0.273E-02 0.129E-01 RMM: 8 -0.329868350348E+03 0.98623E-04 -0.50105E-05 3270 0.220E-02 0.464E-02 RMM: 9 -0.329868340035E+03 0.10313E-04 -0.14202E-05 2516 0.112E-02 8168 T= 5805. E= 0.67631111E+03 F= 0.62828918E+03 E0= 0.65747037E+03 EK= 0.48022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329398066641E+03 0.47028E+00 -0.15179E-01 7836 0.235E+01 0.316E-01 RMM: 2 -0.329416516176E+03 -0.18450E-01 -0.83208E-02 5013 0.701E-01 0.134E+00 RMM: 3 -0.329404025499E+03 0.12491E-01 -0.10423E-02 5396 0.231E-01 0.270E-01 RMM: 4 -0.329403860548E+03 0.16495E-03 -0.15906E-03 4858 0.923E-02 0.238E-01 RMM: 5 -0.329403740345E+03 0.12020E-03 -0.40588E-04 4314 0.513E-02 0.216E-01 RMM: 6 -0.329403435522E+03 0.30482E-03 -0.17260E-04 3886 0.356E-02 0.606E-02 RMM: 7 -0.329403481089E+03 -0.45567E-04 -0.10022E-04 3749 0.268E-02 0.103E-01 RMM: 8 -0.329403421965E+03 0.59124E-04 -0.43853E-05 3182 0.207E-02 0.466E-02 RMM: 9 -0.329403410188E+03 0.11777E-04 -0.11664E-05 2500 0.102E-02 8169 T= 6180. E= 0.68011487E+03 F= 0.62898853E+03 E0= 0.65816985E+03 EK= 0.51126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329111128249E+03 0.29229E+00 -0.16658E-01 7980 0.243E+01 0.306E-01 RMM: 2 -0.329124389348E+03 -0.13261E-01 -0.89248E-02 5074 0.726E-01 0.101E+00 RMM: 3 -0.329117484764E+03 0.69046E-02 -0.10182E-02 5490 0.220E-01 0.226E-01 RMM: 4 -0.329117738351E+03 -0.25359E-03 -0.13720E-03 4804 0.875E-02 0.307E-01 RMM: 5 -0.329117210428E+03 0.52792E-03 -0.34800E-04 3971 0.464E-02 0.166E-01 RMM: 6 -0.329117039932E+03 0.17050E-03 -0.14230E-04 3867 0.337E-02 0.600E-02 RMM: 7 -0.329117088989E+03 -0.49057E-04 -0.71543E-05 3496 0.225E-02 0.107E-01 RMM: 8 -0.329117022676E+03 0.66313E-04 -0.43069E-05 3107 0.205E-02 0.439E-02 RMM: 9 -0.329117012380E+03 0.10295E-04 -0.14853E-05 2505 0.115E-02 8170 T= 6684. E= 0.68479481E+03 F= 0.62950217E+03 E0= 0.65868324E+03 EK= 0.55293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329032235587E+03 0.84787E-01 -0.18396E-01 8196 0.251E+01 0.294E-01 RMM: 2 -0.329045466465E+03 -0.13231E-01 -0.93654E-02 5097 0.740E-01 0.955E-01 RMM: 3 -0.329039138522E+03 0.63279E-02 -0.98102E-03 5539 0.209E-01 0.212E-01 RMM: 4 -0.329039527416E+03 -0.38889E-03 -0.14232E-03 4816 0.917E-02 0.339E-01 RMM: 5 -0.329038835687E+03 0.69173E-03 -0.41188E-04 4218 0.526E-02 0.139E-01 RMM: 6 -0.329038713958E+03 0.12173E-03 -0.95115E-05 3663 0.265E-02 0.537E-02 RMM: 7 -0.329038760126E+03 -0.46167E-04 -0.72819E-05 3536 0.229E-02 0.103E-01 RMM: 8 -0.329038693409E+03 0.66717E-04 -0.41561E-05 3095 0.199E-02 0.292E-02 RMM: 9 -0.329038692627E+03 0.78164E-06 -0.11018E-05 2478 0.941E-03 8171 T= 7147. E= 0.68892313E+03 F= 0.62980099E+03 E0= 0.65898128E+03 EK= 0.59122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329145147730E+03 -0.10645E+00 -0.19111E-01 8112 0.255E+01 0.304E-01 RMM: 2 -0.329158029075E+03 -0.12881E-01 -0.10071E-01 5086 0.763E-01 0.892E-01 RMM: 3 -0.329152580512E+03 0.54486E-02 -0.11103E-02 5555 0.227E-01 0.238E-01 RMM: 4 -0.329152809036E+03 -0.22852E-03 -0.14426E-03 4847 0.907E-02 0.315E-01 RMM: 5 -0.329152243290E+03 0.56575E-03 -0.38392E-04 4050 0.496E-02 0.165E-01 RMM: 6 -0.329152070926E+03 0.17236E-03 -0.14013E-04 3870 0.334E-02 0.573E-02 RMM: 7 -0.329152116566E+03 -0.45640E-04 -0.65400E-05 3427 0.220E-02 0.104E-01 RMM: 8 -0.329152056801E+03 0.59765E-04 -0.43090E-05 3080 0.200E-02 0.490E-02 RMM: 9 -0.329152043733E+03 0.13068E-04 -0.18111E-05 2518 0.127E-02 8172 T= 7364. E= 0.69082588E+03 F= 0.62990460E+03 E0= 0.65908229E+03 EK= 0.60921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329403717867E+03 -0.25166E+00 -0.19077E-01 8160 0.253E+01 0.315E-01 RMM: 2 -0.329419572305E+03 -0.15854E-01 -0.10400E-01 5039 0.769E-01 0.108E+00 RMM: 3 -0.329411539546E+03 0.80328E-02 -0.11839E-02 5452 0.243E-01 0.304E-01 RMM: 4 -0.329411260072E+03 0.27947E-03 -0.16271E-03 4964 0.944E-02 0.249E-01 RMM: 5 -0.329411041392E+03 0.21868E-03 -0.45611E-04 4408 0.546E-02 0.195E-01 RMM: 6 -0.329410798321E+03 0.24307E-03 -0.18360E-04 3894 0.373E-02 0.659E-02 RMM: 7 -0.329410850465E+03 -0.52145E-04 -0.79814E-05 3583 0.240E-02 0.111E-01 RMM: 8 -0.329410786764E+03 0.63702E-04 -0.43901E-05 3146 0.200E-02 0.557E-02 RMM: 9 -0.329410769396E+03 0.17368E-04 -0.15817E-05 2515 0.120E-02 8173 T= 7221. E= 0.68960090E+03 F= 0.62986436E+03 E0= 0.65903690E+03 EK= 0.59737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329763482466E+03 -0.35270E+00 -0.18844E-01 8172 0.245E+01 0.301E-01 RMM: 2 -0.329780791907E+03 -0.17309E-01 -0.11337E-01 4891 0.809E-01 0.111E+00 RMM: 3 -0.329772216065E+03 0.85758E-02 -0.13215E-02 5565 0.251E-01 0.274E-01 RMM: 4 -0.329771966680E+03 0.24938E-03 -0.14822E-03 5038 0.911E-02 0.234E-01 RMM: 5 -0.329771865629E+03 0.10105E-03 -0.47266E-04 4480 0.555E-02 0.221E-01 RMM: 6 -0.329771568706E+03 0.29692E-03 -0.22576E-04 3894 0.405E-02 0.745E-02 RMM: 7 -0.329771639152E+03 -0.70446E-04 -0.11490E-04 3840 0.287E-02 0.126E-01 RMM: 8 -0.329771546879E+03 0.92273E-04 -0.57503E-05 3387 0.231E-02 0.490E-02 RMM: 9 -0.329771535388E+03 0.11492E-04 -0.15865E-05 2519 0.120E-02 8174 T= 6784. E= 0.68585319E+03 F= 0.62972899E+03 E0= 0.65889216E+03 EK= 0.56124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330207278186E+03 -0.43573E+00 -0.18218E-01 8028 0.234E+01 0.306E-01 RMM: 2 -0.330225505555E+03 -0.18227E-01 -0.11545E-01 4974 0.815E-01 0.116E+00 RMM: 3 -0.330216166132E+03 0.93394E-02 -0.13172E-02 5582 0.250E-01 0.287E-01 RMM: 4 -0.330215679097E+03 0.48703E-03 -0.13980E-03 4936 0.862E-02 0.188E-01 RMM: 5 -0.330215643262E+03 0.35835E-04 -0.55405E-04 4606 0.638E-02 0.200E-01 RMM: 6 -0.330215415594E+03 0.22767E-03 -0.23674E-04 3890 0.411E-02 0.884E-02 RMM: 7 -0.330215502496E+03 -0.86902E-04 -0.13107E-04 3842 0.313E-02 0.143E-01 RMM: 8 -0.330215382410E+03 0.12009E-03 -0.64659E-05 3468 0.242E-02 0.506E-02 RMM: 9 -0.330215370570E+03 0.11840E-04 -0.14852E-05 2512 0.115E-02 8175 T= 6250. E= 0.68122624E+03 F= 0.62952148E+03 E0= 0.65867042E+03 EK= 0.51705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330733762715E+03 -0.51838E+00 -0.16614E-01 8052 0.223E+01 0.314E-01 RMM: 2 -0.330754551310E+03 -0.20789E-01 -0.11017E-01 5064 0.789E-01 0.134E+00 RMM: 3 -0.330741897857E+03 0.12653E-01 -0.12261E-02 5502 0.245E-01 0.282E-01 RMM: 4 -0.330741531827E+03 0.36603E-03 -0.14693E-03 4883 0.886E-02 0.210E-01 RMM: 5 -0.330741508225E+03 0.23603E-04 -0.62274E-04 4608 0.676E-02 0.227E-01 RMM: 6 -0.330741214118E+03 0.29411E-03 -0.28133E-04 3908 0.443E-02 0.925E-02 RMM: 7 -0.330741310113E+03 -0.95995E-04 -0.16100E-04 3878 0.350E-02 0.149E-01 RMM: 8 -0.330741173843E+03 0.13627E-03 -0.79661E-05 3614 0.269E-02 0.499E-02 RMM: 9 -0.330741164148E+03 0.96958E-05 -0.16216E-05 2542 0.120E-02 8176 T= 5811. E= 0.67731851E+03 F= 0.62924421E+03 E0= 0.65837320E+03 EK= 0.48074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331343961417E+03 -0.60279E+00 -0.15131E-01 8436 0.215E+01 0.310E-01 RMM: 2 -0.331362729252E+03 -0.18768E-01 -0.94201E-02 5229 0.710E-01 0.132E+00 RMM: 3 -0.331350595430E+03 0.12134E-01 -0.10106E-02 5485 0.223E-01 0.265E-01 RMM: 4 -0.331350382625E+03 0.21280E-03 -0.14302E-03 4773 0.880E-02 0.226E-01 RMM: 5 -0.331350253532E+03 0.12909E-03 -0.57366E-04 4608 0.645E-02 0.208E-01 RMM: 6 -0.331350006894E+03 0.24664E-03 -0.24466E-04 3888 0.413E-02 0.876E-02 RMM: 7 -0.331350092856E+03 -0.85962E-04 -0.12913E-04 3861 0.315E-02 0.142E-01 RMM: 8 -0.331349968528E+03 0.12433E-03 -0.62566E-05 3454 0.239E-02 0.418E-02 RMM: 9 -0.331349963633E+03 0.48945E-05 -0.13082E-05 2506 0.107E-02 8177 T= 5585. E= 0.67509656E+03 F= 0.62889416E+03 E0= 0.65799760E+03 EK= 0.46202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332022986168E+03 -0.67302E+00 -0.14403E-01 8292 0.211E+01 0.317E-01 RMM: 2 -0.332041116975E+03 -0.18131E-01 -0.91343E-02 5210 0.695E-01 0.131E+00 RMM: 3 -0.332029210231E+03 0.11907E-01 -0.99181E-03 5492 0.218E-01 0.251E-01 RMM: 4 -0.332029185687E+03 0.24544E-04 -0.15175E-03 4767 0.913E-02 0.269E-01 RMM: 5 -0.332028953825E+03 0.23186E-03 -0.52885E-04 4571 0.605E-02 0.214E-01 RMM: 6 -0.332028666988E+03 0.28684E-03 -0.21958E-04 3891 0.384E-02 0.738E-02 RMM: 7 -0.332028747341E+03 -0.80353E-04 -0.12415E-04 3863 0.304E-02 0.131E-01 RMM: 8 -0.332028640799E+03 0.10654E-03 -0.57577E-05 3392 0.231E-02 0.384E-02 RMM: 9 -0.332028636439E+03 0.43608E-05 -0.12801E-05 2501 0.105E-02 8178 T= 5615. E= 0.67492916E+03 F= 0.62847982E+03 E0= 0.65755151E+03 EK= 0.46449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332739662919E+03 -0.71102E+00 -0.14642E-01 8196 0.213E+01 0.314E-01 RMM: 2 -0.332755934843E+03 -0.16272E-01 -0.93941E-02 5189 0.696E-01 0.119E+00 RMM: 3 -0.332746217476E+03 0.97174E-02 -0.10225E-02 5558 0.213E-01 0.235E-01 RMM: 4 -0.332746385383E+03 -0.16791E-03 -0.15715E-03 4789 0.941E-02 0.300E-01 RMM: 5 -0.332745870991E+03 0.51439E-03 -0.47265E-04 4368 0.553E-02 0.166E-01 RMM: 6 -0.332745711984E+03 0.15901E-03 -0.15788E-04 3878 0.331E-02 0.694E-02 RMM: 7 -0.332745778635E+03 -0.66652E-04 -0.89367E-05 3657 0.252E-02 0.121E-01 RMM: 8 -0.332745686907E+03 0.91729E-04 -0.47216E-05 3223 0.216E-02 0.345E-02 RMM: 9 -0.332745683914E+03 0.29924E-05 -0.11331E-05 2486 0.972E-03 8179 T= 5890. E= 0.67675222E+03 F= 0.62802707E+03 E0= 0.65706089E+03 EK= 0.48725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333442050216E+03 -0.69636E+00 -0.15720E-01 8496 0.218E+01 0.321E-01 RMM: 2 -0.333457701241E+03 -0.15651E-01 -0.95052E-02 5269 0.692E-01 0.114E+00 RMM: 3 -0.333448555893E+03 0.91453E-02 -0.98076E-03 5571 0.207E-01 0.236E-01 RMM: 4 -0.333448905814E+03 -0.34992E-03 -0.16748E-03 4762 0.981E-02 0.346E-01 RMM: 5 -0.333448246289E+03 0.65953E-03 -0.47834E-04 4265 0.545E-02 0.174E-01 RMM: 6 -0.333448054338E+03 0.19195E-03 -0.16353E-04 3884 0.338E-02 0.645E-02 RMM: 7 -0.333448121518E+03 -0.67180E-04 -0.91414E-05 3688 0.253E-02 0.120E-01 RMM: 8 -0.333448030930E+03 0.90588E-04 -0.48033E-05 3219 0.214E-02 0.326E-02 RMM: 9 -0.333448028168E+03 0.27614E-05 -0.12398E-05 2488 0.102E-02 8180 T= 6343. E= 0.68006130E+03 F= 0.62758440E+03 E0= 0.65657426E+03 EK= 0.52477E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334067976886E+03 -0.61995E+00 -0.17329E-01 8688 0.227E+01 0.313E-01 RMM: 2 -0.334081287038E+03 -0.13310E-01 -0.94727E-02 5364 0.682E-01 0.990E-01 RMM: 3 -0.334074504533E+03 0.67825E-02 -0.90563E-03 5593 0.196E-01 0.233E-01 RMM: 4 -0.334075010135E+03 -0.50560E-03 -0.15826E-03 4683 0.967E-02 0.366E-01 RMM: 5 -0.334074129428E+03 0.88071E-03 -0.48669E-04 4073 0.551E-02 0.132E-01 RMM: 6 -0.334074032008E+03 0.97421E-04 -0.11707E-04 3806 0.287E-02 0.645E-02 RMM: 7 -0.334074079634E+03 -0.47627E-04 -0.79341E-05 3629 0.230E-02 0.108E-01 RMM: 8 -0.334074004866E+03 0.74768E-04 -0.46148E-05 3181 0.212E-02 0.303E-02 RMM: 9 -0.334074004401E+03 0.46500E-06 -0.12366E-05 2491 0.101E-02 8181 T= 6837. E= 0.68377265E+03 F= 0.62721159E+03 E0= 0.65615291E+03 EK= 0.56561E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334566469580E+03 -0.49246E+00 -0.19254E-01 8676 0.234E+01 0.328E-01 RMM: 2 -0.334582235729E+03 -0.15766E-01 -0.10699E-01 5311 0.729E-01 0.109E+00 RMM: 3 -0.334573915441E+03 0.83203E-02 -0.10420E-02 5647 0.209E-01 0.240E-01 RMM: 4 -0.334574316412E+03 -0.40097E-03 -0.17269E-03 4756 0.992E-02 0.367E-01 RMM: 5 -0.334573516599E+03 0.79981E-03 -0.50092E-04 4345 0.560E-02 0.154E-01 RMM: 6 -0.334573369081E+03 0.14752E-03 -0.14497E-04 3874 0.314E-02 0.632E-02 RMM: 7 -0.334573431866E+03 -0.62785E-04 -0.82017E-05 3620 0.237E-02 0.118E-01 RMM: 8 -0.334573342591E+03 0.89275E-04 -0.46608E-05 3186 0.208E-02 0.296E-02 RMM: 9 -0.334573341933E+03 0.65819E-06 -0.13032E-05 2495 0.103E-02 8182 T= 7178. E= 0.68634442E+03 F= 0.62696032E+03 E0= 0.65585111E+03 EK= 0.59384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334936277190E+03 -0.36293E+00 -0.19664E-01 8460 0.238E+01 0.320E-01 RMM: 2 -0.334953419140E+03 -0.17142E-01 -0.10961E-01 5348 0.717E-01 0.114E+00 RMM: 3 -0.334943832935E+03 0.95862E-02 -0.98789E-03 5503 0.211E-01 0.230E-01 RMM: 4 -0.334944253237E+03 -0.42030E-03 -0.16850E-03 4787 0.967E-02 0.352E-01 RMM: 5 -0.334943483470E+03 0.76977E-03 -0.49648E-04 4328 0.569E-02 0.146E-01 RMM: 6 -0.334943358517E+03 0.12495E-03 -0.13148E-04 3860 0.298E-02 0.643E-02 RMM: 7 -0.334943423178E+03 -0.64661E-04 -0.89279E-05 3702 0.245E-02 0.120E-01 RMM: 8 -0.334943332069E+03 0.91108E-04 -0.49822E-05 3249 0.217E-02 0.301E-02 RMM: 9 -0.334943331554E+03 0.51555E-06 -0.11731E-05 2495 0.977E-03 8183 T= 7211. E= 0.68649259E+03 F= 0.62683738E+03 E0= 0.65568019E+03 EK= 0.59655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335246439921E+03 -0.30311E+00 -0.19508E-01 8628 0.237E+01 0.320E-01 RMM: 2 -0.335264592547E+03 -0.18153E-01 -0.11251E-01 5315 0.720E-01 0.117E+00 RMM: 3 -0.335254224188E+03 0.10368E-01 -0.10257E-02 5543 0.218E-01 0.254E-01 RMM: 4 -0.335254357638E+03 -0.13345E-03 -0.15819E-03 4795 0.915E-02 0.314E-01 RMM: 5 -0.335253810414E+03 0.54722E-03 -0.47558E-04 4482 0.562E-02 0.161E-01 RMM: 6 -0.335253666756E+03 0.14366E-03 -0.18340E-04 3888 0.358E-02 0.777E-02 RMM: 7 -0.335253750931E+03 -0.84175E-04 -0.92624E-05 3707 0.256E-02 0.137E-01 RMM: 8 -0.335253629171E+03 0.12176E-03 -0.52385E-05 3294 0.219E-02 0.294E-02 RMM: 9 -0.335253629175E+03 -0.38090E-08 -0.12466E-05 2494 0.101E-02 8184 T= 6927. E= 0.68408705E+03 F= 0.62677839E+03 E0= 0.65558042E+03 EK= 0.57309E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335616793686E+03 -0.36316E+00 -0.19016E-01 8388 0.233E+01 0.308E-01 RMM: 2 -0.335636332914E+03 -0.19539E-01 -0.11691E-01 5255 0.738E-01 0.120E+00 RMM: 3 -0.335625181766E+03 0.11151E-01 -0.11165E-02 5455 0.231E-01 0.239E-01 RMM: 4 -0.335625254128E+03 -0.72362E-04 -0.15716E-03 4874 0.911E-02 0.288E-01 RMM: 5 -0.335624799009E+03 0.45512E-03 -0.52848E-04 4578 0.620E-02 0.163E-01 RMM: 6 -0.335624668117E+03 0.13089E-03 -0.18490E-04 3886 0.351E-02 0.913E-02 RMM: 7 -0.335624737988E+03 -0.69871E-04 -0.11427E-04 3848 0.291E-02 0.137E-01 RMM: 8 -0.335624615932E+03 0.12206E-03 -0.59454E-05 3404 0.230E-02 0.294E-02 RMM: 9 -0.335624619645E+03 -0.37127E-05 -0.12938E-05 2509 0.102E-02 8185 T= 6474. E= 0.68022515E+03 F= 0.62666761E+03 E0= 0.65543973E+03 EK= 0.53558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336175489056E+03 -0.55087E+00 -0.17551E-01 8544 0.228E+01 0.301E-01 RMM: 2 -0.336191437815E+03 -0.15949E-01 -0.10769E-01 5226 0.725E-01 0.105E+00 RMM: 3 -0.336183275989E+03 0.81618E-02 -0.10311E-02 5646 0.215E-01 0.233E-01 RMM: 4 -0.336183332050E+03 -0.56060E-04 -0.13329E-03 4792 0.864E-02 0.288E-01 RMM: 5 -0.336182863111E+03 0.46894E-03 -0.54420E-04 4576 0.626E-02 0.160E-01 RMM: 6 -0.336182769840E+03 0.93271E-04 -0.23966E-04 3887 0.405E-02 0.113E-01 RMM: 7 -0.336182829558E+03 -0.59718E-04 -0.11761E-04 3864 0.305E-02 0.146E-01 RMM: 8 -0.336182690172E+03 0.13939E-03 -0.63130E-05 3432 0.234E-02 0.338E-02 RMM: 9 -0.336182691195E+03 -0.10224E-05 -0.15543E-05 2512 0.113E-02 8186 T= 6045. E= 0.67639254E+03 F= 0.62638104E+03 E0= 0.65513581E+03 EK= 0.50012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337007796516E+03 -0.82511E+00 -0.16512E-01 8436 0.224E+01 0.296E-01 RMM: 2 -0.337022746550E+03 -0.14950E-01 -0.10168E-01 5194 0.713E-01 0.101E+00 RMM: 3 -0.337015227026E+03 0.75195E-02 -0.99328E-03 5566 0.205E-01 0.222E-01 RMM: 4 -0.337015472589E+03 -0.24556E-03 -0.14608E-03 4811 0.925E-02 0.327E-01 RMM: 5 -0.337014842011E+03 0.63058E-03 -0.58221E-04 4605 0.651E-02 0.151E-01 RMM: 6 -0.337014752687E+03 0.89325E-04 -0.19298E-04 3890 0.351E-02 0.106E-01 RMM: 7 -0.337014785369E+03 -0.32682E-04 -0.11710E-04 3850 0.302E-02 0.128E-01 RMM: 8 -0.337014679923E+03 0.10545E-03 -0.56485E-05 3373 0.223E-02 0.298E-02 RMM: 9 -0.337014684847E+03 -0.49244E-05 -0.13703E-05 2506 0.105E-02 8187 T= 5785. E= 0.67368495E+03 F= 0.62583112E+03 E0= 0.65458132E+03 EK= 0.47854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338144168172E+03 -0.11295E+01 -0.15816E-01 8280 0.224E+01 0.327E-01 RMM: 2 -0.338157842392E+03 -0.13674E-01 -0.92428E-02 5102 0.707E-01 0.105E+00 RMM: 3 -0.338150455411E+03 0.73870E-02 -0.10180E-02 5578 0.216E-01 0.228E-01 RMM: 4 -0.338150756251E+03 -0.30084E-03 -0.14913E-03 4760 0.922E-02 0.335E-01 RMM: 5 -0.338150027681E+03 0.72857E-03 -0.51515E-04 4510 0.588E-02 0.141E-01 RMM: 6 -0.338149958949E+03 0.68732E-04 -0.19136E-04 3888 0.358E-02 0.103E-01 RMM: 7 -0.338150010739E+03 -0.51790E-04 -0.95890E-05 3738 0.270E-02 0.135E-01 RMM: 8 -0.338149890736E+03 0.12000E-03 -0.51899E-05 3295 0.216E-02 0.305E-02 RMM: 9 -0.338149891695E+03 -0.95922E-06 -0.13225E-05 2501 0.103E-02 8188 T= 5757. E= 0.67260865E+03 F= 0.62498506E+03 E0= 0.65374309E+03 EK= 0.47624E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339552953630E+03 -0.14031E+01 -0.15986E-01 8256 0.228E+01 0.362E-01 RMM: 2 -0.339569431360E+03 -0.16478E-01 -0.88824E-02 5131 0.709E-01 0.127E+00 RMM: 3 -0.339558531065E+03 0.10900E-01 -0.10406E-02 5437 0.228E-01 0.284E-01 RMM: 4 -0.339558775408E+03 -0.24434E-03 -0.18883E-03 4825 0.102E-01 0.360E-01 RMM: 5 -0.339558015600E+03 0.75981E-03 -0.54802E-04 4518 0.604E-02 0.161E-01 RMM: 6 -0.339557867382E+03 0.14822E-03 -0.15598E-04 3888 0.323E-02 0.740E-02 RMM: 7 -0.339557947514E+03 -0.80132E-04 -0.10244E-04 3776 0.265E-02 0.134E-01 RMM: 8 -0.339557831111E+03 0.11640E-03 -0.55100E-05 3336 0.226E-02 0.306E-02 RMM: 9 -0.339557830189E+03 0.92264E-06 -0.11494E-05 2500 0.964E-03 8189 T= 5961. E= 0.67318233E+03 F= 0.62386842E+03 E0= 0.65264535E+03 EK= 0.49314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341151833224E+03 -0.15940E+01 -0.16395E-01 8220 0.235E+01 0.401E-01 RMM: 2 -0.341169000696E+03 -0.17167E-01 -0.84803E-02 5210 0.713E-01 0.139E+00 RMM: 3 -0.341156301653E+03 0.12699E-01 -0.10775E-02 5379 0.244E-01 0.260E-01 RMM: 4 -0.341156901745E+03 -0.60009E-03 -0.20215E-03 4854 0.105E-01 0.407E-01 RMM: 5 -0.341155847612E+03 0.10541E-02 -0.57866E-04 4487 0.612E-02 0.154E-01 RMM: 6 -0.341155714896E+03 0.13272E-03 -0.15661E-04 3884 0.324E-02 0.722E-02 RMM: 7 -0.341155783015E+03 -0.68118E-04 -0.86977E-05 3702 0.245E-02 0.126E-01 RMM: 8 -0.341155678251E+03 0.10476E-03 -0.49537E-05 3230 0.213E-02 0.333E-02 RMM: 9 -0.341155676009E+03 0.22427E-05 -0.13815E-05 2506 0.106E-02 8190 T= 6336. E= 0.67497619E+03 F= 0.62255968E+03 E0= 0.65136535E+03 EK= 0.52417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342814703367E+03 -0.16590E+01 -0.17005E-01 8160 0.244E+01 0.412E-01 RMM: 2 -0.342832375114E+03 -0.17672E-01 -0.86641E-02 5289 0.730E-01 0.142E+00 RMM: 3 -0.342819269186E+03 0.13106E-01 -0.10541E-02 5374 0.241E-01 0.301E-01 RMM: 4 -0.342819889782E+03 -0.62060E-03 -0.21986E-03 4848 0.110E-01 0.440E-01 RMM: 5 -0.342818665547E+03 0.12242E-02 -0.61635E-04 4484 0.637E-02 0.143E-01 RMM: 6 -0.342818545208E+03 0.12034E-03 -0.12905E-04 3862 0.291E-02 0.670E-02 RMM: 7 -0.342818604441E+03 -0.59233E-04 -0.87879E-05 3695 0.244E-02 0.121E-01 RMM: 8 -0.342818509490E+03 0.94951E-04 -0.51118E-05 3253 0.215E-02 0.321E-02 RMM: 9 -0.342818509729E+03 -0.23912E-06 -0.14246E-05 2510 0.109E-02 8191 T= 6755. E= 0.67706767E+03 F= 0.62118176E+03 E0= 0.65002409E+03 EK= 0.55886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344395366835E+03 -0.15769E+01 -0.17844E-01 8184 0.250E+01 0.428E-01 RMM: 2 -0.344414303220E+03 -0.18936E-01 -0.95288E-02 5247 0.774E-01 0.148E+00 RMM: 3 -0.344400477663E+03 0.13826E-01 -0.11633E-02 5374 0.252E-01 0.283E-01 RMM: 4 -0.344401269200E+03 -0.79154E-03 -0.23506E-03 5010 0.114E-01 0.458E-01 RMM: 5 -0.344399962426E+03 0.13068E-02 -0.67883E-04 4542 0.669E-02 0.169E-01 RMM: 6 -0.344399790752E+03 0.17167E-03 -0.16467E-04 3880 0.330E-02 0.679E-02 RMM: 7 -0.344399843692E+03 -0.52940E-04 -0.84720E-05 3676 0.242E-02 0.116E-01 RMM: 8 -0.344399753461E+03 0.90231E-04 -0.52683E-05 3287 0.214E-02 0.368E-02 RMM: 9 -0.344399751601E+03 0.18595E-05 -0.16719E-05 2524 0.118E-02 8192 T= 7048. E= 0.67818763E+03 F= 0.61988226E+03 E0= 0.64876608E+03 EK= 0.58305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345761681975E+03 -0.13619E+01 -0.18052E-01 8136 0.252E+01 0.394E-01 RMM: 2 -0.345777093727E+03 -0.15412E-01 -0.88703E-02 5251 0.742E-01 0.127E+00 RMM: 3 -0.345766675778E+03 0.10418E-01 -0.97976E-03 5382 0.225E-01 0.256E-01 RMM: 4 -0.345767666648E+03 -0.99087E-03 -0.21401E-03 4905 0.111E-01 0.477E-01 RMM: 5 -0.345766188422E+03 0.14782E-02 -0.72817E-04 4580 0.702E-02 0.124E-01 RMM: 6 -0.345766108126E+03 0.80296E-04 -0.12378E-04 3841 0.275E-02 0.734E-02 RMM: 7 -0.345766156068E+03 -0.47942E-04 -0.90274E-05 3727 0.247E-02 0.118E-01 RMM: 8 -0.345766066820E+03 0.89249E-04 -0.49459E-05 3242 0.212E-02 0.314E-02 RMM: 9 -0.345766069694E+03 -0.28741E-05 -0.14321E-05 2508 0.108E-02 8193 T= 7074. E= 0.67731633E+03 F= 0.61879823E+03 E0= 0.64772488E+03 EK= 0.58518E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346830250920E+03 -0.10642E+01 -0.17217E-01 8292 0.249E+01 0.365E-01 RMM: 2 -0.346841471297E+03 -0.11220E-01 -0.77337E-02 5232 0.685E-01 0.105E+00 RMM: 3 -0.346834642089E+03 0.68292E-02 -0.84012E-03 5418 0.203E-01 0.242E-01 RMM: 4 -0.346835508551E+03 -0.86646E-03 -0.17692E-03 4821 0.102E-01 0.447E-01 RMM: 5 -0.346834229010E+03 0.12795E-02 -0.64602E-04 4569 0.659E-02 0.147E-01 RMM: 6 -0.346834116096E+03 0.11291E-03 -0.16064E-04 3880 0.323E-02 0.788E-02 RMM: 7 -0.346834179219E+03 -0.63123E-04 -0.89076E-05 3742 0.252E-02 0.127E-01 RMM: 8 -0.346834070698E+03 0.10852E-03 -0.49535E-05 3264 0.211E-02 0.272E-02 RMM: 9 -0.346834075258E+03 -0.45602E-05 -0.14323E-05 2509 0.107E-02 8194 T= 6815. E= 0.67439928E+03 F= 0.61801794E+03 E0= 0.64698501E+03 EK= 0.56381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347578508217E+03 -0.74444E+00 -0.16231E-01 8208 0.242E+01 0.329E-01 RMM: 2 -0.347588430351E+03 -0.99221E-02 -0.66957E-02 5114 0.621E-01 0.944E-01 RMM: 3 -0.347582345035E+03 0.60853E-02 -0.70073E-03 5445 0.183E-01 0.212E-01 RMM: 4 -0.347583113605E+03 -0.76857E-03 -0.15870E-03 4829 0.999E-02 0.416E-01 RMM: 5 -0.347582010472E+03 0.11031E-02 -0.65188E-04 4603 0.679E-02 0.129E-01 RMM: 6 -0.347581947565E+03 0.62907E-04 -0.14367E-04 3872 0.302E-02 0.909E-02 RMM: 7 -0.347581968434E+03 -0.20868E-04 -0.79348E-05 3602 0.248E-02 0.108E-01 RMM: 8 -0.347581893425E+03 0.75008E-04 -0.39558E-05 3129 0.196E-02 0.266E-02 RMM: 9 -0.347581898401E+03 -0.49755E-05 -0.10774E-05 2487 0.904E-03 8195 T= 6389. E= 0.67042159E+03 F= 0.61756746E+03 E0= 0.64657013E+03 EK= 0.52854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348031934192E+03 -0.45004E+00 -0.15349E-01 8268 0.234E+01 0.308E-01 RMM: 2 -0.348039355376E+03 -0.74212E-02 -0.59825E-02 4985 0.584E-01 0.773E-01 RMM: 3 -0.348035482043E+03 0.38733E-02 -0.66176E-03 5466 0.178E-01 0.237E-01 RMM: 4 -0.348036089938E+03 -0.60790E-03 -0.13699E-03 4758 0.930E-02 0.397E-01 RMM: 5 -0.348035128228E+03 0.96171E-03 -0.61938E-04 4569 0.671E-02 0.156E-01 RMM: 6 -0.348035011066E+03 0.11716E-03 -0.20877E-04 3885 0.378E-02 0.905E-02 RMM: 7 -0.348035049965E+03 -0.38899E-04 -0.83745E-05 3681 0.273E-02 0.118E-01 RMM: 8 -0.348034957803E+03 0.92161E-04 -0.37733E-05 3117 0.190E-02 0.266E-02 RMM: 9 -0.348034963624E+03 -0.58207E-05 -0.13213E-05 2494 0.103E-02 8196 T= 5961. E= 0.66674053E+03 F= 0.61742312E+03 E0= 0.64645544E+03 EK= 0.49317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348228576823E+03 -0.19362E+00 -0.14501E-01 8088 0.227E+01 0.291E-01 RMM: 2 -0.348235300243E+03 -0.67234E-02 -0.55365E-02 4994 0.553E-01 0.703E-01 RMM: 3 -0.348231814524E+03 0.34857E-02 -0.57766E-03 5462 0.164E-01 0.215E-01 RMM: 4 -0.348232379778E+03 -0.56525E-03 -0.13863E-03 4792 0.955E-02 0.384E-01 RMM: 5 -0.348231427432E+03 0.95235E-03 -0.69162E-04 4597 0.722E-02 0.107E-01 RMM: 6 -0.348231448645E+03 -0.21213E-04 -0.16063E-04 3879 0.327E-02 0.124E-01 RMM: 7 -0.348231402805E+03 0.45841E-04 -0.80470E-05 3691 0.275E-02 0.945E-02 RMM: 8 -0.348231345717E+03 0.57087E-04 -0.31254E-05 2992 0.174E-02 0.258E-02 RMM: 9 -0.348231356204E+03 -0.10487E-04 -0.12209E-05 2490 0.100E-02 8197 T= 5666. E= 0.66441818E+03 F= 0.61754507E+03 E0= 0.64660090E+03 EK= 0.46873E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348187797016E+03 0.43549E-01 -0.14156E-01 7896 0.223E+01 0.294E-01 RMM: 2 -0.348193767593E+03 -0.59706E-02 -0.53555E-02 4989 0.546E-01 0.658E-01 RMM: 3 -0.348190923453E+03 0.28441E-02 -0.57824E-03 5495 0.164E-01 0.232E-01 RMM: 4 -0.348191466040E+03 -0.54259E-03 -0.12358E-03 4694 0.888E-02 0.388E-01 RMM: 5 -0.348190545481E+03 0.92056E-03 -0.65133E-04 4573 0.699E-02 0.140E-01 RMM: 6 -0.348190474987E+03 0.70493E-04 -0.18977E-04 3886 0.359E-02 0.101E-01 RMM: 7 -0.348190480988E+03 -0.60001E-05 -0.83934E-05 3730 0.283E-02 8198 T= 5574. E= 0.66402075E+03 F= 0.61790890E+03 E0= 0.64698310E+03 EK= 0.46112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347897741216E+03 0.29273E+00 -0.13838E-01 7860 0.223E+01 0.331E-01 RMM: 2 -0.347902847850E+03 -0.51066E-02 -0.49052E-02 5058 0.519E-01 0.639E-01 RMM: 3 -0.347900270836E+03 0.25770E-02 -0.53861E-03 5405 0.163E-01 0.284E-01 RMM: 4 -0.347901032690E+03 -0.76185E-03 -0.15040E-03 4745 0.980E-02 0.455E-01 RMM: 5 -0.347899654127E+03 0.13786E-02 -0.80975E-04 4599 0.765E-02 0.101E-01 RMM: 6 -0.347899713404E+03 -0.59277E-04 -0.18011E-04 3886 0.344E-02 0.142E-01 RMM: 7 -0.347899640117E+03 0.73287E-04 -0.85493E-05 3720 0.281E-02 0.970E-02 RMM: 8 -0.347899581933E+03 0.58184E-04 -0.37482E-05 3101 0.184E-02 0.287E-02 RMM: 9 -0.347899602139E+03 -0.20206E-04 -0.17447E-05 2530 0.120E-02 0.548E-02 RMM: 10 -0.347899588972E+03 0.13167E-04 -0.10708E-05 2481 0.107E-02 8199 T= 5704. E= 0.66570722E+03 F= 0.61852058E+03 E0= 0.64760568E+03 EK= 0.47187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347306640806E+03 0.59296E+00 -0.14159E-01 8064 0.228E+01 0.254E-01 RMM: 2 -0.347311961975E+03 -0.53212E-02 -0.50182E-02 5037 0.523E-01 0.583E-01 RMM: 3 -0.347309726699E+03 0.22353E-02 -0.52621E-03 5448 0.154E-01 0.195E-01 RMM: 4 -0.347310188153E+03 -0.46145E-03 -0.92088E-04 4624 0.750E-02 0.340E-01 RMM: 5 -0.347309463029E+03 0.72512E-03 -0.39280E-04 4252 0.531E-02 0.114E-01 RMM: 6 -0.347309393013E+03 0.70016E-04 -0.11143E-04 3783 0.284E-02 0.579E-02 RMM: 7 -0.347309409878E+03 -0.16865E-04 -0.32149E-05 2925 0.175E-02 8200 T= 6028. E= 0.66928713E+03 F= 0.61942296E+03 E0= 0.64851439E+03 EK= 0.49864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346343436126E+03 0.96596E+00 -0.15172E-01 8220 0.235E+01 0.333E-01 RMM: 2 -0.346348189028E+03 -0.47529E-02 -0.51208E-02 5189 0.538E-01 0.600E-01 RMM: 3 -0.346346178376E+03 0.20107E-02 -0.54308E-03 5385 0.162E-01 0.292E-01 RMM: 4 -0.346346924986E+03 -0.74661E-03 -0.12825E-03 4658 0.877E-02 0.456E-01 RMM: 5 -0.346345519758E+03 0.14052E-02 -0.66622E-04 4577 0.676E-02 0.914E-02 RMM: 6 -0.346345538822E+03 -0.19064E-04 -0.15140E-04 3879 0.312E-02 8201 T= 6461. E= 0.67413354E+03 F= 0.62068646E+03 E0= 0.64977652E+03 EK= 0.53447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344930318330E+03 0.14152E+01 -0.16362E-01 8028 0.243E+01 0.388E-01 RMM: 2 -0.344956052186E+03 -0.25734E-01 -0.64832E-02 5128 0.605E-01 0.180E+00 RMM: 3 -0.344933812810E+03 0.22239E-01 -0.11287E-02 5332 0.261E-01 0.305E-01 RMM: 4 -0.344933805281E+03 0.75291E-05 -0.19781E-03 4906 0.100E-01 0.319E-01 RMM: 5 -0.344933310155E+03 0.49513E-03 -0.48923E-04 4485 0.574E-02 0.189E-01 RMM: 6 -0.344933093875E+03 0.21628E-03 -0.15845E-04 3880 0.335E-02 0.714E-02 RMM: 7 -0.344933150182E+03 -0.56307E-04 -0.97524E-05 3702 0.263E-02 0.115E-01 RMM: 8 -0.344933070536E+03 0.79646E-04 -0.47343E-05 3219 0.214E-02 0.339E-02 RMM: 9 -0.344933070995E+03 -0.45897E-06 -0.12800E-05 2505 0.104E-02 8202 T= 6858. E= 0.67912269E+03 F= 0.62238538E+03 E0= 0.65146942E+03 EK= 0.56737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343040516163E+03 0.18926E+01 -0.17480E-01 7752 0.248E+01 0.405E-01 RMM: 2 -0.343072953657E+03 -0.32437E-01 -0.90959E-02 5031 0.718E-01 0.200E+00 RMM: 3 -0.343046001916E+03 0.26952E-01 -0.14700E-02 5338 0.291E-01 0.319E-01 RMM: 4 -0.343045792067E+03 0.20985E-03 -0.24353E-03 5088 0.110E-01 0.290E-01 RMM: 5 -0.343045514675E+03 0.27739E-03 -0.49246E-04 4478 0.563E-02 0.223E-01 RMM: 6 -0.343045183199E+03 0.33148E-03 -0.16916E-04 3874 0.347E-02 0.510E-02 RMM: 7 -0.343045210677E+03 -0.27479E-04 -0.65383E-05 3459 0.217E-02 0.853E-02 RMM: 8 -0.343045166329E+03 0.44348E-04 -0.28240E-05 2857 0.172E-02 0.334E-02 RMM: 9 -0.343045160370E+03 0.59592E-05 -0.81990E-06 2467 0.821E-03 8203 T= 7056. E= 0.68291831E+03 F= 0.62454924E+03 E0= 0.65362038E+03 EK= 0.58369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340740006432E+03 0.23052E+01 -0.18361E-01 7560 0.248E+01 0.330E-01 RMM: 2 -0.340758224592E+03 -0.18218E-01 -0.10657E-01 4889 0.750E-01 0.123E+00 RMM: 3 -0.340747641442E+03 0.10583E-01 -0.12449E-02 5389 0.238E-01 0.253E-01 RMM: 4 -0.340747847984E+03 -0.20654E-03 -0.17365E-03 4951 0.967E-02 0.329E-01 RMM: 5 -0.340747280330E+03 0.56765E-03 -0.52463E-04 4570 0.593E-02 0.179E-01 RMM: 6 -0.340747087271E+03 0.19306E-03 -0.16629E-04 3880 0.334E-02 0.692E-02 RMM: 7 -0.340747143655E+03 -0.56384E-04 -0.95157E-05 3717 0.263E-02 0.116E-01 RMM: 8 -0.340747057777E+03 0.85878E-04 -0.48256E-05 3269 0.216E-02 0.314E-02 RMM: 9 -0.340747058436E+03 -0.65831E-06 -0.11630E-05 2492 0.975E-03 8204 T= 6960. E= 0.68469885E+03 F= 0.62711733E+03 E0= 0.65617234E+03 EK= 0.57582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338204256387E+03 0.25428E+01 -0.17223E-01 7416 0.244E+01 0.302E-01 RMM: 2 -0.338219449228E+03 -0.15193E-01 -0.89386E-02 4990 0.707E-01 0.112E+00 RMM: 3 -0.338210601736E+03 0.88475E-02 -0.99594E-03 5428 0.212E-01 0.226E-01 RMM: 4 -0.338210692405E+03 -0.90670E-04 -0.13950E-03 4786 0.889E-02 0.278E-01 RMM: 5 -0.338210253710E+03 0.43870E-03 -0.53555E-04 4596 0.630E-02 0.143E-01 RMM: 6 -0.338210176184E+03 0.77525E-04 -0.18128E-04 3876 0.352E-02 0.966E-02 RMM: 7 -0.338210205341E+03 -0.29157E-04 -0.81063E-05 3645 0.263E-02 0.116E-01 RMM: 8 -0.338210120542E+03 0.84799E-04 -0.39897E-05 3137 0.196E-02 0.299E-02 RMM: 9 -0.338210123636E+03 -0.30936E-05 -0.11763E-05 2488 0.980E-03 8205 T= 6624. E= 0.68472218E+03 F= 0.62992290E+03 E0= 0.65896148E+03 EK= 0.54799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335671531700E+03 0.25386E+01 -0.16107E-01 7452 0.238E+01 0.286E-01 RMM: 2 -0.335686647187E+03 -0.15115E-01 -0.92527E-02 4956 0.728E-01 0.108E+00 RMM: 3 -0.335678433159E+03 0.82140E-02 -0.10769E-02 5458 0.220E-01 0.227E-01 RMM: 4 -0.335678405613E+03 0.27545E-04 -0.12777E-03 4758 0.845E-02 0.246E-01 RMM: 5 -0.335678126912E+03 0.27870E-03 -0.55646E-04 4599 0.651E-02 0.171E-01 RMM: 6 -0.335677994668E+03 0.13224E-03 -0.21163E-04 3885 0.380E-02 0.102E-01 RMM: 7 -0.335678018726E+03 -0.24058E-04 -0.11313E-04 3820 0.312E-02 0.118E-01 RMM: 8 -0.335677929000E+03 0.89725E-04 -0.48053E-05 3271 0.211E-02 0.295E-02 RMM: 9 -0.335677935332E+03 -0.63312E-05 -0.13903E-05 2502 0.108E-02 8206 T= 6208. E= 0.68408141E+03 F= 0.63272537E+03 E0= 0.66175083E+03 EK= 0.51356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333396901202E+03 0.22810E+01 -0.15161E-01 7512 0.231E+01 0.284E-01 RMM: 2 -0.333411735620E+03 -0.14834E-01 -0.94518E-02 5013 0.751E-01 0.105E+00 RMM: 3 -0.333404006539E+03 0.77291E-02 -0.10702E-02 5501 0.216E-01 0.233E-01 RMM: 4 -0.333403823793E+03 0.18275E-03 -0.11684E-03 4710 0.804E-02 0.213E-01 RMM: 5 -0.333403567196E+03 0.25660E-03 -0.60631E-04 4612 0.696E-02 0.134E-01 RMM: 6 -0.333403569612E+03 -0.24158E-05 -0.23223E-04 3884 0.399E-02 0.135E-01 RMM: 7 -0.333403539678E+03 0.29934E-04 -0.10192E-04 3772 0.309E-02 0.116E-01 RMM: 8 -0.333403452888E+03 0.86790E-04 -0.39941E-05 3137 0.192E-02 0.316E-02 RMM: 9 -0.333403458280E+03 -0.53921E-05 -0.14068E-05 2500 0.108E-02 8207 T= 5885. E= 0.68395851E+03 F= 0.63527202E+03 E0= 0.66428942E+03 EK= 0.48686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331581254682E+03 0.18222E+01 -0.13991E-01 7764 0.227E+01 0.274E-01 RMM: 2 -0.331593992427E+03 -0.12738E-01 -0.74611E-02 5129 0.662E-01 0.104E+00 RMM: 3 -0.331586627351E+03 0.73651E-02 -0.84823E-03 5473 0.195E-01 0.214E-01 RMM: 4 -0.331586612598E+03 0.14753E-04 -0.11230E-03 4657 0.799E-02 0.236E-01 RMM: 5 -0.331586365190E+03 0.24741E-03 -0.50687E-04 4574 0.621E-02 0.168E-01 RMM: 6 -0.331586229636E+03 0.13555E-03 -0.18434E-04 3880 0.355E-02 0.918E-02 RMM: 7 -0.331586261133E+03 -0.31496E-04 -0.10214E-04 3774 0.297E-02 0.115E-01 RMM: 8 -0.331586176645E+03 0.84487E-04 -0.43950E-05 3237 0.204E-02 0.290E-02 RMM: 9 -0.331586182635E+03 -0.59901E-05 -0.12337E-05 2498 0.100E-02 8208 T= 5774. E= 0.68513108E+03 F= 0.63736095E+03 E0= 0.66637682E+03 EK= 0.47770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330335415419E+03 0.12508E+01 -0.14021E-01 7968 0.229E+01 0.260E-01 RMM: 2 -0.330344108742E+03 -0.86933E-02 -0.67191E-02 5141 0.610E-01 0.773E-01 RMM: 3 -0.330340103750E+03 0.40050E-02 -0.68691E-03 5584 0.168E-01 0.192E-01 RMM: 4 -0.330340321332E+03 -0.21758E-03 -0.10169E-03 4635 0.779E-02 0.286E-01 RMM: 5 -0.330339834288E+03 0.48704E-03 -0.41718E-04 4369 0.549E-02 0.129E-01 RMM: 6 -0.330339764809E+03 0.69479E-04 -0.14363E-04 3871 0.319E-02 0.829E-02 RMM: 7 -0.330339798076E+03 -0.33267E-04 -0.64136E-05 3474 0.234E-02 0.108E-01 RMM: 8 -0.330339722997E+03 0.75079E-04 -0.32449E-05 2989 0.182E-02 0.274E-02 RMM: 9 -0.330339724866E+03 -0.18695E-05 -0.10630E-05 2482 0.931E-03 8209 T= 5924. E= 0.68788292E+03 F= 0.63887459E+03 E0= 0.66789466E+03 EK= 0.49008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329679914129E+03 0.65981E+00 -0.15734E-01 7716 0.236E+01 0.298E-01 RMM: 2 -0.329694159268E+03 -0.14245E-01 -0.89638E-02 5020 0.705E-01 0.106E+00 RMM: 3 -0.329686295896E+03 0.78634E-02 -0.10128E-02 5506 0.210E-01 0.218E-01 RMM: 4 -0.329686616589E+03 -0.32069E-03 -0.14617E-03 4804 0.903E-02 0.325E-01 RMM: 5 -0.329686036535E+03 0.58005E-03 -0.44016E-04 4287 0.538E-02 0.160E-01 RMM: 6 -0.329685874608E+03 0.16193E-03 -0.12906E-04 3858 0.304E-02 0.567E-02 RMM: 7 -0.329685918371E+03 -0.43763E-04 -0.72313E-05 3531 0.227E-02 0.100E-01 RMM: 8 -0.329685855931E+03 0.62440E-04 -0.37735E-05 3069 0.198E-02 0.298E-02 RMM: 9 -0.329685855039E+03 0.89177E-06 -0.10152E-05 2480 0.916E-03 8210 T= 6311. E= 0.69199516E+03 F= 0.63978753E+03 E0= 0.66881744E+03 EK= 0.52208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329569015513E+03 0.11684E+00 -0.16537E-01 7596 0.246E+01 0.331E-01 RMM: 2 -0.329582800020E+03 -0.13785E-01 -0.83243E-02 5219 0.702E-01 0.110E+00 RMM: 3 -0.329574492729E+03 0.83073E-02 -0.92338E-03 5437 0.207E-01 0.235E-01 RMM: 4 -0.329574928973E+03 -0.43624E-03 -0.16289E-03 4723 0.959E-02 0.359E-01 RMM: 5 -0.329574127639E+03 0.80133E-03 -0.47825E-04 4232 0.560E-02 0.137E-01 RMM: 6 -0.329574017904E+03 0.10973E-03 -0.12522E-04 3825 0.303E-02 0.583E-02 RMM: 7 -0.329574061216E+03 -0.43312E-04 -0.54591E-05 3315 0.201E-02 0.102E-01 RMM: 8 -0.329573994926E+03 0.66290E-04 -0.37505E-05 2985 0.193E-02 0.312E-02 RMM: 9 -0.329573995936E+03 -0.10097E-05 -0.14104E-05 2494 0.108E-02 8211 T= 6824. E= 0.69660279E+03 F= 0.64014883E+03 E0= 0.66919262E+03 EK= 0.56454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329898767864E+03 -0.32477E+00 -0.18384E-01 7584 0.256E+01 0.358E-01 RMM: 2 -0.329916931263E+03 -0.18163E-01 -0.11083E-01 5136 0.810E-01 0.125E+00 RMM: 3 -0.329906536259E+03 0.10395E-01 -0.12752E-02 5496 0.242E-01 0.273E-01 RMM: 4 -0.329906848480E+03 -0.31222E-03 -0.19647E-03 4893 0.104E-01 0.365E-01 RMM: 5 -0.329906077404E+03 0.77108E-03 -0.52667E-04 4446 0.585E-02 0.167E-01 RMM: 6 -0.329905897253E+03 0.18015E-03 -0.13036E-04 3809 0.299E-02 0.545E-02 RMM: 7 -0.329905928710E+03 -0.31457E-04 -0.61482E-05 3412 0.210E-02 0.923E-02 RMM: 8 -0.329905875121E+03 0.53590E-04 -0.37048E-05 2985 0.189E-02 0.329E-02 RMM: 9 -0.329905876440E+03 -0.13189E-05 -0.15059E-05 2504 0.112E-02 8212 T= 7264. E= 0.70015171E+03 F= 0.64005832E+03 E0= 0.66911849E+03 EK= 0.60093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330560373534E+03 -0.65450E+00 -0.19242E-01 7632 0.261E+01 0.364E-01 RMM: 2 -0.330577809053E+03 -0.17436E-01 -0.10480E-01 5277 0.789E-01 0.125E+00 RMM: 3 -0.330567349145E+03 0.10460E-01 -0.11140E-02 5447 0.230E-01 0.253E-01 RMM: 4 -0.330567793735E+03 -0.44459E-03 -0.18950E-03 4766 0.103E-01 0.379E-01 RMM: 5 -0.330566922872E+03 0.87086E-03 -0.53062E-04 4456 0.582E-02 0.155E-01 RMM: 6 -0.330566778682E+03 0.14419E-03 -0.14514E-04 3842 0.316E-02 0.589E-02 RMM: 7 -0.330566825077E+03 -0.46396E-04 -0.62892E-05 3445 0.213E-02 0.106E-01 RMM: 8 -0.330566752973E+03 0.72105E-04 -0.40590E-05 3044 0.197E-02 0.341E-02 RMM: 9 -0.330566753278E+03 -0.30547E-06 -0.15609E-05 2502 0.113E-02 8213 T= 7415. E= 0.70097571E+03 F= 0.63963520E+03 E0= 0.66871151E+03 EK= 0.61341E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331451067200E+03 -0.88431E+00 -0.19252E-01 7692 0.260E+01 0.333E-01 RMM: 2 -0.331467780051E+03 -0.16713E-01 -0.11091E-01 5181 0.791E-01 0.115E+00 RMM: 3 -0.331458970089E+03 0.88100E-02 -0.11396E-02 5569 0.220E-01 0.237E-01 RMM: 4 -0.331459338702E+03 -0.36861E-03 -0.16845E-03 4815 0.988E-02 0.360E-01 RMM: 5 -0.331458574541E+03 0.76416E-03 -0.50385E-04 4465 0.575E-02 0.158E-01 RMM: 6 -0.331458422292E+03 0.15225E-03 -0.14677E-04 3862 0.313E-02 0.662E-02 RMM: 7 -0.331458487961E+03 -0.65669E-04 -0.97832E-05 3775 0.261E-02 0.122E-01 RMM: 8 -0.331458392469E+03 0.95492E-04 -0.49957E-05 3269 0.214E-02 0.294E-02 RMM: 9 -0.331458393875E+03 -0.14060E-05 -0.12475E-05 2497 0.996E-03 8214 T= 7189. E= 0.69845378E+03 F= 0.63898384E+03 E0= 0.66807568E+03 EK= 0.59470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332517066378E+03 -0.10587E+01 -0.18199E-01 7740 0.252E+01 0.315E-01 RMM: 2 -0.332533308690E+03 -0.16242E-01 -0.10750E-01 5100 0.782E-01 0.111E+00 RMM: 3 -0.332524945984E+03 0.83627E-02 -0.11373E-02 5581 0.219E-01 0.218E-01 RMM: 4 -0.332525165391E+03 -0.21941E-03 -0.14894E-03 4820 0.936E-02 0.321E-01 RMM: 5 -0.332524559869E+03 0.60552E-03 -0.49461E-04 4530 0.577E-02 0.152E-01 RMM: 6 -0.332524457602E+03 0.10227E-03 -0.19482E-04 3895 0.364E-02 0.920E-02 RMM: 7 -0.332524515637E+03 -0.58035E-04 -0.91100E-05 3690 0.263E-02 0.131E-01 RMM: 8 -0.332524403614E+03 0.11202E-03 -0.49318E-05 3263 0.213E-02 0.298E-02 RMM: 9 -0.332524405084E+03 -0.14699E-05 -0.12218E-05 2492 0.973E-03 8215 T= 6697. E= 0.69356954E+03 F= 0.63816668E+03 E0= 0.66727327E+03 EK= 0.55403E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333743599861E+03 -0.12192E+01 -0.16576E-01 7980 0.242E+01 0.289E-01 RMM: 2 -0.333757073831E+03 -0.13474E-01 -0.85493E-02 5232 0.696E-01 0.104E+00 RMM: 3 -0.333749763866E+03 0.73100E-02 -0.84606E-03 5519 0.192E-01 0.219E-01 RMM: 4 -0.333749888355E+03 -0.12449E-03 -0.12225E-03 4682 0.853E-02 0.289E-01 RMM: 5 -0.333749421240E+03 0.46712E-03 -0.50838E-04 4583 0.612E-02 0.159E-01 RMM: 6 -0.333749316766E+03 0.10447E-03 -0.21299E-04 3892 0.377E-02 0.104E-01 RMM: 7 -0.333749360870E+03 -0.44104E-04 -0.11054E-04 3814 0.296E-02 0.132E-01 RMM: 8 -0.333749248162E+03 0.11271E-03 -0.52974E-05 3338 0.218E-02 0.285E-02 RMM: 9 -0.333749252518E+03 -0.43562E-05 -0.12750E-05 2494 0.101E-02 8216 T= 6157. E= 0.68814227E+03 F= 0.63720335E+03 E0= 0.66632545E+03 EK= 0.50939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335133383478E+03 -0.13841E+01 -0.15390E-01 7872 0.232E+01 0.291E-01 RMM: 2 -0.335145973001E+03 -0.12590E-01 -0.80686E-02 5173 0.679E-01 0.101E+00 RMM: 3 -0.335139149793E+03 0.68232E-02 -0.86078E-03 5498 0.195E-01 0.217E-01 RMM: 4 -0.335139263384E+03 -0.11359E-03 -0.12641E-03 4682 0.865E-02 0.286E-01 RMM: 5 -0.335138776601E+03 0.48678E-03 -0.54989E-04 4597 0.637E-02 0.144E-01 RMM: 6 -0.335138741952E+03 0.34648E-04 -0.23096E-04 3900 0.395E-02 0.127E-01 RMM: 7 -0.335138744833E+03 -0.28813E-05 -0.10031E-04 3752 0.294E-02 8217 T= 5755. E= 0.68370095E+03 F= 0.63608884E+03 E0= 0.66522770E+03 EK= 0.47612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336687017435E+03 -0.15483E+01 -0.14291E-01 8172 0.225E+01 0.316E-01 RMM: 2 -0.336696479727E+03 -0.94623E-02 -0.73170E-02 5120 0.639E-01 0.828E-01 RMM: 3 -0.336692006937E+03 0.44728E-02 -0.78281E-03 5491 0.181E-01 0.258E-01 RMM: 4 -0.336692411061E+03 -0.40412E-03 -0.14454E-03 4759 0.942E-02 0.380E-01 RMM: 5 -0.336691476652E+03 0.93441E-03 -0.73835E-04 4609 0.734E-02 0.128E-01 RMM: 6 -0.336691513949E+03 -0.37298E-04 -0.23185E-04 3885 0.389E-02 0.150E-01 RMM: 7 -0.336691435972E+03 0.77978E-04 -0.10619E-04 3800 0.308E-02 0.106E-01 RMM: 8 -0.336691366498E+03 0.69474E-04 -0.43438E-05 3210 0.195E-02 0.308E-02 RMM: 9 -0.336691387981E+03 -0.21483E-04 -0.19574E-05 2547 0.128E-02 0.580E-02 RMM: 10 -0.336691374444E+03 0.13537E-04 -0.12598E-05 2495 0.114E-02 8218 T= 5589. E= 0.68105492E+03 F= 0.63482188E+03 E0= 0.66397987E+03 EK= 0.46233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338371747454E+03 -0.16804E+01 -0.14573E-01 7776 0.224E+01 0.258E-01 RMM: 2 -0.338382338600E+03 -0.10591E-01 -0.94885E-02 4840 0.724E-01 0.694E-01 RMM: 3 -0.338379017573E+03 0.33210E-02 -0.10613E-02 5649 0.198E-01 0.190E-01 RMM: 4 -0.338379303711E+03 -0.28614E-03 -0.11412E-03 4768 0.827E-02 0.323E-01 RMM: 5 -0.338378701284E+03 0.60243E-03 -0.42356E-04 4431 0.541E-02 0.142E-01 RMM: 6 -0.338378590171E+03 0.11111E-03 -0.16310E-04 3879 0.336E-02 0.635E-02 RMM: 7 -0.338378589603E+03 0.56759E-06 -0.37389E-05 3078 0.189E-02 8219 T= 5681. E= 0.68042560E+03 F= 0.63342569E+03 E0= 0.66260635E+03 EK= 0.47000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340130548072E+03 -0.17520E+01 -0.14220E-01 7728 0.228E+01 0.344E-01 RMM: 2 -0.340138210760E+03 -0.76627E-02 -0.73516E-02 5027 0.652E-01 0.703E-01 RMM: 3 -0.340135372011E+03 0.28387E-02 -0.83276E-03 5477 0.188E-01 0.292E-01 RMM: 4 -0.340136125548E+03 -0.75354E-03 -0.16047E-03 4820 0.976E-02 0.466E-01 RMM: 5 -0.340134721318E+03 0.14042E-02 -0.72010E-04 4571 0.688E-02 0.117E-01 RMM: 6 -0.340134697500E+03 0.23818E-04 -0.17387E-04 3877 0.332E-02 0.108E-01 RMM: 7 -0.340134684458E+03 0.13042E-04 -0.67180E-05 3507 0.230E-02 8220 T= 6001. E= 0.68160824E+03 F= 0.63196008E+03 E0= 0.66116620E+03 EK= 0.49648E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341850940423E+03 -0.17162E+01 -0.16193E-01 7668 0.235E+01 0.313E-01 RMM: 2 -0.341862106863E+03 -0.11166E-01 -0.10245E-01 4870 0.760E-01 0.721E-01 RMM: 3 -0.341858716185E+03 0.33907E-02 -0.11471E-02 5635 0.208E-01 0.259E-01 RMM: 4 -0.341859237374E+03 -0.52119E-03 -0.15598E-03 4917 0.963E-02 0.413E-01 RMM: 5 -0.341858105154E+03 0.11322E-02 -0.62955E-04 4556 0.644E-02 0.887E-02 RMM: 6 -0.341858110982E+03 -0.58280E-05 -0.12443E-04 3829 0.282E-02 8221 T= 6457. E= 0.68393931E+03 F= 0.63052231E+03 E0= 0.65975839E+03 EK= 0.53417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343418785466E+03 -0.15607E+01 -0.16724E-01 7884 0.244E+01 0.433E-01 RMM: 2 -0.343447543421E+03 -0.28758E-01 -0.98589E-02 5080 0.765E-01 0.185E+00 RMM: 3 -0.343424875632E+03 0.22668E-01 -0.15082E-02 5348 0.291E-01 0.316E-01 RMM: 4 -0.343425349147E+03 -0.47351E-03 -0.27434E-03 5218 0.118E-01 0.428E-01 RMM: 5 -0.343424272628E+03 0.10765E-02 -0.69509E-04 4598 0.658E-02 0.175E-01 RMM: 6 -0.343424091192E+03 0.18144E-03 -0.19062E-04 3891 0.360E-02 0.781E-02 RMM: 7 -0.343424133670E+03 -0.42478E-04 -0.87417E-05 3676 0.249E-02 0.115E-01 RMM: 8 -0.343424054857E+03 0.78813E-04 -0.43277E-05 3164 0.195E-02 0.458E-02 RMM: 9 -0.343424048397E+03 0.64603E-05 -0.20367E-05 2567 0.131E-02 8222 T= 6890. E= 0.68623602E+03 F= 0.62923605E+03 E0= 0.65850581E+03 EK= 0.57000E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344718020501E+03 -0.12940E+01 -0.17193E-01 7692 0.249E+01 0.391E-01 RMM: 2 -0.344742529302E+03 -0.24509E-01 -0.92971E-02 5094 0.746E-01 0.167E+00 RMM: 3 -0.344723984762E+03 0.18545E-01 -0.13283E-02 5362 0.272E-01 0.342E-01 RMM: 4 -0.344723951829E+03 0.32932E-04 -0.26850E-03 5225 0.120E-01 0.352E-01 RMM: 5 -0.344723324129E+03 0.62770E-03 -0.65887E-04 4573 0.671E-02 0.191E-01 RMM: 6 -0.344723082718E+03 0.24141E-03 -0.14566E-04 3878 0.316E-02 0.552E-02 RMM: 7 -0.344723116690E+03 -0.33972E-04 -0.67898E-05 3472 0.217E-02 0.964E-02 RMM: 8 -0.344723059582E+03 0.57107E-04 -0.36656E-05 3014 0.190E-02 0.368E-02 RMM: 9 -0.344723055430E+03 0.41521E-05 -0.13282E-05 2490 0.105E-02 8223 T= 7118. E= 0.68709687E+03 F= 0.62821295E+03 E0= 0.65752176E+03 EK= 0.58884E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345699775056E+03 -0.97672E+00 -0.17718E-01 7728 0.250E+01 0.384E-01 RMM: 2 -0.345719995135E+03 -0.20220E-01 -0.89789E-02 5099 0.742E-01 0.150E+00 RMM: 3 -0.345705354332E+03 0.14641E-01 -0.11750E-02 5393 0.246E-01 0.254E-01 RMM: 4 -0.345705975275E+03 -0.62094E-03 -0.21168E-03 4940 0.107E-01 0.416E-01 RMM: 5 -0.345704985318E+03 0.98996E-03 -0.61020E-04 4565 0.631E-02 0.179E-01 RMM: 6 -0.345704798379E+03 0.18694E-03 -0.17680E-04 3880 0.343E-02 0.748E-02 RMM: 7 -0.345704862465E+03 -0.64086E-04 -0.86042E-05 3665 0.247E-02 0.127E-01 RMM: 8 -0.345704759340E+03 0.10312E-03 -0.48420E-05 3267 0.211E-02 0.301E-02 RMM: 9 -0.345704765903E+03 -0.65628E-05 -0.16122E-05 2523 0.113E-02 8224 T= 7034. E= 0.68569408E+03 F= 0.62750790E+03 E0= 0.65686035E+03 EK= 0.58186E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346399180007E+03 -0.69442E+00 -0.17151E-01 7752 0.246E+01 0.313E-01 RMM: 2 -0.346412300980E+03 -0.13121E-01 -0.92234E-02 4992 0.723E-01 0.977E-01 RMM: 3 -0.346405792786E+03 0.65082E-02 -0.10566E-02 5486 0.212E-01 0.217E-01 RMM: 4 -0.346406317995E+03 -0.52521E-03 -0.16257E-03 4938 0.987E-02 0.377E-01 RMM: 5 -0.346405453905E+03 0.86409E-03 -0.60944E-04 4583 0.653E-02 0.145E-01 RMM: 6 -0.346405362447E+03 0.91457E-04 -0.16928E-04 3878 0.327E-02 0.932E-02 RMM: 7 -0.346405394644E+03 -0.32197E-04 -0.85829E-05 3639 0.261E-02 0.117E-01 RMM: 8 -0.346405309858E+03 0.84786E-04 -0.42503E-05 3195 0.199E-02 0.288E-02 RMM: 9 -0.346405316276E+03 -0.64185E-05 -0.13368E-05 2495 0.103E-02 8225 T= 6685. E= 0.68238870E+03 F= 0.62708982E+03 E0= 0.65649075E+03 EK= 0.55299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346920112975E+03 -0.51480E+00 -0.17014E-01 7680 0.238E+01 0.308E-01 RMM: 2 -0.346934901847E+03 -0.14789E-01 -0.11018E-01 4935 0.791E-01 0.982E-01 RMM: 3 -0.346928559275E+03 0.63426E-02 -0.13018E-02 5674 0.219E-01 0.219E-01 RMM: 4 -0.346928713259E+03 -0.15398E-03 -0.14953E-03 4908 0.947E-02 0.326E-01 RMM: 5 -0.346928146266E+03 0.56699E-03 -0.63950E-04 4603 0.675E-02 0.180E-01 RMM: 6 -0.346928001996E+03 0.14427E-03 -0.25297E-04 3903 0.415E-02 0.107E-01 RMM: 7 -0.346928043368E+03 -0.41373E-04 -0.11117E-04 3779 0.301E-02 0.133E-01 RMM: 8 -0.346927932030E+03 0.11134E-03 -0.54226E-05 3350 0.221E-02 0.363E-02 RMM: 9 -0.346927931935E+03 0.95153E-07 -0.13332E-05 2504 0.105E-02 8226 T= 6235. E= 0.67843985E+03 F= 0.62685911E+03 E0= 0.65631216E+03 EK= 0.51581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347386916601E+03 -0.45898E+00 -0.15993E-01 7812 0.230E+01 0.301E-01 RMM: 2 -0.347400081492E+03 -0.13165E-01 -0.88033E-02 4954 0.716E-01 0.100E+00 RMM: 3 -0.347393296315E+03 0.67852E-02 -0.10330E-02 5518 0.211E-01 0.212E-01 RMM: 4 -0.347393651221E+03 -0.35491E-03 -0.14475E-03 4903 0.938E-02 0.346E-01 RMM: 5 -0.347392961979E+03 0.68924E-03 -0.69438E-04 4599 0.716E-02 0.161E-01 RMM: 6 -0.347392875900E+03 0.86079E-04 -0.23346E-04 3898 0.389E-02 0.117E-01 RMM: 7 -0.347392878077E+03 -0.21771E-05 -0.11073E-04 3787 0.312E-02 8227 T= 5859. E= 0.67516589E+03 F= 0.62669615E+03 E0= 0.65620390E+03 EK= 0.48470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347884195679E+03 -0.49132E+00 -0.15429E-01 7884 0.225E+01 0.325E-01 RMM: 2 -0.347893325320E+03 -0.91296E-02 -0.72322E-02 5018 0.648E-01 0.824E-01 RMM: 3 -0.347889013175E+03 0.43121E-02 -0.81073E-03 5540 0.186E-01 0.250E-01 RMM: 4 -0.347889529880E+03 -0.51671E-03 -0.15595E-03 4843 0.988E-02 0.403E-01 RMM: 5 -0.347888535256E+03 0.99462E-03 -0.86955E-04 4607 0.805E-02 0.147E-01 RMM: 6 -0.347888539825E+03 -0.45697E-05 -0.24528E-04 3884 0.402E-02 0.152E-01 RMM: 7 -0.347888448725E+03 0.91100E-04 -0.12692E-04 3858 0.349E-02 0.992E-02 RMM: 8 -0.347888391640E+03 0.57085E-04 -0.45178E-05 3218 0.201E-02 0.351E-02 RMM: 9 -0.347888414700E+03 -0.23060E-04 -0.19432E-05 2558 0.127E-02 0.623E-02 RMM: 10 -0.347888399590E+03 0.15110E-04 -0.14265E-05 2509 0.121E-02 8228 T= 5670. E= 0.67341365E+03 F= 0.62650999E+03 E0= 0.65607528E+03 EK= 0.46904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348445138449E+03 -0.55672E+00 -0.15163E-01 8160 0.224E+01 0.267E-01 RMM: 2 -0.348453850615E+03 -0.87122E-02 -0.75085E-02 4978 0.648E-01 0.712E-01 RMM: 3 -0.348450515172E+03 0.33354E-02 -0.85099E-03 5591 0.183E-01 0.193E-01 RMM: 4 -0.348450865615E+03 -0.35044E-03 -0.11246E-03 4734 0.828E-02 0.329E-01 RMM: 5 -0.348450300714E+03 0.56490E-03 -0.44650E-04 4474 0.565E-02 0.172E-01 RMM: 6 -0.348450113909E+03 0.18681E-03 -0.17108E-04 3892 0.346E-02 0.487E-02 RMM: 7 -0.348450129427E+03 -0.15519E-04 -0.40005E-05 3121 0.200E-02 8229 T= 5712. E= 0.67351711E+03 F= 0.62625972E+03 E0= 0.65588412E+03 EK= 0.47257E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349051754431E+03 -0.60164E+00 -0.14964E-01 8304 0.227E+01 0.354E-01 RMM: 2 -0.349058972157E+03 -0.72177E-02 -0.61919E-02 5105 0.601E-01 0.779E-01 RMM: 3 -0.349055280851E+03 0.36913E-02 -0.70103E-03 5478 0.176E-01 0.284E-01 RMM: 4 -0.349056207899E+03 -0.92705E-03 -0.17732E-03 4829 0.105E-01 0.479E-01 RMM: 5 -0.349054673676E+03 0.15342E-02 -0.76111E-04 4564 0.719E-02 0.121E-01 RMM: 6 -0.349054645602E+03 0.28074E-04 -0.17163E-04 3879 0.334E-02 0.109E-01 RMM: 7 -0.349054645783E+03 -0.18017E-06 -0.73587E-05 3551 0.239E-02 8230 T= 5975. E= 0.67539517E+03 F= 0.62596290E+03 E0= 0.65564679E+03 EK= 0.49432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349614989790E+03 -0.56034E+00 -0.16726E-01 8016 0.234E+01 0.312E-01 RMM: 2 -0.349624762383E+03 -0.97726E-02 -0.99348E-02 4902 0.741E-01 0.610E-01 RMM: 3 -0.349622547017E+03 0.22154E-02 -0.11273E-02 5720 0.198E-01 0.282E-01 RMM: 4 -0.349623091329E+03 -0.54431E-03 -0.14268E-03 4878 0.930E-02 0.430E-01 RMM: 5 -0.349621875813E+03 0.12155E-02 -0.60258E-04 4549 0.633E-02 0.101E-01 RMM: 6 -0.349621852860E+03 0.22954E-04 -0.12878E-04 3856 0.290E-02 0.865E-02 RMM: 7 -0.349621857848E+03 -0.49889E-05 -0.48511E-05 3219 0.196E-02 8231 T= 6387. E= 0.67852962E+03 F= 0.62569518E+03 E0= 0.65543681E+03 EK= 0.52834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350022756305E+03 -0.40090E+00 -0.17301E-01 8256 0.242E+01 0.358E-01 RMM: 2 -0.350037448244E+03 -0.14692E-01 -0.95502E-02 5050 0.734E-01 0.112E+00 RMM: 3 -0.350029104769E+03 0.83435E-02 -0.11117E-02 5471 0.220E-01 0.250E-01 RMM: 4 -0.350029995419E+03 -0.89065E-03 -0.19747E-03 4953 0.106E-01 0.457E-01 RMM: 5 -0.350028693602E+03 0.13018E-02 -0.63755E-04 4573 0.650E-02 0.155E-01 RMM: 6 -0.350028549661E+03 0.14394E-03 -0.14905E-04 3871 0.309E-02 0.630E-02 RMM: 7 -0.350028591355E+03 -0.41694E-04 -0.59775E-05 3390 0.207E-02 0.105E-01 RMM: 8 -0.350028521990E+03 0.69364E-04 -0.39079E-05 3079 0.193E-02 0.312E-02 RMM: 9 -0.350028525961E+03 -0.39707E-05 -0.14728E-05 2500 0.109E-02 8232 T= 6808. E= 0.68189513E+03 F= 0.62557840E+03 E0= 0.65537359E+03 EK= 0.56317E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350134141479E+03 -0.10562E+00 -0.18324E-01 8268 0.248E+01 0.328E-01 RMM: 2 -0.350143701757E+03 -0.95603E-02 -0.88577E-02 5087 0.708E-01 0.758E-01 RMM: 3 -0.350140278952E+03 0.34228E-02 -0.96307E-03 5538 0.205E-01 0.302E-01 RMM: 4 -0.350140815199E+03 -0.53625E-03 -0.16149E-03 4827 0.967E-02 0.422E-01 RMM: 5 -0.350139702363E+03 0.11128E-02 -0.61533E-04 4563 0.635E-02 0.149E-01 RMM: 6 -0.350139563433E+03 0.13893E-03 -0.13878E-04 3866 0.303E-02 0.508E-02 RMM: 7 -0.350139598496E+03 -0.35063E-04 -0.45573E-05 3169 0.189E-02 0.960E-02 RMM: 8 -0.350139539874E+03 0.58622E-04 -0.27413E-05 2700 0.168E-02 0.246E-02 RMM: 9 -0.350139547545E+03 -0.76709E-05 -0.13684E-05 2491 0.102E-02 8233 T= 7061. E= 0.68416322E+03 F= 0.62574953E+03 E0= 0.65559099E+03 EK= 0.58414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349850627111E+03 0.28891E+00 -0.18434E-01 8244 0.250E+01 0.346E-01 RMM: 2 -0.349864020505E+03 -0.13393E-01 -0.87491E-02 5131 0.703E-01 0.109E+00 RMM: 3 -0.349856199370E+03 0.78211E-02 -0.93385E-03 5470 0.207E-01 0.224E-01 RMM: 4 -0.349857020100E+03 -0.82073E-03 -0.18162E-03 4869 0.103E-01 0.434E-01 RMM: 5 -0.349855889870E+03 0.11302E-02 -0.60223E-04 4549 0.638E-02 0.160E-01 RMM: 6 -0.349855739650E+03 0.15022E-03 -0.13536E-04 3859 0.295E-02 0.671E-02 RMM: 7 -0.349855780864E+03 -0.41214E-04 -0.76427E-05 3576 0.233E-02 0.106E-01 RMM: 8 -0.349855711121E+03 0.69743E-04 -0.42026E-05 3152 0.201E-02 0.281E-02 RMM: 9 -0.349855717327E+03 -0.62060E-05 -0.13470E-05 2494 0.104E-02 8234 T= 7020. E= 0.68439019E+03 F= 0.62631202E+03 E0= 0.65618956E+03 EK= 0.58078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349146304542E+03 0.70941E+00 -0.18467E-01 8148 0.246E+01 0.322E-01 RMM: 2 -0.349159423728E+03 -0.13119E-01 -0.91417E-02 5095 0.714E-01 0.102E+00 RMM: 3 -0.349152558228E+03 0.68655E-02 -0.10053E-02 5541 0.212E-01 0.241E-01 RMM: 4 -0.349152935276E+03 -0.37705E-03 -0.15458E-03 4810 0.949E-02 0.358E-01 RMM: 5 -0.349152211527E+03 0.72375E-03 -0.53842E-04 4579 0.599E-02 0.174E-01 RMM: 6 -0.349152036244E+03 0.17528E-03 -0.18812E-04 3886 0.356E-02 0.696E-02 RMM: 7 -0.349152105194E+03 -0.68950E-04 -0.76428E-05 3575 0.243E-02 0.124E-01 RMM: 8 -0.349152011123E+03 0.94071E-04 -0.37120E-05 3094 0.191E-02 0.326E-02 RMM: 9 -0.349152011509E+03 -0.38563E-06 -0.12385E-05 2486 0.987E-03 8235 T= 6698. E= 0.68271024E+03 F= 0.62729575E+03 E0= 0.65719794E+03 EK= 0.55414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348074363117E+03 0.10776E+01 -0.17978E-01 7848 0.239E+01 0.287E-01 RMM: 2 -0.348087627770E+03 -0.13265E-01 -0.94963E-02 5108 0.711E-01 0.967E-01 RMM: 3 -0.348081170318E+03 0.64575E-02 -0.92577E-03 5640 0.194E-01 0.190E-01 RMM: 4 -0.348081600277E+03 -0.42996E-03 -0.13674E-03 4787 0.926E-02 0.354E-01 RMM: 5 -0.348080909967E+03 0.69031E-03 -0.55358E-04 4552 0.626E-02 0.162E-01 RMM: 6 -0.348080795274E+03 0.11469E-03 -0.19915E-04 3889 0.363E-02 0.985E-02 RMM: 7 -0.348080814783E+03 -0.19510E-04 -0.10010E-04 3798 0.296E-02 8236 T= 6237. E= 0.68025057E+03 F= 0.62865185E+03 E0= 0.65856739E+03 EK= 0.51599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346733065018E+03 0.13477E+01 -0.16924E-01 7836 0.231E+01 0.317E-01 RMM: 2 -0.346745611358E+03 -0.12546E-01 -0.87931E-02 5353 0.685E-01 0.984E-01 RMM: 3 -0.346739023268E+03 0.65881E-02 -0.80119E-03 5589 0.189E-01 0.251E-01 RMM: 4 -0.346739150605E+03 -0.12734E-03 -0.13508E-03 4650 0.901E-02 0.319E-01 RMM: 5 -0.346738584671E+03 0.56593E-03 -0.77407E-04 4605 0.766E-02 0.167E-01 RMM: 6 -0.346738532577E+03 0.52094E-04 -0.24736E-04 3902 0.409E-02 0.144E-01 RMM: 7 -0.346738498976E+03 0.33601E-04 -0.15271E-04 3876 0.371E-02 0.126E-01 RMM: 8 -0.346738403479E+03 0.95497E-04 -0.59849E-05 3393 0.231E-02 0.396E-02 RMM: 9 -0.346738415820E+03 -0.12342E-04 -0.19626E-05 2563 0.131E-02 8237 T= 5813. E= 0.67837317E+03 F= 0.63028462E+03 E0= 0.66020414E+03 EK= 0.48089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345219096381E+03 0.15193E+01 -0.16274E-01 7992 0.225E+01 0.293E-01 RMM: 2 -0.345236216410E+03 -0.17120E-01 -0.93455E-02 5335 0.699E-01 0.125E+00 RMM: 3 -0.345225694445E+03 0.10522E-01 -0.89902E-03 5507 0.206E-01 0.235E-01 RMM: 4 -0.345225546767E+03 0.14768E-03 -0.11483E-03 4640 0.771E-02 0.226E-01 RMM: 5 -0.345225381764E+03 0.16500E-03 -0.53571E-04 4582 0.635E-02 0.185E-01 RMM: 6 -0.345225193155E+03 0.18861E-03 -0.24905E-04 3906 0.422E-02 0.793E-02 RMM: 7 -0.345225268711E+03 -0.75556E-04 -0.92007E-05 3719 0.279E-02 0.131E-01 RMM: 8 -0.345225157962E+03 0.11075E-03 -0.40601E-05 3154 0.198E-02 0.336E-02 RMM: 9 -0.345225154469E+03 0.34928E-05 -0.94288E-06 2475 0.875E-03 8238 T= 5557. E= 0.67806363E+03 F= 0.63209095E+03 E0= 0.66200600E+03 EK= 0.45973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343613066557E+03 0.16121E+01 -0.16108E-01 8100 0.222E+01 0.295E-01 RMM: 2 -0.343625389993E+03 -0.12323E-01 -0.87209E-02 5426 0.649E-01 0.934E-01 RMM: 3 -0.343619052406E+03 0.63376E-02 -0.70955E-03 5586 0.175E-01 0.213E-01 RMM: 4 -0.343619383055E+03 -0.33065E-03 -0.13311E-03 4652 0.907E-02 0.338E-01 RMM: 5 -0.343618725352E+03 0.65770E-03 -0.59238E-04 4584 0.656E-02 0.158E-01 RMM: 6 -0.343618645481E+03 0.79872E-04 -0.20218E-04 3890 0.363E-02 0.119E-01 RMM: 7 -0.343618611577E+03 0.33904E-04 -0.10581E-04 3866 0.312E-02 0.962E-02 RMM: 8 -0.343618555538E+03 0.56039E-04 -0.32660E-05 3052 0.174E-02 0.319E-02 RMM: 9 -0.343618564639E+03 -0.91011E-05 -0.14960E-05 2510 0.112E-02 8239 T= 5540. E= 0.67981833E+03 F= 0.63398785E+03 E0= 0.66389113E+03 EK= 0.45830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341964570829E+03 0.16540E+01 -0.16660E-01 8172 0.224E+01 0.298E-01 RMM: 2 -0.341980726720E+03 -0.16156E-01 -0.99256E-02 5295 0.704E-01 0.114E+00 RMM: 3 -0.341971661433E+03 0.90653E-02 -0.95169E-03 5640 0.202E-01 0.234E-01 RMM: 4 -0.341971626421E+03 0.35012E-04 -0.12339E-03 4666 0.821E-02 0.266E-01 RMM: 5 -0.341971312500E+03 0.31392E-03 -0.44617E-04 4449 0.549E-02 0.174E-01 RMM: 6 -0.341971144215E+03 0.16828E-03 -0.19932E-04 3891 0.377E-02 0.792E-02 RMM: 7 -0.341971223754E+03 -0.79539E-04 -0.95127E-05 3727 0.268E-02 0.133E-01 RMM: 8 -0.341971113438E+03 0.11032E-03 -0.48019E-05 3247 0.213E-02 0.404E-02 RMM: 9 -0.341971107120E+03 0.63178E-05 -0.12091E-05 2494 0.100E-02 8240 T= 5781. E= 0.68374203E+03 F= 0.63591661E+03 E0= 0.66580115E+03 EK= 0.47825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340315685416E+03 0.16554E+01 -0.18038E-01 8364 0.230E+01 0.302E-01 RMM: 2 -0.340331110224E+03 -0.15425E-01 -0.10375E-01 5392 0.702E-01 0.106E+00 RMM: 3 -0.340322985966E+03 0.81243E-02 -0.89011E-03 5672 0.193E-01 0.191E-01 RMM: 4 -0.340323473470E+03 -0.48750E-03 -0.13476E-03 4676 0.888E-02 0.357E-01 RMM: 5 -0.340322681338E+03 0.79213E-03 -0.44662E-04 4210 0.543E-02 0.136E-01 RMM: 6 -0.340322597575E+03 0.83763E-04 -0.14863E-04 3883 0.318E-02 0.874E-02 RMM: 7 -0.340322646984E+03 -0.49408E-04 -0.10517E-04 3841 0.274E-02 0.123E-01 RMM: 8 -0.340322550102E+03 0.96882E-04 -0.54042E-05 3323 0.220E-02 0.331E-02 RMM: 9 -0.340322548636E+03 0.14664E-05 -0.11349E-05 2489 0.960E-03 8241 T= 6248. E= 0.68951764E+03 F= 0.63783267E+03 E0= 0.66769162E+03 EK= 0.51685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338711468928E+03 0.16111E+01 -0.19820E-01 8340 0.240E+01 0.311E-01 RMM: 2 -0.338730192186E+03 -0.18723E-01 -0.12555E-01 5319 0.784E-01 0.116E+00 RMM: 3 -0.338720654164E+03 0.95380E-02 -0.11547E-02 5713 0.217E-01 0.225E-01 RMM: 4 -0.338720846191E+03 -0.19203E-03 -0.14694E-03 4692 0.903E-02 0.327E-01 RMM: 5 -0.338720236952E+03 0.60924E-03 -0.41372E-04 4152 0.505E-02 0.153E-01 RMM: 6 -0.338720102806E+03 0.13415E-03 -0.13884E-04 3880 0.320E-02 0.691E-02 RMM: 7 -0.338720171201E+03 -0.68395E-04 -0.98276E-05 3818 0.260E-02 0.125E-01 RMM: 8 -0.338720073576E+03 0.97625E-04 -0.54860E-05 3323 0.217E-02 0.411E-02 RMM: 9 -0.338720065807E+03 0.77693E-05 -0.14190E-05 2503 0.109E-02 8242 T= 6828. E= 0.69617333E+03 F= 0.63968719E+03 E0= 0.66951406E+03 EK= 0.56486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337237225068E+03 0.14828E+01 -0.21920E-01 8604 0.249E+01 0.325E-01 RMM: 2 -0.337258587693E+03 -0.21363E-01 -0.14176E-01 5304 0.839E-01 0.124E+00 RMM: 3 -0.337247765901E+03 0.10822E-01 -0.12996E-02 5670 0.233E-01 0.234E-01 RMM: 4 -0.337247964673E+03 -0.19877E-03 -0.16840E-03 4785 0.964E-02 0.331E-01 RMM: 5 -0.337247304999E+03 0.65967E-03 -0.43519E-04 4170 0.518E-02 0.150E-01 RMM: 6 -0.337247179611E+03 0.12539E-03 -0.13063E-04 3859 0.304E-02 0.715E-02 RMM: 7 -0.337247245244E+03 -0.65633E-04 -0.11329E-04 3872 0.276E-02 0.127E-01 RMM: 8 -0.337247145093E+03 0.10015E-03 -0.64161E-05 3432 0.229E-02 0.401E-02 RMM: 9 -0.337247139089E+03 0.60044E-05 -0.14679E-05 2510 0.111E-02 8243 T= 7320. E= 0.70195853E+03 F= 0.64139874E+03 E0= 0.67118844E+03 EK= 0.60560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336036682291E+03 0.12105E+01 -0.23181E-01 8532 0.254E+01 0.328E-01 RMM: 2 -0.336059873612E+03 -0.23191E-01 -0.15736E-01 5299 0.883E-01 0.124E+00 RMM: 3 -0.336048542878E+03 0.11331E-01 -0.14357E-02 5696 0.247E-01 0.242E-01 RMM: 4 -0.336048608310E+03 -0.65432E-04 -0.16497E-03 4806 0.938E-02 0.311E-01 RMM: 5 -0.336048068369E+03 0.53994E-03 -0.41952E-04 4271 0.503E-02 0.160E-01 RMM: 6 -0.336047922258E+03 0.14611E-03 -0.14398E-04 3882 0.319E-02 0.741E-02 RMM: 7 -0.336048005243E+03 -0.82985E-04 -0.11900E-04 3887 0.283E-02 0.137E-01 RMM: 8 -0.336047888528E+03 0.11672E-03 -0.70381E-05 3508 0.237E-02 0.441E-02 RMM: 9 -0.336047879536E+03 0.89921E-05 -0.16944E-05 2520 0.119E-02 8244 T= 7506. E= 0.70492339E+03 F= 0.64282831E+03 E0= 0.67257827E+03 EK= 0.62095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335302234575E+03 0.74565E+00 -0.23068E-01 8316 0.253E+01 0.320E-01 RMM: 2 -0.335327354631E+03 -0.25120E-01 -0.16591E-01 5149 0.919E-01 0.130E+00 RMM: 3 -0.335315268589E+03 0.12086E-01 -0.15880E-02 5648 0.263E-01 0.259E-01 RMM: 4 -0.335315123845E+03 0.14474E-03 -0.16642E-03 4968 0.942E-02 0.267E-01 RMM: 5 -0.335314749270E+03 0.37458E-03 -0.40727E-04 4238 0.505E-02 0.168E-01 RMM: 6 -0.335314600182E+03 0.14909E-03 -0.17113E-04 3885 0.350E-02 0.851E-02 RMM: 7 -0.335314698579E+03 -0.98398E-04 -0.12785E-04 3890 0.294E-02 0.149E-01 RMM: 8 -0.335314559143E+03 0.13944E-03 -0.72834E-05 3529 0.246E-02 0.429E-02 RMM: 9 -0.335314551807E+03 0.73370E-05 -0.15992E-05 2520 0.114E-02 8245 T= 7300. E= 0.70418244E+03 F= 0.64379032E+03 E0= 0.67350166E+03 EK= 0.60392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335213853582E+03 0.10071E+00 -0.21079E-01 8196 0.247E+01 0.320E-01 RMM: 2 -0.335238381508E+03 -0.24528E-01 -0.15569E-01 5107 0.909E-01 0.130E+00 RMM: 3 -0.335226035172E+03 0.12346E-01 -0.15891E-02 5605 0.271E-01 0.251E-01 RMM: 4 -0.335225835971E+03 0.19920E-03 -0.15728E-03 4991 0.908E-02 0.241E-01 RMM: 5 -0.335225554068E+03 0.28190E-03 -0.41022E-04 4332 0.515E-02 0.167E-01 RMM: 6 -0.335225426207E+03 0.12786E-03 -0.18708E-04 3895 0.365E-02 0.981E-02 RMM: 7 -0.335225534915E+03 -0.10871E-03 -0.13685E-04 3886 0.309E-02 0.161E-01 RMM: 8 -0.335225370370E+03 0.16454E-03 -0.80207E-05 3603 0.260E-02 0.406E-02 RMM: 9 -0.335225365835E+03 0.45348E-05 -0.17313E-05 2538 0.119E-02 8246 T= 6826. E= 0.70057827E+03 F= 0.64411295E+03 E0= 0.67379034E+03 EK= 0.56465E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335860385151E+03 -0.63501E+00 -0.18931E-01 7956 0.239E+01 0.302E-01 RMM: 2 -0.335883986532E+03 -0.23601E-01 -0.14267E-01 5028 0.879E-01 0.132E+00 RMM: 3 -0.335871556083E+03 0.12430E-01 -0.14665E-02 5622 0.257E-01 0.240E-01 RMM: 4 -0.335871391687E+03 0.16440E-03 -0.14774E-03 5002 0.897E-02 0.243E-01 RMM: 5 -0.335871109356E+03 0.28233E-03 -0.46549E-04 4502 0.571E-02 0.166E-01 RMM: 6 -0.335870990121E+03 0.11923E-03 -0.20175E-04 3892 0.372E-02 0.104E-01 RMM: 7 -0.335871071394E+03 -0.81273E-04 -0.13447E-04 3892 0.313E-02 0.151E-01 RMM: 8 -0.335870927407E+03 0.14399E-03 -0.69625E-05 3511 0.245E-02 0.384E-02 RMM: 9 -0.335870925628E+03 0.17792E-05 -0.14341E-05 2517 0.107E-02 8247 T= 6309. E= 0.69590221E+03 F= 0.64371012E+03 E0= 0.67336042E+03 EK= 0.52192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337210927623E+03 -0.13400E+01 -0.16986E-01 8052 0.233E+01 0.309E-01 RMM: 2 -0.337229651806E+03 -0.18724E-01 -0.12912E-01 4957 0.835E-01 0.112E+00 RMM: 3 -0.337220813320E+03 0.88385E-02 -0.13832E-02 5593 0.249E-01 0.236E-01 RMM: 4 -0.337220772379E+03 0.40941E-04 -0.14831E-03 4946 0.905E-02 0.269E-01 RMM: 5 -0.337220420595E+03 0.35178E-03 -0.46839E-04 4475 0.559E-02 0.178E-01 RMM: 6 -0.337220266678E+03 0.15392E-03 -0.23141E-04 3899 0.403E-02 0.979E-02 RMM: 7 -0.337220364147E+03 -0.97469E-04 -0.12083E-04 3849 0.302E-02 0.155E-01 RMM: 8 -0.337220211434E+03 0.15271E-03 -0.63843E-05 3448 0.235E-02 0.383E-02 RMM: 9 -0.337220210244E+03 0.11901E-05 -0.16043E-05 2525 0.115E-02 8248 T= 5935. E= 0.69170984E+03 F= 0.64261436E+03 E0= 0.67224542E+03 EK= 0.49095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339141224262E+03 -0.19210E+01 -0.16567E-01 8088 0.230E+01 0.326E-01 RMM: 2 -0.339162015258E+03 -0.20791E-01 -0.12261E-01 5011 0.803E-01 0.130E+00 RMM: 3 -0.339150300391E+03 0.11715E-01 -0.13024E-02 5560 0.243E-01 0.248E-01 RMM: 4 -0.339150415553E+03 -0.11516E-03 -0.17582E-03 4984 0.984E-02 0.314E-01 RMM: 5 -0.339149933090E+03 0.48246E-03 -0.52126E-04 4506 0.587E-02 0.188E-01 RMM: 6 -0.339149728654E+03 0.20444E-03 -0.18455E-04 3886 0.355E-02 0.762E-02 RMM: 7 -0.339149820002E+03 -0.91348E-04 -0.12016E-04 3873 0.290E-02 0.140E-01 RMM: 8 -0.339149698878E+03 0.12112E-03 -0.60363E-05 3406 0.233E-02 0.406E-02 RMM: 9 -0.339149694029E+03 0.48494E-05 -0.13714E-05 2509 0.106E-02 8249 T= 5789. E= 0.68883991E+03 F= 0.64094773E+03 E0= 0.67056629E+03 EK= 0.47892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341486088545E+03 -0.23364E+01 -0.17239E-01 8280 0.231E+01 0.361E-01 RMM: 2 -0.341506478638E+03 -0.20390E-01 -0.12492E-01 5029 0.807E-01 0.130E+00 RMM: 3 -0.341494900012E+03 0.11579E-01 -0.14153E-02 5505 0.258E-01 0.261E-01 RMM: 4 -0.341495229114E+03 -0.32910E-03 -0.20047E-03 4979 0.102E-01 0.365E-01 RMM: 5 -0.341494505604E+03 0.72351E-03 -0.52531E-04 4481 0.566E-02 0.189E-01 RMM: 6 -0.341494298174E+03 0.20743E-03 -0.20020E-04 3882 0.370E-02 0.761E-02 RMM: 7 -0.341494389587E+03 -0.91412E-04 -0.10627E-04 3792 0.271E-02 0.140E-01 RMM: 8 -0.341494269939E+03 0.11965E-03 -0.58734E-05 3387 0.223E-02 0.458E-02 RMM: 9 -0.341494261331E+03 0.86080E-05 -0.17837E-05 2534 0.123E-02 8250 T= 5880. E= 0.68751313E+03 F= 0.63887174E+03 E0= 0.66848305E+03 EK= 0.48641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344071661474E+03 -0.25774E+01 -0.18052E-01 8460 0.236E+01 0.359E-01 RMM: 2 -0.344091980866E+03 -0.20319E-01 -0.12296E-01 5079 0.787E-01 0.129E+00 RMM: 3 -0.344080293242E+03 0.11688E-01 -0.13054E-02 5497 0.243E-01 0.259E-01 RMM: 4 -0.344080832592E+03 -0.53935E-03 -0.21584E-03 5013 0.109E-01 0.403E-01 RMM: 5 -0.344079884121E+03 0.94847E-03 -0.61345E-04 4542 0.630E-02 0.174E-01 RMM: 6 -0.344079699264E+03 0.18486E-03 -0.14695E-04 3879 0.309E-02 0.654E-02 RMM: 7 -0.344079769479E+03 -0.70215E-04 -0.10780E-04 3832 0.267E-02 0.125E-01 RMM: 8 -0.344079674200E+03 0.95279E-04 -0.60593E-05 3394 0.225E-02 0.403E-02 RMM: 9 -0.344079670738E+03 0.34620E-05 -0.16083E-05 2525 0.115E-02 8251 T= 6157. E= 0.68748949E+03 F= 0.63655658E+03 E0= 0.66616387E+03 EK= 0.50933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346724137377E+03 -0.26445E+01 -0.19121E-01 8376 0.242E+01 0.369E-01 RMM: 2 -0.346742444477E+03 -0.18307E-01 -0.12364E-01 5180 0.790E-01 0.120E+00 RMM: 3 -0.346732578203E+03 0.98663E-02 -0.12839E-02 5536 0.241E-01 0.250E-01 RMM: 4 -0.346733324087E+03 -0.74588E-03 -0.20463E-03 4911 0.106E-01 0.437E-01 RMM: 5 -0.346732162348E+03 0.11617E-02 -0.60533E-04 4550 0.618E-02 0.163E-01 RMM: 6 -0.346732006846E+03 0.15550E-03 -0.15839E-04 3880 0.321E-02 0.693E-02 RMM: 7 -0.346732067545E+03 -0.60699E-04 -0.86775E-05 3683 0.245E-02 0.121E-01 RMM: 8 -0.346731975137E+03 0.92408E-04 -0.57786E-05 3339 0.213E-02 0.390E-02 RMM: 9 -0.346731973519E+03 0.16176E-05 -0.20410E-05 2562 0.131E-02 8252 T= 6519. E= 0.68810666E+03 F= 0.63417339E+03 E0= 0.66377742E+03 EK= 0.53933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349278332774E+03 -0.25464E+01 -0.19578E-01 8556 0.247E+01 0.342E-01 RMM: 2 -0.349292095810E+03 -0.13763E-01 -0.11449E-01 5295 0.745E-01 0.905E-01 RMM: 3 -0.349286254781E+03 0.58410E-02 -0.10171E-02 5654 0.204E-01 0.259E-01 RMM: 4 -0.349286939476E+03 -0.68469E-03 -0.17618E-03 4757 0.101E-01 0.434E-01 RMM: 5 -0.349285726184E+03 0.12133E-02 -0.65508E-04 4580 0.658E-02 0.122E-01 RMM: 6 -0.349285647786E+03 0.78398E-04 -0.10651E-04 3773 0.259E-02 0.682E-02 RMM: 7 -0.349285688996E+03 -0.41210E-04 -0.82491E-05 3691 0.234E-02 0.111E-01 RMM: 8 -0.349285613470E+03 0.75526E-04 -0.50757E-05 3269 0.208E-02 0.322E-02 RMM: 9 -0.349285618577E+03 -0.51068E-05 -0.17081E-05 2521 0.118E-02 8253 T= 6827. E= 0.68836520E+03 F= 0.63188724E+03 E0= 0.66148665E+03 EK= 0.56478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351594564331E+03 -0.23090E+01 -0.20133E-01 8256 0.249E+01 0.351E-01 RMM: 2 -0.351609746372E+03 -0.15182E-01 -0.12159E-01 5240 0.775E-01 0.987E-01 RMM: 3 -0.351602993636E+03 0.67527E-02 -0.11910E-02 5669 0.222E-01 0.238E-01 RMM: 4 -0.351603763969E+03 -0.77033E-03 -0.17890E-03 4830 0.100E-01 0.443E-01 RMM: 5 -0.351602547184E+03 0.12168E-02 -0.61826E-04 4580 0.634E-02 0.140E-01 RMM: 6 -0.351602438781E+03 0.10840E-03 -0.13858E-04 3872 0.298E-02 0.687E-02 RMM: 7 -0.351602495313E+03 -0.56532E-04 -0.77282E-05 3633 0.234E-02 0.118E-01 RMM: 8 -0.351602406265E+03 0.89048E-04 -0.47166E-05 3192 0.202E-02 0.315E-02 RMM: 9 -0.351602409141E+03 -0.28761E-05 -0.17581E-05 2518 0.119E-02 8254 T= 6946. E= 0.68729834E+03 F= 0.62983822E+03 E0= 0.65942973E+03 EK= 0.57460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353587400868E+03 -0.19850E+01 -0.19342E-01 8292 0.247E+01 0.318E-01 RMM: 2 -0.353599346331E+03 -0.11945E-01 -0.10716E-01 5276 0.708E-01 0.767E-01 RMM: 3 -0.353594797526E+03 0.45488E-02 -0.87951E-03 5598 0.191E-01 0.240E-01 RMM: 4 -0.353595445754E+03 -0.64823E-03 -0.15202E-03 4771 0.946E-02 0.411E-01 RMM: 5 -0.353594331010E+03 0.11147E-02 -0.59654E-04 4573 0.630E-02 0.104E-01 RMM: 6 -0.353594297368E+03 0.33642E-04 -0.11364E-04 3831 0.271E-02 0.819E-02 RMM: 7 -0.353594323137E+03 -0.25769E-04 -0.67144E-05 3540 0.221E-02 0.107E-01 RMM: 8 -0.353594252531E+03 0.70606E-04 -0.39601E-05 3105 0.192E-02 0.270E-02 RMM: 9 -0.353594258417E+03 -0.58860E-05 -0.13888E-05 2488 0.105E-02 8255 T= 6821. E= 0.68454501E+03 F= 0.62811779E+03 E0= 0.65769781E+03 EK= 0.56427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355227557378E+03 -0.16333E+01 -0.18586E-01 8148 0.242E+01 0.318E-01 RMM: 2 -0.355240314815E+03 -0.12757E-01 -0.10530E-01 5171 0.712E-01 0.871E-01 RMM: 3 -0.355234813956E+03 0.55009E-02 -0.96693E-03 5597 0.200E-01 0.220E-01 RMM: 4 -0.355235544119E+03 -0.73016E-03 -0.15639E-03 4836 0.949E-02 0.422E-01 RMM: 5 -0.355234455667E+03 0.10885E-02 -0.57902E-04 4581 0.626E-02 0.139E-01 RMM: 6 -0.355234357537E+03 0.98130E-04 -0.14544E-04 3874 0.309E-02 0.758E-02 RMM: 7 -0.355234411954E+03 -0.54417E-04 -0.78588E-05 3618 0.245E-02 0.118E-01 RMM: 8 -0.355234321468E+03 0.90486E-04 -0.42745E-05 3150 0.201E-02 0.259E-02 RMM: 9 -0.355234325782E+03 -0.43140E-05 -0.14045E-05 2490 0.106E-02 8256 T= 6511. E= 0.68061835E+03 F= 0.62675625E+03 E0= 0.65632095E+03 EK= 0.53862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356540673628E+03 -0.13064E+01 -0.16739E-01 8352 0.234E+01 0.289E-01 RMM: 2 -0.356549281214E+03 -0.86076E-02 -0.85652E-02 5215 0.628E-01 0.590E-01 RMM: 3 -0.356546377895E+03 0.29033E-02 -0.68699E-03 5547 0.172E-01 0.233E-01 RMM: 4 -0.356546951090E+03 -0.57320E-03 -0.12643E-03 4707 0.875E-02 0.395E-01 RMM: 5 -0.356545938306E+03 0.10128E-02 -0.57836E-04 4554 0.627E-02 0.909E-02 RMM: 6 -0.356545957922E+03 -0.19616E-04 -0.12941E-04 3866 0.294E-02 8257 T= 6145. E= 0.67656737E+03 F= 0.62573223E+03 E0= 0.65527857E+03 EK= 0.50835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357572208227E+03 -0.10263E+01 -0.15268E-01 8424 0.227E+01 0.396E-01 RMM: 2 -0.357593998062E+03 -0.21790E-01 -0.79276E-02 5144 0.636E-01 0.160E+00 RMM: 3 -0.357576669170E+03 0.17329E-01 -0.11498E-02 5356 0.256E-01 0.309E-01 RMM: 4 -0.357576787474E+03 -0.11830E-03 -0.20109E-03 4950 0.102E-01 0.350E-01 RMM: 5 -0.357576333739E+03 0.45374E-03 -0.71773E-04 4599 0.683E-02 0.258E-01 RMM: 6 -0.357575937422E+03 0.39632E-03 -0.34556E-04 3955 0.495E-02 0.958E-02 RMM: 7 -0.357576008034E+03 -0.70612E-04 -0.13782E-04 3882 0.320E-02 0.141E-01 RMM: 8 -0.357575889606E+03 0.11843E-03 -0.76109E-05 3604 0.262E-02 0.472E-02 RMM: 9 -0.357575884724E+03 0.48822E-05 -0.18353E-05 2561 0.128E-02 8258 T= 5851. E= 0.67339970E+03 F= 0.62499837E+03 E0= 0.65452546E+03 EK= 0.48401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358367467192E+03 -0.79158E+00 -0.14366E-01 8304 0.223E+01 0.367E-01 RMM: 2 -0.358389243407E+03 -0.21776E-01 -0.65502E-02 5199 0.577E-01 0.164E+00 RMM: 3 -0.358370955203E+03 0.18288E-01 -0.10013E-02 5357 0.242E-01 0.329E-01 RMM: 4 -0.358370695910E+03 0.25929E-03 -0.20057E-03 4891 0.104E-01 0.289E-01 RMM: 5 -0.358370521329E+03 0.17458E-03 -0.54172E-04 4562 0.623E-02 0.248E-01 RMM: 6 -0.358370114582E+03 0.40675E-03 -0.19184E-04 3890 0.370E-02 0.500E-02 RMM: 7 -0.358370164799E+03 -0.50217E-04 -0.81108E-05 3599 0.239E-02 0.102E-01 RMM: 8 -0.358370099932E+03 0.64868E-04 -0.36808E-05 3072 0.196E-02 0.272E-02 RMM: 9 -0.358370097853E+03 0.20783E-05 -0.79007E-06 2466 0.808E-03 8259 T= 5711. E= 0.67175456E+03 F= 0.62450544E+03 E0= 0.65401239E+03 EK= 0.47249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358952814455E+03 -0.58271E+00 -0.14450E-01 8172 0.221E+01 0.326E-01 RMM: 2 -0.358964147033E+03 -0.11333E-01 -0.67897E-02 5109 0.572E-01 0.102E+00 RMM: 3 -0.358956862069E+03 0.72850E-02 -0.73319E-03 5386 0.191E-01 0.242E-01 RMM: 4 -0.358957426418E+03 -0.56435E-03 -0.16956E-03 4770 0.983E-02 0.390E-01 RMM: 5 -0.358956524777E+03 0.90164E-03 -0.61215E-04 4597 0.645E-02 0.165E-01 RMM: 6 -0.358956378471E+03 0.14631E-03 -0.15828E-04 3876 0.328E-02 0.782E-02 RMM: 7 -0.358956416802E+03 -0.38330E-04 -0.82516E-05 3642 0.255E-02 0.111E-01 RMM: 8 -0.358956338053E+03 0.78748E-04 -0.43004E-05 3182 0.202E-02 0.289E-02 RMM: 9 -0.358956342300E+03 -0.42473E-05 -0.13135E-05 2490 0.103E-02 8260 T= 5761. E= 0.67187820E+03 F= 0.62422054E+03 E0= 0.65370777E+03 EK= 0.47658E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359338277451E+03 -0.38194E+00 -0.14308E-01 8184 0.223E+01 0.305E-01 RMM: 2 -0.359346579388E+03 -0.83019E-02 -0.59148E-02 5177 0.542E-01 0.847E-01 RMM: 3 -0.359341558678E+03 0.50207E-02 -0.59291E-03 5413 0.171E-01 0.210E-01 RMM: 4 -0.359342299104E+03 -0.74043E-03 -0.13113E-03 4629 0.870E-02 0.406E-01 RMM: 5 -0.359341263532E+03 0.10356E-02 -0.52527E-04 4520 0.598E-02 0.122E-01 RMM: 6 -0.359341189369E+03 0.74163E-04 -0.11801E-04 3830 0.281E-02 0.663E-02 RMM: 7 -0.359341227340E+03 -0.37972E-04 -0.52424E-05 3313 0.204E-02 0.102E-01 RMM: 8 -0.359341161794E+03 0.65546E-04 -0.30102E-05 2925 0.176E-02 0.204E-02 RMM: 9 -0.359341169877E+03 -0.80824E-05 -0.10739E-05 2476 0.900E-03 8261 T= 5988. E= 0.67367221E+03 F= 0.62413173E+03 E0= 0.65360054E+03 EK= 0.49540E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359505895243E+03 -0.16473E+00 -0.15537E-01 8160 0.228E+01 0.292E-01 RMM: 2 -0.359513723779E+03 -0.78285E-02 -0.73062E-02 5043 0.597E-01 0.643E-01 RMM: 3 -0.359510798406E+03 0.29254E-02 -0.70583E-03 5507 0.173E-01 0.244E-01 RMM: 4 -0.359511283197E+03 -0.48479E-03 -0.13367E-03 4719 0.890E-02 0.381E-01 RMM: 5 -0.359510348246E+03 0.93495E-03 -0.56318E-04 4489 0.613E-02 0.103E-01 RMM: 6 -0.359510307467E+03 0.40779E-04 -0.95007E-05 3719 0.254E-02 0.733E-02 RMM: 7 -0.359510309484E+03 -0.20169E-05 -0.43493E-05 3126 0.191E-02 8262 T= 6337. E= 0.67667590E+03 F= 0.62424936E+03 E0= 0.65370246E+03 EK= 0.52427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359435187359E+03 0.75120E-01 -0.16232E-01 8076 0.234E+01 0.297E-01 RMM: 2 -0.359442005246E+03 -0.68179E-02 -0.69124E-02 5178 0.587E-01 0.575E-01 RMM: 3 -0.359439806572E+03 0.21987E-02 -0.64306E-03 5559 0.163E-01 0.266E-01 RMM: 4 -0.359440330861E+03 -0.52429E-03 -0.11949E-03 4648 0.840E-02 0.403E-01 RMM: 5 -0.359439258724E+03 0.10721E-02 -0.55504E-04 4488 0.607E-02 0.872E-02 RMM: 6 -0.359439254991E+03 0.37328E-05 -0.98311E-05 3682 0.254E-02 8263 T= 6700. E= 0.68002767E+03 F= 0.62459653E+03 E0= 0.65403657E+03 EK= 0.55431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359110171725E+03 0.32909E+00 -0.16652E-01 8064 0.239E+01 0.377E-01 RMM: 2 -0.359131708275E+03 -0.21537E-01 -0.84904E-02 5007 0.668E-01 0.155E+00 RMM: 3 -0.359115506285E+03 0.16202E-01 -0.12854E-02 5377 0.267E-01 0.271E-01 RMM: 4 -0.359115675046E+03 -0.16876E-03 -0.19513E-03 4930 0.972E-02 0.330E-01 RMM: 5 -0.359115139618E+03 0.53543E-03 -0.50111E-04 4475 0.558E-02 0.187E-01 RMM: 6 -0.359114927488E+03 0.21213E-03 -0.18453E-04 3885 0.361E-02 0.646E-02 RMM: 7 -0.359114974629E+03 -0.47141E-04 -0.65631E-05 3452 0.221E-02 0.106E-01 RMM: 8 -0.359114907628E+03 0.67001E-04 -0.33698E-05 2971 0.185E-02 0.366E-02 RMM: 9 -0.359114904696E+03 0.29313E-05 -0.13040E-05 2489 0.104E-02 8264 T= 6942. E= 0.68261879E+03 F= 0.62518769E+03 E0= 0.65461858E+03 EK= 0.57431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358551118621E+03 0.56379E+00 -0.16572E-01 7944 0.241E+01 0.342E-01 RMM: 2 -0.358570543428E+03 -0.19425E-01 -0.73987E-02 5084 0.621E-01 0.148E+00 RMM: 3 -0.358555760793E+03 0.14783E-01 -0.10543E-02 5369 0.244E-01 0.295E-01 RMM: 4 -0.358555654150E+03 0.10664E-03 -0.18088E-03 4894 0.963E-02 0.283E-01 RMM: 5 -0.358555341205E+03 0.31295E-03 -0.45327E-04 4448 0.563E-02 0.196E-01 RMM: 6 -0.358555089662E+03 0.25154E-03 -0.13697E-04 3874 0.315E-02 0.490E-02 RMM: 7 -0.358555128415E+03 -0.38752E-04 -0.67543E-05 3446 0.218E-02 0.943E-02 RMM: 8 -0.358555071942E+03 0.56472E-04 -0.33317E-05 2995 0.191E-02 0.250E-02 RMM: 9 -0.358555070850E+03 0.10922E-05 -0.79444E-06 2463 0.799E-03 8265 T= 6960. E= 0.68358232E+03 F= 0.62600838E+03 E0= 0.65543459E+03 EK= 0.57574E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357808801344E+03 0.74627E+00 -0.16942E-01 7812 0.239E+01 0.288E-01 RMM: 2 -0.357822357266E+03 -0.13556E-01 -0.89956E-02 4956 0.673E-01 0.995E-01 RMM: 3 -0.357815302625E+03 0.70546E-02 -0.94274E-03 5451 0.205E-01 0.202E-01 RMM: 4 -0.357815620797E+03 -0.31817E-03 -0.13847E-03 4787 0.876E-02 0.320E-01 RMM: 5 -0.357815012703E+03 0.60809E-03 -0.47756E-04 4540 0.576E-02 0.134E-01 RMM: 6 -0.357814930985E+03 0.81718E-04 -0.13135E-04 3874 0.298E-02 0.827E-02 RMM: 7 -0.357814942555E+03 -0.11571E-04 -0.65300E-05 3480 0.235E-02 8266 T= 6747. E= 0.68282702E+03 F= 0.62700741E+03 E0= 0.65643262E+03 EK= 0.55820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356975894059E+03 0.83904E+00 -0.16124E-01 7800 0.234E+01 0.268E-01 RMM: 2 -0.356984713417E+03 -0.88194E-02 -0.72238E-02 5130 0.615E-01 0.726E-01 RMM: 3 -0.356980965354E+03 0.37481E-02 -0.66972E-03 5545 0.171E-01 0.205E-01 RMM: 4 -0.356981294868E+03 -0.32951E-03 -0.10674E-03 4651 0.810E-02 0.325E-01 RMM: 5 -0.356980655137E+03 0.63973E-03 -0.53005E-04 4590 0.619E-02 0.126E-01 RMM: 6 -0.356980639460E+03 0.15677E-04 -0.17630E-04 3884 0.341E-02 8267 T= 6404. E= 0.68108013E+03 F= 0.62810181E+03 E0= 0.65752797E+03 EK= 0.52978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356139048553E+03 0.84161E+00 -0.15662E-01 7836 0.228E+01 0.379E-01 RMM: 2 -0.356167056673E+03 -0.28008E-01 -0.96708E-02 4899 0.743E-01 0.178E+00 RMM: 3 -0.356145657150E+03 0.21400E-01 -0.15791E-02 5351 0.303E-01 0.307E-01 RMM: 4 -0.356145155269E+03 0.50188E-03 -0.17882E-03 4899 0.877E-02 0.189E-01 RMM: 5 -0.356145201522E+03 -0.46252E-04 -0.68118E-04 4608 0.712E-02 0.230E-01 RMM: 6 -0.356144902102E+03 0.29942E-03 -0.33375E-04 4000 0.490E-02 0.928E-02 RMM: 7 -0.356144998898E+03 -0.96796E-04 -0.13403E-04 3866 0.322E-02 0.153E-01 RMM: 8 -0.356144854245E+03 0.14465E-03 -0.74603E-05 3585 0.261E-02 0.422E-02 RMM: 9 -0.356144852986E+03 0.12584E-05 -0.15824E-05 2537 0.117E-02 8268 T= 6068. E= 0.67939906E+03 F= 0.62920004E+03 E0= 0.65863109E+03 EK= 0.50199E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355377964340E+03 0.76689E+00 -0.14175E-01 7776 0.224E+01 0.344E-01 RMM: 2 -0.355402085368E+03 -0.24121E-01 -0.72934E-02 5065 0.632E-01 0.169E+00 RMM: 3 -0.355382621668E+03 0.19464E-01 -0.11921E-02 5357 0.265E-01 0.296E-01 RMM: 4 -0.355382224664E+03 0.39700E-03 -0.16212E-03 4779 0.883E-02 0.202E-01 RMM: 5 -0.355382190139E+03 0.34526E-04 -0.44261E-04 4570 0.567E-02 0.207E-01 RMM: 6 -0.355381914675E+03 0.27546E-03 -0.17154E-04 3884 0.351E-02 0.615E-02 RMM: 7 -0.355381961034E+03 -0.46360E-04 -0.81257E-05 3582 0.243E-02 0.105E-01 RMM: 8 -0.355381891113E+03 0.69921E-04 -0.35163E-05 3050 0.194E-02 0.285E-02 RMM: 9 -0.355381887395E+03 0.37189E-05 -0.71146E-06 2463 0.783E-03 8269 T= 5854. E= 0.67865510E+03 F= 0.63022666E+03 E0= 0.65966418E+03 EK= 0.48428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354729569798E+03 0.65232E+00 -0.14189E-01 8112 0.222E+01 0.295E-01 RMM: 2 -0.354743816889E+03 -0.14247E-01 -0.73522E-02 4945 0.642E-01 0.116E+00 RMM: 3 -0.354734662257E+03 0.91546E-02 -0.86822E-03 5389 0.208E-01 0.221E-01 RMM: 4 -0.354734748833E+03 -0.86576E-04 -0.12911E-03 4694 0.831E-02 0.274E-01 RMM: 5 -0.354734379736E+03 0.36910E-03 -0.54815E-04 4585 0.634E-02 0.166E-01 RMM: 6 -0.354734248614E+03 0.13112E-03 -0.18811E-04 3888 0.356E-02 0.905E-02 RMM: 7 -0.354734274129E+03 -0.25515E-04 -0.88396E-05 3716 0.277E-02 0.112E-01 RMM: 8 -0.354734196203E+03 0.77926E-04 -0.39109E-05 3138 0.193E-02 0.296E-02 RMM: 9 -0.354734200997E+03 -0.47937E-05 -0.12216E-05 2488 0.988E-03 8270 T= 5825. E= 0.67932675E+03 F= 0.63113612E+03 E0= 0.66058234E+03 EK= 0.48191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354211215143E+03 0.52298E+00 -0.13757E-01 8196 0.224E+01 0.260E-01 RMM: 2 -0.354220004913E+03 -0.87898E-02 -0.60164E-02 5067 0.571E-01 0.835E-01 RMM: 3 -0.354215203112E+03 0.48018E-02 -0.63677E-03 5429 0.174E-01 0.190E-01 RMM: 4 -0.354215501865E+03 -0.29875E-03 -0.10436E-03 4619 0.772E-02 0.295E-01 RMM: 5 -0.354215000356E+03 0.50151E-03 -0.35078E-04 4056 0.490E-02 0.135E-01 RMM: 6 -0.354214903264E+03 0.97092E-04 -0.12238E-04 3867 0.304E-02 0.654E-02 RMM: 7 -0.354214942441E+03 -0.39176E-04 -0.52879E-05 3298 0.206E-02 0.997E-02 RMM: 8 -0.354214879703E+03 0.62738E-04 -0.29190E-05 2898 0.179E-02 0.219E-02 RMM: 9 -0.354214883924E+03 -0.42210E-05 -0.97528E-06 2462 0.882E-03 8271 T= 5994. E= 0.68149545E+03 F= 0.63191154E+03 E0= 0.66136892E+03 EK= 0.49584E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353806938121E+03 0.40794E+00 -0.14236E-01 8052 0.229E+01 0.257E-01 RMM: 2 -0.353814707287E+03 -0.77692E-02 -0.66808E-02 5001 0.599E-01 0.679E-01 RMM: 3 -0.353811578294E+03 0.31290E-02 -0.67643E-03 5573 0.166E-01 0.180E-01 RMM: 4 -0.353812043013E+03 -0.46472E-03 -0.10488E-03 4642 0.796E-02 0.345E-01 RMM: 5 -0.353811278824E+03 0.76419E-03 -0.42598E-04 4282 0.533E-02 0.869E-02 RMM: 6 -0.353811270036E+03 0.87882E-05 -0.86716E-05 3623 0.245E-02 8272 T= 6319. E= 0.68483967E+03 F= 0.63256257E+03 E0= 0.66203407E+03 EK= 0.52277E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353487936841E+03 0.32334E+00 -0.14920E-01 8184 0.236E+01 0.335E-01 RMM: 2 -0.353504024396E+03 -0.16088E-01 -0.67313E-02 5175 0.611E-01 0.134E+00 RMM: 3 -0.353492091535E+03 0.11933E-01 -0.90368E-03 5355 0.223E-01 0.258E-01 RMM: 4 -0.353492310991E+03 -0.21946E-03 -0.15690E-03 4695 0.896E-02 0.323E-01 RMM: 5 -0.353491745196E+03 0.56580E-03 -0.42237E-04 4187 0.514E-02 0.164E-01 RMM: 6 -0.353491585934E+03 0.15926E-03 -0.15837E-04 3881 0.343E-02 0.674E-02 RMM: 7 -0.353491648113E+03 -0.62179E-04 -0.79214E-05 3585 0.239E-02 0.120E-01 RMM: 8 -0.353491560705E+03 0.87408E-04 -0.41006E-05 3111 0.202E-02 0.360E-02 RMM: 9 -0.353491559498E+03 0.12072E-05 -0.14422E-05 2500 0.108E-02 8273 T= 6704. E= 0.68857821E+03 F= 0.63311988E+03 E0= 0.66261088E+03 EK= 0.55458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353213086057E+03 0.27847E+00 -0.16126E-01 8064 0.242E+01 0.313E-01 RMM: 2 -0.353228562008E+03 -0.15476E-01 -0.71642E-02 5132 0.637E-01 0.128E+00 RMM: 3 -0.353217673458E+03 0.10889E-01 -0.89375E-03 5367 0.220E-01 0.258E-01 RMM: 4 -0.353217723770E+03 -0.50312E-04 -0.16082E-03 4742 0.919E-02 0.285E-01 RMM: 5 -0.353217313065E+03 0.41070E-03 -0.36580E-04 3998 0.489E-02 0.156E-01 RMM: 6 -0.353217154522E+03 0.15854E-03 -0.10482E-04 3798 0.288E-02 0.412E-02 RMM: 7 -0.353217182848E+03 -0.28326E-04 -0.40169E-05 3066 0.175E-02 0.829E-02 RMM: 8 -0.353217141944E+03 0.40904E-04 -0.27721E-05 2672 0.174E-02 0.256E-02 RMM: 9 -0.353217141581E+03 0.36375E-06 -0.89742E-06 2453 0.857E-03 8274 T= 7003. E= 0.69155625E+03 F= 0.63362334E+03 E0= 0.66313808E+03 EK= 0.57933E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352954115597E+03 0.26303E+00 -0.17476E-01 7968 0.245E+01 0.292E-01 RMM: 2 -0.352969179538E+03 -0.15064E-01 -0.88953E-02 4972 0.702E-01 0.113E+00 RMM: 3 -0.352960513009E+03 0.86665E-02 -0.99946E-03 5444 0.216E-01 0.209E-01 RMM: 4 -0.352960875969E+03 -0.36296E-03 -0.14536E-03 4792 0.886E-02 0.332E-01 RMM: 5 -0.352960260798E+03 0.61517E-03 -0.40940E-04 4268 0.510E-02 0.143E-01 RMM: 6 -0.352960136406E+03 0.12439E-03 -0.10619E-04 3732 0.273E-02 0.547E-02 RMM: 7 -0.352960171742E+03 -0.35336E-04 -0.63323E-05 3413 0.215E-02 0.963E-02 RMM: 8 -0.352960114567E+03 0.57175E-04 -0.34726E-05 3010 0.190E-02 0.272E-02 RMM: 9 -0.352960116934E+03 -0.23663E-05 -0.11095E-05 2472 0.933E-03 8275 T= 7083. E= 0.69270327E+03 F= 0.63410400E+03 E0= 0.66364781E+03 EK= 0.58599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352714983677E+03 0.24513E+00 -0.17328E-01 8088 0.244E+01 0.261E-01 RMM: 2 -0.352724431659E+03 -0.94480E-02 -0.68158E-02 5085 0.625E-01 0.847E-01 RMM: 3 -0.352719656883E+03 0.47748E-02 -0.71069E-03 5481 0.181E-01 0.176E-01 RMM: 4 -0.352719991436E+03 -0.33455E-03 -0.10509E-03 4633 0.782E-02 0.303E-01 RMM: 5 -0.352719449777E+03 0.54166E-03 -0.33773E-04 4034 0.473E-02 0.124E-01 RMM: 6 -0.352719377473E+03 0.72304E-04 -0.11325E-04 3768 0.290E-02 0.696E-02 RMM: 7 -0.352719415202E+03 -0.37729E-04 -0.50999E-05 3266 0.202E-02 0.103E-01 RMM: 8 -0.352719348271E+03 0.66931E-04 -0.31008E-05 2914 0.182E-02 0.213E-02 RMM: 9 -0.352719354075E+03 -0.58045E-05 -0.10446E-05 2464 0.902E-03 8276 T= 6905. E= 0.69169304E+03 F= 0.63456701E+03 E0= 0.66414380E+03 EK= 0.57126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352516052785E+03 0.20330E+00 -0.17059E-01 7764 0.239E+01 0.237E-01 RMM: 2 -0.352527311571E+03 -0.11259E-01 -0.82706E-02 4891 0.680E-01 0.858E-01 RMM: 3 -0.352522344462E+03 0.49671E-02 -0.88610E-03 5614 0.189E-01 0.172E-01 RMM: 4 -0.352522517378E+03 -0.17292E-03 -0.10148E-03 4698 0.781E-02 0.272E-01 RMM: 5 -0.352522107255E+03 0.41012E-03 -0.36495E-04 4310 0.507E-02 0.125E-01 RMM: 6 -0.352522041463E+03 0.65792E-04 -0.12558E-04 3854 0.296E-02 0.802E-02 RMM: 7 -0.352522053936E+03 -0.12474E-04 -0.57217E-05 3403 0.223E-02 8277 T= 6551. E= 0.68918113E+03 F= 0.63498875E+03 E0= 0.66460120E+03 EK= 0.54192E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352406547422E+03 0.11549E+00 -0.15807E-01 7740 0.232E+01 0.248E-01 RMM: 2 -0.352414063543E+03 -0.75161E-02 -0.64496E-02 5122 0.613E-01 0.675E-01 RMM: 3 -0.352411151590E+03 0.29120E-02 -0.65909E-03 5636 0.163E-01 0.175E-01 RMM: 4 -0.352411392017E+03 -0.24043E-03 -0.85829E-04 4625 0.735E-02 0.292E-01 RMM: 5 -0.352410862725E+03 0.52929E-03 -0.42201E-04 4456 0.552E-02 0.109E-01 RMM: 6 -0.352410908087E+03 -0.45361E-04 -0.17000E-04 3876 0.339E-02 0.137E-01 RMM: 7 -0.352410839044E+03 0.69043E-04 -0.74886E-05 3624 0.266E-02 0.896E-02 RMM: 8 -0.352410790464E+03 0.48580E-04 -0.27819E-05 2910 0.162E-02 0.282E-02 RMM: 9 -0.352410803587E+03 -0.13123E-04 -0.15434E-05 2500 0.112E-02 8278 T= 6167. E= 0.68634744E+03 F= 0.63532865E+03 E0= 0.66497789E+03 EK= 0.51019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352424220041E+03 -0.13430E-01 -0.15223E-01 7776 0.226E+01 0.228E-01 RMM: 2 -0.352434695210E+03 -0.10475E-01 -0.66975E-02 5006 0.627E-01 0.927E-01 RMM: 3 -0.352429145117E+03 0.55501E-02 -0.73011E-03 5508 0.178E-01 0.168E-01 RMM: 4 -0.352429184362E+03 -0.39245E-04 -0.80518E-04 4614 0.672E-02 0.216E-01 RMM: 5 -0.352428942651E+03 0.24171E-03 -0.33610E-04 4314 0.506E-02 0.124E-01 RMM: 6 -0.352428882166E+03 0.60485E-04 -0.14046E-04 3876 0.316E-02 0.798E-02 RMM: 7 -0.352428909533E+03 -0.27367E-04 -0.56047E-05 3385 0.221E-02 0.102E-01 RMM: 8 -0.352428842798E+03 0.66735E-04 -0.27350E-05 2903 0.169E-02 0.187E-02 RMM: 9 -0.352428844390E+03 -0.15917E-05 -0.59754E-06 2445 0.687E-03 8279 T= 5888. E= 0.68425067E+03 F= 0.63554320E+03 E0= 0.66522919E+03 EK= 0.48707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352599475951E+03 -0.17063E+00 -0.14304E-01 7824 0.222E+01 0.235E-01 RMM: 2 -0.352604904745E+03 -0.54288E-02 -0.50954E-02 5166 0.537E-01 0.567E-01 RMM: 3 -0.352602880117E+03 0.20246E-02 -0.48723E-03 5601 0.139E-01 0.164E-01 RMM: 4 -0.352603214636E+03 -0.33452E-03 -0.84632E-04 4618 0.744E-02 0.305E-01 RMM: 5 -0.352602628724E+03 0.58591E-03 -0.37656E-04 4101 0.513E-02 0.964E-02 RMM: 6 -0.352602644441E+03 -0.15716E-04 -0.13089E-04 3862 0.305E-02 8280 T= 5792. E= 0.68351768E+03 F= 0.63560363E+03 E0= 0.66532442E+03 EK= 0.47914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352934428378E+03 -0.33180E+00 -0.14332E-01 7644 0.222E+01 0.366E-01 RMM: 2 -0.352958573191E+03 -0.24145E-01 -0.67199E-02 5093 0.638E-01 0.175E+00 RMM: 3 -0.352938297440E+03 0.20276E-01 -0.11455E-02 5334 0.263E-01 0.299E-01 RMM: 4 -0.352937984299E+03 0.31314E-03 -0.15551E-03 4694 0.846E-02 0.226E-01 RMM: 5 -0.352937984921E+03 -0.62221E-06 -0.51255E-04 4580 0.580E-02 0.242E-01 RMM: 6 -0.352937630370E+03 0.35455E-03 -0.26153E-04 3888 0.427E-02 0.774E-02 RMM: 7 -0.352937693267E+03 -0.62897E-04 -0.11616E-04 3814 0.292E-02 0.124E-01 RMM: 8 -0.352937604521E+03 0.88746E-04 -0.51418E-05 3304 0.224E-02 0.417E-02 RMM: 9 -0.352937599454E+03 0.50679E-05 -0.14035E-05 2501 0.111E-02 8281 T= 5903. E= 0.68433393E+03 F= 0.63550101E+03 E0= 0.66525811E+03 EK= 0.48833E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353414465009E+03 -0.47686E+00 -0.14072E-01 7740 0.225E+01 0.311E-01 RMM: 2 -0.353433311276E+03 -0.18846E-01 -0.48601E-02 5233 0.533E-01 0.154E+00 RMM: 3 -0.353417191013E+03 0.16120E-01 -0.81772E-03 5335 0.222E-01 0.282E-01 RMM: 4 -0.353417008376E+03 0.18264E-03 -0.15207E-03 4648 0.883E-02 0.244E-01 RMM: 5 -0.353416859129E+03 0.14925E-03 -0.32105E-04 3968 0.469E-02 0.199E-01 RMM: 6 -0.353416595703E+03 0.26343E-03 -0.12831E-04 3844 0.327E-02 0.363E-02 RMM: 7 -0.353416610162E+03 -0.14459E-04 -0.31049E-05 2906 0.156E-02 8282 T= 6193. E= 0.68648011E+03 F= 0.63524917E+03 E0= 0.66504162E+03 EK= 0.51231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353996136527E+03 -0.57954E+00 -0.15068E-01 7920 0.231E+01 0.292E-01 RMM: 2 -0.354007436688E+03 -0.11300E-01 -0.61310E-02 5158 0.592E-01 0.106E+00 RMM: 3 -0.353999984762E+03 0.74519E-02 -0.68813E-03 5393 0.184E-01 0.199E-01 RMM: 4 -0.354000483801E+03 -0.49904E-03 -0.12719E-03 4679 0.840E-02 0.348E-01 RMM: 5 -0.353999767015E+03 0.71679E-03 -0.38494E-04 4060 0.499E-02 0.143E-01 RMM: 6 -0.353999646259E+03 0.12076E-03 -0.11959E-04 3811 0.299E-02 0.584E-02 RMM: 7 -0.353999697711E+03 -0.51452E-04 -0.66327E-05 3467 0.219E-02 0.109E-01 RMM: 8 -0.353999623096E+03 0.74615E-04 -0.38295E-05 3067 0.196E-02 0.296E-02 RMM: 9 -0.353999622286E+03 0.80957E-06 -0.10841E-05 2471 0.941E-03 8283 T= 6577. E= 0.68929577E+03 F= 0.63488630E+03 E0= 0.66471475E+03 EK= 0.54409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354629154234E+03 -0.62953E+00 -0.15610E-01 8016 0.237E+01 0.269E-01 RMM: 2 -0.354637161997E+03 -0.80078E-02 -0.57415E-02 5231 0.592E-01 0.844E-01 RMM: 3 -0.354632698512E+03 0.44635E-02 -0.58357E-03 5422 0.166E-01 0.166E-01 RMM: 4 -0.354633229296E+03 -0.53078E-03 -0.99056E-04 4613 0.760E-02 0.336E-01 RMM: 5 -0.354632484056E+03 0.74524E-03 -0.34017E-04 3923 0.464E-02 0.847E-02 RMM: 6 -0.354632451794E+03 0.32262E-04 -0.69702E-05 3471 0.230E-02 0.548E-02 RMM: 7 -0.354632473576E+03 -0.21782E-04 -0.39495E-05 3006 0.178E-02 0.825E-02 RMM: 8 -0.354632432981E+03 0.40595E-04 -0.26188E-05 2658 0.163E-02 0.198E-02 RMM: 9 -0.354632436998E+03 -0.40168E-05 -0.88987E-06 2446 0.842E-03 8284 T= 6919. E= 0.69170318E+03 F= 0.63446684E+03 E0= 0.66433238E+03 EK= 0.57236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355256151990E+03 -0.62372E+00 -0.16681E-01 7896 0.240E+01 0.269E-01 RMM: 2 -0.355265188505E+03 -0.90365E-02 -0.63970E-02 5172 0.614E-01 0.867E-01 RMM: 3 -0.355260377526E+03 0.48110E-02 -0.64681E-03 5461 0.171E-01 0.188E-01 RMM: 4 -0.355260834508E+03 -0.45698E-03 -0.11433E-03 4655 0.819E-02 0.334E-01 RMM: 5 -0.355260143274E+03 0.69123E-03 -0.35792E-04 3980 0.480E-02 0.118E-01 RMM: 6 -0.355260062407E+03 0.80867E-04 -0.80410E-05 3574 0.248E-02 0.517E-02 RMM: 7 -0.355260097481E+03 -0.35074E-04 -0.57839E-05 3349 0.207E-02 0.942E-02 RMM: 8 -0.355260042970E+03 0.54511E-04 -0.32695E-05 2954 0.182E-02 0.256E-02 RMM: 9 -0.355260043991E+03 -0.10208E-05 -0.97072E-06 2463 0.873E-03 8285 T= 7072. E= 0.69255576E+03 F= 0.63404807E+03 E0= 0.66395174E+03 EK= 0.58508E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355838351963E+03 -0.57831E+00 -0.16731E-01 7860 0.240E+01 0.253E-01 RMM: 2 -0.355846969189E+03 -0.86172E-02 -0.64698E-02 5102 0.607E-01 0.799E-01 RMM: 3 -0.355842778319E+03 0.41909E-02 -0.64744E-03 5472 0.168E-01 0.171E-01 RMM: 4 -0.355843232821E+03 -0.45450E-03 -0.99898E-04 4635 0.770E-02 0.330E-01 RMM: 5 -0.355842568538E+03 0.66428E-03 -0.33305E-04 4031 0.466E-02 0.108E-01 RMM: 6 -0.355842510019E+03 0.58519E-04 -0.87133E-05 3606 0.259E-02 0.603E-02 RMM: 7 -0.355842549958E+03 -0.39939E-04 -0.53215E-05 3280 0.201E-02 0.100E-01 RMM: 8 -0.355842487788E+03 0.62170E-04 -0.32839E-05 2942 0.184E-02 0.247E-02 RMM: 9 -0.355842488104E+03 -0.31598E-06 -0.88276E-06 2454 0.828E-03 8286 T= 6965. E= 0.69128909E+03 F= 0.63367336E+03 E0= 0.66361485E+03 EK= 0.57616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356363542574E+03 -0.52105E+00 -0.16315E-01 7968 0.236E+01 0.241E-01 RMM: 2 -0.356372214928E+03 -0.86724E-02 -0.62502E-02 5039 0.599E-01 0.808E-01 RMM: 3 -0.356367868588E+03 0.43463E-02 -0.64330E-03 5484 0.170E-01 0.166E-01 RMM: 4 -0.356368166514E+03 -0.29793E-03 -0.95780E-04 4638 0.760E-02 0.286E-01 RMM: 5 -0.356367667220E+03 0.49929E-03 -0.32490E-04 4033 0.470E-02 0.107E-01 RMM: 6 -0.356367622318E+03 0.44902E-04 -0.90190E-05 3648 0.263E-02 0.726E-02 RMM: 7 -0.356367648782E+03 -0.26464E-04 -0.58204E-05 3357 0.213E-02 0.975E-02 RMM: 8 -0.356367591359E+03 0.57423E-04 -0.31964E-05 2975 0.184E-02 0.249E-02 RMM: 9 -0.356367591906E+03 -0.54675E-06 -0.79693E-06 2453 0.784E-03 8287 T= 6645. E= 0.68832956E+03 F= 0.63335834E+03 E0= 0.66333573E+03 EK= 0.54971E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356848478028E+03 -0.48089E+00 -0.15672E-01 7836 0.230E+01 0.245E-01 RMM: 2 -0.356858058556E+03 -0.95805E-02 -0.63079E-02 5049 0.603E-01 0.888E-01 RMM: 3 -0.356852923038E+03 0.51355E-02 -0.67406E-03 5489 0.175E-01 0.182E-01 RMM: 4 -0.356853057651E+03 -0.13461E-03 -0.86306E-04 4625 0.703E-02 0.256E-01 RMM: 5 -0.356852706655E+03 0.35100E-03 -0.33867E-04 4252 0.499E-02 0.129E-01 RMM: 6 -0.356852634849E+03 0.71806E-04 -0.13117E-04 3878 0.309E-02 0.792E-02 RMM: 7 -0.356852673481E+03 -0.38632E-04 -0.64602E-05 3479 0.229E-02 0.110E-01 RMM: 8 -0.356852598656E+03 0.74824E-04 -0.34727E-05 3048 0.187E-02 0.276E-02 RMM: 9 -0.356852598901E+03 -0.24450E-06 -0.92815E-06 2460 0.863E-03 8288 T= 6251. E= 0.68479646E+03 F= 0.63308799E+03 E0= 0.66309680E+03 EK= 0.51708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357322152271E+03 -0.46955E+00 -0.14760E-01 7752 0.225E+01 0.235E-01 RMM: 2 -0.357331344830E+03 -0.91926E-02 -0.62357E-02 5078 0.590E-01 0.845E-01 RMM: 3 -0.357326580260E+03 0.47646E-02 -0.65874E-03 5503 0.170E-01 0.164E-01 RMM: 4 -0.357326740246E+03 -0.15999E-03 -0.90002E-04 4621 0.735E-02 0.253E-01 RMM: 5 -0.357326341814E+03 0.39843E-03 -0.35227E-04 4198 0.503E-02 0.945E-02 RMM: 6 -0.357326354889E+03 -0.13075E-04 -0.11414E-04 3828 0.288E-02 8289 T= 5924. E= 0.68183849E+03 F= 0.63283367E+03 E0= 0.66286723E+03 EK= 0.49005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357808790595E+03 -0.48245E+00 -0.14488E-01 7944 0.221E+01 0.356E-01 RMM: 2 -0.357830626054E+03 -0.21835E-01 -0.67093E-02 5133 0.625E-01 0.166E+00 RMM: 3 -0.357812845079E+03 0.17781E-01 -0.11699E-02 5340 0.263E-01 0.286E-01 RMM: 4 -0.357812547564E+03 0.29752E-03 -0.14383E-03 4665 0.798E-02 0.210E-01 RMM: 5 -0.357812516585E+03 0.30980E-04 -0.50070E-04 4571 0.583E-02 0.226E-01 RMM: 6 -0.357812236078E+03 0.28051E-03 -0.29114E-04 3937 0.461E-02 0.944E-02 RMM: 7 -0.357812299166E+03 -0.63088E-04 -0.12190E-04 3852 0.308E-02 0.134E-01 RMM: 8 -0.357812194202E+03 0.10496E-03 -0.64452E-05 3521 0.242E-02 0.491E-02 RMM: 9 -0.357812186067E+03 0.81349E-05 -0.15043E-05 2528 0.115E-02 8290 T= 5759. E= 0.68021456E+03 F= 0.63257009E+03 E0= 0.66262146E+03 EK= 0.47644E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358316330657E+03 -0.50414E+00 -0.14687E-01 8160 0.221E+01 0.350E-01 RMM: 2 -0.358343994657E+03 -0.27664E-01 -0.64531E-02 5053 0.605E-01 0.192E+00 RMM: 3 -0.358320353951E+03 0.23641E-01 -0.11820E-02 5341 0.265E-01 0.333E-01 RMM: 4 -0.358319777041E+03 0.57691E-03 -0.17473E-03 4744 0.919E-02 0.195E-01 RMM: 5 -0.358319901242E+03 -0.12420E-03 -0.39558E-04 4321 0.517E-02 0.242E-01 RMM: 6 -0.358319512560E+03 0.38868E-03 -0.16499E-04 3879 0.353E-02 0.389E-02 RMM: 7 -0.358319538686E+03 -0.26127E-04 -0.50923E-05 3237 0.193E-02 0.787E-02 RMM: 8 -0.358319502800E+03 0.35886E-04 -0.29058E-05 2775 0.181E-02 0.247E-02 RMM: 9 -0.358319500552E+03 0.22485E-05 -0.59340E-06 2449 0.705E-03 8291 T= 5796. E= 0.68023417E+03 F= 0.63228445E+03 E0= 0.66234321E+03 EK= 0.47950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358829968162E+03 -0.51047E+00 -0.15959E-01 8352 0.225E+01 0.272E-01 RMM: 2 -0.358842239178E+03 -0.12271E-01 -0.75864E-02 4959 0.631E-01 0.102E+00 RMM: 3 -0.358835456515E+03 0.67827E-02 -0.88800E-03 5415 0.204E-01 0.227E-01 RMM: 4 -0.358835593225E+03 -0.13671E-03 -0.12030E-03 4648 0.789E-02 0.277E-01 RMM: 5 -0.358835144309E+03 0.44892E-03 -0.31385E-04 3940 0.445E-02 0.129E-01 RMM: 6 -0.358835061389E+03 0.82920E-04 -0.10650E-04 3747 0.284E-02 0.686E-02 RMM: 7 -0.358835096810E+03 -0.35420E-04 -0.67200E-05 3468 0.227E-02 0.102E-01 RMM: 8 -0.358835032032E+03 0.64778E-04 -0.36039E-05 3041 0.192E-02 0.263E-02 RMM: 9 -0.358835032091E+03 -0.59019E-07 -0.92265E-06 2460 0.859E-03 8292 T= 6024. E= 0.68181987E+03 F= 0.63198631E+03 E0= 0.66204162E+03 EK= 0.49834E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359318924381E+03 -0.48389E+00 -0.16280E-01 8592 0.232E+01 0.280E-01 RMM: 2 -0.359330984458E+03 -0.12060E-01 -0.67871E-02 5139 0.603E-01 0.106E+00 RMM: 3 -0.359323472329E+03 0.75121E-02 -0.77301E-03 5453 0.190E-01 0.192E-01 RMM: 4 -0.359323866842E+03 -0.39451E-03 -0.11749E-03 4615 0.792E-02 0.328E-01 RMM: 5 -0.359323258298E+03 0.60854E-03 -0.33506E-04 3980 0.469E-02 0.131E-01 RMM: 6 -0.359323152470E+03 0.10583E-03 -0.87402E-05 3614 0.264E-02 0.451E-02 RMM: 7 -0.359323189393E+03 -0.36924E-04 -0.49530E-05 3201 0.192E-02 0.909E-02 RMM: 8 -0.359323140918E+03 0.48476E-04 -0.31544E-05 2864 0.181E-02 0.249E-02 RMM: 9 -0.359323141943E+03 -0.10251E-05 -0.10083E-05 2462 0.894E-03 8293 T= 6381. E= 0.68449610E+03 F= 0.63170866E+03 E0= 0.66174834E+03 EK= 0.52787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359725816688E+03 -0.40268E+00 -0.17370E-01 8640 0.240E+01 0.245E-01 RMM: 2 -0.359733260714E+03 -0.74440E-02 -0.74945E-02 5246 0.601E-01 0.543E-01 RMM: 3 -0.359731163146E+03 0.20976E-02 -0.65841E-03 5560 0.165E-01 0.207E-01 RMM: 4 -0.359731486979E+03 -0.32383E-03 -0.81549E-04 4640 0.661E-02 0.320E-01 RMM: 5 -0.359730816943E+03 0.67004E-03 -0.30023E-04 3927 0.437E-02 0.741E-02 RMM: 6 -0.359730800352E+03 0.16591E-04 -0.61037E-05 3392 0.216E-02 8294 T= 6752. E= 0.68735807E+03 F= 0.63150373E+03 E0= 0.66151562E+03 EK= 0.55854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359993095426E+03 -0.26228E+00 -0.18634E-01 8760 0.246E+01 0.329E-01 RMM: 2 -0.360013570907E+03 -0.20475E-01 -0.87289E-02 5180 0.659E-01 0.145E+00 RMM: 3 -0.359999073298E+03 0.14498E-01 -0.10469E-02 5374 0.234E-01 0.272E-01 RMM: 4 -0.359999025816E+03 0.47482E-04 -0.17130E-03 4728 0.936E-02 0.275E-01 RMM: 5 -0.359998733275E+03 0.29254E-03 -0.36565E-04 3949 0.466E-02 0.195E-01 RMM: 6 -0.359998492803E+03 0.24047E-03 -0.13871E-04 3867 0.332E-02 0.613E-02 RMM: 7 -0.359998525875E+03 -0.33072E-04 -0.82393E-05 3573 0.243E-02 0.978E-02 RMM: 8 -0.359998473125E+03 0.52750E-04 -0.43557E-05 3122 0.196E-02 0.420E-02 RMM: 9 -0.359998466707E+03 0.64182E-05 -0.14169E-05 2498 0.111E-02 8295 T= 6990. E= 0.68925559E+03 F= 0.63143231E+03 E0= 0.66140639E+03 EK= 0.57823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360080313094E+03 -0.81840E-01 -0.19081E-01 8724 0.249E+01 0.317E-01 RMM: 2 -0.360102910981E+03 -0.22598E-01 -0.89075E-02 5209 0.658E-01 0.158E+00 RMM: 3 -0.360086320615E+03 0.16590E-01 -0.10202E-02 5355 0.234E-01 0.281E-01 RMM: 4 -0.360086112101E+03 0.20851E-03 -0.17036E-03 4738 0.917E-02 0.246E-01 RMM: 5 -0.360085941771E+03 0.17033E-03 -0.34605E-04 4062 0.470E-02 0.193E-01 RMM: 6 -0.360085699233E+03 0.24254E-03 -0.13002E-04 3846 0.323E-02 0.423E-02 RMM: 7 -0.360085715354E+03 -0.16121E-04 -0.41618E-05 3090 0.182E-02 8296 T= 6987. E= 0.68933572E+03 F= 0.63153751E+03 E0= 0.66146727E+03 EK= 0.57798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359987473404E+03 0.98226E-01 -0.19251E-01 8628 0.247E+01 0.250E-01 RMM: 2 -0.360001171315E+03 -0.13698E-01 -0.95986E-02 5124 0.671E-01 0.934E-01 RMM: 3 -0.359994738340E+03 0.64330E-02 -0.87575E-03 5424 0.201E-01 0.203E-01 RMM: 4 -0.359994810158E+03 -0.71818E-04 -0.10767E-03 4665 0.752E-02 0.248E-01 RMM: 5 -0.359994499084E+03 0.31107E-03 -0.32259E-04 4087 0.468E-02 0.148E-01 RMM: 6 -0.359994373371E+03 0.12571E-03 -0.12196E-04 3843 0.301E-02 0.613E-02 RMM: 7 -0.359994441690E+03 -0.68319E-04 -0.72655E-05 3562 0.225E-02 0.120E-01 RMM: 8 -0.359994351568E+03 0.90122E-04 -0.41331E-05 3093 0.204E-02 0.309E-02 RMM: 9 -0.359994350213E+03 0.13552E-05 -0.11315E-05 2477 0.964E-03 8297 T= 6744. E= 0.68760811E+03 F= 0.63182057E+03 E0= 0.66170431E+03 EK= 0.55788E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359769846539E+03 0.22451E+00 -0.18404E-01 8508 0.242E+01 0.227E-01 RMM: 2 -0.359782990618E+03 -0.13144E-01 -0.99477E-02 5138 0.688E-01 0.864E-01 RMM: 3 -0.359777516731E+03 0.54739E-02 -0.89214E-03 5776 0.185E-01 0.155E-01 RMM: 4 -0.359777583703E+03 -0.66972E-04 -0.82707E-04 4640 0.683E-02 0.238E-01 RMM: 5 -0.359777239412E+03 0.34429E-03 -0.26826E-04 3945 0.440E-02 0.101E-01 RMM: 6 -0.359777224979E+03 0.14433E-04 -0.11621E-04 3841 0.293E-02 8298 T= 6371. E= 0.68493570E+03 F= 0.63223097E+03 E0= 0.66207163E+03 EK= 0.52705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359511703923E+03 0.26554E+00 -0.17921E-01 8064 0.236E+01 0.367E-01 RMM: 2 -0.359546784501E+03 -0.35081E-01 -0.12451E-01 4912 0.808E-01 0.194E+00 RMM: 3 -0.359521151410E+03 0.25633E-01 -0.18158E-02 5362 0.314E-01 0.320E-01 RMM: 4 -0.359520595517E+03 0.55589E-03 -0.19877E-03 4961 0.884E-02 0.173E-01 RMM: 5 -0.359520572789E+03 0.22728E-04 -0.45806E-04 4479 0.550E-02 0.197E-01 RMM: 6 -0.359520361089E+03 0.21170E-03 -0.25657E-04 3901 0.430E-02 0.947E-02 RMM: 7 -0.359520462971E+03 -0.10188E-03 -0.14994E-04 3888 0.328E-02 0.154E-01 RMM: 8 -0.359520321315E+03 0.14166E-03 -0.79428E-05 3622 0.263E-02 0.522E-02 RMM: 9 -0.359520310727E+03 0.10587E-04 -0.17596E-05 2564 0.123E-02 8299 T= 6018. E= 0.68246747E+03 F= 0.63268342E+03 E0= 0.66248864E+03 EK= 0.49784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359313150336E+03 0.20717E+00 -0.16197E-01 8040 0.230E+01 0.392E-01 RMM: 2 -0.359352008412E+03 -0.38858E-01 -0.10204E-01 5035 0.758E-01 0.217E+00 RMM: 3 -0.359320275858E+03 0.31733E-01 -0.16970E-02 5347 0.316E-01 0.387E-01 RMM: 4 -0.359319248151E+03 0.10277E-02 -0.21495E-03 4902 0.970E-02 0.140E-01 RMM: 5 -0.359319337307E+03 -0.89156E-04 -0.38707E-04 4202 0.497E-02 0.200E-01 RMM: 6 -0.359319075977E+03 0.26133E-03 -0.16289E-04 3879 0.355E-02 0.536E-02 RMM: 7 -0.359319147751E+03 -0.71774E-04 -0.95100E-05 3706 0.253E-02 0.120E-01 RMM: 8 -0.359319064034E+03 0.83718E-04 -0.48657E-05 3234 0.217E-02 0.385E-02 RMM: 9 -0.359319056480E+03 0.75540E-05 -0.11128E-05 2477 0.990E-03 8300 T= 5804. E= 0.68109187E+03 F= 0.63308130E+03 E0= 0.66285938E+03 EK= 0.48011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359244738903E+03 0.74325E-01 -0.15495E-01 7824 0.228E+01 0.267E-01 RMM: 2 -0.359262806635E+03 -0.18068E-01 -0.88827E-02 5047 0.679E-01 0.128E+00 RMM: 3 -0.359251643853E+03 0.11163E-01 -0.10103E-02 5410 0.220E-01 0.242E-01 RMM: 4 -0.359251368146E+03 0.27571E-03 -0.11871E-03 4639 0.749E-02 0.170E-01 RMM: 5 -0.359251264564E+03 0.10358E-03 -0.32658E-04 4144 0.484E-02 0.150E-01 RMM: 6 -0.359251147183E+03 0.11738E-03 -0.14744E-04 3890 0.331E-02 0.809E-02 RMM: 7 -0.359251220005E+03 -0.72821E-04 -0.11236E-04 3880 0.283E-02 0.131E-01 RMM: 8 -0.359251113320E+03 0.10668E-03 -0.55080E-05 3342 0.225E-02 0.431E-02 RMM: 9 -0.359251104878E+03 0.84423E-05 -0.12760E-05 2495 0.104E-02 8301 T= 5792. E= 0.68125559E+03 F= 0.63334429E+03 E0= 0.66310524E+03 EK= 0.47911E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359351743020E+03 -0.10063E+00 -0.14859E-01 7872 0.229E+01 0.288E-01 RMM: 2 -0.359368673340E+03 -0.16930E-01 -0.69669E-02 5136 0.632E-01 0.135E+00 RMM: 3 -0.359356525740E+03 0.12148E-01 -0.89753E-03 5393 0.216E-01 0.209E-01 RMM: 4 -0.359356441919E+03 0.83821E-04 -0.11269E-03 4616 0.728E-02 0.205E-01 RMM: 5 -0.359356271417E+03 0.17050E-03 -0.25161E-04 3896 0.409E-02 0.148E-01 RMM: 6 -0.359356142059E+03 0.12936E-03 -0.10944E-04 3832 0.295E-02 0.564E-02 RMM: 7 -0.359356202811E+03 -0.60753E-04 -0.71883E-05 3534 0.229E-02 0.111E-01 RMM: 8 -0.359356123587E+03 0.79224E-04 -0.38842E-05 3064 0.200E-02 0.225E-02 RMM: 9 -0.359356125339E+03 -0.17514E-05 -0.98438E-06 2468 0.886E-03 8302 T= 5991. E= 0.68298757E+03 F= 0.63342962E+03 E0= 0.66318363E+03 EK= 0.49558E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359617245213E+03 -0.26112E+00 -0.15321E-01 7968 0.234E+01 0.222E-01 RMM: 2 -0.359626808467E+03 -0.95633E-02 -0.75559E-02 4968 0.646E-01 0.734E-01 RMM: 3 -0.359623157062E+03 0.36514E-02 -0.78378E-03 5542 0.177E-01 0.183E-01 RMM: 4 -0.359623228944E+03 -0.71882E-04 -0.92030E-04 4629 0.720E-02 0.244E-01 RMM: 5 -0.359622863802E+03 0.36514E-03 -0.27410E-04 3937 0.433E-02 0.936E-02 RMM: 6 -0.359622817556E+03 0.46246E-04 -0.60815E-05 3380 0.223E-02 0.525E-02 RMM: 7 -0.359622841883E+03 -0.24326E-04 -0.52432E-05 3269 0.202E-02 0.839E-02 RMM: 8 -0.359622798854E+03 0.43028E-04 -0.27804E-05 2809 0.171E-02 0.232E-02 RMM: 9 -0.359622799138E+03 -0.28332E-06 -0.87301E-06 2449 0.838E-03 8303 T= 6352. E= 0.68589173E+03 F= 0.63334623E+03 E0= 0.66310422E+03 EK= 0.52545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359983621055E+03 -0.36082E+00 -0.15486E-01 8208 0.241E+01 0.276E-01 RMM: 2 -0.359997215234E+03 -0.13594E-01 -0.79087E-02 5068 0.679E-01 0.111E+00 RMM: 3 -0.359989304375E+03 0.79109E-02 -0.85006E-03 5418 0.196E-01 0.172E-01 RMM: 4 -0.359989600351E+03 -0.29598E-03 -0.11919E-03 4657 0.810E-02 0.297E-01 RMM: 5 -0.359989075743E+03 0.52461E-03 -0.30714E-04 3946 0.446E-02 0.118E-01 RMM: 6 -0.359988991561E+03 0.84182E-04 -0.81911E-05 3592 0.252E-02 0.481E-02 RMM: 7 -0.359989019565E+03 -0.28004E-04 -0.48978E-05 3180 0.194E-02 0.875E-02 RMM: 8 -0.359988971617E+03 0.47948E-04 -0.31521E-05 2849 0.179E-02 0.233E-02 RMM: 9 -0.359988974717E+03 -0.31001E-05 -0.11421E-05 2467 0.963E-03 8304 T= 6760. E= 0.68908178E+03 F= 0.63315556E+03 E0= 0.66292792E+03 EK= 0.55926E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360350121683E+03 -0.36115E+00 -0.15732E-01 8160 0.247E+01 0.258E-01 RMM: 2 -0.360360172963E+03 -0.10051E-01 -0.76779E-02 5134 0.672E-01 0.824E-01 RMM: 3 -0.360355725991E+03 0.44470E-02 -0.73744E-03 5459 0.176E-01 0.172E-01 RMM: 4 -0.360356004559E+03 -0.27857E-03 -0.10481E-03 4653 0.788E-02 0.297E-01 RMM: 5 -0.360355452002E+03 0.55256E-03 -0.34741E-04 4079 0.486E-02 0.946E-02 RMM: 6 -0.360355399854E+03 0.52148E-04 -0.58452E-05 3363 0.213E-02 0.462E-02 RMM: 7 -0.360355418053E+03 -0.18199E-04 -0.42321E-05 3030 0.186E-02 8305 T= 7053. E= 0.69130558E+03 F= 0.63295794E+03 E0= 0.66275387E+03 EK= 0.58348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360620050655E+03 -0.26465E+00 -0.16227E-01 7908 0.249E+01 0.276E-01 RMM: 2 -0.360630828430E+03 -0.10778E-01 -0.77420E-02 5191 0.683E-01 0.911E-01 RMM: 3 -0.360625641101E+03 0.51873E-02 -0.78491E-03 5505 0.185E-01 0.198E-01 RMM: 4 -0.360625849383E+03 -0.20828E-03 -0.11159E-03 4649 0.791E-02 0.299E-01 RMM: 5 -0.360625289890E+03 0.55949E-03 -0.34148E-04 4081 0.484E-02 0.973E-02 RMM: 6 -0.360625241894E+03 0.47995E-04 -0.59345E-05 3384 0.215E-02 0.579E-02 RMM: 7 -0.360625260030E+03 -0.18135E-04 -0.57320E-05 3399 0.201E-02 8306 T= 7090. E= 0.69150782E+03 F= 0.63285277E+03 E0= 0.66267925E+03 EK= 0.58655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360744931144E+03 -0.11969E+00 -0.16449E-01 7596 0.247E+01 0.258E-01 RMM: 2 -0.360757186105E+03 -0.12255E-01 -0.82963E-02 5123 0.688E-01 0.963E-01 RMM: 3 -0.360751068604E+03 0.61175E-02 -0.84372E-03 5575 0.185E-01 0.168E-01 RMM: 4 -0.360751268175E+03 -0.19957E-03 -0.10336E-03 4671 0.777E-02 0.274E-01 RMM: 5 -0.360750804681E+03 0.46349E-03 -0.29168E-04 3945 0.440E-02 0.994E-02 RMM: 6 -0.360750753129E+03 0.51552E-04 -0.72732E-05 3492 0.242E-02 0.517E-02 RMM: 7 -0.360750781409E+03 -0.28280E-04 -0.49810E-05 3176 0.195E-02 0.885E-02 RMM: 8 -0.360750734804E+03 0.46605E-04 -0.27872E-05 2679 0.167E-02 0.238E-02 RMM: 9 -0.360750737428E+03 -0.26243E-05 -0.11392E-05 2457 0.934E-03 8307 T= 6849. E= 0.68955074E+03 F= 0.63289079E+03 E0= 0.66275115E+03 EK= 0.56660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360749057881E+03 0.16769E-02 -0.16034E-01 7716 0.240E+01 0.228E-01 RMM: 2 -0.360759208841E+03 -0.10151E-01 -0.76786E-02 5104 0.652E-01 0.815E-01 RMM: 3 -0.360754858141E+03 0.43507E-02 -0.76577E-03 5618 0.175E-01 0.144E-01 RMM: 4 -0.360755054161E+03 -0.19602E-03 -0.74055E-04 4625 0.650E-02 0.261E-01 RMM: 5 -0.360754618169E+03 0.43599E-03 -0.23925E-04 3920 0.413E-02 0.856E-02 RMM: 6 -0.360754599504E+03 0.18665E-04 -0.81482E-05 3587 0.249E-02 8308 T= 6441. E= 0.68633669E+03 F= 0.63305163E+03 E0= 0.66294532E+03 EK= 0.53285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360703519303E+03 0.51099E-01 -0.14967E-01 7728 0.232E+01 0.329E-01 RMM: 2 -0.360728441686E+03 -0.24922E-01 -0.71159E-02 5223 0.639E-01 0.174E+00 RMM: 3 -0.360708300510E+03 0.20141E-01 -0.11173E-02 5338 0.255E-01 0.285E-01 RMM: 4 -0.360707867489E+03 0.43302E-03 -0.13282E-03 4641 0.764E-02 0.161E-01 RMM: 5 -0.360707890114E+03 -0.22625E-04 -0.32724E-04 4167 0.474E-02 0.196E-01 RMM: 6 -0.360707661746E+03 0.22837E-03 -0.17686E-04 3879 0.369E-02 0.734E-02 RMM: 7 -0.360707736835E+03 -0.75089E-04 -0.11640E-04 3858 0.290E-02 0.130E-01 RMM: 8 -0.360707636671E+03 0.10016E-03 -0.54483E-05 3336 0.225E-02 0.407E-02 RMM: 9 -0.360707631754E+03 0.49175E-05 -0.13335E-05 2505 0.107E-02 8309 T= 6034. E= 0.68317957E+03 F= 0.63326541E+03 E0= 0.66318939E+03 EK= 0.49914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360689096508E+03 0.18540E-01 -0.14269E-01 7404 0.225E+01 0.331E-01 RMM: 2 -0.360716398118E+03 -0.27302E-01 -0.68661E-02 5225 0.635E-01 0.186E+00 RMM: 3 -0.360693616495E+03 0.22782E-01 -0.11100E-02 5339 0.258E-01 0.326E-01 RMM: 4 -0.360692934680E+03 0.68182E-03 -0.15063E-03 4666 0.838E-02 0.146E-01 RMM: 5 -0.360692993811E+03 -0.59131E-04 -0.30080E-04 4090 0.468E-02 0.187E-01 RMM: 6 -0.360692762379E+03 0.23143E-03 -0.12534E-04 3871 0.318E-02 0.431E-02 RMM: 7 -0.360692813963E+03 -0.51585E-04 -0.64862E-05 3411 0.216E-02 0.101E-01 RMM: 8 -0.360692753876E+03 0.60088E-04 -0.35230E-05 2966 0.194E-02 0.310E-02 RMM: 9 -0.360692749827E+03 0.40487E-05 -0.85462E-06 2455 0.831E-03 8310 T= 5764. E= 0.68112839E+03 F= 0.63344827E+03 E0= 0.66339621E+03 EK= 0.47680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360771930571E+03 -0.79177E-01 -0.14036E-01 7764 0.222E+01 0.236E-01 RMM: 2 -0.360783299736E+03 -0.11369E-01 -0.55579E-02 5297 0.554E-01 0.106E+00 RMM: 3 -0.360775808996E+03 0.74907E-02 -0.58951E-03 5362 0.175E-01 0.207E-01 RMM: 4 -0.360775662383E+03 0.14661E-03 -0.77047E-04 4610 0.617E-02 0.164E-01 RMM: 5 -0.360775550726E+03 0.11166E-03 -0.21567E-04 3884 0.394E-02 0.130E-01 RMM: 6 -0.360775461884E+03 0.88842E-04 -0.10307E-04 3847 0.287E-02 0.682E-02 RMM: 7 -0.360775510004E+03 -0.48120E-04 -0.79673E-05 3567 0.241E-02 0.111E-01 RMM: 8 -0.360775433081E+03 0.76922E-04 -0.43140E-05 3158 0.207E-02 0.273E-02 RMM: 9 -0.360775432416E+03 0.66528E-06 -0.92128E-06 2465 0.849E-03 8311 T= 5706. E= 0.68073407E+03 F= 0.63353231E+03 E0= 0.66349676E+03 EK= 0.47202E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360987479549E+03 -0.21205E+00 -0.14090E-01 7980 0.223E+01 0.218E-01 RMM: 2 -0.360996523018E+03 -0.90435E-02 -0.59903E-02 5105 0.580E-01 0.849E-01 RMM: 3 -0.360991886020E+03 0.46370E-02 -0.61620E-03 5504 0.165E-01 0.172E-01 RMM: 4 -0.360991871787E+03 0.14232E-04 -0.70636E-04 4611 0.616E-02 0.195E-01 RMM: 5 -0.360991679549E+03 0.19224E-03 -0.19421E-04 3876 0.364E-02 0.113E-01 RMM: 6 -0.360991608519E+03 0.71030E-04 -0.76697E-05 3531 0.256E-02 0.489E-02 RMM: 7 -0.360991646815E+03 -0.38297E-04 -0.42776E-05 3074 0.185E-02 0.921E-02 RMM: 8 -0.360991595335E+03 0.51480E-04 -0.27693E-05 2706 0.171E-02 0.261E-02 RMM: 9 -0.360991593306E+03 0.20296E-05 -0.80663E-06 2445 0.801E-03 8312 T= 5877. E= 0.68209921E+03 F= 0.63347860E+03 E0= 0.66345083E+03 EK= 0.48621E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361337721270E+03 -0.34613E+00 -0.15104E-01 7896 0.228E+01 0.220E-01 RMM: 2 -0.361347446228E+03 -0.97250E-02 -0.68397E-02 5013 0.622E-01 0.824E-01 RMM: 3 -0.361342904955E+03 0.45413E-02 -0.71152E-03 5535 0.173E-01 0.151E-01 RMM: 4 -0.361343065977E+03 -0.16102E-03 -0.82407E-04 4621 0.685E-02 0.243E-01 RMM: 5 -0.361342708348E+03 0.35763E-03 -0.22399E-04 3886 0.387E-02 0.902E-02 RMM: 6 -0.361342663569E+03 0.44778E-04 -0.49366E-05 3212 0.204E-02 0.464E-02 RMM: 7 -0.361342685431E+03 -0.21862E-04 -0.47849E-05 3196 0.193E-02 0.795E-02 RMM: 8 -0.361342646703E+03 0.38728E-04 -0.26727E-05 2752 0.164E-02 0.189E-02 RMM: 9 -0.361342648665E+03 -0.19622E-05 -0.79495E-06 2442 0.781E-03 8313 T= 6240. E= 0.68490626E+03 F= 0.63328330E+03 E0= 0.66325442E+03 EK= 0.51623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361795301818E+03 -0.45266E+00 -0.15939E-01 7956 0.236E+01 0.234E-01 RMM: 2 -0.361804395940E+03 -0.90941E-02 -0.65443E-02 5188 0.619E-01 0.821E-01 RMM: 3 -0.361800048919E+03 0.43470E-02 -0.62862E-03 5525 0.165E-01 0.167E-01 RMM: 4 -0.361800230505E+03 -0.18159E-03 -0.85443E-04 4606 0.701E-02 0.261E-01 RMM: 5 -0.361799816185E+03 0.41432E-03 -0.25372E-04 3901 0.413E-02 0.960E-02 RMM: 6 -0.361799760727E+03 0.55458E-04 -0.50002E-05 3235 0.210E-02 0.409E-02 RMM: 7 -0.361799780435E+03 -0.19708E-04 -0.34924E-05 2819 0.167E-02 8314 T= 6691. E= 0.68832773E+03 F= 0.63297423E+03 E0= 0.66293581E+03 EK= 0.55353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362310105039E+03 -0.51034E+00 -0.16856E-01 7992 0.244E+01 0.241E-01 RMM: 2 -0.362319512291E+03 -0.94073E-02 -0.69451E-02 5227 0.644E-01 0.819E-01 RMM: 3 -0.362315212203E+03 0.43001E-02 -0.65821E-03 5515 0.168E-01 0.160E-01 RMM: 4 -0.362315461640E+03 -0.24944E-03 -0.87960E-04 4608 0.713E-02 0.276E-01 RMM: 5 -0.362314972219E+03 0.48942E-03 -0.27084E-04 3912 0.431E-02 0.761E-02 RMM: 6 -0.362314942468E+03 0.29751E-04 -0.38406E-05 3023 0.182E-02 0.489E-02 RMM: 7 -0.362314952715E+03 -0.10247E-04 -0.41949E-05 2969 0.182E-02 8315 T= 7065. E= 0.69104698E+03 F= 0.63260015E+03 E0= 0.66254517E+03 EK= 0.58447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362832570342E+03 -0.51763E+00 -0.17775E-01 7980 0.248E+01 0.246E-01 RMM: 2 -0.362843925371E+03 -0.11355E-01 -0.85268E-02 5087 0.712E-01 0.868E-01 RMM: 3 -0.362839108967E+03 0.48164E-02 -0.87039E-03 5591 0.189E-01 0.172E-01 RMM: 4 -0.362839231094E+03 -0.12213E-03 -0.96389E-04 4664 0.744E-02 0.262E-01 RMM: 5 -0.362838833515E+03 0.39758E-03 -0.27583E-04 3954 0.439E-02 0.109E-01 RMM: 6 -0.362838760506E+03 0.73009E-04 -0.67005E-05 3423 0.239E-02 0.402E-02 RMM: 7 -0.362838780896E+03 -0.20390E-04 -0.32968E-05 2720 0.163E-02 0.766E-02 RMM: 8 -0.362838744522E+03 0.36373E-04 -0.29611E-05 2582 0.166E-02 0.272E-02 RMM: 9 -0.362838745468E+03 -0.94542E-06 -0.13336E-05 2459 0.104E-02 8316 T= 7195. E= 0.69173771E+03 F= 0.63221261E+03 E0= 0.66213775E+03 EK= 0.59525E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363337468644E+03 -0.49872E+00 -0.17469E-01 7896 0.247E+01 0.221E-01 RMM: 2 -0.363347876167E+03 -0.10408E-01 -0.77342E-02 5086 0.673E-01 0.819E-01 RMM: 3 -0.363343418686E+03 0.44575E-02 -0.73883E-03 5543 0.175E-01 0.133E-01 RMM: 4 -0.363343642795E+03 -0.22411E-03 -0.76325E-04 4623 0.676E-02 0.259E-01 RMM: 5 -0.363343221520E+03 0.42127E-03 -0.23197E-04 3918 0.410E-02 0.772E-02 RMM: 6 -0.363343192503E+03 0.29017E-04 -0.53441E-05 3274 0.213E-02 0.494E-02 RMM: 7 -0.363343206598E+03 -0.14096E-04 -0.34135E-05 2760 0.169E-02 8317 T= 7018. E= 0.68989971E+03 F= 0.63184235E+03 E0= 0.66174804E+03 EK= 0.58057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363829256274E+03 -0.48606E+00 -0.16583E-01 7704 0.242E+01 0.213E-01 RMM: 2 -0.363839345654E+03 -0.10089E-01 -0.71462E-02 5145 0.645E-01 0.834E-01 RMM: 3 -0.363834791647E+03 0.45540E-02 -0.67868E-03 5571 0.170E-01 0.166E-01 RMM: 4 -0.363834736683E+03 0.54964E-04 -0.67980E-04 4615 0.629E-02 0.181E-01 RMM: 5 -0.363834536006E+03 0.20068E-03 -0.17878E-04 3882 0.362E-02 0.805E-02 RMM: 6 -0.363834528004E+03 0.80023E-05 -0.60588E-05 3393 0.223E-02 8318 T= 6620. E= 0.68624680E+03 F= 0.63148561E+03 E0= 0.66137559E+03 EK= 0.54761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364338489316E+03 -0.50395E+00 -0.15761E-01 7452 0.234E+01 0.290E-01 RMM: 2 -0.364359732439E+03 -0.21243E-01 -0.73887E-02 5147 0.652E-01 0.155E+00 RMM: 3 -0.364343890448E+03 0.15842E-01 -0.10133E-02 5344 0.239E-01 0.245E-01 RMM: 4 -0.364343576611E+03 0.31384E-03 -0.11108E-03 4650 0.682E-02 0.152E-01 RMM: 5 -0.364343487815E+03 0.88796E-04 -0.22964E-04 3926 0.420E-02 0.122E-01 RMM: 6 -0.364343411599E+03 0.76216E-04 -0.10444E-04 3743 0.288E-02 0.652E-02 RMM: 7 -0.364343471912E+03 -0.60313E-04 -0.67189E-05 3449 0.232E-02 0.115E-01 RMM: 8 -0.364343389942E+03 0.81970E-04 -0.36640E-05 3022 0.195E-02 0.292E-02 RMM: 9 -0.364343391126E+03 -0.11840E-05 -0.12746E-05 2475 0.102E-02 8319 T= 6172. E= 0.68217379E+03 F= 0.63111298E+03 E0= 0.66099321E+03 EK= 0.51061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364899228533E+03 -0.55584E+00 -0.14792E-01 7512 0.227E+01 0.303E-01 RMM: 2 -0.364924290468E+03 -0.25062E-01 -0.69578E-02 5088 0.645E-01 0.175E+00 RMM: 3 -0.364904171532E+03 0.20119E-01 -0.10593E-02 5340 0.250E-01 0.285E-01 RMM: 4 -0.364903656810E+03 0.51472E-03 -0.12775E-03 4636 0.758E-02 0.129E-01 RMM: 5 -0.364903659269E+03 -0.24586E-05 -0.23582E-04 3932 0.420E-02 0.146E-01 RMM: 6 -0.364903526539E+03 0.13273E-03 -0.95813E-05 3734 0.285E-02 0.451E-02 RMM: 7 -0.364903559826E+03 -0.33288E-04 -0.45149E-05 3134 0.192E-02 0.864E-02 RMM: 8 -0.364903516087E+03 0.43739E-04 -0.27210E-05 2682 0.173E-02 0.299E-02 RMM: 9 -0.364903511504E+03 0.45834E-05 -0.80171E-06 2449 0.861E-03 8320 T= 5832. E= 0.67893626E+03 F= 0.63069045E+03 E0= 0.66056736E+03 EK= 0.48246E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365527513160E+03 -0.62400E+00 -0.14473E-01 7752 0.223E+01 0.209E-01 RMM: 2 -0.365539044124E+03 -0.11531E-01 -0.62022E-02 5113 0.583E-01 0.996E-01 RMM: 3 -0.365532228374E+03 0.68158E-02 -0.62423E-03 5385 0.174E-01 0.177E-01 RMM: 4 -0.365532140539E+03 0.87835E-04 -0.70315E-04 4624 0.591E-02 0.154E-01 RMM: 5 -0.365532023050E+03 0.11749E-03 -0.17119E-04 3881 0.350E-02 0.103E-01 RMM: 6 -0.365531973498E+03 0.49552E-04 -0.69813E-05 3497 0.239E-02 0.604E-02 RMM: 7 -0.365532010212E+03 -0.36714E-04 -0.53142E-05 3288 0.204E-02 0.975E-02 RMM: 8 -0.365531951291E+03 0.58921E-04 -0.31482E-05 2916 0.182E-02 0.255E-02 RMM: 9 -0.365531951113E+03 0.17835E-06 -0.96162E-06 2451 0.881E-03 8321 T= 5689. E= 0.67726603E+03 F= 0.63019922E+03 E0= 0.66007850E+03 EK= 0.47067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366214750164E+03 -0.68280E+00 -0.14124E-01 7776 0.223E+01 0.198E-01 RMM: 2 -0.366223401309E+03 -0.86511E-02 -0.55337E-02 5132 0.553E-01 0.833E-01 RMM: 3 -0.366218823305E+03 0.45780E-02 -0.53624E-03 5495 0.156E-01 0.137E-01 RMM: 4 -0.366218874866E+03 -0.51561E-04 -0.58478E-04 4610 0.560E-02 0.186E-01 RMM: 5 -0.366218673725E+03 0.20114E-03 -0.14617E-04 3872 0.316E-02 0.837E-02 RMM: 6 -0.366218638455E+03 0.35271E-04 -0.47834E-05 3216 0.205E-02 0.449E-02 RMM: 7 -0.366218664440E+03 -0.25985E-04 -0.31029E-05 2751 0.162E-02 0.788E-02 RMM: 8 -0.366218626579E+03 0.37861E-04 -0.22848E-05 2601 0.155E-02 0.174E-02 RMM: 9 -0.366218629092E+03 -0.25127E-05 -0.70395E-06 2442 0.742E-03 8322 T= 5772. E= 0.67740065E+03 F= 0.62964679E+03 E0= 0.65953321E+03 EK= 0.47754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366916305491E+03 -0.69768E+00 -0.14879E-01 7920 0.227E+01 0.184E-01 RMM: 2 -0.366923675909E+03 -0.73704E-02 -0.64384E-02 5047 0.588E-01 0.572E-01 RMM: 3 -0.366921386808E+03 0.22891E-02 -0.61301E-03 5645 0.153E-01 0.139E-01 RMM: 4 -0.366921491271E+03 -0.10446E-03 -0.60153E-04 4623 0.597E-02 0.217E-01 RMM: 5 -0.366921195413E+03 0.29586E-03 -0.17971E-04 3876 0.345E-02 0.751E-02 RMM: 6 -0.366921166564E+03 0.28849E-04 -0.35382E-05 2970 0.179E-02 0.423E-02 RMM: 7 -0.366921181240E+03 -0.14675E-04 -0.32904E-05 2667 0.166E-02 8323 T= 6056. E= 0.67917447E+03 F= 0.62907314E+03 E0= 0.65897028E+03 EK= 0.50101E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367563269525E+03 -0.64210E+00 -0.16121E-01 7896 0.234E+01 0.202E-01 RMM: 2 -0.367571727162E+03 -0.84576E-02 -0.73393E-02 5074 0.634E-01 0.628E-01 RMM: 3 -0.367569101099E+03 0.26261E-02 -0.73929E-03 5711 0.168E-01 0.150E-01 RMM: 4 -0.367569225100E+03 -0.12400E-03 -0.67342E-04 4612 0.621E-02 0.240E-01 RMM: 5 -0.367568852681E+03 0.37242E-03 -0.19966E-04 3875 0.369E-02 0.653E-02 RMM: 6 -0.367568835641E+03 0.17040E-04 -0.31969E-05 2877 0.166E-02 8324 T= 6460. E= 0.68199012E+03 F= 0.62854764E+03 E0= 0.65845813E+03 EK= 0.53442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368068736583E+03 -0.49988E+00 -0.17328E-01 8340 0.241E+01 0.262E-01 RMM: 2 -0.368083167841E+03 -0.14431E-01 -0.79091E-02 5126 0.654E-01 0.114E+00 RMM: 3 -0.368074625114E+03 0.85427E-02 -0.92745E-03 5375 0.218E-01 0.173E-01 RMM: 4 -0.368074772126E+03 -0.14701E-03 -0.10174E-03 4657 0.682E-02 0.243E-01 RMM: 5 -0.368074393370E+03 0.37876E-03 -0.20754E-04 3877 0.368E-02 0.872E-02 RMM: 6 -0.368074350816E+03 0.42553E-04 -0.51296E-05 3226 0.209E-02 0.463E-02 RMM: 7 -0.368074364696E+03 -0.13880E-04 -0.37200E-05 2860 0.179E-02 8325 T= 6846. E= 0.68478852E+03 F= 0.62815745E+03 E0= 0.65808245E+03 EK= 0.56631E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368353289177E+03 -0.27894E+00 -0.18201E-01 8196 0.246E+01 0.247E-01 RMM: 2 -0.368366770100E+03 -0.13481E-01 -0.77641E-02 5151 0.660E-01 0.107E+00 RMM: 3 -0.368359197566E+03 0.75725E-02 -0.84023E-03 5427 0.206E-01 0.235E-01 RMM: 4 -0.368359028019E+03 0.16955E-03 -0.10815E-03 4641 0.742E-02 0.194E-01 RMM: 5 -0.368358826957E+03 0.20106E-03 -0.21941E-04 3895 0.391E-02 0.106E-01 RMM: 6 -0.368358755377E+03 0.71580E-04 -0.51301E-05 3239 0.215E-02 0.352E-02 RMM: 7 -0.368358761583E+03 -0.62062E-05 -0.21712E-05 2558 0.133E-02 8326 T= 7052. E= 0.68632497E+03 F= 0.62798273E+03 E0= 0.65792303E+03 EK= 0.58342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368379102741E+03 -0.20347E-01 -0.18718E-01 8172 0.247E+01 0.217E-01 RMM: 2 -0.368392439361E+03 -0.13337E-01 -0.86113E-02 5063 0.669E-01 0.984E-01 RMM: 3 -0.368385695484E+03 0.67439E-02 -0.84053E-03 5464 0.201E-01 0.156E-01 RMM: 4 -0.368385732875E+03 -0.37391E-04 -0.76842E-04 4654 0.615E-02 0.192E-01 RMM: 5 -0.368385493229E+03 0.23965E-03 -0.15022E-04 3876 0.311E-02 0.785E-02 RMM: 6 -0.368385463698E+03 0.29531E-04 -0.50130E-05 3216 0.204E-02 0.493E-02 RMM: 7 -0.368385486525E+03 -0.22827E-04 -0.36991E-05 2782 0.170E-02 0.852E-02 RMM: 8 -0.368385442204E+03 0.44321E-04 -0.35034E-05 2823 0.176E-02 0.219E-02 RMM: 9 -0.368385447072E+03 -0.48678E-05 -0.13251E-05 2456 0.107E-02 8327 T= 6984. E= 0.68583727E+03 F= 0.62806186E+03 E0= 0.65801642E+03 EK= 0.57775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368174066693E+03 0.21138E+00 -0.17647E-01 7896 0.243E+01 0.160E-01 RMM: 2 -0.368182761335E+03 -0.86946E-02 -0.80139E-02 5151 0.626E-01 0.523E-01 RMM: 3 -0.368180220952E+03 0.25404E-02 -0.63289E-03 5636 0.170E-01 0.130E-01 RMM: 4 -0.368180288408E+03 -0.67456E-04 -0.53317E-04 4583 0.542E-02 0.185E-01 RMM: 5 -0.368180063433E+03 0.22497E-03 -0.14789E-04 3877 0.333E-02 0.593E-02 RMM: 6 -0.368180053107E+03 0.10326E-04 -0.34808E-05 2928 0.176E-02 8328 T= 6674. E= 0.68358503E+03 F= 0.62837093E+03 E0= 0.65833883E+03 EK= 0.55214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367814453644E+03 0.36561E+00 -0.17003E-01 8400 0.236E+01 0.258E-01 RMM: 2 -0.367834953667E+03 -0.20500E-01 -0.83519E-02 5201 0.665E-01 0.144E+00 RMM: 3 -0.367820759537E+03 0.14194E-01 -0.94631E-03 5381 0.224E-01 0.245E-01 RMM: 4 -0.367820382772E+03 0.37677E-03 -0.98099E-04 4670 0.654E-02 0.108E-01 RMM: 5 -0.367820345939E+03 0.36832E-04 -0.16767E-04 3891 0.354E-02 0.108E-01 RMM: 6 -0.367820287218E+03 0.58722E-04 -0.73947E-05 3551 0.240E-02 0.673E-02 RMM: 7 -0.367820346611E+03 -0.59393E-04 -0.89234E-05 3804 0.252E-02 0.116E-01 RMM: 8 -0.367820262396E+03 0.84214E-04 -0.48749E-05 3246 0.205E-02 0.339E-02 RMM: 9 -0.367820259997E+03 0.23989E-05 -0.13419E-05 2479 0.106E-02 8329 T= 6264. E= 0.68065139E+03 F= 0.62883326E+03 E0= 0.65881282E+03 EK= 0.51818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367397542647E+03 0.42272E+00 -0.15948E-01 8124 0.229E+01 0.232E-01 RMM: 2 -0.367415203871E+03 -0.17661E-01 -0.79478E-02 5110 0.649E-01 0.129E+00 RMM: 3 -0.367403630113E+03 0.11574E-01 -0.85903E-03 5397 0.212E-01 0.224E-01 RMM: 4 -0.367403349708E+03 0.28041E-03 -0.99687E-04 4658 0.693E-02 0.128E-01 RMM: 5 -0.367403274431E+03 0.75277E-04 -0.17727E-04 3888 0.371E-02 0.101E-01 RMM: 6 -0.367403215189E+03 0.59242E-04 -0.53879E-05 3239 0.219E-02 0.456E-02 RMM: 7 -0.367403241866E+03 -0.26677E-04 -0.42374E-05 3025 0.186E-02 0.833E-02 RMM: 8 -0.367403199154E+03 0.42711E-04 -0.30404E-05 2726 0.177E-02 0.206E-02 RMM: 9 -0.367403198710E+03 0.44437E-06 -0.75160E-06 2439 0.749E-03 8330 T= 5910. E= 0.67824375E+03 F= 0.62935162E+03 E0= 0.65934215E+03 EK= 0.48892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367007575243E+03 0.39562E+00 -0.15477E-01 8148 0.224E+01 0.186E-01 RMM: 2 -0.367018902464E+03 -0.11327E-01 -0.72954E-02 5218 0.618E-01 0.903E-01 RMM: 3 -0.367013326991E+03 0.55755E-02 -0.65223E-03 5583 0.168E-01 0.169E-01 RMM: 4 -0.367013143146E+03 0.18384E-03 -0.54348E-04 4625 0.515E-02 0.110E-01 RMM: 5 -0.367013067232E+03 0.75914E-04 -0.11781E-04 3873 0.306E-02 0.741E-02 RMM: 6 -0.367013057288E+03 0.99446E-05 -0.44948E-05 3128 0.192E-02 8331 T= 5724. E= 0.67719512E+03 F= 0.62984071E+03 E0= 0.65984209E+03 EK= 0.47354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366700916810E+03 0.31215E+00 -0.15055E-01 8124 0.223E+01 0.267E-01 RMM: 2 -0.366718435195E+03 -0.17518E-01 -0.66405E-02 5249 0.596E-01 0.140E+00 RMM: 3 -0.366705687785E+03 0.12747E-01 -0.86784E-03 5353 0.219E-01 0.223E-01 RMM: 4 -0.366705402067E+03 0.28572E-03 -0.92117E-04 4663 0.609E-02 0.119E-01 RMM: 5 -0.366705371368E+03 0.30699E-04 -0.16725E-04 3893 0.348E-02 0.119E-01 RMM: 6 -0.366705289263E+03 0.82106E-04 -0.80547E-05 3591 0.251E-02 0.573E-02 RMM: 7 -0.366705347986E+03 -0.58723E-04 -0.72366E-05 3560 0.231E-02 0.110E-01 RMM: 8 -0.366705277286E+03 0.70700E-04 -0.36989E-05 3010 0.190E-02 0.357E-02 RMM: 9 -0.366705272990E+03 0.42968E-05 -0.12053E-05 2474 0.993E-03 8332 T= 5757. E= 0.67787045E+03 F= 0.63024343E+03 E0= 0.66025541E+03 EK= 0.47627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366494970040E+03 0.21031E+00 -0.15296E-01 7944 0.225E+01 0.237E-01 RMM: 2 -0.366509947724E+03 -0.14978E-01 -0.75641E-02 4993 0.641E-01 0.118E+00 RMM: 3 -0.366500815640E+03 0.91321E-02 -0.91250E-03 5369 0.217E-01 0.238E-01 RMM: 4 -0.366500480643E+03 0.33500E-03 -0.98428E-04 4647 0.660E-02 0.119E-01 RMM: 5 -0.366500460137E+03 0.20506E-04 -0.16663E-04 3883 0.346E-02 0.115E-01 RMM: 6 -0.366500370429E+03 0.89709E-04 -0.47920E-05 3175 0.206E-02 0.317E-02 RMM: 7 -0.366500379237E+03 -0.88083E-05 -0.24161E-05 2555 0.144E-02 8333 T= 6006. E= 0.68022512E+03 F= 0.63053768E+03 E0= 0.66056304E+03 EK= 0.49687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366378114509E+03 0.12226E+00 -0.16190E-01 8172 0.231E+01 0.212E-01 RMM: 2 -0.366390753031E+03 -0.12639E-01 -0.72100E-02 5145 0.618E-01 0.103E+00 RMM: 3 -0.366383672182E+03 0.70808E-02 -0.72494E-03 5426 0.182E-01 0.175E-01 RMM: 4 -0.366383568836E+03 0.10335E-03 -0.75441E-04 4641 0.596E-02 0.147E-01 RMM: 5 -0.366383459185E+03 0.10965E-03 -0.13343E-04 3883 0.278E-02 0.973E-02 RMM: 6 -0.366383404597E+03 0.54589E-04 -0.45847E-05 3175 0.196E-02 0.436E-02 RMM: 7 -0.366383439602E+03 -0.35005E-04 -0.45033E-05 3109 0.182E-02 0.913E-02 RMM: 8 -0.366383387562E+03 0.52039E-04 -0.34631E-05 2808 0.180E-02 0.227E-02 RMM: 9 -0.366383387844E+03 -0.28135E-06 -0.94929E-06 2450 0.881E-03 8334 T= 6411. E= 0.68377371E+03 F= 0.63073759E+03 E0= 0.66077964E+03 EK= 0.53036E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366306771921E+03 0.76616E-01 -0.17364E-01 8244 0.238E+01 0.189E-01 RMM: 2 -0.366318289171E+03 -0.11517E-01 -0.93249E-02 4959 0.711E-01 0.769E-01 RMM: 3 -0.366314439332E+03 0.38498E-02 -0.97699E-03 5807 0.184E-01 0.128E-01 RMM: 4 -0.366314409135E+03 0.30197E-04 -0.66427E-04 4636 0.617E-02 0.190E-01 RMM: 5 -0.366314189121E+03 0.22001E-03 -0.14969E-04 3870 0.318E-02 0.804E-02 RMM: 6 -0.366314149029E+03 0.40092E-04 -0.37647E-05 3019 0.182E-02 0.322E-02 RMM: 7 -0.366314157150E+03 -0.81210E-05 -0.24323E-05 2522 0.147E-02 8335 T= 6844. E= 0.68750251E+03 F= 0.63088342E+03 E0= 0.66094830E+03 EK= 0.56619E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366233758744E+03 0.80390E-01 -0.18747E-01 8040 0.244E+01 0.190E-01 RMM: 2 -0.366246069524E+03 -0.12311E-01 -0.10203E-01 5014 0.738E-01 0.746E-01 RMM: 3 -0.366242346191E+03 0.37233E-02 -0.10620E-02 5846 0.192E-01 0.161E-01 RMM: 4 -0.366242175396E+03 0.17080E-03 -0.67276E-04 4650 0.606E-02 0.159E-01 RMM: 5 -0.366242014348E+03 0.16105E-03 -0.13087E-04 3857 0.287E-02 0.754E-02 RMM: 6 -0.366241989640E+03 0.24708E-04 -0.37036E-05 2996 0.179E-02 0.475E-02 RMM: 7 -0.366242008618E+03 -0.18978E-04 -0.41814E-05 2994 0.177E-02 8336 T= 7133. E= 0.69003277E+03 F= 0.63102680E+03 E0= 0.66112189E+03 EK= 0.59006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366118047479E+03 0.12394E+00 -0.18771E-01 8388 0.246E+01 0.180E-01 RMM: 2 -0.366128853392E+03 -0.10806E-01 -0.90532E-02 5089 0.686E-01 0.711E-01 RMM: 3 -0.366125439416E+03 0.34140E-02 -0.86426E-03 5872 0.177E-01 0.134E-01 RMM: 4 -0.366125398968E+03 0.40448E-04 -0.59615E-04 4638 0.585E-02 0.176E-01 RMM: 5 -0.366125203942E+03 0.19503E-03 -0.12898E-04 3845 0.288E-02 0.759E-02 RMM: 6 -0.366125174171E+03 0.29772E-04 -0.31684E-05 2927 0.170E-02 0.374E-02 RMM: 7 -0.366125186609E+03 -0.12438E-04 -0.27142E-05 2577 0.149E-02 8337 T= 7140. E= 0.69027837E+03 F= 0.63121090E+03 E0= 0.66134482E+03 EK= 0.59067E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365947295018E+03 0.17788E+00 -0.18259E-01 8592 0.243E+01 0.180E-01 RMM: 2 -0.365959210758E+03 -0.11916E-01 -0.87556E-02 5222 0.663E-01 0.835E-01 RMM: 3 -0.365954290287E+03 0.49205E-02 -0.74954E-03 5689 0.175E-01 0.159E-01 RMM: 4 -0.365954153596E+03 0.13669E-03 -0.56132E-04 4624 0.529E-02 0.119E-01 RMM: 5 -0.365954063730E+03 0.89867E-04 -0.97017E-05 3758 0.236E-02 0.796E-02 RMM: 6 -0.365954037755E+03 0.25974E-04 -0.42032E-05 3075 0.190E-02 0.522E-02 RMM: 7 -0.365954065178E+03 -0.27423E-04 -0.39404E-05 2925 0.172E-02 0.896E-02 RMM: 8 -0.365954016060E+03 0.49118E-04 -0.35224E-05 2790 0.179E-02 0.238E-02 RMM: 9 -0.365954016256E+03 -0.19645E-06 -0.10752E-05 2450 0.911E-03 8338 T= 6861. E= 0.68820242E+03 F= 0.63144676E+03 E0= 0.66162646E+03 EK= 0.56756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365747369610E+03 0.20665E+00 -0.17983E-01 8604 0.236E+01 0.176E-01 RMM: 2 -0.365758982037E+03 -0.11612E-01 -0.92730E-02 5104 0.682E-01 0.757E-01 RMM: 3 -0.365754821994E+03 0.41600E-02 -0.82563E-03 5813 0.182E-01 0.150E-01 RMM: 4 -0.365754656288E+03 0.16571E-03 -0.56009E-04 4611 0.534E-02 0.121E-01 RMM: 5 -0.365754585626E+03 0.70662E-04 -0.10612E-04 3783 0.275E-02 0.872E-02 RMM: 6 -0.365754544680E+03 0.40946E-04 -0.41696E-05 3070 0.193E-02 0.408E-02 RMM: 7 -0.365754565139E+03 -0.20460E-04 -0.28251E-05 2588 0.156E-02 0.730E-02 RMM: 8 -0.365754533391E+03 0.31748E-04 -0.19521E-05 2529 0.138E-02 0.212E-02 RMM: 9 -0.365754534894E+03 -0.15030E-05 -0.84985E-06 2439 0.795E-03 8339 T= 6424. E= 0.68485132E+03 F= 0.63170923E+03 E0= 0.66193966E+03 EK= 0.53142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365560929516E+03 0.19360E+00 -0.16707E-01 8772 0.228E+01 0.160E-01 RMM: 2 -0.365572253772E+03 -0.11324E-01 -0.86814E-02 5170 0.644E-01 0.755E-01 RMM: 3 -0.365567910174E+03 0.43436E-02 -0.72102E-03 5686 0.171E-01 0.135E-01 RMM: 4 -0.365567795373E+03 0.11480E-03 -0.50029E-04 4477 0.493E-02 0.109E-01 RMM: 5 -0.365567721973E+03 0.73400E-04 -0.88282E-05 3728 0.259E-02 0.672E-02 RMM: 6 -0.365567710573E+03 0.11400E-04 -0.31708E-05 2827 0.165E-02 8340 T= 6004. E= 0.68162382E+03 F= 0.63195743E+03 E0= 0.66224079E+03 EK= 0.49666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365415877157E+03 0.15184E+00 -0.16377E-01 8616 0.222E+01 0.248E-01 RMM: 2 -0.365435073500E+03 -0.19196E-01 -0.92272E-02 5103 0.667E-01 0.133E+00 RMM: 3 -0.365423003807E+03 0.12070E-01 -0.10232E-02 5399 0.227E-01 0.210E-01 RMM: 4 -0.365422724866E+03 0.27894E-03 -0.95971E-04 4874 0.597E-02 0.104E-01 RMM: 5 -0.365422690095E+03 0.34771E-04 -0.13558E-04 3878 0.320E-02 0.994E-02 RMM: 6 -0.365422645935E+03 0.44160E-04 -0.70228E-05 3515 0.229E-02 0.676E-02 RMM: 7 -0.365422709680E+03 -0.63745E-04 -0.78264E-05 3681 0.237E-02 0.117E-01 RMM: 8 -0.365422634123E+03 0.75557E-04 -0.45663E-05 3170 0.198E-02 0.449E-02 RMM: 9 -0.365422628545E+03 0.55780E-05 -0.18560E-05 2520 0.125E-02 8341 T= 5732. E= 0.67958418E+03 F= 0.63216165E+03 E0= 0.66249629E+03 EK= 0.47423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365314619352E+03 0.10801E+00 -0.16466E-01 8556 0.220E+01 0.247E-01 RMM: 2 -0.365334844267E+03 -0.20225E-01 -0.90319E-02 5211 0.633E-01 0.137E+00 RMM: 3 -0.365321325265E+03 0.13519E-01 -0.90849E-03 5387 0.217E-01 0.241E-01 RMM: 4 -0.365320967815E+03 0.35745E-03 -0.11174E-03 4680 0.709E-02 0.117E-01 RMM: 5 -0.365320971431E+03 -0.36157E-05 -0.16479E-04 3880 0.329E-02 8342 T= 5676. E= 0.67927152E+03 F= 0.63231910E+03 E0= 0.66270165E+03 EK= 0.46952E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365218594487E+03 0.10237E+00 -0.17365E-01 8640 0.222E+01 0.211E-01 RMM: 2 -0.365234312319E+03 -0.15718E-01 -0.10633E-01 5282 0.677E-01 0.991E-01 RMM: 3 -0.365226903235E+03 0.74091E-02 -0.90440E-03 5470 0.200E-01 0.211E-01 RMM: 4 -0.365226609231E+03 0.29400E-03 -0.80068E-04 4815 0.576E-02 0.108E-01 RMM: 5 -0.365226569667E+03 0.39564E-04 -0.13200E-04 3890 0.276E-02 0.104E-01 RMM: 6 -0.365226521167E+03 0.48500E-04 -0.69922E-05 3497 0.225E-02 0.716E-02 RMM: 7 -0.365226608688E+03 -0.87521E-04 -0.11603E-04 3888 0.266E-02 0.136E-01 RMM: 8 -0.365226503829E+03 0.10486E-03 -0.75180E-05 3612 0.231E-02 0.467E-02 RMM: 9 -0.365226491792E+03 0.12036E-04 -0.15676E-05 2502 0.116E-02 8343 T= 5841. E= 0.68078906E+03 F= 0.63246496E+03 E0= 0.66288868E+03 EK= 0.48324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365059707919E+03 0.16680E+00 -0.19019E-01 8796 0.229E+01 0.205E-01 RMM: 2 -0.365075640460E+03 -0.15933E-01 -0.11400E-01 5276 0.676E-01 0.948E-01 RMM: 3 -0.365068159948E+03 0.74805E-02 -0.80212E-03 5497 0.187E-01 0.160E-01 RMM: 4 -0.365068212275E+03 -0.52327E-04 -0.92167E-04 4684 0.668E-02 0.203E-01 RMM: 5 -0.365067979367E+03 0.23291E-03 -0.16611E-04 3880 0.324E-02 0.900E-02 RMM: 6 -0.365067928390E+03 0.50977E-04 -0.34916E-05 2963 0.180E-02 0.264E-02 RMM: 7 -0.365067931408E+03 -0.30180E-05 -0.13887E-05 2490 0.109E-02 8344 T= 6186. E= 0.68384148E+03 F= 0.63266984E+03 E0= 0.66312596E+03 EK= 0.51172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364744211571E+03 0.32372E+00 -0.20748E-01 8988 0.237E+01 0.164E-01 RMM: 2 -0.364758396098E+03 -0.14185E-01 -0.12517E-01 5621 0.683E-01 0.655E-01 RMM: 3 -0.364753891590E+03 0.45045E-02 -0.69799E-03 5521 0.170E-01 0.156E-01 RMM: 4 -0.364753768400E+03 0.12319E-03 -0.64707E-04 4522 0.527E-02 0.126E-01 RMM: 5 -0.364753664740E+03 0.10366E-03 -0.10274E-04 3801 0.255E-02 0.773E-02 RMM: 6 -0.364753642052E+03 0.22688E-04 -0.27987E-05 2678 0.155E-02 0.600E-02 RMM: 7 -0.364753660812E+03 -0.18760E-04 -0.10758E-04 3888 0.239E-02 8345 T= 6605. E= 0.68766508E+03 F= 0.63302533E+03 E0= 0.66350284E+03 EK= 0.54640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364193336367E+03 0.56031E+00 -0.23463E-01 8928 0.244E+01 0.181E-01 RMM: 2 -0.364210878696E+03 -0.17542E-01 -0.14805E-01 5504 0.751E-01 0.776E-01 RMM: 3 -0.364204788636E+03 0.60901E-02 -0.86495E-03 5450 0.199E-01 0.182E-01 RMM: 4 -0.364204684019E+03 0.10462E-03 -0.90211E-04 4742 0.632E-02 0.147E-01 RMM: 5 -0.364204552418E+03 0.13160E-03 -0.13302E-04 3883 0.281E-02 0.874E-02 RMM: 6 -0.364204512551E+03 0.39867E-04 -0.29502E-05 2780 0.165E-02 0.482E-02 RMM: 7 -0.364204525854E+03 -0.13303E-04 -0.37792E-05 2858 0.168E-02 8346 T= 6945. E= 0.69106636E+03 F= 0.63361108E+03 E0= 0.66409798E+03 EK= 0.57455E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363398534847E+03 0.80598E+00 -0.25641E-01 8964 0.248E+01 0.249E-01 RMM: 2 -0.363422516398E+03 -0.23982E-01 -0.16986E-01 5571 0.825E-01 0.116E+00 RMM: 3 -0.363411503993E+03 0.11012E-01 -0.11376E-02 5745 0.220E-01 0.241E-01 RMM: 4 -0.363411084627E+03 0.41937E-03 -0.10053E-03 4761 0.658E-02 0.120E-01 RMM: 5 -0.363411029002E+03 0.55625E-04 -0.13951E-04 3869 0.292E-02 0.109E-01 RMM: 6 -0.363410968663E+03 0.60338E-04 -0.44068E-05 3112 0.195E-02 0.664E-02 RMM: 7 -0.363410999478E+03 -0.30815E-04 -0.56384E-05 3325 0.198E-02 0.105E-01 RMM: 8 -0.363410934874E+03 0.64604E-04 -0.11961E-04 3889 0.252E-02 0.510E-02 RMM: 9 -0.363410919927E+03 0.14947E-04 -0.21942E-05 2587 0.125E-02 8347 T= 7062. E= 0.69285685E+03 F= 0.63443750E+03 E0= 0.66492298E+03 EK= 0.58419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362468902407E+03 0.94203E+00 -0.27745E-01 9024 0.246E+01 0.257E-01 RMM: 2 -0.362496352638E+03 -0.27450E-01 -0.20105E-01 5555 0.900E-01 0.120E+00 RMM: 3 -0.362484407963E+03 0.11945E-01 -0.13258E-02 5552 0.233E-01 0.210E-01 RMM: 4 -0.362484210295E+03 0.19767E-03 -0.11922E-03 4794 0.717E-02 0.183E-01 RMM: 5 -0.362483987375E+03 0.22292E-03 -0.18244E-04 3902 0.333E-02 0.933E-02 RMM: 6 -0.362483950704E+03 0.36671E-04 -0.57183E-05 3287 0.218E-02 0.679E-02 RMM: 7 -0.362483959444E+03 -0.87394E-05 -0.64318E-05 3389 0.211E-02 8348 T= 6910. E= 0.69255926E+03 F= 0.63539421E+03 E0= 0.66586941E+03 EK= 0.57165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361629130330E+03 0.85482E+00 -0.26877E-01 9036 0.239E+01 0.320E-01 RMM: 2 -0.361664512907E+03 -0.35383E-01 -0.20077E-01 5553 0.938E-01 0.163E+00 RMM: 3 -0.361644915101E+03 0.19598E-01 -0.15531E-02 5484 0.262E-01 0.341E-01 RMM: 4 -0.361644132380E+03 0.78272E-03 -0.16200E-03 4726 0.835E-02 0.136E-01 RMM: 5 -0.361644041534E+03 0.90846E-04 -0.22630E-04 3946 0.373E-02 0.117E-01 RMM: 6 -0.361643992790E+03 0.48744E-04 -0.74276E-05 3562 0.243E-02 0.861E-02 RMM: 7 -0.361644055872E+03 -0.63083E-04 -0.11142E-04 3890 0.266E-02 0.135E-01 RMM: 8 -0.361643949487E+03 0.10639E-03 -0.10155E-04 3862 0.262E-02 0.481E-02 RMM: 9 -0.361643955559E+03 -0.60723E-05 -0.36175E-05 2921 0.170E-02 8349 T= 6581. E= 0.69070570E+03 F= 0.63626143E+03 E0= 0.66671864E+03 EK= 0.54444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361121949244E+03 0.52200E+00 -0.24986E-01 9060 0.231E+01 0.341E-01 RMM: 2 -0.361152128197E+03 -0.30179E-01 -0.18830E-01 5460 0.919E-01 0.148E+00 RMM: 3 -0.361136222229E+03 0.15906E-01 -0.16006E-02 5555 0.265E-01 0.293E-01 RMM: 4 -0.361135815018E+03 0.40721E-03 -0.17096E-03 4718 0.890E-02 0.216E-01 RMM: 5 -0.361135598611E+03 0.21641E-03 -0.33961E-04 4001 0.455E-02 0.157E-01 RMM: 6 -0.361135441379E+03 0.15723E-03 -0.13816E-04 3886 0.335E-02 0.446E-02 RMM: 7 -0.361135460184E+03 -0.18805E-04 -0.37191E-05 2910 0.174E-02 8350 T= 6236. E= 0.68838104E+03 F= 0.63679471E+03 E0= 0.66722809E+03 EK= 0.51586E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361102840110E+03 0.32601E-01 -0.23062E-01 9000 0.224E+01 0.267E-01 RMM: 2 -0.361128888561E+03 -0.26048E-01 -0.15393E-01 5599 0.785E-01 0.135E+00 RMM: 3 -0.361114850814E+03 0.14038E-01 -0.10305E-02 5501 0.213E-01 0.276E-01 RMM: 4 -0.361114336955E+03 0.51386E-03 -0.11268E-03 4694 0.712E-02 0.114E-01 RMM: 5 -0.361114285411E+03 0.51545E-04 -0.17025E-04 3922 0.312E-02 0.107E-01 RMM: 6 -0.361114238593E+03 0.46817E-04 -0.63623E-05 3411 0.225E-02 0.736E-02 RMM: 7 -0.361114287187E+03 -0.48593E-04 -0.97776E-05 3854 0.254E-02 0.113E-01 RMM: 8 -0.361114215015E+03 0.72172E-04 -0.72489E-05 3566 0.223E-02 0.434E-02 RMM: 9 -0.361114212143E+03 0.28713E-05 -0.19992E-05 2543 0.130E-02 8351 T= 6009. E= 0.68655265E+03 F= 0.63683815E+03 E0= 0.66724028E+03 EK= 0.49715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361572255744E+03 -0.45804E+00 -0.23887E-01 9000 0.221E+01 0.228E-01 RMM: 2 -0.361593203472E+03 -0.20948E-01 -0.16504E-01 5699 0.764E-01 0.962E-01 RMM: 3 -0.361584876382E+03 0.83271E-02 -0.92565E-03 5481 0.199E-01 0.173E-01 RMM: 4 -0.361584907500E+03 -0.31118E-04 -0.94683E-04 4739 0.645E-02 0.202E-01 RMM: 5 -0.361584642539E+03 0.26496E-03 -0.16404E-04 3923 0.301E-02 0.891E-02 RMM: 6 -0.361584598726E+03 0.43813E-04 -0.46898E-05 3162 0.201E-02 0.452E-02 RMM: 7 -0.361584618660E+03 -0.19934E-04 -0.33283E-05 2740 0.160E-02 8352 T= 5967. E= 0.68575191E+03 F= 0.63638697E+03 E0= 0.66675058E+03 EK= 0.49365E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362399320772E+03 -0.81472E+00 -0.28288E-01 9132 0.222E+01 0.234E-01 RMM: 2 -0.362424283528E+03 -0.24963E-01 -0.18864E-01 6037 0.814E-01 0.107E+00 RMM: 3 -0.362414680062E+03 0.96035E-02 -0.93426E-03 5380 0.201E-01 0.236E-01 RMM: 4 -0.362414366780E+03 0.31328E-03 -0.10546E-03 4760 0.665E-02 0.140E-01 RMM: 5 -0.362414256097E+03 0.11068E-03 -0.14721E-04 3921 0.295E-02 0.889E-02 RMM: 6 -0.362414233678E+03 0.22418E-04 -0.43115E-05 3104 0.189E-02 0.740E-02 RMM: 7 -0.362414282079E+03 -0.48401E-04 -0.93603E-05 3837 0.231E-02 0.116E-01 RMM: 8 -0.362414203432E+03 0.78648E-04 -0.63008E-05 3416 0.214E-02 0.342E-02 RMM: 9 -0.362414207414E+03 -0.39821E-05 -0.21277E-05 2537 0.134E-02 8353 T= 6103. E= 0.68605955E+03 F= 0.63557333E+03 E0= 0.66589082E+03 EK= 0.50486E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363366035626E+03 -0.95183E+00 -0.34683E-01 9072 0.227E+01 0.252E-01 RMM: 2 -0.363394273242E+03 -0.28238E-01 -0.24028E-01 5829 0.915E-01 0.971E-01 RMM: 3 -0.363385361045E+03 0.89122E-02 -0.13222E-02 5458 0.222E-01 0.236E-01 RMM: 4 -0.363385086925E+03 0.27412E-03 -0.13256E-03 4777 0.751E-02 0.193E-01 RMM: 5 -0.363384863493E+03 0.22343E-03 -0.23410E-04 3923 0.374E-02 0.112E-01 RMM: 6 -0.363384799026E+03 0.64467E-04 -0.63285E-05 3391 0.229E-02 0.653E-02 RMM: 7 -0.363384797468E+03 0.15582E-05 -0.60455E-05 3283 0.201E-02 8354 T= 6351. E= 0.68715820E+03 F= 0.63461526E+03 E0= 0.66487730E+03 EK= 0.52543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364232680461E+03 -0.84788E+00 -0.40677E-01 9024 0.233E+01 0.245E-01 RMM: 2 -0.364265889845E+03 -0.33209E-01 -0.27396E-01 5926 0.956E-01 0.108E+00 RMM: 3 -0.364254726312E+03 0.11164E-01 -0.12655E-02 5421 0.225E-01 0.250E-01 RMM: 4 -0.364254394474E+03 0.33184E-03 -0.13069E-03 4871 0.718E-02 0.160E-01 RMM: 5 -0.364254250757E+03 0.14372E-03 -0.18283E-04 3917 0.325E-02 0.116E-01 RMM: 6 -0.364254236656E+03 0.14101E-04 -0.55612E-05 3303 0.208E-02 8355 T= 6606. E= 0.68840356E+03 F= 0.63375491E+03 E0= 0.66395369E+03 EK= 0.54649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364789301189E+03 -0.53505E+00 -0.44958E-01 8940 0.239E+01 0.419E-01 RMM: 2 -0.364851845460E+03 -0.62544E-01 -0.30693E-01 5685 0.103E+00 0.231E+00 RMM: 3 -0.364813189930E+03 0.38656E-01 -0.24955E-02 5363 0.346E-01 0.397E-01 RMM: 4 -0.364812185843E+03 0.10041E-02 -0.27566E-03 4909 0.102E-01 0.174E-01 RMM: 5 -0.364812062764E+03 0.12308E-03 -0.31949E-04 3952 0.421E-02 0.144E-01 RMM: 6 -0.364811979198E+03 0.83565E-04 -0.92156E-05 3742 0.261E-02 0.962E-02 RMM: 7 -0.364812074182E+03 -0.94984E-04 -0.13090E-04 3891 0.305E-02 0.150E-01 RMM: 8 -0.364811971273E+03 0.10291E-03 -0.15148E-04 3895 0.270E-02 0.787E-02 RMM: 9 -0.364811949340E+03 0.21933E-04 -0.63184E-05 3406 0.212E-02 0.514E-02 RMM: 10 -0.364811947961E+03 0.13791E-05 -0.18670E-05 2568 0.141E-02 8356 T= 6750. E= 0.68904345E+03 F= 0.63320295E+03 E0= 0.66333569E+03 EK= 0.55841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364914541383E+03 -0.10259E+00 -0.47629E-01 8940 0.241E+01 0.416E-01 RMM: 2 -0.364971377046E+03 -0.56836E-01 -0.30640E-01 5715 0.102E+00 0.212E+00 RMM: 3 -0.364938703663E+03 0.32673E-01 -0.21272E-02 5362 0.323E-01 0.420E-01 RMM: 4 -0.364937747772E+03 0.95589E-03 -0.30862E-03 5122 0.117E-01 0.223E-01 RMM: 5 -0.364937621406E+03 0.12637E-03 -0.51520E-04 4383 0.547E-02 0.186E-01 RMM: 6 -0.364937422086E+03 0.19932E-03 -0.15269E-04 3889 0.313E-02 0.745E-02 RMM: 7 -0.364937507676E+03 -0.85590E-04 -0.10868E-04 3843 0.258E-02 0.131E-01 RMM: 8 -0.364937424894E+03 0.82782E-04 -0.87619E-05 3714 0.247E-02 0.497E-02 RMM: 9 -0.364937428980E+03 -0.40858E-05 -0.34005E-05 2902 0.162E-02 8357 T= 6713. E= 0.68861193E+03 F= 0.63308003E+03 E0= 0.66314248E+03 EK= 0.55532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364615725704E+03 0.32170E+00 -0.52188E-01 8916 0.239E+01 0.243E-01 RMM: 2 -0.364649511575E+03 -0.33786E-01 -0.28201E-01 6324 0.962E-01 0.105E+00 RMM: 3 -0.364639606231E+03 0.99053E-02 -0.11622E-02 5444 0.222E-01 0.209E-01 RMM: 4 -0.364639428908E+03 0.17732E-03 -0.11846E-03 4827 0.688E-02 0.166E-01 RMM: 5 -0.364639264605E+03 0.16430E-03 -0.17079E-04 3999 0.293E-02 0.968E-02 RMM: 6 -0.364639232345E+03 0.32260E-04 -0.45537E-05 3138 0.195E-02 0.697E-02 RMM: 7 -0.364639286938E+03 -0.54593E-04 -0.95625E-05 3813 0.245E-02 0.115E-01 RMM: 8 -0.364639205858E+03 0.81080E-04 -0.66331E-05 3405 0.205E-02 0.294E-02 RMM: 9 -0.364639208688E+03 -0.28305E-05 -0.17355E-05 2522 0.118E-02 8358 T= 6511. E= 0.68723994E+03 F= 0.63337758E+03 E0= 0.66337135E+03 EK= 0.53862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364023965744E+03 0.61524E+00 -0.53111E-01 8952 0.234E+01 0.312E-01 RMM: 2 -0.364066723814E+03 -0.42758E-01 -0.28671E-01 6020 0.101E+00 0.157E+00 RMM: 3 -0.364047587006E+03 0.19137E-01 -0.15180E-02 5471 0.256E-01 0.255E-01 RMM: 4 -0.364047263234E+03 0.32377E-03 -0.16821E-03 4757 0.847E-02 0.184E-01 RMM: 5 -0.364047088715E+03 0.17452E-03 -0.25108E-04 3908 0.375E-02 0.120E-01 RMM: 6 -0.364047019011E+03 0.69704E-04 -0.77515E-05 3547 0.244E-02 0.707E-02 RMM: 7 -0.364047075782E+03 -0.56771E-04 -0.85299E-05 3742 0.238E-02 0.118E-01 RMM: 8 -0.364046992448E+03 0.83334E-04 -0.81239E-05 3743 0.230E-02 0.362E-02 RMM: 9 -0.364046993386E+03 -0.93820E-06 -0.20010E-05 2561 0.127E-02 8359 T= 6238. E= 0.68557256E+03 F= 0.63396577E+03 E0= 0.66389475E+03 EK= 0.51607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363347124517E+03 0.69987E+00 -0.47026E-01 9000 0.229E+01 0.246E-01 RMM: 2 -0.363380553105E+03 -0.33429E-01 -0.26691E-01 5829 0.102E+00 0.111E+00 RMM: 3 -0.363369917402E+03 0.10636E-01 -0.14283E-02 5446 0.253E-01 0.200E-01 RMM: 4 -0.363369838470E+03 0.78932E-04 -0.14507E-03 4890 0.777E-02 0.200E-01 RMM: 5 -0.363369585027E+03 0.25344E-03 -0.23141E-04 3908 0.371E-02 0.922E-02 RMM: 6 -0.363369563727E+03 0.21301E-04 -0.58079E-05 3327 0.210E-02 0.808E-02 RMM: 7 -0.363369587920E+03 -0.24193E-04 -0.10567E-04 3882 0.260E-02 0.105E-01 RMM: 8 -0.363369523003E+03 0.64917E-04 -0.59004E-05 3346 0.209E-02 0.300E-02 RMM: 9 -0.363369538028E+03 -0.15025E-04 -0.23037E-05 2560 0.141E-02 8360 T= 6013. E= 0.68437634E+03 F= 0.63463569E+03 E0= 0.66450428E+03 EK= 0.49741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362810769386E+03 0.55875E+00 -0.34318E-01 8916 0.226E+01 0.255E-01 RMM: 2 -0.362839325074E+03 -0.28556E-01 -0.21372E-01 5588 0.943E-01 0.117E+00 RMM: 3 -0.362828677801E+03 0.10647E-01 -0.13538E-02 5503 0.242E-01 0.232E-01 RMM: 4 -0.362828371108E+03 0.30669E-03 -0.12972E-03 4766 0.759E-02 0.162E-01 RMM: 5 -0.362828222627E+03 0.14848E-03 -0.19165E-04 3911 0.338E-02 0.991E-02 RMM: 6 -0.362828178911E+03 0.43716E-04 -0.47718E-05 3151 0.201E-02 0.664E-02 RMM: 7 -0.362828215855E+03 -0.36943E-04 -0.86639E-05 3726 0.235E-02 0.108E-01 RMM: 8 -0.362828143595E+03 0.72260E-04 -0.65476E-05 3413 0.213E-02 0.300E-02 RMM: 9 -0.362828149363E+03 -0.57681E-05 -0.19732E-05 2528 0.130E-02 8361 T= 5927. E= 0.68420129E+03 F= 0.63516594E+03 E0= 0.66497957E+03 EK= 0.49035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362590832776E+03 0.23731E+00 -0.24349E-01 9072 0.226E+01 0.195E-01 RMM: 2 -0.362610094217E+03 -0.19261E-01 -0.15371E-01 5740 0.804E-01 0.870E-01 RMM: 3 -0.362603682009E+03 0.64122E-02 -0.88691E-03 5435 0.201E-01 0.166E-01 RMM: 4 -0.362603578017E+03 0.10399E-03 -0.83914E-04 4777 0.597E-02 0.144E-01 RMM: 5 -0.362603447140E+03 0.13088E-03 -0.12114E-04 3856 0.271E-02 0.750E-02 RMM: 6 -0.362603427735E+03 0.19405E-04 -0.30309E-05 2801 0.166E-02 8362 T= 6028. E= 0.68523974E+03 F= 0.63537605E+03 E0= 0.66513992E+03 EK= 0.49864E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362785586506E+03 -0.18214E+00 -0.18744E-01 8832 0.230E+01 0.346E-01 RMM: 2 -0.362822077812E+03 -0.36491E-01 -0.12049E-01 5337 0.779E-01 0.203E+00 RMM: 3 -0.362794526448E+03 0.27551E-01 -0.14916E-02 5345 0.291E-01 0.310E-01 RMM: 4 -0.362793878481E+03 0.64797E-03 -0.16213E-03 4746 0.788E-02 0.111E-01 RMM: 5 -0.362793838294E+03 0.40187E-04 -0.17946E-04 3909 0.346E-02 0.110E-01 RMM: 6 -0.362793778850E+03 0.59444E-04 -0.55835E-05 3258 0.211E-02 0.739E-02 RMM: 7 -0.362793836915E+03 -0.58065E-04 -0.94620E-05 3769 0.261E-02 0.122E-01 RMM: 8 -0.362793743649E+03 0.93266E-04 -0.91039E-05 3811 0.227E-02 0.480E-02 RMM: 9 -0.362793735393E+03 0.82567E-05 -0.22409E-05 2616 0.140E-02 8363 T= 6300. E= 0.68728354E+03 F= 0.63516793E+03 E0= 0.66488669E+03 EK= 0.52116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363386098857E+03 -0.59236E+00 -0.17299E-01 7932 0.237E+01 0.291E-01 RMM: 2 -0.363410948549E+03 -0.24850E-01 -0.97424E-02 5328 0.710E-01 0.159E+00 RMM: 3 -0.363393699823E+03 0.17249E-01 -0.11325E-02 5344 0.249E-01 0.289E-01 RMM: 4 -0.363393286611E+03 0.41321E-03 -0.15590E-03 4690 0.845E-02 0.165E-01 RMM: 5 -0.363393158775E+03 0.12784E-03 -0.24062E-04 3907 0.399E-02 0.124E-01 RMM: 6 -0.363393059607E+03 0.99168E-04 -0.66760E-05 3467 0.241E-02 0.418E-02 RMM: 7 -0.363393071779E+03 -0.12172E-04 -0.34963E-05 2821 0.173E-02 8364 T= 6664. E= 0.68967304E+03 F= 0.63454789E+03 E0= 0.66422677E+03 EK= 0.55125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364286843814E+03 -0.89378E+00 -0.18031E-01 8256 0.244E+01 0.259E-01 RMM: 2 -0.364309207796E+03 -0.22364E-01 -0.12202E-01 5221 0.828E-01 0.139E+00 RMM: 3 -0.364296614094E+03 0.12594E-01 -0.12122E-02 5444 0.242E-01 0.246E-01 RMM: 4 -0.364296216301E+03 0.39779E-03 -0.11380E-03 4699 0.707E-02 0.126E-01 RMM: 5 -0.364296105653E+03 0.11065E-03 -0.16416E-04 3911 0.347E-02 0.920E-02 RMM: 6 -0.364296073010E+03 0.32644E-04 -0.41479E-05 2941 0.189E-02 0.746E-02 RMM: 7 -0.364296065656E+03 0.73538E-05 -0.85618E-05 3760 0.244E-02 8365 T= 6978. E= 0.69134599E+03 F= 0.63362143E+03 E0= 0.66326470E+03 EK= 0.57725E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365330394869E+03 -0.10343E+01 -0.19523E-01 8796 0.247E+01 0.242E-01 RMM: 2 -0.365348637861E+03 -0.18243E-01 -0.12354E-01 5282 0.818E-01 0.109E+00 RMM: 3 -0.365340329547E+03 0.83083E-02 -0.10822E-02 5516 0.222E-01 0.219E-01 RMM: 4 -0.365340075524E+03 0.25402E-03 -0.98980E-04 4668 0.681E-02 0.160E-01 RMM: 5 -0.365339891097E+03 0.18443E-03 -0.16466E-04 3888 0.344E-02 0.847E-02 RMM: 6 -0.365339868523E+03 0.22574E-04 -0.45990E-05 3111 0.200E-02 0.705E-02 RMM: 7 -0.365339856417E+03 0.12105E-04 -0.47118E-05 2864 0.187E-02 8366 T= 7094. E= 0.69123368E+03 F= 0.63255123E+03 E0= 0.66216528E+03 EK= 0.58682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366363637022E+03 -0.10238E+01 -0.20354E-01 8928 0.247E+01 0.224E-01 RMM: 2 -0.366381955468E+03 -0.18318E-01 -0.13401E-01 5310 0.832E-01 0.103E+00 RMM: 3 -0.366374599214E+03 0.73563E-02 -0.11183E-02 5641 0.216E-01 0.203E-01 RMM: 4 -0.366374312990E+03 0.28622E-03 -0.85873E-04 4705 0.632E-02 0.143E-01 RMM: 5 -0.366374168958E+03 0.14403E-03 -0.13799E-04 3890 0.321E-02 0.869E-02 RMM: 6 -0.366374151272E+03 0.17686E-04 -0.37877E-05 2905 0.181E-02 8367 T= 6944. E= 0.68893434E+03 F= 0.63148705E+03 E0= 0.66107617E+03 EK= 0.57447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367304111064E+03 -0.92994E+00 -0.19701E-01 8604 0.241E+01 0.251E-01 RMM: 2 -0.367328606559E+03 -0.24495E-01 -0.13013E-01 5326 0.776E-01 0.142E+00 RMM: 3 -0.367314195676E+03 0.14411E-01 -0.11450E-02 5353 0.244E-01 0.230E-01 RMM: 4 -0.367313902896E+03 0.29278E-03 -0.11483E-03 4967 0.642E-02 0.119E-01 RMM: 5 -0.367313802424E+03 0.10047E-03 -0.10801E-04 3869 0.298E-02 0.906E-02 RMM: 6 -0.367313802624E+03 -0.19980E-06 -0.49827E-05 3154 0.195E-02 8368 T= 6593. E= 0.68505744E+03 F= 0.63051319E+03 E0= 0.66008493E+03 EK= 0.54544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368144179116E+03 -0.83038E+00 -0.18428E-01 8628 0.234E+01 0.525E-01 RMM: 2 -0.368214928795E+03 -0.70750E-01 -0.14049E-01 5173 0.875E-01 0.300E+00 RMM: 3 -0.368153789734E+03 0.61139E-01 -0.28128E-02 5291 0.422E-01 0.590E-01 RMM: 4 -0.368151318558E+03 0.24712E-02 -0.36189E-03 5320 0.130E-01 0.102E-01 RMM: 5 -0.368151329481E+03 -0.10924E-04 -0.36724E-04 4076 0.379E-02 0.137E-01 RMM: 6 -0.368151221495E+03 0.10799E-03 -0.65097E-05 3421 0.231E-02 0.587E-02 RMM: 7 -0.368151255284E+03 -0.33789E-04 -0.44419E-05 3078 0.181E-02 0.971E-02 RMM: 8 -0.368151202026E+03 0.53258E-04 -0.54564E-05 3154 0.198E-02 0.422E-02 RMM: 9 -0.368151197794E+03 0.42324E-05 -0.25798E-05 2630 0.145E-02 8369 T= 6187. E= 0.68082345E+03 F= 0.62963643E+03 E0= 0.65919614E+03 EK= 0.51187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368917326658E+03 -0.76612E+00 -0.18094E-01 8676 0.226E+01 0.385E-01 RMM: 2 -0.368960789710E+03 -0.43463E-01 -0.12996E-01 5119 0.758E-01 0.222E+00 RMM: 3 -0.368926782246E+03 0.34007E-01 -0.17995E-02 5359 0.326E-01 0.437E-01 RMM: 4 -0.368925539450E+03 0.12428E-02 -0.24379E-03 5141 0.105E-01 0.135E-01 RMM: 5 -0.368925581577E+03 -0.42127E-04 -0.31588E-04 3924 0.420E-02 0.168E-01 RMM: 6 -0.368925395416E+03 0.18616E-03 -0.94188E-05 3692 0.279E-02 0.475E-02 RMM: 7 -0.368925401965E+03 -0.65488E-05 -0.29778E-05 2732 0.157E-02 8370 T= 5870. E= 0.67737572E+03 F= 0.62881708E+03 E0= 0.65837050E+03 EK= 0.48559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369673835991E+03 -0.74844E+00 -0.18107E-01 8688 0.221E+01 0.243E-01 RMM: 2 -0.369694104900E+03 -0.20269E-01 -0.11533E-01 5369 0.706E-01 0.126E+00 RMM: 3 -0.369682598017E+03 0.11507E-01 -0.97431E-03 5390 0.221E-01 0.246E-01 RMM: 4 -0.369682223807E+03 0.37421E-03 -0.10185E-03 4734 0.656E-02 0.102E-01 RMM: 5 -0.369682189973E+03 0.33833E-04 -0.13659E-04 3905 0.286E-02 0.107E-01 RMM: 6 -0.369682124619E+03 0.65354E-04 -0.50024E-05 3213 0.204E-02 0.525E-02 RMM: 7 -0.369682174365E+03 -0.49745E-04 -0.62250E-05 3462 0.203E-02 0.108E-01 RMM: 8 -0.369682101863E+03 0.72501E-04 -0.62477E-05 3534 0.212E-02 0.357E-02 RMM: 9 -0.369682096065E+03 0.57977E-05 -0.13711E-05 2479 0.108E-02 8371 T= 5730. E= 0.67540942E+03 F= 0.62800931E+03 E0= 0.65756339E+03 EK= 0.47400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370440656018E+03 -0.75855E+00 -0.18335E-01 8868 0.221E+01 0.181E-01 RMM: 2 -0.370454819156E+03 -0.14163E-01 -0.11209E-01 5436 0.659E-01 0.781E-01 RMM: 3 -0.370449199266E+03 0.56199E-02 -0.71188E-03 5459 0.182E-01 0.154E-01 RMM: 4 -0.370449122758E+03 0.76508E-04 -0.72554E-04 4690 0.567E-02 0.140E-01 RMM: 5 -0.370449013651E+03 0.10911E-03 -0.12167E-04 3851 0.288E-02 0.821E-02 RMM: 6 -0.370448971768E+03 0.41882E-04 -0.36181E-05 2980 0.182E-02 0.382E-02 RMM: 7 -0.370448987356E+03 -0.15587E-04 -0.28677E-05 2643 0.150E-02 8372 T= 5799. E= 0.67516060E+03 F= 0.62718584E+03 E0= 0.65674716E+03 EK= 0.47975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371211216470E+03 -0.76224E+00 -0.19490E-01 8976 0.224E+01 0.169E-01 RMM: 2 -0.371225332608E+03 -0.14116E-01 -0.11474E-01 5415 0.685E-01 0.755E-01 RMM: 3 -0.371220309096E+03 0.50235E-02 -0.75737E-03 5649 0.178E-01 0.139E-01 RMM: 4 -0.371220197608E+03 0.11149E-03 -0.59724E-04 4611 0.510E-02 0.110E-01 RMM: 5 -0.371220116446E+03 0.81161E-04 -0.90906E-05 3697 0.244E-02 0.686E-02 RMM: 6 -0.371220108646E+03 0.78000E-05 -0.35131E-05 2913 0.173E-02 8373 T= 6059. E= 0.67647762E+03 F= 0.62635351E+03 E0= 0.65592939E+03 EK= 0.50124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371940990197E+03 -0.72087E+00 -0.20550E-01 8916 0.230E+01 0.275E-01 RMM: 2 -0.371966211615E+03 -0.25221E-01 -0.13581E-01 5204 0.761E-01 0.143E+00 RMM: 3 -0.371951482383E+03 0.14729E-01 -0.13015E-02 5389 0.257E-01 0.242E-01 RMM: 4 -0.371951114456E+03 0.36793E-03 -0.13222E-03 4892 0.692E-02 0.989E-02 RMM: 5 -0.371951060886E+03 0.53571E-04 -0.14632E-04 3889 0.322E-02 0.909E-02 RMM: 6 -0.371951019113E+03 0.41773E-04 -0.48016E-05 3121 0.202E-02 0.567E-02 RMM: 7 -0.371951055180E+03 -0.36067E-04 -0.58699E-05 3428 0.206E-02 0.991E-02 RMM: 8 -0.371950990626E+03 0.64554E-04 -0.43154E-05 3060 0.188E-02 0.326E-02 RMM: 9 -0.371950989668E+03 0.95817E-06 -0.17313E-05 2487 0.115E-02 8374 T= 6436. E= 0.67880082E+03 F= 0.62555774E+03 E0= 0.65515631E+03 EK= 0.53243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372553936815E+03 -0.60295E+00 -0.22860E-01 8892 0.237E+01 0.291E-01 RMM: 2 -0.372581751592E+03 -0.27815E-01 -0.15006E-01 5188 0.812E-01 0.150E+00 RMM: 3 -0.372565758120E+03 0.15993E-01 -0.14336E-02 5457 0.265E-01 0.290E-01 RMM: 4 -0.372565190121E+03 0.56800E-03 -0.15594E-03 4746 0.819E-02 0.123E-01 RMM: 5 -0.372565153480E+03 0.36641E-04 -0.23397E-04 3894 0.403E-02 0.117E-01 RMM: 6 -0.372565062285E+03 0.91195E-04 -0.68611E-05 3488 0.235E-02 0.401E-02 RMM: 7 -0.372565082469E+03 -0.20184E-04 -0.35877E-05 2888 0.172E-02 0.771E-02 RMM: 8 -0.372565045134E+03 0.37335E-04 -0.28768E-05 2616 0.172E-02 0.204E-02 RMM: 9 -0.372565045166E+03 -0.31570E-07 -0.93171E-06 2446 0.857E-03 8375 T= 6802. E= 0.68114715E+03 F= 0.62487569E+03 E0= 0.65450348E+03 EK= 0.56271E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372961877651E+03 -0.39683E+00 -0.24430E-01 8748 0.242E+01 0.179E-01 RMM: 2 -0.372981395131E+03 -0.19517E-01 -0.16576E-01 5272 0.833E-01 0.796E-01 RMM: 3 -0.372975524575E+03 0.58706E-02 -0.12107E-02 5839 0.215E-01 0.158E-01 RMM: 4 -0.372975291693E+03 0.23288E-03 -0.75985E-04 4742 0.587E-02 0.120E-01 RMM: 5 -0.372975185981E+03 0.10571E-03 -0.12983E-04 3887 0.308E-02 0.691E-02 RMM: 6 -0.372975187820E+03 -0.18387E-05 -0.54058E-05 3293 0.203E-02 8376 T= 7007. E= 0.68235871E+03 F= 0.62439434E+03 E0= 0.65405618E+03 EK= 0.57964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.373104124883E+03 -0.12894E+00 -0.24190E-01 8976 0.243E+01 0.279E-01 RMM: 2 -0.373133163598E+03 -0.29039E-01 -0.16580E-01 5262 0.829E-01 0.147E+00 RMM: 3 -0.373116988439E+03 0.16175E-01 -0.14342E-02 5421 0.264E-01 0.250E-01 RMM: 4 -0.373116587681E+03 0.40076E-03 -0.14511E-03 4925 0.734E-02 0.111E-01 RMM: 5 -0.373116527811E+03 0.59869E-04 -0.18740E-04 3895 0.354E-02 0.108E-01 RMM: 6 -0.373116476281E+03 0.51530E-04 -0.85174E-05 3682 0.252E-02 0.712E-02 RMM: 7 -0.373116539721E+03 -0.63441E-04 -0.90406E-05 3807 0.251E-02 0.125E-01 RMM: 8 -0.373116438140E+03 0.10158E-03 -0.51179E-05 3283 0.206E-02 0.361E-02 RMM: 9 -0.373116435842E+03 0.22981E-05 -0.15486E-05 2509 0.112E-02 8377 T= 6954. E= 0.68170509E+03 F= 0.62417784E+03 E0= 0.65387746E+03 EK= 0.57527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372962544826E+03 0.15389E+00 -0.24014E-01 8916 0.240E+01 0.283E-01 RMM: 2 -0.372990480462E+03 -0.27936E-01 -0.15920E-01 5212 0.826E-01 0.144E+00 RMM: 3 -0.372974924902E+03 0.15556E-01 -0.13375E-02 5460 0.253E-01 0.256E-01 RMM: 4 -0.372974523810E+03 0.40109E-03 -0.15379E-03 4717 0.837E-02 0.153E-01 RMM: 5 -0.372974453014E+03 0.70797E-04 -0.25214E-04 3900 0.417E-02 0.125E-01 RMM: 6 -0.372974349739E+03 0.10327E-03 -0.71546E-05 3499 0.240E-02 0.368E-02 RMM: 7 -0.372974370952E+03 -0.21212E-04 -0.37938E-05 2911 0.178E-02 0.735E-02 RMM: 8 -0.372974338944E+03 0.32008E-04 -0.26486E-05 2559 0.168E-02 0.190E-02 RMM: 9 -0.372974339622E+03 -0.67851E-06 -0.77114E-06 2446 0.775E-03 8378 T= 6667. E= 0.67939411E+03 F= 0.62423943E+03 E0= 0.65397619E+03 EK= 0.55155E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372575606301E+03 0.39873E+00 -0.24028E-01 8544 0.234E+01 0.212E-01 RMM: 2 -0.372595540673E+03 -0.19934E-01 -0.16058E-01 5246 0.836E-01 0.896E-01 RMM: 3 -0.372588730396E+03 0.68103E-02 -0.11757E-02 5716 0.218E-01 0.167E-01 RMM: 4 -0.372588609303E+03 0.12109E-03 -0.91155E-04 4726 0.677E-02 0.174E-01 RMM: 5 -0.372588429948E+03 0.17935E-03 -0.17683E-04 3880 0.338E-02 0.882E-02 RMM: 6 -0.372588392975E+03 0.36973E-04 -0.54403E-05 3279 0.209E-02 0.549E-02 RMM: 7 -0.372588421442E+03 -0.28467E-04 -0.61360E-05 3485 0.212E-02 0.914E-02 RMM: 8 -0.372588367434E+03 0.54009E-04 -0.32897E-05 2926 0.176E-02 0.205E-02 RMM: 9 -0.372588368294E+03 -0.86067E-06 -0.94748E-06 2452 0.859E-03 8379 T= 6272. E= 0.67642778E+03 F= 0.62453846E+03 E0= 0.65431039E+03 EK= 0.51889E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.372018564576E+03 0.56980E+00 -0.21231E-01 8796 0.227E+01 0.204E-01 RMM: 2 -0.372034051941E+03 -0.15487E-01 -0.13249E-01 5379 0.739E-01 0.745E-01 RMM: 3 -0.372028857776E+03 0.51942E-02 -0.85343E-03 5890 0.184E-01 0.145E-01 RMM: 4 -0.372028854732E+03 0.30442E-05 -0.76849E-04 4686 0.633E-02 0.198E-01 RMM: 5 -0.372028614201E+03 0.24053E-03 -0.18091E-04 3886 0.352E-02 0.776E-02 RMM: 6 -0.372028581647E+03 0.32554E-04 -0.40463E-05 3069 0.188E-02 0.457E-02 RMM: 7 -0.372028600250E+03 -0.18603E-04 -0.44533E-05 3061 0.189E-02 8380 T= 5919. E= 0.67397172E+03 F= 0.62500427E+03 E0= 0.65480818E+03 EK= 0.48967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.371359719158E+03 0.66886E+00 -0.19692E-01 8700 0.222E+01 0.192E-01 RMM: 2 -0.371372881947E+03 -0.13163E-01 -0.12073E-01 5317 0.710E-01 0.604E-01 RMM: 3 -0.371369120237E+03 0.37617E-02 -0.83961E-03 5873 0.181E-01 0.147E-01 RMM: 4 -0.371369138123E+03 -0.17886E-04 -0.68168E-04 4675 0.594E-02 0.201E-01 RMM: 5 -0.371368863852E+03 0.27427E-03 -0.16511E-04 3884 0.330E-02 0.599E-02 RMM: 6 -0.371368870167E+03 -0.63154E-05 -0.46592E-05 3159 0.193E-02 8381 T= 5718. E= 0.67286552E+03 F= 0.62556344E+03 E0= 0.65539636E+03 EK= 0.47302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.370658606789E+03 0.71026E+00 -0.18681E-01 8664 0.221E+01 0.262E-01 RMM: 2 -0.370679476839E+03 -0.20870E-01 -0.10806E-01 5292 0.675E-01 0.132E+00 RMM: 3 -0.370666777220E+03 0.12700E-01 -0.98585E-03 5398 0.220E-01 0.250E-01 RMM: 4 -0.370666436433E+03 0.34079E-03 -0.11653E-03 4690 0.720E-02 0.135E-01 RMM: 5 -0.370666388869E+03 0.47564E-04 -0.19147E-04 3881 0.348E-02 0.126E-01 RMM: 6 -0.370666290716E+03 0.98153E-04 -0.68859E-05 3450 0.240E-02 0.473E-02 RMM: 7 -0.370666322327E+03 -0.31611E-04 -0.50202E-05 3201 0.198E-02 0.866E-02 RMM: 8 -0.370666278153E+03 0.44174E-04 -0.31058E-05 2780 0.176E-02 0.377E-02 RMM: 9 -0.370666270280E+03 0.78728E-05 -0.10305E-05 2460 0.932E-03 8382 T= 5723. E= 0.67350874E+03 F= 0.62616031E+03 E0= 0.65601906E+03 EK= 0.47348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369943950273E+03 0.72233E+00 -0.18316E-01 8592 0.223E+01 0.290E-01 RMM: 2 -0.369967774017E+03 -0.23824E-01 -0.10164E-01 5191 0.687E-01 0.154E+00 RMM: 3 -0.369951433799E+03 0.16340E-01 -0.10930E-02 5391 0.238E-01 0.284E-01 RMM: 4 -0.369950895011E+03 0.53879E-03 -0.13221E-03 4670 0.771E-02 0.117E-01 RMM: 5 -0.369950889437E+03 0.55734E-05 -0.20852E-04 3887 0.367E-02 0.133E-01 RMM: 6 -0.369950776269E+03 0.11317E-03 -0.71070E-05 3498 0.245E-02 0.394E-02 RMM: 7 -0.369950806861E+03 -0.30593E-04 -0.43912E-05 3076 0.188E-02 0.838E-02 RMM: 8 -0.369950763553E+03 0.43309E-04 -0.28631E-05 2630 0.173E-02 0.293E-02 RMM: 9 -0.369950758935E+03 0.46176E-05 -0.83262E-06 2444 0.834E-03 8383 T= 5941. E= 0.67591204E+03 F= 0.62676704E+03 E0= 0.65664838E+03 EK= 0.49145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.369217688387E+03 0.73308E+00 -0.19194E-01 8784 0.229E+01 0.194E-01 RMM: 2 -0.369231620235E+03 -0.13932E-01 -0.97631E-02 5311 0.654E-01 0.903E-01 RMM: 3 -0.369225349366E+03 0.62709E-02 -0.75504E-03 5473 0.185E-01 0.184E-01 RMM: 4 -0.369225163630E+03 0.18574E-03 -0.72140E-04 4704 0.564E-02 0.116E-01 RMM: 5 -0.369225085924E+03 0.77706E-04 -0.14289E-04 3876 0.326E-02 0.876E-02 RMM: 6 -0.369225054342E+03 0.31583E-04 -0.55608E-05 3321 0.209E-02 0.642E-02 RMM: 7 -0.369225053914E+03 0.42804E-06 -0.47528E-05 3142 0.202E-02 8384 T= 6321. E= 0.67967859E+03 F= 0.62738298E+03 E0= 0.65728287E+03 EK= 0.52296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.368462930471E+03 0.76212E+00 -0.20090E-01 8688 0.237E+01 0.162E-01 RMM: 2 -0.368474766888E+03 -0.11836E-01 -0.10614E-01 5335 0.696E-01 0.608E-01 RMM: 3 -0.368471467828E+03 0.32991E-02 -0.76955E-03 5900 0.169E-01 0.143E-01 RMM: 4 -0.368471308413E+03 0.15941E-03 -0.48383E-04 4357 0.496E-02 0.124E-01 RMM: 5 -0.368471199380E+03 0.10903E-03 -0.13581E-04 3879 0.336E-02 0.711E-02 RMM: 6 -0.368471238339E+03 -0.38959E-04 -0.80339E-05 3618 0.235E-02 0.111E-01 RMM: 7 -0.368471180503E+03 0.57836E-04 -0.56486E-05 3374 0.219E-02 0.728E-02 RMM: 8 -0.368471147866E+03 0.32636E-04 -0.22655E-05 2580 0.144E-02 0.258E-02 RMM: 9 -0.368471151824E+03 -0.39580E-05 -0.14251E-05 2471 0.104E-02 8385 T= 6755. E= 0.68390650E+03 F= 0.62802741E+03 E0= 0.65794115E+03 EK= 0.55879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.367650561607E+03 0.82059E+00 -0.21076E-01 8760 0.244E+01 0.168E-01 RMM: 2 -0.367663363410E+03 -0.12802E-01 -0.11365E-01 5231 0.731E-01 0.642E-01 RMM: 3 -0.367659801739E+03 0.35617E-02 -0.89106E-03 5930 0.182E-01 0.141E-01 RMM: 4 -0.367659632364E+03 0.16937E-03 -0.54014E-04 4543 0.529E-02 0.133E-01 RMM: 5 -0.367659517630E+03 0.11473E-03 -0.13466E-04 3871 0.332E-02 0.711E-02 RMM: 6 -0.367659510143E+03 0.74869E-05 -0.59505E-05 3349 0.216E-02 8386 T= 7077. E= 0.68727330E+03 F= 0.62872993E+03 E0= 0.65864969E+03 EK= 0.58543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.366756883933E+03 0.90263E+00 -0.21440E-01 8880 0.248E+01 0.251E-01 RMM: 2 -0.366777710107E+03 -0.20826E-01 -0.11122E-01 5339 0.720E-01 0.131E+00 RMM: 3 -0.366765297094E+03 0.12413E-01 -0.96758E-03 5399 0.218E-01 0.236E-01 RMM: 4 -0.366764958542E+03 0.33855E-03 -0.10025E-03 4734 0.653E-02 0.113E-01 RMM: 5 -0.366764903278E+03 0.55264E-04 -0.21936E-04 3896 0.404E-02 0.114E-01 RMM: 6 -0.366764857122E+03 0.46156E-04 -0.10246E-04 3838 0.272E-02 0.849E-02 RMM: 7 -0.366764907691E+03 -0.50569E-04 -0.95637E-05 3828 0.263E-02 0.124E-01 RMM: 8 -0.366764809485E+03 0.98206E-04 -0.53336E-05 3320 0.221E-02 0.382E-02 RMM: 9 -0.366764804996E+03 0.44891E-05 -0.13349E-05 2489 0.105E-02 8387 T= 7141. E= 0.68858592E+03 F= 0.62951466E+03 E0= 0.65943445E+03 EK= 0.59071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.365779622665E+03 0.98519E+00 -0.20510E-01 8796 0.247E+01 0.215E-01 RMM: 2 -0.365798078526E+03 -0.18456E-01 -0.10660E-01 5220 0.701E-01 0.117E+00 RMM: 3 -0.365787826823E+03 0.10252E-01 -0.87607E-03 5380 0.212E-01 0.206E-01 RMM: 4 -0.365787601462E+03 0.22536E-03 -0.97879E-04 4699 0.670E-02 0.126E-01 RMM: 5 -0.365787541558E+03 0.59904E-04 -0.18019E-04 3880 0.366E-02 0.109E-01 RMM: 6 -0.365787472529E+03 0.69029E-04 -0.59722E-05 3347 0.226E-02 0.469E-02 RMM: 7 -0.365787496976E+03 -0.24447E-04 -0.40036E-05 2997 0.185E-02 0.832E-02 RMM: 8 -0.365787452905E+03 0.44071E-04 -0.26060E-05 2644 0.167E-02 0.228E-02 RMM: 9 -0.365787451173E+03 0.17312E-05 -0.75796E-06 2438 0.770E-03 8388 T= 6912. E= 0.68755932E+03 F= 0.63037928E+03 E0= 0.66029174E+03 EK= 0.57180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364754979273E+03 0.10325E+01 -0.19172E-01 8748 0.242E+01 0.235E-01 RMM: 2 -0.364770121554E+03 -0.15142E-01 -0.10100E-01 5418 0.688E-01 0.101E+00 RMM: 3 -0.364762346737E+03 0.77748E-02 -0.74291E-03 5547 0.186E-01 0.188E-01 RMM: 4 -0.364762265910E+03 0.80827E-04 -0.87116E-04 4669 0.660E-02 0.177E-01 RMM: 5 -0.364762105314E+03 0.16060E-03 -0.17149E-04 3881 0.331E-02 0.110E-01 RMM: 6 -0.364762035422E+03 0.69891E-04 -0.53805E-05 3293 0.216E-02 0.497E-02 RMM: 7 -0.364762071943E+03 -0.36521E-04 -0.59518E-05 3432 0.207E-02 0.949E-02 RMM: 8 -0.364762015121E+03 0.56822E-04 -0.34221E-05 2944 0.183E-02 0.306E-02 RMM: 9 -0.364762010535E+03 0.45857E-05 -0.10040E-05 2457 0.895E-03 8389 T= 6497. E= 0.68503373E+03 F= 0.63128729E+03 E0= 0.66118745E+03 EK= 0.53746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363733535388E+03 0.10285E+01 -0.17831E-01 8448 0.236E+01 0.225E-01 RMM: 2 -0.363746274787E+03 -0.12739E-01 -0.97335E-02 5353 0.683E-01 0.849E-01 RMM: 3 -0.363740760452E+03 0.55143E-02 -0.72206E-03 5727 0.176E-01 0.162E-01 RMM: 4 -0.363740817095E+03 -0.56642E-04 -0.82007E-04 4650 0.668E-02 0.217E-01 RMM: 5 -0.363740531891E+03 0.28520E-03 -0.19801E-04 3885 0.361E-02 0.952E-02 RMM: 6 -0.363740480758E+03 0.51133E-04 -0.47679E-05 3193 0.204E-02 0.454E-02 RMM: 7 -0.363740507588E+03 -0.26829E-04 -0.42249E-05 3026 0.182E-02 0.856E-02 RMM: 8 -0.363740460773E+03 0.46815E-04 -0.30234E-05 2716 0.170E-02 0.240E-02 RMM: 9 -0.363740459928E+03 0.84509E-06 -0.93017E-06 2445 0.846E-03 8390 T= 6066. E= 0.68236890E+03 F= 0.63218553E+03 E0= 0.66207160E+03 EK= 0.50183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362768485245E+03 0.97198E+00 -0.16656E-01 8076 0.230E+01 0.230E-01 RMM: 2 -0.362780075145E+03 -0.11590E-01 -0.88523E-02 5340 0.661E-01 0.825E-01 RMM: 3 -0.362775029354E+03 0.50458E-02 -0.70748E-03 5705 0.172E-01 0.170E-01 RMM: 4 -0.362775094797E+03 -0.65444E-04 -0.84558E-04 4637 0.684E-02 0.229E-01 RMM: 5 -0.362774795507E+03 0.29929E-03 -0.21284E-04 3888 0.374E-02 0.108E-01 RMM: 6 -0.362774724253E+03 0.71254E-04 -0.49721E-05 3218 0.210E-02 0.412E-02 RMM: 7 -0.362774750886E+03 -0.26633E-04 -0.44020E-05 3081 0.186E-02 0.826E-02 RMM: 8 -0.362774707184E+03 0.43701E-04 -0.28992E-05 2657 0.167E-02 0.258E-02 RMM: 9 -0.362774705507E+03 0.16775E-05 -0.97494E-06 2450 0.874E-03 8391 T= 5764. E= 0.68070799E+03 F= 0.63302220E+03 E0= 0.66289541E+03 EK= 0.47686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361896984931E+03 0.87772E+00 -0.15564E-01 7920 0.226E+01 0.231E-01 RMM: 2 -0.361908927457E+03 -0.11943E-01 -0.76334E-02 5336 0.627E-01 0.956E-01 RMM: 3 -0.361902554601E+03 0.63729E-02 -0.64499E-03 5552 0.168E-01 0.167E-01 RMM: 4 -0.361902619012E+03 -0.64411E-04 -0.83686E-04 4628 0.681E-02 0.215E-01 RMM: 5 -0.361902344109E+03 0.27490E-03 -0.18718E-04 3876 0.340E-02 0.105E-01 RMM: 6 -0.361902281135E+03 0.62975E-04 -0.57186E-05 3351 0.219E-02 0.472E-02 RMM: 7 -0.361902309604E+03 -0.28469E-04 -0.41252E-05 3037 0.179E-02 0.876E-02 RMM: 8 -0.361902259604E+03 0.50000E-04 -0.31456E-05 2765 0.177E-02 0.244E-02 RMM: 9 -0.361902258340E+03 0.12645E-05 -0.89728E-06 2448 0.835E-03 8392 T= 5673. E= 0.68069209E+03 F= 0.63376130E+03 E0= 0.66362550E+03 EK= 0.46931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361133836438E+03 0.76842E+00 -0.15337E-01 7740 0.228E+01 0.213E-01 RMM: 2 -0.361143506710E+03 -0.96703E-02 -0.68723E-02 5330 0.602E-01 0.819E-01 RMM: 3 -0.361138895113E+03 0.46116E-02 -0.59552E-03 5634 0.158E-01 0.162E-01 RMM: 4 -0.361138860202E+03 0.34911E-04 -0.66297E-04 4619 0.605E-02 0.181E-01 RMM: 5 -0.361138683927E+03 0.17628E-03 -0.16781E-04 3880 0.335E-02 0.105E-01 RMM: 6 -0.361138621116E+03 0.62811E-04 -0.55511E-05 3317 0.218E-02 0.482E-02 RMM: 7 -0.361138652192E+03 -0.31076E-04 -0.44042E-05 3093 0.187E-02 0.893E-02 RMM: 8 -0.361138599254E+03 0.52938E-04 -0.26742E-05 2685 0.168E-02 0.211E-02 RMM: 9 -0.361138598464E+03 0.79044E-06 -0.74868E-06 2444 0.735E-03 8393 T= 5816. E= 0.68250626E+03 F= 0.63438980E+03 E0= 0.66425031E+03 EK= 0.48116E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360472114247E+03 0.66649E+00 -0.15863E-01 7824 0.232E+01 0.207E-01 RMM: 2 -0.360483055120E+03 -0.10941E-01 -0.70783E-02 5274 0.622E-01 0.912E-01 RMM: 3 -0.360477477894E+03 0.55772E-02 -0.63002E-03 5550 0.164E-01 0.165E-01 RMM: 4 -0.360477373931E+03 0.10396E-03 -0.63769E-04 4610 0.590E-02 0.148E-01 RMM: 5 -0.360477251575E+03 0.12236E-03 -0.15740E-04 3874 0.330E-02 0.986E-02 RMM: 6 -0.360477207497E+03 0.44078E-04 -0.67580E-05 3480 0.234E-02 0.621E-02 RMM: 7 -0.360477233519E+03 -0.26022E-04 -0.47571E-05 3155 0.196E-02 0.951E-02 RMM: 8 -0.360477174297E+03 0.59222E-04 -0.30583E-05 2862 0.178E-02 0.229E-02 RMM: 9 -0.360477173350E+03 0.94774E-06 -0.82761E-06 2446 0.780E-03 8394 T= 6165. E= 0.68591945E+03 F= 0.63491682E+03 E0= 0.66477969E+03 EK= 0.51003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359886702289E+03 0.59047E+00 -0.16809E-01 7896 0.240E+01 0.196E-01 RMM: 2 -0.359896996395E+03 -0.10294E-01 -0.74983E-02 5285 0.649E-01 0.819E-01 RMM: 3 -0.359892554540E+03 0.44419E-02 -0.65694E-03 5626 0.163E-01 0.162E-01 RMM: 4 -0.359892395396E+03 0.15914E-03 -0.54944E-04 4589 0.547E-02 0.133E-01 RMM: 5 -0.359892284461E+03 0.11094E-03 -0.15489E-04 3876 0.345E-02 0.853E-02 RMM: 6 -0.359892270719E+03 0.13742E-04 -0.70755E-05 3513 0.234E-02 8395 T= 6627. E= 0.69018999E+03 F= 0.63536977E+03 E0= 0.66523995E+03 EK= 0.54820E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359344229620E+03 0.54805E+00 -0.18267E-01 7824 0.247E+01 0.325E-01 RMM: 2 -0.359373806903E+03 -0.29577E-01 -0.95174E-02 5236 0.735E-01 0.184E+00 RMM: 3 -0.359351225032E+03 0.22582E-01 -0.13229E-02 5339 0.275E-01 0.291E-01 RMM: 4 -0.359350708530E+03 0.51650E-03 -0.13618E-03 4685 0.721E-02 0.124E-01 RMM: 5 -0.359350635754E+03 0.72776E-04 -0.23351E-04 3927 0.431E-02 0.122E-01 RMM: 6 -0.359350560615E+03 0.75138E-04 -0.11588E-04 3860 0.295E-02 0.843E-02 RMM: 7 -0.359350621899E+03 -0.61284E-04 -0.13302E-04 3892 0.315E-02 0.133E-01 RMM: 8 -0.359350504592E+03 0.11731E-03 -0.70064E-05 3499 0.244E-02 0.432E-02 RMM: 9 -0.359350497575E+03 0.70168E-05 -0.18421E-05 2533 0.125E-02 8396 T= 7040. E= 0.69402026E+03 F= 0.63578222E+03 E0= 0.66566396E+03 EK= 0.58238E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358822507176E+03 0.52800E+00 -0.19225E-01 7656 0.252E+01 0.306E-01 RMM: 2 -0.358848656849E+03 -0.26150E-01 -0.99319E-02 5196 0.763E-01 0.167E+00 RMM: 3 -0.358830201835E+03 0.18455E-01 -0.12506E-02 5354 0.263E-01 0.351E-01 RMM: 4 -0.358829399107E+03 0.80273E-03 -0.15930E-03 4733 0.868E-02 0.129E-01 RMM: 5 -0.358829375243E+03 0.23865E-04 -0.28914E-04 4081 0.458E-02 0.141E-01 RMM: 6 -0.358829243236E+03 0.13201E-03 -0.10021E-04 3819 0.279E-02 0.501E-02 RMM: 7 -0.358829276937E+03 -0.33701E-04 -0.57377E-05 3317 0.203E-02 0.959E-02 RMM: 8 -0.358829218168E+03 0.58769E-04 -0.36905E-05 2929 0.198E-02 0.271E-02 RMM: 9 -0.358829214507E+03 0.36607E-05 -0.84928E-06 2452 0.841E-03 8397 T= 7226. E= 0.69595027E+03 F= 0.63617548E+03 E0= 0.66606902E+03 EK= 0.59775E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358327637110E+03 0.50158E+00 -0.19297E-01 7764 0.252E+01 0.224E-01 RMM: 2 -0.358343264017E+03 -0.15627E-01 -0.90746E-02 5178 0.715E-01 0.111E+00 RMM: 3 -0.358334818275E+03 0.84457E-02 -0.86615E-03 5506 0.197E-01 0.190E-01 RMM: 4 -0.358334617457E+03 0.20082E-03 -0.77371E-04 4634 0.625E-02 0.139E-01 RMM: 5 -0.358334515306E+03 0.10215E-03 -0.19835E-04 3903 0.389E-02 0.108E-01 RMM: 6 -0.358334470552E+03 0.44755E-04 -0.99081E-05 3755 0.272E-02 0.837E-02 RMM: 7 -0.358334502514E+03 -0.31962E-04 -0.92309E-05 3829 0.257E-02 0.114E-01 RMM: 8 -0.358334417550E+03 0.84964E-04 -0.47413E-05 3228 0.207E-02 0.373E-02 RMM: 9 -0.358334411427E+03 0.61229E-05 -0.12112E-05 2480 0.986E-03 8398 T= 7094. E= 0.69522429E+03 F= 0.63654111E+03 E0= 0.66644446E+03 EK= 0.58683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357902109189E+03 0.43231E+00 -0.18707E-01 7644 0.246E+01 0.216E-01 RMM: 2 -0.357913959223E+03 -0.11850E-01 -0.85376E-02 4996 0.694E-01 0.867E-01 RMM: 3 -0.357908809393E+03 0.51498E-02 -0.87955E-03 5605 0.196E-01 0.154E-01 RMM: 4 -0.357908781793E+03 0.27599E-04 -0.70620E-04 4634 0.617E-02 0.184E-01 RMM: 5 -0.357908588627E+03 0.19317E-03 -0.18818E-04 3892 0.375E-02 0.973E-02 RMM: 6 -0.357908541959E+03 0.46668E-04 -0.80785E-05 3550 0.254E-02 0.583E-02 RMM: 7 -0.357908553841E+03 -0.11882E-04 -0.43463E-05 3067 0.195E-02 8399 T= 6711. E= 0.69235467E+03 F= 0.63683392E+03 E0= 0.66674287E+03 EK= 0.55521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357604849270E+03 0.30369E+00 -0.17963E-01 7668 0.238E+01 0.241E-01 RMM: 2 -0.357618045966E+03 -0.13197E-01 -0.94723E-02 4886 0.733E-01 0.911E-01 RMM: 3 -0.357612404716E+03 0.56412E-02 -0.10180E-02 5581 0.211E-01 0.214E-01 RMM: 4 -0.357612256739E+03 0.14798E-03 -0.94630E-04 4676 0.727E-02 0.194E-01 RMM: 5 -0.357612073253E+03 0.18349E-03 -0.22579E-04 3906 0.392E-02 0.125E-01 RMM: 6 -0.357611982426E+03 0.90828E-04 -0.85370E-05 3624 0.263E-02 0.574E-02 RMM: 7 -0.357612030996E+03 -0.48570E-04 -0.65682E-05 3445 0.221E-02 0.108E-01 RMM: 8 -0.357611958700E+03 0.72296E-04 -0.37986E-05 3013 0.193E-02 0.381E-02 RMM: 9 -0.357611950339E+03 0.83608E-05 -0.12591E-05 2468 0.104E-02 8400 T= 6252. E= 0.68871424E+03 F= 0.63699153E+03 E0= 0.66690131E+03 EK= 0.51723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357493569954E+03 0.11839E+00 -0.16704E-01 7704 0.231E+01 0.211E-01 RMM: 2 -0.357503651456E+03 -0.10082E-01 -0.86813E-02 4922 0.695E-01 0.675E-01 RMM: 3 -0.357500446664E+03 0.32048E-02 -0.87086E-03 5675 0.188E-01 0.144E-01 RMM: 4 -0.357500654733E+03 -0.20807E-03 -0.72529E-04 4627 0.659E-02 0.255E-01 RMM: 5 -0.357500230322E+03 0.42441E-03 -0.20806E-04 3887 0.376E-02 0.783E-02 RMM: 6 -0.357500198324E+03 0.31998E-04 -0.54660E-05 3277 0.214E-02 0.442E-02 RMM: 7 -0.357500211595E+03 -0.13271E-04 -0.31663E-05 2677 0.166E-02 8401 T= 5886. E= 0.68565382E+03 F= 0.63695759E+03 E0= 0.66686500E+03 EK= 0.48696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357596035732E+03 -0.95837E-01 -0.16052E-01 7920 0.227E+01 0.244E-01 RMM: 2 -0.357608327196E+03 -0.12291E-01 -0.88878E-02 4976 0.714E-01 0.900E-01 RMM: 3 -0.357603000090E+03 0.53271E-02 -0.92986E-03 5564 0.199E-01 0.206E-01 RMM: 4 -0.357602906458E+03 0.93632E-04 -0.94241E-04 4668 0.729E-02 0.204E-01 RMM: 5 -0.357602653912E+03 0.25255E-03 -0.20242E-04 3880 0.347E-02 0.102E-01 RMM: 6 -0.357602602703E+03 0.51209E-04 -0.65984E-05 3425 0.230E-02 0.593E-02 RMM: 7 -0.357602633079E+03 -0.30376E-04 -0.56674E-05 3327 0.209E-02 0.964E-02 RMM: 8 -0.357602572119E+03 0.60959E-04 -0.32734E-05 2928 0.184E-02 0.239E-02 RMM: 9 -0.357602571442E+03 0.67732E-06 -0.89299E-06 2453 0.827E-03 8402 T= 5718. E= 0.68400752E+03 F= 0.63670374E+03 E0= 0.66660624E+03 EK= 0.47304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357908140538E+03 -0.30557E+00 -0.16435E-01 7896 0.227E+01 0.226E-01 RMM: 2 -0.357919942009E+03 -0.11801E-01 -0.90324E-02 4981 0.715E-01 0.832E-01 RMM: 3 -0.357915145268E+03 0.47967E-02 -0.92917E-03 5590 0.197E-01 0.135E-01 RMM: 4 -0.357915235385E+03 -0.90117E-04 -0.80611E-04 4648 0.664E-02 0.216E-01 RMM: 5 -0.357914967570E+03 0.26782E-03 -0.19731E-04 3879 0.353E-02 0.112E-01 RMM: 6 -0.357914894194E+03 0.73376E-04 -0.85435E-05 3613 0.261E-02 0.465E-02 RMM: 7 -0.357914919318E+03 -0.25125E-04 -0.37961E-05 2990 0.181E-02 0.838E-02 RMM: 8 -0.357914874252E+03 0.45066E-04 -0.22518E-05 2562 0.157E-02 0.230E-02 RMM: 9 -0.357914871681E+03 0.25718E-05 -0.64673E-06 2440 0.716E-03 8403 T= 5783. E= 0.68407930E+03 F= 0.63623632E+03 E0= 0.66613318E+03 EK= 0.47843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358395848431E+03 -0.48097E+00 -0.16393E-01 7980 0.231E+01 0.212E-01 RMM: 2 -0.358406597734E+03 -0.10749E-01 -0.78033E-02 5160 0.672E-01 0.851E-01 RMM: 3 -0.358401997623E+03 0.46001E-02 -0.73674E-03 5606 0.174E-01 0.172E-01 RMM: 4 -0.358401887433E+03 0.11019E-03 -0.65518E-04 4605 0.607E-02 0.163E-01 RMM: 5 -0.358401715492E+03 0.17194E-03 -0.18684E-04 3877 0.364E-02 0.881E-02 RMM: 6 -0.358401703620E+03 0.11872E-04 -0.82970E-05 3598 0.251E-02 8404 T= 6061. E= 0.68573755E+03 F= 0.63559336E+03 E0= 0.66548537E+03 EK= 0.50144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358990684041E+03 -0.58897E+00 -0.17737E-01 7932 0.239E+01 0.333E-01 RMM: 2 -0.359019327740E+03 -0.28644E-01 -0.92899E-02 5229 0.749E-01 0.182E+00 RMM: 3 -0.358997305754E+03 0.22022E-01 -0.12971E-02 5348 0.275E-01 0.279E-01 RMM: 4 -0.358996837081E+03 0.46867E-03 -0.13348E-03 4680 0.723E-02 0.130E-01 RMM: 5 -0.358996762427E+03 0.74654E-04 -0.30203E-04 4054 0.491E-02 0.130E-01 RMM: 6 -0.358996686239E+03 0.76188E-04 -0.14082E-04 3874 0.320E-02 0.905E-02 RMM: 7 -0.358996750295E+03 -0.64056E-04 -0.12079E-04 3869 0.299E-02 0.138E-01 RMM: 8 -0.358996627651E+03 0.12264E-03 -0.60898E-05 3396 0.236E-02 0.420E-02 RMM: 9 -0.358996620367E+03 0.72839E-05 -0.14877E-05 2509 0.113E-02 8405 T= 6473. E= 0.68839234E+03 F= 0.63484336E+03 E0= 0.66472994E+03 EK= 0.53549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359603834248E+03 -0.60721E+00 -0.18459E-01 7620 0.247E+01 0.321E-01 RMM: 2 -0.359630532277E+03 -0.26698E-01 -0.96565E-02 5253 0.774E-01 0.174E+00 RMM: 3 -0.359610892147E+03 0.19640E-01 -0.12370E-02 5356 0.269E-01 0.318E-01 RMM: 4 -0.359610241538E+03 0.65061E-03 -0.14736E-03 4691 0.818E-02 0.126E-01 RMM: 5 -0.359610193401E+03 0.48137E-04 -0.27777E-04 3982 0.454E-02 0.136E-01 RMM: 6 -0.359610087134E+03 0.10627E-03 -0.10232E-04 3813 0.283E-02 0.591E-02 RMM: 7 -0.359610121716E+03 -0.34582E-04 -0.65049E-05 3422 0.218E-02 0.102E-01 RMM: 8 -0.359610053559E+03 0.68157E-04 -0.37388E-05 3022 0.197E-02 0.250E-02 RMM: 9 -0.359610050612E+03 0.29471E-05 -0.82429E-06 2446 0.812E-03 8406 T= 6876. E= 0.69095916E+03 F= 0.63407652E+03 E0= 0.66395826E+03 EK= 0.56883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360143817241E+03 -0.53376E+00 -0.19524E-01 7668 0.252E+01 0.276E-01 RMM: 2 -0.360166443976E+03 -0.22627E-01 -0.11774E-01 5135 0.845E-01 0.143E+00 RMM: 3 -0.360153195640E+03 0.13248E-01 -0.12354E-02 5422 0.244E-01 0.252E-01 RMM: 4 -0.360152781880E+03 0.41376E-03 -0.11341E-03 4691 0.726E-02 0.126E-01 RMM: 5 -0.360152690120E+03 0.91760E-04 -0.26564E-04 3972 0.452E-02 0.114E-01 RMM: 6 -0.360152645175E+03 0.44945E-04 -0.11746E-04 3852 0.293E-02 0.920E-02 RMM: 7 -0.360152672981E+03 -0.27806E-04 -0.10621E-04 3861 0.285E-02 0.120E-01 RMM: 8 -0.360152576224E+03 0.96757E-04 -0.48067E-05 3244 0.211E-02 0.320E-02 RMM: 9 -0.360152573522E+03 0.27019E-05 -0.12745E-05 2478 0.102E-02 8407 T= 7102. E= 0.69213020E+03 F= 0.63338119E+03 E0= 0.66325714E+03 EK= 0.58749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360558864229E+03 -0.40629E+00 -0.19696E-01 7644 0.253E+01 0.246E-01 RMM: 2 -0.360574622227E+03 -0.15758E-01 -0.10419E-01 5127 0.803E-01 0.109E+00 RMM: 3 -0.360567027958E+03 0.75943E-02 -0.10228E-02 5467 0.216E-01 0.182E-01 RMM: 4 -0.360566911862E+03 0.11610E-03 -0.87763E-04 4666 0.680E-02 0.173E-01 RMM: 5 -0.360566726560E+03 0.18530E-03 -0.23273E-04 3909 0.416E-02 0.101E-01 RMM: 6 -0.360566708804E+03 0.17756E-04 -0.11492E-04 3806 0.291E-02 8408 T= 7043. E= 0.69107751E+03 F= 0.63281242E+03 E0= 0.66268159E+03 EK= 0.58265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360836071310E+03 -0.26934E+00 -0.20062E-01 7572 0.249E+01 0.340E-01 RMM: 2 -0.360869881488E+03 -0.33810E-01 -0.12161E-01 4976 0.844E-01 0.190E+00 RMM: 3 -0.360845534939E+03 0.24347E-01 -0.16786E-02 5358 0.303E-01 0.276E-01 RMM: 4 -0.360845223534E+03 0.31141E-03 -0.17563E-03 4919 0.862E-02 0.191E-01 RMM: 5 -0.360845109633E+03 0.11390E-03 -0.35616E-04 4177 0.479E-02 0.174E-01 RMM: 6 -0.360844932721E+03 0.17691E-03 -0.16307E-04 3872 0.343E-02 0.768E-02 RMM: 7 -0.360845005378E+03 -0.72657E-04 -0.12901E-04 3857 0.303E-02 0.135E-01 RMM: 8 -0.360844884917E+03 0.12046E-03 -0.61573E-05 3393 0.239E-02 0.350E-02 RMM: 9 -0.360844881755E+03 0.31618E-05 -0.13448E-05 2502 0.105E-02 8409 T= 6730. E= 0.68805142E+03 F= 0.63237483E+03 E0= 0.66223527E+03 EK= 0.55677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361020319845E+03 -0.17543E+00 -0.18057E-01 7500 0.241E+01 0.364E-01 RMM: 2 -0.361053725314E+03 -0.33405E-01 -0.97019E-02 4875 0.797E-01 0.202E+00 RMM: 3 -0.361027157694E+03 0.26568E-01 -0.15827E-02 5338 0.312E-01 0.340E-01 RMM: 4 -0.361026447609E+03 0.71008E-03 -0.19223E-03 5126 0.943E-02 0.161E-01 RMM: 5 -0.361026535184E+03 -0.87575E-04 -0.33082E-04 4027 0.455E-02 0.208E-01 RMM: 6 -0.361026251191E+03 0.28399E-03 -0.13625E-04 3855 0.332E-02 0.395E-02 RMM: 7 -0.361026279366E+03 -0.28174E-04 -0.47690E-05 3198 0.185E-02 0.814E-02 RMM: 8 -0.361026239575E+03 0.39791E-04 -0.28910E-05 2740 0.179E-02 0.277E-02 RMM: 9 -0.361026235847E+03 0.37276E-05 -0.70928E-06 2448 0.782E-03 8410 T= 6306. E= 0.68419378E+03 F= 0.63202683E+03 E0= 0.66187732E+03 EK= 0.52167E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361164136301E+03 -0.13790E+00 -0.18450E-01 7812 0.233E+01 0.287E-01 RMM: 2 -0.361182583752E+03 -0.18447E-01 -0.10294E-01 4805 0.795E-01 0.124E+00 RMM: 3 -0.361172071989E+03 0.10512E-01 -0.12184E-02 5411 0.245E-01 0.210E-01 RMM: 4 -0.361172163017E+03 -0.91028E-04 -0.14179E-03 4968 0.873E-02 0.263E-01 RMM: 5 -0.361171810238E+03 0.35278E-03 -0.31882E-04 3998 0.453E-02 0.147E-01 RMM: 6 -0.361171680601E+03 0.12964E-03 -0.10129E-04 3714 0.280E-02 0.540E-02 RMM: 7 -0.361171725458E+03 -0.44857E-04 -0.67292E-05 3457 0.221E-02 0.104E-01 RMM: 8 -0.361171654902E+03 0.70556E-04 -0.37800E-05 3043 0.197E-02 0.302E-02 RMM: 9 -0.361171652552E+03 0.23504E-05 -0.10618E-05 2466 0.930E-03 8411 T= 5933. E= 0.68078996E+03 F= 0.63170644E+03 E0= 0.66154588E+03 EK= 0.49084E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361329350682E+03 -0.15770E+00 -0.16124E-01 7632 0.228E+01 0.239E-01 RMM: 2 -0.361338436395E+03 -0.90857E-02 -0.68533E-02 4847 0.652E-01 0.777E-01 RMM: 3 -0.361334497303E+03 0.39391E-02 -0.78925E-03 5389 0.195E-01 0.166E-01 RMM: 4 -0.361334752709E+03 -0.25541E-03 -0.88747E-04 4664 0.720E-02 0.271E-01 RMM: 5 -0.361334304340E+03 0.44837E-03 -0.27490E-04 4063 0.446E-02 0.108E-01 RMM: 6 -0.361334241609E+03 0.62731E-04 -0.75286E-05 3512 0.247E-02 0.533E-02 RMM: 7 -0.361334268722E+03 -0.27113E-04 -0.40615E-05 3037 0.186E-02 0.895E-02 RMM: 8 -0.361334215506E+03 0.53216E-04 -0.28067E-05 2774 0.175E-02 0.199E-02 RMM: 9 -0.361334217281E+03 -0.17751E-05 -0.93030E-06 2447 0.872E-03 8412 T= 5725. E= 0.67872389E+03 F= 0.63136135E+03 E0= 0.66118921E+03 EK= 0.47363E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361538339729E+03 -0.20412E+00 -0.15767E-01 7776 0.226E+01 0.226E-01 RMM: 2 -0.361546618726E+03 -0.82790E-02 -0.58796E-02 4944 0.602E-01 0.784E-01 RMM: 3 -0.361542648960E+03 0.39698E-02 -0.63599E-03 5411 0.174E-01 0.169E-01 RMM: 4 -0.361542796253E+03 -0.14729E-03 -0.82776E-04 4644 0.707E-02 0.243E-01 RMM: 5 -0.361542442573E+03 0.35368E-03 -0.26413E-04 3958 0.441E-02 0.101E-01 RMM: 6 -0.361542394003E+03 0.48570E-04 -0.69568E-05 3489 0.242E-02 0.615E-02 RMM: 7 -0.361542409045E+03 -0.15043E-04 -0.44751E-05 3125 0.193E-02 8413 T= 5732. E= 0.67838458E+03 F= 0.63096550E+03 E0= 0.66078105E+03 EK= 0.47419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361789249596E+03 -0.24686E+00 -0.15931E-01 7716 0.228E+01 0.209E-01 RMM: 2 -0.361797119119E+03 -0.78695E-02 -0.59627E-02 4968 0.596E-01 0.703E-01 RMM: 3 -0.361793789294E+03 0.33298E-02 -0.61293E-03 5418 0.166E-01 0.155E-01 RMM: 4 -0.361793918428E+03 -0.12913E-03 -0.70158E-04 4620 0.658E-02 0.227E-01 RMM: 5 -0.361793609591E+03 0.30884E-03 -0.25935E-04 3944 0.437E-02 0.108E-01 RMM: 6 -0.361793579964E+03 0.29626E-04 -0.10858E-04 3803 0.286E-02 0.887E-02 RMM: 7 -0.361793566561E+03 0.13404E-04 -0.50149E-05 3267 0.214E-02 8414 T= 5950. E= 0.67974697E+03 F= 0.63052480E+03 E0= 0.66032624E+03 EK= 0.49222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362048088730E+03 -0.25451E+00 -0.16843E-01 7788 0.233E+01 0.203E-01 RMM: 2 -0.362056328455E+03 -0.82397E-02 -0.63389E-02 4976 0.629E-01 0.725E-01 RMM: 3 -0.362053021115E+03 0.33073E-02 -0.66721E-03 5484 0.171E-01 0.168E-01 RMM: 4 -0.362052949418E+03 0.71698E-04 -0.59207E-04 4610 0.601E-02 0.172E-01 RMM: 5 -0.362052785694E+03 0.16372E-03 -0.26249E-04 4036 0.458E-02 0.111E-01 RMM: 6 -0.362052760550E+03 0.25144E-04 -0.13959E-04 3876 0.324E-02 0.963E-02 RMM: 7 -0.362052757472E+03 0.30789E-05 -0.55516E-05 3371 0.224E-02 8415 T= 6322. E= 0.68237658E+03 F= 0.63007707E+03 E0= 0.65986302E+03 EK= 0.52300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362256803716E+03 -0.20404E+00 -0.17976E-01 7944 0.240E+01 0.182E-01 RMM: 2 -0.362264642190E+03 -0.78385E-02 -0.67175E-02 5029 0.645E-01 0.615E-01 RMM: 3 -0.362262235814E+03 0.24064E-02 -0.66895E-03 5498 0.168E-01 0.153E-01 RMM: 4 -0.362262146906E+03 0.88908E-04 -0.47125E-04 4575 0.540E-02 0.150E-01 RMM: 5 -0.362261992122E+03 0.15478E-03 -0.22815E-04 3942 0.437E-02 0.922E-02 RMM: 6 -0.362262042619E+03 -0.50497E-04 -0.16029E-04 3880 0.336E-02 0.131E-01 RMM: 7 -0.362261954073E+03 0.88546E-04 -0.64981E-05 3459 0.248E-02 0.711E-02 RMM: 8 -0.362261922430E+03 0.31643E-04 -0.19438E-05 2553 0.134E-02 0.260E-02 RMM: 9 -0.362261924097E+03 -0.16669E-05 -0.11938E-05 2457 0.987E-03 8416 T= 6731. E= 0.68536813E+03 F= 0.62968177E+03 E0= 0.65944774E+03 EK= 0.55686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362354208590E+03 -0.92286E-01 -0.19130E-01 8076 0.246E+01 0.168E-01 RMM: 2 -0.362362598540E+03 -0.83899E-02 -0.73199E-02 4996 0.668E-01 0.604E-01 RMM: 3 -0.362360258466E+03 0.23401E-02 -0.73013E-03 5554 0.172E-01 0.132E-01 RMM: 4 -0.362360177120E+03 0.81346E-04 -0.45956E-04 4564 0.543E-02 0.147E-01 RMM: 5 -0.362360037444E+03 0.13968E-03 -0.17626E-04 3883 0.390E-02 0.802E-02 RMM: 6 -0.362360076425E+03 -0.38981E-04 -0.12954E-04 3865 0.304E-02 0.115E-01 RMM: 7 -0.362360002739E+03 0.73686E-04 -0.57875E-05 3347 0.234E-02 0.600E-02 RMM: 8 -0.362359980279E+03 0.22461E-04 -0.14206E-05 2512 0.115E-02 0.186E-02 RMM: 9 -0.362359980869E+03 -0.58991E-06 -0.82053E-06 2437 0.845E-03 8417 T= 7021. E= 0.68747849E+03 F= 0.62939946E+03 E0= 0.65914041E+03 EK= 0.58079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362305749128E+03 0.54231E-01 -0.19322E-01 7788 0.248E+01 0.184E-01 RMM: 2 -0.362313594416E+03 -0.78453E-02 -0.76154E-02 4962 0.667E-01 0.483E-01 RMM: 3 -0.362311939372E+03 0.16550E-02 -0.73128E-03 5551 0.171E-01 0.143E-01 RMM: 4 -0.362311925351E+03 0.14021E-04 -0.55589E-04 4624 0.618E-02 0.187E-01 RMM: 5 -0.362311687088E+03 0.23826E-03 -0.26249E-04 4017 0.454E-02 0.815E-02 RMM: 6 -0.362311805724E+03 -0.11864E-03 -0.15933E-04 3880 0.334E-02 0.159E-01 RMM: 7 -0.362311660987E+03 0.14474E-03 -0.68517E-05 3522 0.256E-02 0.690E-02 RMM: 8 -0.362311631166E+03 0.29821E-04 -0.19251E-05 2555 0.129E-02 0.265E-02 RMM: 9 -0.362311631371E+03 -0.20493E-06 -0.15313E-05 2459 0.114E-02 8418 T= 7061. E= 0.68767389E+03 F= 0.62926313E+03 E0= 0.65897351E+03 EK= 0.58411E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362121644780E+03 0.18999E+00 -0.18628E-01 7668 0.245E+01 0.205E-01 RMM: 2 -0.362131150855E+03 -0.95061E-02 -0.81904E-02 4898 0.689E-01 0.656E-01 RMM: 3 -0.362128174197E+03 0.29767E-02 -0.84389E-03 5628 0.183E-01 0.142E-01 RMM: 4 -0.362128233811E+03 -0.59614E-04 -0.68064E-04 4646 0.665E-02 0.214E-01 RMM: 5 -0.362127935849E+03 0.29796E-03 -0.25560E-04 4008 0.446E-02 0.836E-02 RMM: 6 -0.362127956220E+03 -0.20371E-04 -0.11591E-04 3790 0.294E-02 0.104E-01 RMM: 7 -0.362127921019E+03 0.35201E-04 -0.44658E-05 3170 0.207E-02 0.809E-02 RMM: 8 -0.362127879705E+03 0.41314E-04 -0.19348E-05 2557 0.139E-02 0.206E-02 RMM: 9 -0.362127881352E+03 -0.16468E-05 -0.89524E-06 2446 0.867E-03 8419 T= 6835. E= 0.68580394E+03 F= 0.62925852E+03 E0= 0.65893354E+03 EK= 0.56545E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361861884252E+03 0.26600E+00 -0.17701E-01 7680 0.239E+01 0.234E-01 RMM: 2 -0.361869908570E+03 -0.80243E-02 -0.75855E-02 5038 0.654E-01 0.580E-01 RMM: 3 -0.361867544730E+03 0.23638E-02 -0.71558E-03 5624 0.169E-01 0.155E-01 RMM: 4 -0.361867840924E+03 -0.29619E-03 -0.80295E-04 4649 0.716E-02 0.294E-01 RMM: 5 -0.361867285945E+03 0.55498E-03 -0.32797E-04 4090 0.483E-02 0.867E-02 RMM: 6 -0.361867277323E+03 0.86222E-05 -0.94752E-05 3666 0.267E-02 8420 T= 6452. E= 0.68270298E+03 F= 0.62932403E+03 E0= 0.65896196E+03 EK= 0.53379E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361605178748E+03 0.26211E+00 -0.16681E-01 7620 0.231E+01 0.358E-01 RMM: 2 -0.361629716390E+03 -0.24538E-01 -0.84727E-02 5135 0.712E-01 0.169E+00 RMM: 3 -0.361610659782E+03 0.19057E-01 -0.11826E-02 5368 0.260E-01 0.273E-01 RMM: 4 -0.361610628016E+03 0.31766E-04 -0.16666E-03 4835 0.909E-02 0.281E-01 RMM: 5 -0.361610249291E+03 0.37872E-03 -0.37555E-04 4170 0.488E-02 0.175E-01 RMM: 6 -0.361610059991E+03 0.18930E-03 -0.13664E-04 3869 0.321E-02 0.617E-02 RMM: 7 -0.361610123113E+03 -0.63122E-04 -0.99940E-05 3782 0.263E-02 0.122E-01 RMM: 8 -0.361610025490E+03 0.97623E-04 -0.49979E-05 3255 0.219E-02 0.329E-02 RMM: 9 -0.361610021800E+03 0.36897E-05 -0.12308E-05 2480 0.101E-02 8421 T= 6071. E= 0.67960214E+03 F= 0.62937773E+03 E0= 0.65897770E+03 EK= 0.50224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361423409464E+03 0.18662E+00 -0.15116E-01 7740 0.226E+01 0.335E-01 RMM: 2 -0.361446997343E+03 -0.23588E-01 -0.69683E-02 5261 0.644E-01 0.170E+00 RMM: 3 -0.361427644285E+03 0.19353E-01 -0.95967E-03 5361 0.237E-01 0.252E-01 RMM: 4 -0.361427614776E+03 0.29508E-04 -0.16524E-03 4750 0.928E-02 0.264E-01 RMM: 5 -0.361427361826E+03 0.25295E-03 -0.33531E-04 4014 0.475E-02 0.193E-01 RMM: 6 -0.361427114372E+03 0.24745E-03 -0.13510E-04 3865 0.330E-02 0.382E-02 RMM: 7 -0.361427144795E+03 -0.30424E-04 -0.48513E-05 3190 0.189E-02 0.845E-02 RMM: 8 -0.361427098986E+03 0.45810E-04 -0.31177E-05 2826 0.185E-02 0.232E-02 RMM: 9 -0.361427096941E+03 0.20446E-05 -0.70848E-06 2444 0.751E-03 8422 T= 5820. E= 0.67749535E+03 F= 0.62934885E+03 E0= 0.65891305E+03 EK= 0.48147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361354366414E+03 0.72733E-01 -0.14355E-01 7956 0.223E+01 0.288E-01 RMM: 2 -0.361366496447E+03 -0.12130E-01 -0.62417E-02 5271 0.602E-01 0.111E+00 RMM: 3 -0.361358301369E+03 0.81951E-02 -0.66405E-03 5396 0.187E-01 0.226E-01 RMM: 4 -0.361358448600E+03 -0.14723E-03 -0.11799E-03 4645 0.815E-02 0.279E-01 RMM: 5 -0.361358014923E+03 0.43368E-03 -0.31605E-04 3930 0.452E-02 0.147E-01 RMM: 6 -0.361357882836E+03 0.13209E-03 -0.10787E-04 3791 0.294E-02 0.539E-02 RMM: 7 -0.361357925615E+03 -0.42778E-04 -0.67996E-05 3469 0.219E-02 0.103E-01 RMM: 8 -0.361357855227E+03 0.70388E-04 -0.37064E-05 3029 0.199E-02 0.276E-02 RMM: 9 -0.361357852231E+03 0.29962E-05 -0.92527E-06 2460 0.863E-03 8423 T= 5767. E= 0.67690902E+03 F= 0.62920021E+03 E0= 0.65873134E+03 EK= 0.47709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361399594115E+03 -0.41739E-01 -0.14169E-01 8124 0.225E+01 0.231E-01 RMM: 2 -0.361406317458E+03 -0.67233E-02 -0.52973E-02 5274 0.548E-01 0.699E-01 RMM: 3 -0.361403158032E+03 0.31594E-02 -0.46281E-03 5488 0.143E-01 0.158E-01 RMM: 4 -0.361403406970E+03 -0.24894E-03 -0.77090E-04 4614 0.678E-02 0.271E-01 RMM: 5 -0.361402951358E+03 0.45561E-03 -0.30088E-04 3948 0.461E-02 0.100E-01 RMM: 6 -0.361402916425E+03 0.34932E-04 -0.96611E-05 3711 0.273E-02 0.750E-02 RMM: 7 -0.361402926967E+03 -0.10542E-04 -0.41544E-05 3110 0.189E-02 8424 T= 5923. E= 0.67793692E+03 F= 0.62893454E+03 E0= 0.65843547E+03 EK= 0.49002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361518064426E+03 -0.11515E+00 -0.15114E-01 8196 0.231E+01 0.229E-01 RMM: 2 -0.361525353241E+03 -0.72888E-02 -0.60479E-02 5184 0.587E-01 0.674E-01 RMM: 3 -0.361522435380E+03 0.29179E-02 -0.55471E-03 5579 0.149E-01 0.170E-01 RMM: 4 -0.361522555178E+03 -0.11980E-03 -0.77055E-04 4617 0.696E-02 0.251E-01 RMM: 5 -0.361522151023E+03 0.40415E-03 -0.36931E-04 4199 0.518E-02 0.947E-02 RMM: 6 -0.361522174779E+03 -0.23756E-04 -0.12771E-04 3861 0.303E-02 0.116E-01 RMM: 7 -0.361522110395E+03 0.64383E-04 -0.58363E-05 3466 0.232E-02 0.734E-02 RMM: 8 -0.361522076617E+03 0.33779E-04 -0.19148E-05 2606 0.137E-02 0.263E-02 RMM: 9 -0.361522079339E+03 -0.27219E-05 -0.11870E-05 2467 0.978E-03 8425 T= 6246. E= 0.68027011E+03 F= 0.62859538E+03 E0= 0.65807015E+03 EK= 0.51675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361637697739E+03 -0.11562E+00 -0.15937E-01 8364 0.238E+01 0.207E-01 RMM: 2 -0.361646189463E+03 -0.84917E-02 -0.63863E-02 5217 0.624E-01 0.782E-01 RMM: 3 -0.361642355944E+03 0.38335E-02 -0.59534E-03 5530 0.162E-01 0.153E-01 RMM: 4 -0.361642281819E+03 0.74125E-04 -0.59656E-04 4603 0.580E-02 0.161E-01 RMM: 5 -0.361642150022E+03 0.13180E-03 -0.24864E-04 3909 0.443E-02 0.114E-01 RMM: 6 -0.361642106207E+03 0.43815E-04 -0.12760E-04 3860 0.313E-02 0.828E-02 RMM: 7 -0.361642084062E+03 0.22145E-04 -0.37194E-05 3039 0.194E-02 0.676E-02 RMM: 8 -0.361642055018E+03 0.29045E-04 -0.14443E-05 2524 0.121E-02 0.185E-02 RMM: 9 -0.361642054724E+03 0.29369E-06 -0.56149E-06 2436 0.683E-03 8426 T= 6636. E= 0.68315140E+03 F= 0.62825792E+03 E0= 0.65770946E+03 EK= 0.54893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361669327865E+03 -0.27273E-01 -0.16824E-01 8004 0.245E+01 0.201E-01 RMM: 2 -0.361676783282E+03 -0.74554E-02 -0.66385E-02 5234 0.618E-01 0.612E-01 RMM: 3 -0.361674410713E+03 0.23726E-02 -0.56466E-03 5617 0.145E-01 0.156E-01 RMM: 4 -0.361674400157E+03 0.10557E-04 -0.58920E-04 4597 0.629E-02 0.201E-01 RMM: 5 -0.361674133521E+03 0.26664E-03 -0.33656E-04 4264 0.509E-02 0.918E-02 RMM: 6 -0.361674215476E+03 -0.81955E-04 -0.16063E-04 3874 0.333E-02 0.146E-01 RMM: 7 -0.361674100450E+03 0.11503E-03 -0.72574E-05 3578 0.258E-02 0.754E-02 RMM: 8 -0.361674063921E+03 0.36529E-04 -0.20986E-05 2665 0.139E-02 0.265E-02 RMM: 9 -0.361674064137E+03 -0.21662E-06 -0.14713E-05 2466 0.111E-02 8427 T= 6944. E= 0.68545259E+03 F= 0.62801080E+03 E0= 0.65744326E+03 EK= 0.57442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361541999580E+03 0.13206E+00 -0.17602E-01 7884 0.249E+01 0.207E-01 RMM: 2 -0.361550732955E+03 -0.87334E-02 -0.77056E-02 5139 0.678E-01 0.666E-01 RMM: 3 -0.361547978812E+03 0.27541E-02 -0.72642E-03 5634 0.166E-01 0.148E-01 RMM: 4 -0.361547939084E+03 0.39728E-04 -0.61370E-04 4619 0.623E-02 0.191E-01 RMM: 5 -0.361547704617E+03 0.23447E-03 -0.28813E-04 4076 0.477E-02 0.928E-02 RMM: 6 -0.361547753320E+03 -0.48704E-04 -0.15615E-04 3872 0.335E-02 0.129E-01 RMM: 7 -0.361547667250E+03 0.86070E-04 -0.60047E-05 3426 0.237E-02 0.713E-02 RMM: 8 -0.361547634890E+03 0.32360E-04 -0.17760E-05 2562 0.129E-02 0.245E-02 RMM: 9 -0.361547635997E+03 -0.11074E-05 -0.10019E-05 2456 0.907E-03 8428 T= 7034. E= 0.68611310E+03 F= 0.62792233E+03 E0= 0.65734024E+03 EK= 0.58191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361237900216E+03 0.30973E+00 -0.16999E-01 7752 0.247E+01 0.221E-01 RMM: 2 -0.361245392266E+03 -0.74921E-02 -0.70381E-02 5150 0.635E-01 0.593E-01 RMM: 3 -0.361243201845E+03 0.21904E-02 -0.64809E-03 5651 0.155E-01 0.145E-01 RMM: 4 -0.361243413747E+03 -0.21190E-03 -0.71680E-04 4615 0.684E-02 0.270E-01 RMM: 5 -0.361242952045E+03 0.46170E-03 -0.33303E-04 4125 0.498E-02 0.909E-02 RMM: 6 -0.361242973887E+03 -0.21842E-04 -0.13850E-04 3870 0.316E-02 0.111E-01 RMM: 7 -0.361242915293E+03 0.58595E-04 -0.53271E-05 3361 0.221E-02 0.691E-02 RMM: 8 -0.361242884647E+03 0.30646E-04 -0.16843E-05 2548 0.129E-02 0.224E-02 RMM: 9 -0.361242885945E+03 -0.12983E-05 -0.84836E-06 2448 0.816E-03 8429 T= 6864. E= 0.68479346E+03 F= 0.62800896E+03 E0= 0.65741893E+03 EK= 0.56785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360795171956E+03 0.44771E+00 -0.16120E-01 7728 0.242E+01 0.240E-01 RMM: 2 -0.360802098598E+03 -0.69266E-02 -0.64543E-02 5149 0.604E-01 0.604E-01 RMM: 3 -0.360799792629E+03 0.23060E-02 -0.60002E-03 5610 0.152E-01 0.152E-01 RMM: 4 -0.360800162363E+03 -0.36973E-03 -0.81606E-04 4625 0.717E-02 0.310E-01 RMM: 5 -0.360799535628E+03 0.62674E-03 -0.36244E-04 4086 0.508E-02 0.829E-02 RMM: 6 -0.360799543113E+03 -0.74849E-05 -0.10043E-04 3718 0.271E-02 8430 T= 6515. E= 0.68212158E+03 F= 0.62822756E+03 E0= 0.65763799E+03 EK= 0.53894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360294278425E+03 0.50526E+00 -0.15602E-01 7608 0.235E+01 0.354E-01 RMM: 2 -0.360312785295E+03 -0.18507E-01 -0.71098E-02 5087 0.647E-01 0.146E+00 RMM: 3 -0.360298719097E+03 0.14066E-01 -0.10448E-02 5337 0.241E-01 0.273E-01 RMM: 4 -0.360298838604E+03 -0.11951E-03 -0.16487E-03 4800 0.914E-02 0.316E-01 RMM: 5 -0.360298334737E+03 0.50387E-03 -0.47656E-04 4540 0.568E-02 0.183E-01 RMM: 6 -0.360298127672E+03 0.20707E-03 -0.16155E-04 3874 0.335E-02 0.681E-02 RMM: 7 -0.360298190643E+03 -0.62972E-04 -0.10561E-04 3801 0.274E-02 0.125E-01 RMM: 8 -0.360298086377E+03 0.10427E-03 -0.51821E-05 3293 0.220E-02 0.339E-02 RMM: 9 -0.360298082832E+03 0.35443E-05 -0.12803E-05 2495 0.102E-02 8431 T= 6135. E= 0.67924647E+03 F= 0.62849554E+03 E0= 0.65791377E+03 EK= 0.50751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359826622049E+03 0.47146E+00 -0.14771E-01 7524 0.228E+01 0.327E-01 RMM: 2 -0.359844384496E+03 -0.17762E-01 -0.59129E-02 5137 0.596E-01 0.147E+00 RMM: 3 -0.359830021745E+03 0.14363E-01 -0.86054E-03 5343 0.224E-01 0.252E-01 RMM: 4 -0.359830055120E+03 -0.33375E-04 -0.16170E-03 4777 0.930E-02 0.281E-01 RMM: 5 -0.359829732634E+03 0.32249E-03 -0.35953E-04 4204 0.505E-02 0.185E-01 RMM: 6 -0.359829498676E+03 0.23396E-03 -0.11616E-04 3826 0.305E-02 0.353E-02 RMM: 7 -0.359829530383E+03 -0.31707E-04 -0.45078E-05 3162 0.184E-02 0.837E-02 RMM: 8 -0.359829485935E+03 0.44448E-04 -0.27839E-05 2779 0.178E-02 0.185E-02 RMM: 9 -0.359829485384E+03 0.55115E-06 -0.60298E-06 2439 0.689E-03 8432 T= 5860. E= 0.67720036E+03 F= 0.62872191E+03 E0= 0.65815709E+03 EK= 0.48478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359462234315E+03 0.36725E+00 -0.14378E-01 7584 0.225E+01 0.279E-01 RMM: 2 -0.359470578289E+03 -0.83440E-02 -0.60563E-02 5020 0.586E-01 0.812E-01 RMM: 3 -0.359466317508E+03 0.42608E-02 -0.66064E-03 5392 0.175E-01 0.224E-01 RMM: 4 -0.359466849088E+03 -0.53158E-03 -0.12527E-03 4718 0.857E-02 0.368E-01 RMM: 5 -0.359465954270E+03 0.89482E-03 -0.48026E-04 4410 0.576E-02 0.928E-02 RMM: 6 -0.359465938751E+03 0.15519E-04 -0.10105E-04 3731 0.263E-02 8433 T= 5772. E= 0.67658910E+03 F= 0.62883677E+03 E0= 0.65829700E+03 EK= 0.47752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359242787618E+03 0.22317E+00 -0.14500E-01 7560 0.225E+01 0.371E-01 RMM: 2 -0.359264599684E+03 -0.21812E-01 -0.62171E-02 5074 0.620E-01 0.167E+00 RMM: 3 -0.359246289588E+03 0.18310E-01 -0.11432E-02 5334 0.265E-01 0.295E-01 RMM: 4 -0.359246039148E+03 0.25044E-03 -0.16157E-03 4801 0.888E-02 0.246E-01 RMM: 5 -0.359245882697E+03 0.15645E-03 -0.49652E-04 4573 0.580E-02 0.217E-01 RMM: 6 -0.359245592660E+03 0.29004E-03 -0.24403E-04 3891 0.419E-02 0.771E-02 RMM: 7 -0.359245656287E+03 -0.63627E-04 -0.98197E-05 3731 0.275E-02 0.129E-01 RMM: 8 -0.359245548691E+03 0.10760E-03 -0.51476E-05 3315 0.220E-02 0.423E-02 RMM: 9 -0.359245540905E+03 0.77856E-05 -0.13031E-05 2507 0.105E-02 8434 T= 5896. E= 0.67758273E+03 F= 0.62880580E+03 E0= 0.65829787E+03 EK= 0.48777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359164783779E+03 0.80765E-01 -0.15060E-01 7728 0.229E+01 0.316E-01 RMM: 2 -0.359184376600E+03 -0.19593E-01 -0.68135E-02 4973 0.631E-01 0.150E+00 RMM: 3 -0.359169585429E+03 0.14791E-01 -0.10742E-02 5341 0.248E-01 0.306E-01 RMM: 4 -0.359169111985E+03 0.47344E-03 -0.14515E-03 4752 0.835E-02 0.180E-01 RMM: 5 -0.359169084961E+03 0.27024E-04 -0.43824E-04 4559 0.581E-02 0.189E-01 RMM: 6 -0.359168857346E+03 0.22762E-03 -0.14753E-04 3878 0.324E-02 0.564E-02 RMM: 7 -0.359168912208E+03 -0.54863E-04 -0.80819E-05 3575 0.246E-02 0.110E-01 RMM: 8 -0.359168836171E+03 0.76037E-04 -0.35377E-05 3068 0.191E-02 0.307E-02 RMM: 9 -0.359168830617E+03 0.55535E-05 -0.67221E-06 2457 0.741E-03 8435 T= 6203. E= 0.67994470E+03 F= 0.62863232E+03 E0= 0.65816258E+03 EK= 0.51312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359194536684E+03 -0.25701E-01 -0.15891E-01 8052 0.236E+01 0.261E-01 RMM: 2 -0.359207050153E+03 -0.12513E-01 -0.64275E-02 5118 0.626E-01 0.109E+00 RMM: 3 -0.359199102062E+03 0.79481E-02 -0.71835E-03 5382 0.191E-01 0.201E-01 RMM: 4 -0.359199024024E+03 0.78038E-04 -0.95503E-04 4615 0.724E-02 0.206E-01 RMM: 5 -0.359198818535E+03 0.20549E-03 -0.48407E-04 4597 0.619E-02 0.148E-01 RMM: 6 -0.359198751731E+03 0.66805E-04 -0.17797E-04 3880 0.348E-02 0.112E-01 RMM: 7 -0.359198720571E+03 0.31160E-04 -0.10130E-04 3822 0.308E-02 0.981E-02 RMM: 8 -0.359198658950E+03 0.61621E-04 -0.34666E-05 3079 0.180E-02 0.287E-02 RMM: 9 -0.359198661800E+03 -0.28499E-05 -0.11645E-05 2483 0.976E-03 8436 T= 6603. E= 0.68298164E+03 F= 0.62835593E+03 E0= 0.65792861E+03 EK= 0.54626E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359261296303E+03 -0.62637E-01 -0.16922E-01 7752 0.244E+01 0.215E-01 RMM: 2 -0.359271412480E+03 -0.10116E-01 -0.76889E-02 5060 0.679E-01 0.785E-01 RMM: 3 -0.359267410351E+03 0.40021E-02 -0.80268E-03 5591 0.180E-01 0.186E-01 RMM: 4 -0.359267235772E+03 0.17458E-03 -0.65772E-04 4615 0.614E-02 0.170E-01 RMM: 5 -0.359267054199E+03 0.18157E-03 -0.40077E-04 4568 0.579E-02 0.108E-01 RMM: 6 -0.359267093050E+03 -0.38851E-04 -0.19475E-04 3881 0.360E-02 0.136E-01 RMM: 7 -0.359267025263E+03 0.67787E-04 -0.82378E-05 3637 0.276E-02 0.950E-02 RMM: 8 -0.359266965272E+03 0.59992E-04 -0.26289E-05 2846 0.158E-02 0.276E-02 RMM: 9 -0.359266964521E+03 0.75108E-06 -0.11120E-05 2467 0.947E-03 8437 T= 6953. E= 0.68556202E+03 F= 0.62804483E+03 E0= 0.65766158E+03 EK= 0.57517E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359288161514E+03 -0.21196E-01 -0.17869E-01 8040 0.248E+01 0.224E-01 RMM: 2 -0.359298220287E+03 -0.10059E-01 -0.73831E-02 5045 0.669E-01 0.805E-01 RMM: 3 -0.359293945025E+03 0.42753E-02 -0.76252E-03 5538 0.179E-01 0.174E-01 RMM: 4 -0.359293882203E+03 0.62822E-04 -0.76293E-04 4635 0.696E-02 0.201E-01 RMM: 5 -0.359293631694E+03 0.25051E-03 -0.43926E-04 4545 0.593E-02 0.113E-01 RMM: 6 -0.359293692185E+03 -0.60491E-04 -0.18846E-04 3888 0.354E-02 0.149E-01 RMM: 7 -0.359293584520E+03 0.10766E-03 -0.87813E-05 3748 0.291E-02 0.868E-02 RMM: 8 -0.359293536707E+03 0.47813E-04 -0.24835E-05 2838 0.152E-02 0.293E-02 RMM: 9 -0.359293537330E+03 -0.62277E-06 -0.11948E-05 2470 0.987E-03 8438 T= 7098. E= 0.68649599E+03 F= 0.62777684E+03 E0= 0.65743599E+03 EK= 0.58719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359214156411E+03 0.79380E-01 -0.18312E-01 7632 0.248E+01 0.226E-01 RMM: 2 -0.359222441455E+03 -0.82850E-02 -0.71918E-02 5066 0.651E-01 0.644E-01 RMM: 3 -0.359219663260E+03 0.27782E-02 -0.72206E-03 5606 0.170E-01 0.171E-01 RMM: 4 -0.359219737586E+03 -0.74326E-04 -0.77678E-04 4644 0.708E-02 0.245E-01 RMM: 5 -0.359219371834E+03 0.36575E-03 -0.41643E-04 4544 0.568E-02 0.113E-01 RMM: 6 -0.359219386800E+03 -0.14966E-04 -0.16490E-04 3882 0.332E-02 8439 T= 6966. E= 0.68523848E+03 F= 0.62760694E+03 E0= 0.65730389E+03 EK= 0.57632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359023204168E+03 0.19617E+00 -0.18008E-01 7560 0.244E+01 0.389E-01 RMM: 2 -0.359048260477E+03 -0.25056E-01 -0.77958E-02 5096 0.690E-01 0.175E+00 RMM: 3 -0.359028052065E+03 0.20208E-01 -0.13159E-02 5354 0.279E-01 0.326E-01 RMM: 4 -0.359027670252E+03 0.38181E-03 -0.18447E-03 4908 0.956E-02 0.251E-01 RMM: 5 -0.359027624105E+03 0.46148E-04 -0.69028E-04 4608 0.696E-02 0.261E-01 RMM: 6 -0.359027220780E+03 0.40332E-03 -0.32439E-04 3954 0.480E-02 0.101E-01 RMM: 7 -0.359027278959E+03 -0.58180E-04 -0.15477E-04 3888 0.341E-02 0.141E-01 RMM: 8 -0.359027151348E+03 0.12761E-03 -0.81938E-05 3690 0.275E-02 0.523E-02 RMM: 9 -0.359027138426E+03 0.12922E-04 -0.17568E-05 2568 0.126E-02 8440 T= 6618. E= 0.68229984E+03 F= 0.62754825E+03 E0= 0.65727402E+03 EK= 0.54752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358738416503E+03 0.28873E+00 -0.16638E-01 7464 0.237E+01 0.368E-01 RMM: 2 -0.358765551686E+03 -0.27135E-01 -0.71178E-02 5119 0.646E-01 0.183E+00 RMM: 3 -0.358742854558E+03 0.22697E-01 -0.11554E-02 5349 0.262E-01 0.326E-01 RMM: 4 -0.358742494333E+03 0.36023E-03 -0.20051E-03 5005 0.102E-01 0.262E-01 RMM: 5 -0.358742452502E+03 0.41831E-04 -0.49791E-04 4525 0.587E-02 0.257E-01 RMM: 6 -0.358742001121E+03 0.45138E-03 -0.20334E-04 3885 0.385E-02 0.466E-02 RMM: 7 -0.358742030264E+03 -0.29144E-04 -0.64119E-05 3414 0.218E-02 0.856E-02 RMM: 8 -0.358741983425E+03 0.46839E-04 -0.28681E-05 2838 0.178E-02 0.296E-02 RMM: 9 -0.358741979012E+03 0.44133E-05 -0.74093E-06 2458 0.802E-03 8441 T= 6203. E= 0.67888484E+03 F= 0.62757254E+03 E0= 0.65731980E+03 EK= 0.51312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358410385949E+03 0.33160E+00 -0.15516E-01 7500 0.231E+01 0.332E-01 RMM: 2 -0.358421799866E+03 -0.11414E-01 -0.66516E-02 5168 0.618E-01 0.106E+00 RMM: 3 -0.358414469181E+03 0.73307E-02 -0.76446E-03 5371 0.200E-01 0.266E-01 RMM: 4 -0.358414908577E+03 -0.43940E-03 -0.16212E-03 4730 0.965E-02 0.378E-01 RMM: 5 -0.358414057222E+03 0.85136E-03 -0.53554E-04 4567 0.597E-02 0.162E-01 RMM: 6 -0.358413913504E+03 0.14372E-03 -0.16088E-04 3887 0.333E-02 0.782E-02 RMM: 7 -0.358413955251E+03 -0.41746E-04 -0.80036E-05 3618 0.249E-02 0.117E-01 RMM: 8 -0.358413864955E+03 0.90295E-04 -0.41165E-05 3142 0.200E-02 0.339E-02 RMM: 9 -0.358413861258E+03 0.36976E-05 -0.12009E-05 2482 0.981E-03 8442 T= 5869. E= 0.67617916E+03 F= 0.62762928E+03 E0= 0.65739053E+03 EK= 0.48550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358092701941E+03 0.32116E+00 -0.14705E-01 7716 0.226E+01 0.325E-01 RMM: 2 -0.358105091930E+03 -0.12390E-01 -0.69017E-02 5106 0.631E-01 0.112E+00 RMM: 3 -0.358096978582E+03 0.81133E-02 -0.77941E-03 5389 0.195E-01 0.220E-01 RMM: 4 -0.358097613687E+03 -0.63511E-03 -0.15926E-03 4751 0.966E-02 0.392E-01 RMM: 5 -0.358096731589E+03 0.88210E-03 -0.53565E-04 4510 0.602E-02 0.169E-01 RMM: 6 -0.358096553675E+03 0.17791E-03 -0.15116E-04 3880 0.321E-02 0.587E-02 RMM: 7 -0.358096600634E+03 -0.46959E-04 -0.67291E-05 3472 0.226E-02 0.109E-01 RMM: 8 -0.358096521103E+03 0.79531E-04 -0.35785E-05 3074 0.191E-02 0.245E-02 RMM: 9 -0.358096522206E+03 -0.11026E-05 -0.10694E-05 2471 0.915E-03 8443 T= 5714. E= 0.67493481E+03 F= 0.62766695E+03 E0= 0.65743642E+03 EK= 0.47268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357826742325E+03 0.26978E+00 -0.14515E-01 7656 0.225E+01 0.283E-01 RMM: 2 -0.357834926850E+03 -0.81845E-02 -0.74442E-02 4995 0.643E-01 0.671E-01 RMM: 3 -0.357832042802E+03 0.28840E-02 -0.78907E-03 5509 0.179E-01 0.211E-01 RMM: 4 -0.357832532910E+03 -0.49011E-03 -0.12815E-03 4705 0.887E-02 0.371E-01 RMM: 5 -0.357831651378E+03 0.88153E-03 -0.56008E-04 4555 0.616E-02 0.101E-01 RMM: 6 -0.357831641182E+03 0.10196E-04 -0.12561E-04 3854 0.289E-02 8444 T= 5777. E= 0.67544139E+03 F= 0.62764830E+03 E0= 0.65742323E+03 EK= 0.47793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357637585820E+03 0.19407E+00 -0.14921E-01 7692 0.229E+01 0.418E-01 RMM: 2 -0.357672689410E+03 -0.35104E-01 -0.91508E-02 5044 0.745E-01 0.211E+00 RMM: 3 -0.357643311843E+03 0.29378E-01 -0.15110E-02 5341 0.302E-01 0.350E-01 RMM: 4 -0.357642797962E+03 0.51388E-03 -0.21267E-03 4924 0.991E-02 0.246E-01 RMM: 5 -0.357642816312E+03 -0.18350E-04 -0.73240E-04 4598 0.694E-02 0.278E-01 RMM: 6 -0.357642337518E+03 0.47879E-03 -0.35529E-04 3942 0.499E-02 0.886E-02 RMM: 7 -0.357642415135E+03 -0.77617E-04 -0.16330E-04 3880 0.349E-02 0.147E-01 RMM: 8 -0.357642278658E+03 0.13648E-03 -0.77427E-05 3585 0.267E-02 0.472E-02 RMM: 9 -0.357642269010E+03 0.96476E-05 -0.18159E-05 2559 0.126E-02 8445 T= 6048. E= 0.67758725E+03 F= 0.62755531E+03 E0= 0.65733185E+03 EK= 0.50032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357524694871E+03 0.11758E+00 -0.15714E-01 7788 0.235E+01 0.314E-01 RMM: 2 -0.357545532904E+03 -0.20838E-01 -0.81028E-02 5066 0.680E-01 0.149E+00 RMM: 3 -0.357530700598E+03 0.14832E-01 -0.10856E-02 5358 0.246E-01 0.324E-01 RMM: 4 -0.357530158805E+03 0.54179E-03 -0.16163E-03 4759 0.896E-02 0.185E-01 RMM: 5 -0.357530133852E+03 0.24952E-04 -0.51543E-04 4585 0.624E-02 0.202E-01 RMM: 6 -0.357529884388E+03 0.24946E-03 -0.18717E-04 3881 0.364E-02 0.668E-02 RMM: 7 -0.357529936702E+03 -0.52314E-04 -0.93027E-05 3671 0.266E-02 0.115E-01 RMM: 8 -0.357529850989E+03 0.85713E-04 -0.40163E-05 3131 0.201E-02 0.277E-02 RMM: 9 -0.357529846926E+03 0.40633E-05 -0.66412E-06 2461 0.719E-03 8446 T= 6458. E= 0.68081949E+03 F= 0.62739034E+03 E0= 0.65716894E+03 EK= 0.53429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357469689928E+03 0.60161E-01 -0.16386E-01 7848 0.242E+01 0.312E-01 RMM: 2 -0.357488435707E+03 -0.18746E-01 -0.91472E-02 5171 0.752E-01 0.137E+00 RMM: 3 -0.357476292772E+03 0.12143E-01 -0.10080E-02 5385 0.229E-01 0.269E-01 RMM: 4 -0.357475948407E+03 0.34437E-03 -0.12700E-03 4653 0.804E-02 0.195E-01 RMM: 5 -0.357475802033E+03 0.14637E-03 -0.63174E-04 4596 0.707E-02 0.176E-01 RMM: 6 -0.357475681851E+03 0.12018E-03 -0.24642E-04 3894 0.411E-02 0.119E-01 RMM: 7 -0.357475685509E+03 -0.36582E-05 -0.12140E-04 3862 0.324E-02 8447 T= 6878. E= 0.68407686E+03 F= 0.62717324E+03 E0= 0.65695399E+03 EK= 0.56904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357445055844E+03 0.30626E-01 -0.16775E-01 7968 0.247E+01 0.272E-01 RMM: 2 -0.357456682645E+03 -0.11627E-01 -0.10049E-01 5097 0.772E-01 0.766E-01 RMM: 3 -0.357453069689E+03 0.36130E-02 -0.10059E-02 5606 0.196E-01 0.200E-01 RMM: 4 -0.357453090952E+03 -0.21263E-04 -0.10370E-03 4660 0.808E-02 0.274E-01 RMM: 5 -0.357452607991E+03 0.48296E-03 -0.61673E-04 4603 0.686E-02 0.126E-01 RMM: 6 -0.357452745805E+03 -0.13781E-03 -0.35834E-04 4053 0.484E-02 0.196E-01 RMM: 7 -0.357452522909E+03 0.22290E-03 -0.15313E-04 3876 0.376E-02 0.818E-02 RMM: 8 -0.357452483504E+03 0.39405E-04 -0.27246E-05 2862 0.157E-02 0.395E-02 RMM: 9 -0.357452490577E+03 -0.70738E-05 -0.20323E-05 2539 0.127E-02 8448 T= 7140. E= 0.68600035E+03 F= 0.62692944E+03 E0= 0.65671102E+03 EK= 0.59071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357433123787E+03 0.19360E-01 -0.17982E-01 7620 0.249E+01 0.253E-01 RMM: 2 -0.357449264654E+03 -0.16141E-01 -0.12379E-01 4957 0.859E-01 0.963E-01 RMM: 3 -0.357443293596E+03 0.59711E-02 -0.13129E-02 5652 0.223E-01 0.195E-01 RMM: 4 -0.357443077770E+03 0.21583E-03 -0.10502E-03 4731 0.787E-02 0.199E-01 RMM: 5 -0.357442886833E+03 0.19094E-03 -0.44161E-04 4547 0.582E-02 0.139E-01 RMM: 6 -0.357442819976E+03 0.66857E-04 -0.19616E-04 3888 0.371E-02 0.968E-02 RMM: 7 -0.357442820153E+03 -0.17702E-06 -0.62295E-05 3433 0.238E-02 8449 T= 7124. E= 0.68560825E+03 F= 0.62667207E+03 E0= 0.65645320E+03 EK= 0.58936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357443877217E+03 -0.10572E-02 -0.17370E-01 7692 0.245E+01 0.319E-01 RMM: 2 -0.357454459001E+03 -0.10582E-01 -0.94989E-02 5118 0.755E-01 0.777E-01 RMM: 3 -0.357450726988E+03 0.37320E-02 -0.96552E-03 5582 0.200E-01 0.228E-01 RMM: 4 -0.357451279805E+03 -0.55282E-03 -0.14233E-03 4799 0.944E-02 0.400E-01 RMM: 5 -0.357450206235E+03 0.10736E-02 -0.69232E-04 4606 0.698E-02 0.114E-01 RMM: 6 -0.357450281263E+03 -0.75028E-04 -0.26014E-04 3891 0.412E-02 0.163E-01 RMM: 7 -0.357450133770E+03 0.14749E-03 -0.10981E-04 3821 0.326E-02 0.787E-02 RMM: 8 -0.357450096507E+03 0.37263E-04 -0.23078E-05 2731 0.144E-02 0.336E-02 RMM: 9 -0.357450103575E+03 -0.70681E-05 -0.19537E-05 2524 0.125E-02 8450 T= 6840. E= 0.68297487E+03 F= 0.62639237E+03 E0= 0.65616965E+03 EK= 0.56583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357488102929E+03 -0.38006E-01 -0.17370E-01 7692 0.238E+01 0.277E-01 RMM: 2 -0.357500437215E+03 -0.12334E-01 -0.10504E-01 4883 0.792E-01 0.809E-01 RMM: 3 -0.357496229236E+03 0.42080E-02 -0.11691E-02 5721 0.213E-01 0.192E-01 RMM: 4 -0.357496480094E+03 -0.25086E-03 -0.12765E-03 4854 0.893E-02 0.320E-01 RMM: 5 -0.357495902000E+03 0.57809E-03 -0.46903E-04 4549 0.577E-02 0.147E-01 RMM: 6 -0.357495778453E+03 0.12355E-03 -0.14813E-04 3873 0.323E-02 0.653E-02 RMM: 7 -0.357495807299E+03 -0.28846E-04 -0.49641E-05 3265 0.209E-02 0.994E-02 RMM: 8 -0.357495742199E+03 0.65100E-04 -0.24314E-05 2749 0.161E-02 0.205E-02 RMM: 9 -0.357495743512E+03 -0.13123E-05 -0.81154E-06 2456 0.790E-03 8451 T= 6419. E= 0.67916912E+03 F= 0.62606436E+03 E0= 0.65583401E+03 EK= 0.53105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357602716319E+03 -0.10697E+00 -0.15699E-01 7608 0.231E+01 0.317E-01 RMM: 2 -0.357610177950E+03 -0.74616E-02 -0.74520E-02 5027 0.664E-01 0.621E-01 RMM: 3 -0.357607725455E+03 0.24525E-02 -0.75218E-03 5476 0.181E-01 0.242E-01 RMM: 4 -0.357608426979E+03 -0.70152E-03 -0.13914E-03 4853 0.948E-02 0.426E-01 RMM: 5 -0.357607246161E+03 0.11808E-02 -0.61193E-04 4591 0.658E-02 0.106E-01 RMM: 6 -0.357607219054E+03 0.27106E-04 -0.14048E-04 3869 0.299E-02 0.955E-02 RMM: 7 -0.357607199983E+03 0.19071E-04 -0.57856E-05 3411 0.230E-02 8452 T= 6028. E= 0.67552902E+03 F= 0.62565824E+03 E0= 0.65541653E+03 EK= 0.49871E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357799812441E+03 -0.19259E+00 -0.14758E-01 7584 0.225E+01 0.335E-01 RMM: 2 -0.357807358893E+03 -0.75465E-02 -0.70368E-02 4989 0.659E-01 0.711E-01 RMM: 3 -0.357804363136E+03 0.29958E-02 -0.80259E-03 5425 0.195E-01 0.268E-01 RMM: 4 -0.357805181607E+03 -0.81847E-03 -0.15400E-03 4894 0.973E-02 0.460E-01 RMM: 5 -0.357803797838E+03 0.13838E-02 -0.74705E-04 4597 0.728E-02 0.107E-01 RMM: 6 -0.357803795698E+03 0.21397E-05 -0.14422E-04 3872 0.307E-02 8453 T= 5788. E= 0.67303832E+03 F= 0.62515547E+03 E0= 0.65490008E+03 EK= 0.47883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358079369986E+03 -0.27557E+00 -0.14469E-01 7560 0.223E+01 0.386E-01 RMM: 2 -0.358101938183E+03 -0.22568E-01 -0.77746E-02 4898 0.694E-01 0.163E+00 RMM: 3 -0.358084234808E+03 0.17703E-01 -0.12739E-02 5336 0.275E-01 0.292E-01 RMM: 4 -0.358084320128E+03 -0.85320E-04 -0.19085E-03 5077 0.974E-02 0.333E-01 RMM: 5 -0.358083789172E+03 0.53096E-03 -0.74264E-04 4604 0.740E-02 0.204E-01 RMM: 6 -0.358083556030E+03 0.23314E-03 -0.23981E-04 3880 0.410E-02 0.888E-02 RMM: 7 -0.358083603098E+03 -0.47068E-04 -0.11257E-04 3835 0.303E-02 0.129E-01 RMM: 8 -0.358083494554E+03 0.10854E-03 -0.60063E-05 3433 0.235E-02 0.393E-02 RMM: 9 -0.358083490943E+03 0.36111E-05 -0.13596E-05 2507 0.108E-02 8454 T= 5755. E= 0.67217005E+03 F= 0.62456170E+03 E0= 0.65428918E+03 EK= 0.47608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358412597224E+03 -0.32910E+00 -0.14432E-01 7776 0.226E+01 0.370E-01 RMM: 2 -0.358434342988E+03 -0.21746E-01 -0.66134E-02 4933 0.654E-01 0.165E+00 RMM: 3 -0.358416519585E+03 0.17823E-01 -0.12273E-02 5333 0.274E-01 0.312E-01 RMM: 4 -0.358416301510E+03 0.21807E-03 -0.18546E-03 5071 0.983E-02 0.275E-01 RMM: 5 -0.358416064547E+03 0.23696E-03 -0.58392E-04 4577 0.664E-02 0.220E-01 RMM: 6 -0.358415758470E+03 0.30608E-03 -0.18106E-04 3872 0.362E-02 0.621E-02 RMM: 7 -0.358415804338E+03 -0.45868E-04 -0.89764E-05 3656 0.257E-02 0.107E-01 RMM: 8 -0.358415728750E+03 0.75588E-04 -0.39707E-05 3128 0.204E-02 0.288E-02 RMM: 9 -0.358415724627E+03 0.41227E-05 -0.63925E-06 2464 0.734E-03 8455 T= 5929. E= 0.67296547E+03 F= 0.62391258E+03 E0= 0.65362234E+03 EK= 0.49053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358734320511E+03 -0.31859E+00 -0.15523E-01 8040 0.231E+01 0.317E-01 RMM: 2 -0.358748961944E+03 -0.14641E-01 -0.70918E-02 5000 0.675E-01 0.122E+00 RMM: 3 -0.358739125532E+03 0.98364E-02 -0.89510E-03 5337 0.221E-01 0.256E-01 RMM: 4 -0.358739075897E+03 0.49636E-04 -0.13410E-03 4806 0.867E-02 0.269E-01 RMM: 5 -0.358738780719E+03 0.29518E-03 -0.88622E-04 4608 0.845E-02 0.200E-01 RMM: 6 -0.358738585912E+03 0.19481E-03 -0.24533E-04 3888 0.408E-02 0.109E-01 RMM: 7 -0.358738572156E+03 0.13756E-04 -0.16070E-04 3866 0.393E-02 8456 T= 6261. E= 0.67507114E+03 F= 0.62327482E+03 E0= 0.65296602E+03 EK= 0.51796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358958905264E+03 -0.22032E+00 -0.16854E-01 8112 0.238E+01 0.283E-01 RMM: 2 -0.358967159073E+03 -0.82538E-02 -0.72447E-02 5046 0.679E-01 0.689E-01 RMM: 3 -0.358964144343E+03 0.30147E-02 -0.76041E-03 5437 0.184E-01 0.215E-01 RMM: 4 -0.358964426582E+03 -0.28224E-03 -0.12435E-03 4827 0.925E-02 0.337E-01 RMM: 5 -0.358963758538E+03 0.66804E-03 -0.91351E-04 4608 0.842E-02 0.144E-01 RMM: 6 -0.358963831162E+03 -0.72625E-04 -0.31403E-04 3903 0.461E-02 0.185E-01 RMM: 7 -0.358963650475E+03 0.18069E-03 -0.18037E-04 3875 0.425E-02 0.101E-01 RMM: 8 -0.358963589562E+03 0.60913E-04 -0.38624E-05 3095 0.188E-02 0.392E-02 RMM: 9 -0.358963592143E+03 -0.25804E-05 -0.24589E-05 2564 0.146E-02 8457 T= 6644. E= 0.67770088E+03 F= 0.62273954E+03 E0= 0.65241406E+03 EK= 0.54961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358985473713E+03 -0.21884E-01 -0.17849E-01 8124 0.244E+01 0.220E-01 RMM: 2 -0.358996920941E+03 -0.11447E-01 -0.79365E-02 4892 0.723E-01 0.878E-01 RMM: 3 -0.358991845402E+03 0.50755E-02 -0.88864E-03 5482 0.200E-01 0.178E-01 RMM: 4 -0.358991721541E+03 0.12386E-03 -0.75202E-04 4664 0.691E-02 0.177E-01 RMM: 5 -0.358991520763E+03 0.20078E-03 -0.50678E-04 4603 0.662E-02 0.108E-01 RMM: 6 -0.358991591710E+03 -0.70947E-04 -0.23235E-04 3884 0.397E-02 0.151E-01 RMM: 7 -0.358991500496E+03 0.91214E-04 -0.83907E-05 3628 0.288E-02 0.980E-02 RMM: 8 -0.358991435800E+03 0.64696E-04 -0.26261E-05 2807 0.157E-02 0.212E-02 RMM: 9 -0.358991435961E+03 -0.16156E-06 -0.86627E-06 2454 0.873E-03 8458 T= 6930. E= 0.67973912E+03 F= 0.62240578E+03 E0= 0.65206418E+03 EK= 0.57333E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358733918450E+03 0.25752E+00 -0.17642E-01 7980 0.247E+01 0.268E-01 RMM: 2 -0.358740961765E+03 -0.70433E-02 -0.72031E-02 4985 0.676E-01 0.541E-01 RMM: 3 -0.358739184535E+03 0.17772E-02 -0.76174E-03 5515 0.179E-01 0.216E-01 RMM: 4 -0.358739430793E+03 -0.24626E-03 -0.12675E-03 4904 0.963E-02 0.330E-01 RMM: 5 -0.358738735775E+03 0.69502E-03 -0.80438E-04 4608 0.777E-02 0.114E-01 RMM: 6 -0.358738870736E+03 -0.13496E-03 -0.26733E-04 3895 0.434E-02 0.190E-01 RMM: 7 -0.358738665564E+03 0.20517E-03 -0.14683E-04 3856 0.381E-02 0.862E-02 RMM: 8 -0.358738620843E+03 0.44721E-04 -0.30311E-05 2923 0.168E-02 0.364E-02 RMM: 9 -0.358738623810E+03 -0.29667E-05 -0.20044E-05 2521 0.134E-02 8459 T= 6993. E= 0.68020293E+03 F= 0.62235395E+03 E0= 0.65199824E+03 EK= 0.57849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358165369017E+03 0.57325E+00 -0.17342E-01 7884 0.246E+01 0.251E-01 RMM: 2 -0.358173737075E+03 -0.83681E-02 -0.73328E-02 4856 0.676E-01 0.665E-01 RMM: 3 -0.358170822202E+03 0.29149E-02 -0.82877E-03 5511 0.189E-01 0.180E-01 RMM: 4 -0.358171114025E+03 -0.29182E-03 -0.10371E-03 4832 0.843E-02 0.311E-01 RMM: 5 -0.358170522264E+03 0.59176E-03 -0.61633E-04 4607 0.690E-02 0.119E-01 RMM: 6 -0.358170561929E+03 -0.39665E-04 -0.22173E-04 3885 0.388E-02 0.146E-01 RMM: 7 -0.358170464928E+03 0.97001E-04 -0.10465E-04 3812 0.327E-02 0.911E-02 RMM: 8 -0.358170411732E+03 0.53197E-04 -0.26815E-05 2867 0.159E-02 0.285E-02 RMM: 9 -0.358170414053E+03 -0.23214E-05 -0.12855E-05 2481 0.106E-02 8460 T= 6799. E= 0.67886164E+03 F= 0.62261426E+03 E0= 0.65224586E+03 EK= 0.56247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357309339485E+03 0.86107E+00 -0.16619E-01 7716 0.240E+01 0.303E-01 RMM: 2 -0.357316674963E+03 -0.73355E-02 -0.64766E-02 4958 0.619E-01 0.692E-01 RMM: 3 -0.357313429161E+03 0.32458E-02 -0.71220E-03 5398 0.181E-01 0.219E-01 RMM: 4 -0.357314104131E+03 -0.67497E-03 -0.15352E-03 4976 0.101E-01 0.409E-01 RMM: 5 -0.357313060634E+03 0.10435E-02 -0.69843E-04 4605 0.712E-02 0.123E-01 RMM: 6 -0.357313023197E+03 0.37437E-04 -0.15843E-04 3875 0.326E-02 0.104E-01 RMM: 7 -0.357312994876E+03 0.28321E-04 -0.74780E-05 3648 0.268E-02 0.921E-02 RMM: 8 -0.357312940140E+03 0.54735E-04 -0.25270E-05 2869 0.158E-02 0.260E-02 RMM: 9 -0.357312945205E+03 -0.50651E-05 -0.11590E-05 2485 0.965E-03 8461 T= 6437. E= 0.67641006E+03 F= 0.62315642E+03 E0= 0.65277575E+03 EK= 0.53254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356226902664E+03 0.10860E+01 -0.15678E-01 7668 0.233E+01 0.324E-01 RMM: 2 -0.356233329149E+03 -0.64265E-02 -0.59776E-02 4972 0.597E-01 0.691E-01 RMM: 3 -0.356230357413E+03 0.29717E-02 -0.68032E-03 5390 0.181E-01 0.251E-01 RMM: 4 -0.356231166539E+03 -0.80913E-03 -0.14513E-03 4891 0.967E-02 0.441E-01 RMM: 5 -0.356229916679E+03 0.12499E-02 -0.62904E-04 4598 0.667E-02 0.128E-01 RMM: 6 -0.356229846821E+03 0.69858E-04 -0.15625E-04 3879 0.323E-02 0.869E-02 RMM: 7 -0.356229860339E+03 -0.13518E-04 -0.64184E-05 3484 0.239E-02 8462 T= 6054. E= 0.67399732E+03 F= 0.62391470E+03 E0= 0.65352179E+03 EK= 0.50083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354992298198E+03 0.12375E+01 -0.15063E-01 7620 0.226E+01 0.368E-01 RMM: 2 -0.354998214575E+03 -0.59164E-02 -0.60166E-02 5019 0.601E-01 0.694E-01 RMM: 3 -0.354995556023E+03 0.26586E-02 -0.69745E-03 5349 0.185E-01 0.321E-01 RMM: 4 -0.354996558889E+03 -0.10029E-02 -0.16929E-03 4888 0.102E-01 0.518E-01 RMM: 5 -0.354994767262E+03 0.17916E-02 -0.90950E-04 4608 0.801E-02 0.980E-02 RMM: 6 -0.354994801359E+03 -0.34098E-04 -0.17599E-04 3876 0.340E-02 0.130E-01 RMM: 7 -0.354994741058E+03 0.60302E-04 -0.74348E-05 3581 0.251E-02 0.101E-01 RMM: 8 -0.354994673200E+03 0.67857E-04 -0.40985E-05 3153 0.191E-02 0.280E-02 RMM: 9 -0.354994684982E+03 -0.11782E-04 -0.17618E-05 2530 0.119E-02 8463 T= 5779. E= 0.67262438E+03 F= 0.62481673E+03 E0= 0.65441114E+03 EK= 0.47808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353663952427E+03 0.13307E+01 -0.14428E-01 7668 0.223E+01 0.307E-01 RMM: 2 -0.353669312121E+03 -0.53597E-02 -0.53116E-02 5028 0.554E-01 0.633E-01 RMM: 3 -0.353666960437E+03 0.23517E-02 -0.58442E-03 5383 0.165E-01 0.251E-01 RMM: 4 -0.353667625555E+03 -0.66512E-03 -0.11487E-03 4689 0.839E-02 0.418E-01 RMM: 5 -0.353666499491E+03 0.11261E-02 -0.52321E-04 4552 0.605E-02 0.101E-01 RMM: 6 -0.353666461283E+03 0.38207E-04 -0.13180E-04 3862 0.298E-02 0.739E-02 RMM: 7 -0.353666456384E+03 0.48994E-05 -0.35760E-05 3044 0.188E-02 8464 T= 5690. E= 0.67288167E+03 F= 0.62580770E+03 E0= 0.65538863E+03 EK= 0.47074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352275808663E+03 0.13907E+01 -0.14219E-01 7848 0.223E+01 0.335E-01 RMM: 2 -0.352279811210E+03 -0.40025E-02 -0.44957E-02 5164 0.511E-01 0.585E-01 RMM: 3 -0.352278025785E+03 0.17854E-02 -0.46719E-03 5358 0.150E-01 0.307E-01 RMM: 4 -0.352278789886E+03 -0.76410E-03 -0.15007E-03 4717 0.976E-02 0.472E-01 RMM: 5 -0.352277304551E+03 0.14853E-02 -0.82622E-04 4608 0.756E-02 0.947E-02 RMM: 6 -0.352277334799E+03 -0.30247E-04 -0.17692E-04 3884 0.344E-02 0.125E-01 RMM: 7 -0.352277257744E+03 0.77054E-04 -0.70230E-05 3549 0.255E-02 0.804E-02 RMM: 8 -0.352277216981E+03 0.40763E-04 -0.26450E-05 2847 0.157E-02 0.304E-02 RMM: 9 -0.352277225030E+03 -0.80490E-05 -0.16613E-05 2517 0.116E-02 8465 T= 5814. E= 0.67495989E+03 F= 0.62686173E+03 E0= 0.65642928E+03 EK= 0.48098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350827217438E+03 0.14500E+01 -0.14714E-01 8004 0.227E+01 0.255E-01 RMM: 2 -0.350831482154E+03 -0.42647E-02 -0.47852E-02 5062 0.522E-01 0.470E-01 RMM: 3 -0.350830197709E+03 0.12844E-02 -0.48759E-03 5495 0.140E-01 0.207E-01 RMM: 4 -0.350830571270E+03 -0.37356E-03 -0.96269E-04 4630 0.813E-02 0.340E-01 RMM: 5 -0.350829822789E+03 0.74848E-03 -0.41949E-04 4313 0.544E-02 0.885E-02 RMM: 6 -0.350829842940E+03 -0.20150E-04 -0.14707E-04 3875 0.320E-02 0.109E-01 RMM: 7 -0.350829784343E+03 0.58597E-04 -0.52932E-05 3380 0.231E-02 0.649E-02 RMM: 8 -0.350829757260E+03 0.27083E-04 -0.13291E-05 2522 0.114E-02 0.205E-02 RMM: 9 -0.350829757895E+03 -0.63472E-06 -0.67054E-06 2440 0.756E-03 8466 T= 6128. E= 0.67867316E+03 F= 0.62798201E+03 E0= 0.65753559E+03 EK= 0.50691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349302151167E+03 0.15276E+01 -0.15870E-01 8184 0.234E+01 0.259E-01 RMM: 2 -0.349307138999E+03 -0.49878E-02 -0.47712E-02 5175 0.524E-01 0.573E-01 RMM: 3 -0.349305107429E+03 0.20316E-02 -0.45291E-03 5529 0.134E-01 0.194E-01 RMM: 4 -0.349305523367E+03 -0.41594E-03 -0.11059E-03 4632 0.872E-02 0.346E-01 RMM: 5 -0.349304777333E+03 0.74603E-03 -0.61055E-04 4601 0.669E-02 0.117E-01 RMM: 6 -0.349304776412E+03 0.92071E-06 -0.18251E-04 3882 0.349E-02 8467 T= 6550. E= 0.68337869E+03 F= 0.62919159E+03 E0= 0.65873266E+03 EK= 0.54187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347672718832E+03 0.16321E+01 -0.17118E-01 8328 0.241E+01 0.377E-01 RMM: 2 -0.347697651696E+03 -0.24933E-01 -0.69548E-02 5179 0.664E-01 0.179E+00 RMM: 3 -0.347676655636E+03 0.20996E-01 -0.11391E-02 5338 0.264E-01 0.292E-01 RMM: 4 -0.347676332271E+03 0.32337E-03 -0.14996E-03 4689 0.849E-02 0.235E-01 RMM: 5 -0.347676238272E+03 0.93999E-04 -0.10921E-03 4608 0.936E-02 0.241E-01 RMM: 6 -0.347675979335E+03 0.25894E-03 -0.44188E-04 4510 0.551E-02 0.139E-01 RMM: 7 -0.347675995648E+03 -0.16313E-04 -0.20113E-04 3882 0.399E-02 0.160E-01 RMM: 8 -0.347675825682E+03 0.16997E-03 -0.11735E-04 3808 0.332E-02 0.448E-02 RMM: 9 -0.347675826347E+03 -0.66504E-06 -0.22918E-05 2703 0.145E-02 8468 T= 6940. E= 0.68792973E+03 F= 0.63051735E+03 E0= 0.66004405E+03 EK= 0.57412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345930131370E+03 0.17457E+01 -0.17642E-01 8100 0.246E+01 0.307E-01 RMM: 2 -0.345950291709E+03 -0.20160E-01 -0.56688E-02 5253 0.569E-01 0.157E+00 RMM: 3 -0.345933693548E+03 0.16598E-01 -0.90598E-03 5338 0.230E-01 0.266E-01 RMM: 4 -0.345933467804E+03 0.22574E-03 -0.13934E-03 4671 0.847E-02 0.216E-01 RMM: 5 -0.345933395022E+03 0.72782E-04 -0.47921E-04 4584 0.611E-02 0.207E-01 RMM: 6 -0.345933120926E+03 0.27410E-03 -0.17172E-04 3880 0.349E-02 0.594E-02 RMM: 7 -0.345933176764E+03 -0.55838E-04 -0.86746E-05 3608 0.257E-02 0.112E-01 RMM: 8 -0.345933092986E+03 0.83778E-04 -0.39681E-05 3137 0.202E-02 0.223E-02 RMM: 9 -0.345933090793E+03 0.21926E-05 -0.61872E-06 2464 0.708E-03 8469 T= 7134. E= 0.69098576E+03 F= 0.63196614E+03 E0= 0.66148045E+03 EK= 0.59020E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344098905575E+03 0.18342E+01 -0.18428E-01 7884 0.246E+01 0.321E-01 RMM: 2 -0.344115034245E+03 -0.16129E-01 -0.68404E-02 5234 0.637E-01 0.134E+00 RMM: 3 -0.344103099115E+03 0.11935E-01 -0.81837E-03 5348 0.210E-01 0.248E-01 RMM: 4 -0.344103084320E+03 0.14794E-04 -0.14602E-03 4705 0.902E-02 0.273E-01 RMM: 5 -0.344102744259E+03 0.34006E-03 -0.72511E-04 4608 0.745E-02 0.191E-01 RMM: 6 -0.344102572018E+03 0.17224E-03 -0.23652E-04 3892 0.401E-02 0.109E-01 RMM: 7 -0.344102578362E+03 -0.63442E-05 -0.13413E-04 3865 0.344E-02 8470 T= 7040. E= 0.69174979E+03 F= 0.63350692E+03 E0= 0.66301049E+03 EK= 0.58243E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342249286487E+03 0.18533E+01 -0.17835E-01 7956 0.242E+01 0.316E-01 RMM: 2 -0.342256172478E+03 -0.68860E-02 -0.61549E-02 5214 0.591E-01 0.706E-01 RMM: 3 -0.342253105757E+03 0.30667E-02 -0.59429E-03 5448 0.164E-01 0.259E-01 RMM: 4 -0.342253683640E+03 -0.57788E-03 -0.14878E-03 4716 0.967E-02 0.411E-01 RMM: 5 -0.342252639985E+03 0.10437E-02 -0.74319E-04 4586 0.723E-02 0.148E-01 RMM: 6 -0.342252566980E+03 0.73005E-04 -0.22903E-04 3898 0.389E-02 0.114E-01 RMM: 7 -0.342252557978E+03 0.90020E-05 -0.10040E-04 3844 0.297E-02 8471 T= 6704. E= 0.69052724E+03 F= 0.63506614E+03 E0= 0.66456230E+03 EK= 0.55461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340474968386E+03 0.17776E+01 -0.17796E-01 7824 0.236E+01 0.331E-01 RMM: 2 -0.340485437797E+03 -0.10469E-01 -0.73539E-02 5129 0.665E-01 0.961E-01 RMM: 3 -0.340479458465E+03 0.59793E-02 -0.82081E-03 5432 0.201E-01 0.259E-01 RMM: 4 -0.340479897971E+03 -0.43951E-03 -0.16195E-03 4832 0.975E-02 0.379E-01 RMM: 5 -0.340479137537E+03 0.76043E-03 -0.58488E-04 4525 0.629E-02 0.198E-01 RMM: 6 -0.340478892069E+03 0.24547E-03 -0.21520E-04 3889 0.385E-02 0.634E-02 RMM: 7 -0.340478939702E+03 -0.47633E-04 -0.84111E-05 3595 0.255E-02 0.112E-01 RMM: 8 -0.340478860390E+03 0.79312E-04 -0.37144E-05 3098 0.192E-02 0.375E-02 RMM: 9 -0.340478854109E+03 0.62804E-05 -0.10869E-05 2482 0.918E-03 8472 T= 6278. E= 0.68847652E+03 F= 0.63654428E+03 E0= 0.66603644E+03 EK= 0.51932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338871988538E+03 0.16069E+01 -0.16426E-01 7860 0.229E+01 0.312E-01 RMM: 2 -0.338880181677E+03 -0.81931E-02 -0.62376E-02 5225 0.583E-01 0.823E-01 RMM: 3 -0.338875720120E+03 0.44616E-02 -0.62178E-03 5399 0.173E-01 0.226E-01 RMM: 4 -0.338876620753E+03 -0.90063E-03 -0.13423E-03 4661 0.878E-02 0.445E-01 RMM: 5 -0.338875351361E+03 0.12694E-02 -0.58320E-04 4536 0.639E-02 0.107E-01 RMM: 6 -0.338875300080E+03 0.51281E-04 -0.12823E-04 3864 0.292E-02 0.698E-02 RMM: 7 -0.338875309995E+03 -0.99159E-05 -0.42624E-05 3156 0.190E-02 8473 T= 5924. E= 0.68685676E+03 F= 0.63784668E+03 E0= 0.66733993E+03 EK= 0.49010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337510694564E+03 0.13646E+01 -0.15605E-01 7956 0.225E+01 0.355E-01 RMM: 2 -0.337519275414E+03 -0.85809E-02 -0.62419E-02 5280 0.602E-01 0.905E-01 RMM: 3 -0.337514049408E+03 0.52260E-02 -0.68323E-03 5421 0.185E-01 0.272E-01 RMM: 4 -0.337514881781E+03 -0.83237E-03 -0.17641E-03 4757 0.102E-01 0.461E-01 RMM: 5 -0.337513582518E+03 0.12993E-02 -0.72721E-04 4577 0.706E-02 0.166E-01 RMM: 6 -0.337513432016E+03 0.15050E-03 -0.19473E-04 3878 0.357E-02 0.844E-02 RMM: 7 -0.337513458945E+03 -0.26929E-04 -0.81789E-05 3629 0.255E-02 0.114E-01 RMM: 8 -0.337513373285E+03 0.85660E-04 -0.37091E-05 3087 0.188E-02 0.355E-02 RMM: 9 -0.337513371696E+03 0.15881E-05 -0.15132E-05 2509 0.109E-02 8474 T= 5755. E= 0.68651693E+03 F= 0.63890423E+03 E0= 0.66840462E+03 EK= 0.47613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336432347877E+03 0.10810E+01 -0.15601E-01 8040 0.225E+01 0.291E-01 RMM: 2 -0.336440356689E+03 -0.80088E-02 -0.62440E-02 5198 0.586E-01 0.791E-01 RMM: 3 -0.336436213013E+03 0.41437E-02 -0.60526E-03 5455 0.167E-01 0.216E-01 RMM: 4 -0.336436791260E+03 -0.57825E-03 -0.13784E-03 4689 0.917E-02 0.378E-01 RMM: 5 -0.336435922905E+03 0.86836E-03 -0.56043E-04 4504 0.627E-02 0.140E-01 RMM: 6 -0.336435809965E+03 0.11294E-03 -0.13441E-04 3872 0.301E-02 0.626E-02 RMM: 7 -0.336435848317E+03 -0.38352E-04 -0.59178E-05 3406 0.216E-02 0.103E-01 RMM: 8 -0.336435776625E+03 0.71692E-04 -0.30194E-05 2953 0.179E-02 0.241E-02 RMM: 9 -0.336435775089E+03 0.15354E-05 -0.76252E-06 2460 0.757E-03 8475 T= 5819. E= 0.68781342E+03 F= 0.63967876E+03 E0= 0.66919255E+03 EK= 0.48135E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335649682621E+03 0.78609E+00 -0.16186E-01 7956 0.229E+01 0.294E-01 RMM: 2 -0.335659558080E+03 -0.98755E-02 -0.63105E-02 5253 0.597E-01 0.939E-01 RMM: 3 -0.335653632969E+03 0.59251E-02 -0.63295E-03 5468 0.173E-01 0.212E-01 RMM: 4 -0.335653975479E+03 -0.34251E-03 -0.13689E-03 4677 0.924E-02 0.329E-01 RMM: 5 -0.335653384040E+03 0.59144E-03 -0.52535E-04 4491 0.599E-02 0.172E-01 RMM: 6 -0.335653221342E+03 0.16270E-03 -0.19458E-04 3898 0.368E-02 0.840E-02 RMM: 7 -0.335653268973E+03 -0.47631E-04 -0.96905E-05 3742 0.278E-02 0.124E-01 RMM: 8 -0.335653167873E+03 0.10110E-03 -0.48474E-05 3281 0.213E-02 0.352E-02 RMM: 9 -0.335653162261E+03 0.56123E-05 -0.11000E-05 2491 0.961E-03 8476 T= 6104. E= 0.69066072E+03 F= 0.64016453E+03 E0= 0.66969788E+03 EK= 0.50496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335138260406E+03 0.51491E+00 -0.17342E-01 8016 0.237E+01 0.276E-01 RMM: 2 -0.335150315752E+03 -0.12055E-01 -0.71025E-02 5236 0.640E-01 0.105E+00 RMM: 3 -0.335143075254E+03 0.72405E-02 -0.70203E-03 5477 0.183E-01 0.201E-01 RMM: 4 -0.335143199606E+03 -0.12435E-03 -0.11148E-03 4631 0.818E-02 0.273E-01 RMM: 5 -0.335142751420E+03 0.44819E-03 -0.54551E-04 4586 0.645E-02 0.132E-01 RMM: 6 -0.335142732060E+03 0.19360E-04 -0.18782E-04 3884 0.351E-02 8477 T= 6538. E= 0.69447637E+03 F= 0.64038766E+03 E0= 0.66994656E+03 EK= 0.54089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334840726472E+03 0.30202E+00 -0.19228E-01 7788 0.246E+01 0.384E-01 RMM: 2 -0.334869738174E+03 -0.29012E-01 -0.90952E-02 5203 0.745E-01 0.185E+00 RMM: 3 -0.334846906998E+03 0.22831E-01 -0.14486E-02 5339 0.294E-01 0.345E-01 RMM: 4 -0.334846242414E+03 0.66458E-03 -0.16866E-03 4754 0.868E-02 0.186E-01 RMM: 5 -0.334846164162E+03 0.78252E-04 -0.71709E-04 4608 0.739E-02 0.210E-01 RMM: 6 -0.334845981391E+03 0.18277E-03 -0.49044E-04 4585 0.604E-02 0.140E-01 RMM: 7 -0.334846065567E+03 -0.84176E-04 -0.20695E-04 3880 0.386E-02 0.186E-01 RMM: 8 -0.334845845750E+03 0.21982E-03 -0.13072E-04 3855 0.351E-02 0.528E-02 RMM: 9 -0.334845837274E+03 0.84760E-05 -0.22214E-05 2675 0.140E-02 8478 T= 6974. E= 0.69810303E+03 F= 0.64040715E+03 E0= 0.66999322E+03 EK= 0.57696E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334673984371E+03 0.17186E+00 -0.20313E-01 7788 0.253E+01 0.395E-01 RMM: 2 -0.334707854905E+03 -0.33871E-01 -0.88447E-02 5305 0.731E-01 0.207E+00 RMM: 3 -0.334680052345E+03 0.27803E-01 -0.14722E-02 5336 0.301E-01 0.452E-01 RMM: 4 -0.334678698233E+03 0.13541E-02 -0.21664E-03 4902 0.102E-01 0.147E-01 RMM: 5 -0.334678809999E+03 -0.11177E-03 -0.53745E-04 4576 0.633E-02 0.220E-01 RMM: 6 -0.334678489967E+03 0.32003E-03 -0.20989E-04 3886 0.394E-02 0.668E-02 RMM: 7 -0.334678577718E+03 -0.87751E-04 -0.12906E-04 3851 0.301E-02 0.135E-01 RMM: 8 -0.334678457257E+03 0.12046E-03 -0.59611E-05 3403 0.237E-02 0.303E-02 RMM: 9 -0.334678452220E+03 0.50372E-05 -0.84044E-06 2482 0.840E-03 8479 T= 7225. E= 0.70007200E+03 F= 0.64030409E+03 E0= 0.66991769E+03 EK= 0.59768E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334549119221E+03 0.12934E+00 -0.20704E-01 7884 0.255E+01 0.308E-01 RMM: 2 -0.334569292566E+03 -0.20173E-01 -0.82739E-02 5223 0.705E-01 0.146E+00 RMM: 3 -0.334554898492E+03 0.14394E-01 -0.94854E-03 5365 0.227E-01 0.252E-01 RMM: 4 -0.334554702440E+03 0.19605E-03 -0.13266E-03 4690 0.834E-02 0.222E-01 RMM: 5 -0.334554475975E+03 0.22647E-03 -0.66993E-04 4608 0.730E-02 0.177E-01 RMM: 6 -0.334554372959E+03 0.10302E-03 -0.28248E-04 3915 0.444E-02 0.131E-01 RMM: 7 -0.334554375570E+03 -0.26115E-05 -0.15414E-04 3876 0.365E-02 8480 T= 7162. E= 0.69940830E+03 F= 0.64015949E+03 E0= 0.66979661E+03 EK= 0.59249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334407601472E+03 0.14677E+00 -0.19741E-01 7500 0.252E+01 0.317E-01 RMM: 2 -0.334418501231E+03 -0.10900E-01 -0.74674E-02 5166 0.676E-01 0.970E-01 RMM: 3 -0.334412500900E+03 0.60003E-02 -0.79517E-03 5395 0.200E-01 0.278E-01 RMM: 4 -0.334412498691E+03 0.22087E-05 -0.13568E-03 4791 0.903E-02 0.296E-01 RMM: 5 -0.334412068916E+03 0.42978E-03 -0.65576E-04 4596 0.681E-02 0.197E-01 RMM: 6 -0.334411879657E+03 0.18926E-03 -0.29392E-04 3919 0.455E-02 0.113E-01 RMM: 7 -0.334411938818E+03 -0.59161E-04 -0.15471E-04 3888 0.354E-02 0.151E-01 RMM: 8 -0.334411786990E+03 0.15183E-03 -0.77438E-05 3594 0.263E-02 0.417E-02 RMM: 9 -0.334411783360E+03 0.36306E-05 -0.18674E-05 2558 0.126E-02 8481 T= 6811. E= 0.69637555E+03 F= 0.64002934E+03 E0= 0.66968352E+03 EK= 0.56346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334222764025E+03 0.18902E+00 -0.19045E-01 7524 0.244E+01 0.282E-01 RMM: 2 -0.334234743377E+03 -0.11979E-01 -0.78382E-02 4909 0.671E-01 0.989E-01 RMM: 3 -0.334228186438E+03 0.65569E-02 -0.89169E-03 5396 0.209E-01 0.178E-01 RMM: 4 -0.334228781282E+03 -0.59484E-03 -0.12236E-03 4747 0.828E-02 0.366E-01 RMM: 5 -0.334227975358E+03 0.80592E-03 -0.44227E-04 4550 0.570E-02 0.119E-01 RMM: 6 -0.334227898404E+03 0.76954E-04 -0.12562E-04 3853 0.297E-02 0.599E-02 RMM: 7 -0.334227928051E+03 -0.29647E-04 -0.42623E-05 3119 0.195E-02 0.935E-02 RMM: 8 -0.334227871017E+03 0.57034E-04 -0.24521E-05 2705 0.164E-02 0.236E-02 RMM: 9 -0.334227869116E+03 0.19009E-05 -0.68596E-06 2448 0.741E-03 8482 T= 6330. E= 0.69229411E+03 F= 0.63993189E+03 E0= 0.66959557E+03 EK= 0.52362E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334002808869E+03 0.22506E+00 -0.17594E-01 7740 0.237E+01 0.335E-01 RMM: 2 -0.334012935785E+03 -0.10127E-01 -0.79723E-02 4970 0.674E-01 0.870E-01 RMM: 3 -0.334007969091E+03 0.49667E-02 -0.90887E-03 5442 0.205E-01 0.263E-01 RMM: 4 -0.334008850301E+03 -0.88121E-03 -0.17253E-03 5028 0.103E-01 0.465E-01 RMM: 5 -0.334007534513E+03 0.13158E-02 -0.67385E-04 4588 0.680E-02 0.159E-01 RMM: 6 -0.334007397550E+03 0.13696E-03 -0.19890E-04 3877 0.367E-02 0.819E-02 RMM: 7 -0.334007448279E+03 -0.50729E-04 -0.88397E-05 3672 0.262E-02 0.125E-01 RMM: 8 -0.334007342554E+03 0.10573E-03 -0.43531E-05 3206 0.202E-02 0.314E-02 RMM: 9 -0.334007342123E+03 0.43043E-06 -0.14256E-05 2507 0.107E-02 8483 T= 5898. E= 0.68865707E+03 F= 0.63986073E+03 E0= 0.66952677E+03 EK= 0.48796E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333759413931E+03 0.24793E+00 -0.16751E-01 7620 0.230E+01 0.326E-01 RMM: 2 -0.333769824031E+03 -0.10410E-01 -0.85548E-02 4900 0.698E-01 0.847E-01 RMM: 3 -0.333765194779E+03 0.46293E-02 -0.98990E-03 5508 0.208E-01 0.246E-01 RMM: 4 -0.333765808449E+03 -0.61367E-03 -0.16244E-03 4977 0.978E-02 0.410E-01 RMM: 5 -0.333764810722E+03 0.99773E-03 -0.62771E-04 4598 0.664E-02 0.167E-01 RMM: 6 -0.333764642026E+03 0.16870E-03 -0.16860E-04 3901 0.339E-02 0.666E-02 RMM: 7 -0.333764692495E+03 -0.50469E-04 -0.78589E-05 3576 0.246E-02 0.114E-01 RMM: 8 -0.333764605670E+03 0.86825E-04 -0.39970E-05 3133 0.197E-02 0.370E-02 RMM: 9 -0.333764599931E+03 0.57390E-05 -0.12381E-05 2495 0.100E-02 8484 T= 5643. E= 0.68648549E+03 F= 0.63980331E+03 E0= 0.66946579E+03 EK= 0.46682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333501790944E+03 0.26281E+00 -0.15708E-01 7548 0.228E+01 0.324E-01 RMM: 2 -0.333513761709E+03 -0.11971E-01 -0.60112E-02 5145 0.587E-01 0.114E+00 RMM: 3 -0.333505108428E+03 0.86533E-02 -0.71053E-03 5393 0.192E-01 0.220E-01 RMM: 4 -0.333505861865E+03 -0.75344E-03 -0.16132E-03 4805 0.986E-02 0.412E-01 RMM: 5 -0.333504852189E+03 0.10097E-02 -0.56171E-04 4560 0.623E-02 0.165E-01 RMM: 6 -0.333504698395E+03 0.15379E-03 -0.17467E-04 3880 0.344E-02 0.773E-02 RMM: 7 -0.333504743953E+03 -0.45558E-04 -0.87370E-05 3656 0.260E-02 0.118E-01 RMM: 8 -0.333504651057E+03 0.92896E-04 -0.43163E-05 3207 0.203E-02 0.307E-02 RMM: 9 -0.333504649200E+03 0.18573E-05 -0.10454E-05 2482 0.911E-03 8485 T= 5619. E= 0.68624332E+03 F= 0.63975948E+03 E0= 0.66941304E+03 EK= 0.46484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333205177416E+03 0.29947E+00 -0.16561E-01 7728 0.230E+01 0.296E-01 RMM: 2 -0.333215983719E+03 -0.10806E-01 -0.74480E-02 5000 0.642E-01 0.935E-01 RMM: 3 -0.333210229259E+03 0.57545E-02 -0.84165E-03 5483 0.194E-01 0.229E-01 RMM: 4 -0.333210479869E+03 -0.25061E-03 -0.13806E-03 4787 0.899E-02 0.328E-01 RMM: 5 -0.333209964517E+03 0.51535E-03 -0.55674E-04 4601 0.636E-02 0.194E-01 RMM: 6 -0.333209737584E+03 0.22693E-03 -0.19741E-04 3897 0.369E-02 0.725E-02 RMM: 7 -0.333209796222E+03 -0.58639E-04 -0.99346E-05 3771 0.280E-02 0.123E-01 RMM: 8 -0.333209695811E+03 0.10041E-03 -0.47462E-05 3274 0.211E-02 0.351E-02 RMM: 9 -0.333209690729E+03 0.50822E-05 -0.11331E-05 2490 0.973E-03 8486 T= 5828. E= 0.68796756E+03 F= 0.63975322E+03 E0= 0.66939361E+03 EK= 0.48214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332830898547E+03 0.37880E+00 -0.16913E-01 8112 0.236E+01 0.282E-01 RMM: 2 -0.332843184959E+03 -0.12286E-01 -0.60842E-02 5256 0.592E-01 0.112E+00 RMM: 3 -0.332834759329E+03 0.84256E-02 -0.67026E-03 5415 0.184E-01 0.212E-01 RMM: 4 -0.332834875605E+03 -0.11628E-03 -0.11382E-03 4614 0.810E-02 0.274E-01 RMM: 5 -0.332834487141E+03 0.38846E-03 -0.52912E-04 4606 0.635E-02 0.165E-01 RMM: 6 -0.332834365995E+03 0.12115E-03 -0.19958E-04 3882 0.368E-02 0.103E-01 RMM: 7 -0.332834380677E+03 -0.14681E-04 -0.10625E-04 3858 0.307E-02 8487 T= 6220. E= 0.69129180E+03 F= 0.63983525E+03 E0= 0.66945770E+03 EK= 0.51457E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332304342590E+03 0.53002E+00 -0.18769E-01 8208 0.243E+01 0.269E-01 RMM: 2 -0.332315675703E+03 -0.11333E-01 -0.88803E-02 5063 0.707E-01 0.831E-01 RMM: 3 -0.332311115118E+03 0.45606E-02 -0.96538E-03 5689 0.195E-01 0.219E-01 RMM: 4 -0.332311055868E+03 0.59251E-04 -0.10609E-03 4725 0.803E-02 0.263E-01 RMM: 5 -0.332310637651E+03 0.41822E-03 -0.68809E-04 4605 0.733E-02 0.144E-01 RMM: 6 -0.332310688585E+03 -0.50934E-04 -0.25175E-04 3904 0.405E-02 0.170E-01 RMM: 7 -0.332310540956E+03 0.14763E-03 -0.14076E-04 3873 0.372E-02 0.965E-02 RMM: 8 -0.332310483058E+03 0.57898E-04 -0.41809E-05 3192 0.190E-02 0.377E-02 RMM: 9 -0.332310490105E+03 -0.70472E-05 -0.17266E-05 2531 0.118E-02 8488 T= 6680. E= 0.69534040E+03 F= 0.64007652E+03 E0= 0.66967785E+03 EK= 0.55264E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331561986762E+03 0.74850E+00 -0.19384E-01 8424 0.250E+01 0.220E-01 RMM: 2 -0.331573878398E+03 -0.11892E-01 -0.81533E-02 5208 0.671E-01 0.907E-01 RMM: 3 -0.331568351006E+03 0.55274E-02 -0.81010E-03 5583 0.185E-01 0.201E-01 RMM: 4 -0.331568145655E+03 0.20535E-03 -0.75762E-04 4646 0.639E-02 0.165E-01 RMM: 5 -0.331568000630E+03 0.14502E-03 -0.35057E-04 4436 0.531E-02 0.127E-01 RMM: 6 -0.331567958158E+03 0.42472E-04 -0.18390E-04 3881 0.361E-02 0.105E-01 RMM: 7 -0.331567983965E+03 -0.25807E-04 -0.88520E-05 3668 0.268E-02 0.124E-01 RMM: 8 -0.331567879633E+03 0.10433E-03 -0.42505E-05 3159 0.199E-02 0.249E-02 RMM: 9 -0.331567877605E+03 0.20283E-05 -0.82187E-06 2469 0.794E-03 8489 T= 7037. E= 0.69876534E+03 F= 0.64054650E+03 E0= 0.67012093E+03 EK= 0.58219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330562469698E+03 0.10054E+01 -0.20410E-01 8412 0.254E+01 0.252E-01 RMM: 2 -0.330571742095E+03 -0.92724E-02 -0.85363E-02 5241 0.674E-01 0.655E-01 RMM: 3 -0.330568784630E+03 0.29575E-02 -0.78139E-03 5871 0.170E-01 0.196E-01 RMM: 4 -0.330568768917E+03 0.15713E-04 -0.93719E-04 4643 0.789E-02 0.263E-01 RMM: 5 -0.330568322385E+03 0.44653E-03 -0.57648E-04 4607 0.658E-02 0.121E-01 RMM: 6 -0.330568419526E+03 -0.97140E-04 -0.26075E-04 3918 0.415E-02 0.172E-01 RMM: 7 -0.330568274991E+03 0.14453E-03 -0.12098E-04 3876 0.339E-02 0.102E-01 RMM: 8 -0.330568206878E+03 0.68112E-04 -0.36708E-05 3091 0.178E-02 0.355E-02 RMM: 9 -0.330568207873E+03 -0.99479E-06 -0.16081E-05 2513 0.115E-02 8490 T= 7131. E= 0.70027643E+03 F= 0.64127999E+03 E0= 0.67082514E+03 EK= 0.58996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329334367783E+03 0.12338E+01 -0.19916E-01 8172 0.251E+01 0.256E-01 RMM: 2 -0.329346836039E+03 -0.12468E-01 -0.86996E-02 5197 0.674E-01 0.922E-01 RMM: 3 -0.329340716300E+03 0.61197E-02 -0.81541E-03 5641 0.186E-01 0.203E-01 RMM: 4 -0.329340761382E+03 -0.45082E-04 -0.10110E-03 4648 0.773E-02 0.255E-01 RMM: 5 -0.329340384536E+03 0.37685E-03 -0.43174E-04 4523 0.564E-02 0.136E-01 RMM: 6 -0.329340323240E+03 0.61296E-04 -0.17333E-04 3880 0.343E-02 0.102E-01 RMM: 7 -0.329340339178E+03 -0.15938E-04 -0.89072E-05 3725 0.271E-02 8491 T= 6918. E= 0.69947249E+03 F= 0.64224320E+03 E0= 0.67175752E+03 EK= 0.57229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327976582210E+03 0.13637E+01 -0.18910E-01 7800 0.245E+01 0.330E-01 RMM: 2 -0.327988197774E+03 -0.11616E-01 -0.91800E-02 5256 0.686E-01 0.899E-01 RMM: 3 -0.327982590100E+03 0.56077E-02 -0.85484E-03 5627 0.194E-01 0.234E-01 RMM: 4 -0.327983290386E+03 -0.70029E-03 -0.16572E-03 4841 0.100E-01 0.425E-01 RMM: 5 -0.327982144530E+03 0.11459E-02 -0.68690E-04 4583 0.686E-02 0.136E-01 RMM: 6 -0.327982102687E+03 0.41843E-04 -0.18478E-04 3878 0.345E-02 0.118E-01 RMM: 7 -0.327982083896E+03 0.18791E-04 -0.10068E-04 3873 0.287E-02 8492 T= 6504. E= 0.69713548E+03 F= 0.64333388E+03 E0= 0.67281994E+03 EK= 0.53802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326624485686E+03 0.13576E+01 -0.18470E-01 7896 0.236E+01 0.330E-01 RMM: 2 -0.326639702376E+03 -0.15217E-01 -0.10253E-01 5180 0.735E-01 0.107E+00 RMM: 3 -0.326631618178E+03 0.80842E-02 -0.10415E-02 5633 0.211E-01 0.253E-01 RMM: 4 -0.326632012412E+03 -0.39423E-03 -0.18213E-03 4936 0.103E-01 0.375E-01 RMM: 5 -0.326631201402E+03 0.81101E-03 -0.57766E-04 4503 0.617E-02 0.171E-01 RMM: 6 -0.326631024392E+03 0.17701E-03 -0.17019E-04 3880 0.345E-02 0.654E-02 RMM: 7 -0.326631092733E+03 -0.68341E-04 -0.80812E-05 3609 0.240E-02 0.125E-01 RMM: 8 -0.326630989988E+03 0.10275E-03 -0.43478E-05 3157 0.204E-02 0.371E-02 RMM: 9 -0.326630983148E+03 0.68399E-05 -0.12915E-05 2496 0.103E-02 8493 T= 6070. E= 0.69462647E+03 F= 0.64441224E+03 E0= 0.67387592E+03 EK= 0.50214E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325421090883E+03 0.12099E+01 -0.17296E-01 7992 0.229E+01 0.320E-01 RMM: 2 -0.325434733828E+03 -0.13643E-01 -0.97255E-02 5207 0.709E-01 0.101E+00 RMM: 3 -0.325427585076E+03 0.71488E-02 -0.95058E-03 5625 0.204E-01 0.189E-01 RMM: 4 -0.325428399187E+03 -0.81411E-03 -0.15212E-03 4834 0.947E-02 0.421E-01 RMM: 5 -0.325427289808E+03 0.11094E-02 -0.53023E-04 4465 0.594E-02 0.120E-01 RMM: 6 -0.325427208905E+03 0.80904E-04 -0.12616E-04 3849 0.288E-02 0.622E-02 RMM: 7 -0.325427240420E+03 -0.31515E-04 -0.57776E-05 3347 0.209E-02 0.977E-02 RMM: 8 -0.325427175438E+03 0.64982E-04 -0.35446E-05 3023 0.189E-02 0.208E-02 RMM: 9 -0.325427176367E+03 -0.92948E-06 -0.84412E-06 2465 0.797E-03 8494 T= 5773. E= 0.69309991E+03 F= 0.64533889E+03 E0= 0.67478805E+03 EK= 0.47761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324482025698E+03 0.94515E+00 -0.16308E-01 7908 0.225E+01 0.334E-01 RMM: 2 -0.324495164708E+03 -0.13139E-01 -0.87372E-02 5242 0.675E-01 0.104E+00 RMM: 3 -0.324487835462E+03 0.73292E-02 -0.89700E-03 5598 0.198E-01 0.251E-01 RMM: 4 -0.324488382470E+03 -0.54701E-03 -0.17961E-03 4852 0.103E-01 0.396E-01 RMM: 5 -0.324487419060E+03 0.96341E-03 -0.59828E-04 4545 0.635E-02 0.159E-01 RMM: 6 -0.324487263664E+03 0.15540E-03 -0.15108E-04 3877 0.317E-02 0.650E-02 RMM: 7 -0.324487320794E+03 -0.57130E-04 -0.81621E-05 3605 0.243E-02 0.119E-01 RMM: 8 -0.324487227054E+03 0.93739E-04 -0.41377E-05 3158 0.199E-02 0.341E-02 RMM: 9 -0.324487222022E+03 0.50322E-05 -0.12253E-05 2483 0.992E-03 8495 T= 5704. E= 0.69318762E+03 F= 0.64600083E+03 E0= 0.67544555E+03 EK= 0.47187E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323888953416E+03 0.59827E+00 -0.16015E-01 7908 0.226E+01 0.312E-01 RMM: 2 -0.323902980925E+03 -0.14028E-01 -0.77347E-02 5295 0.639E-01 0.116E+00 RMM: 3 -0.323893850406E+03 0.91305E-02 -0.80197E-03 5505 0.194E-01 0.181E-01 RMM: 4 -0.323894428440E+03 -0.57803E-03 -0.14855E-03 4708 0.930E-02 0.368E-01 RMM: 5 -0.323893623331E+03 0.80511E-03 -0.50409E-04 4476 0.579E-02 0.142E-01 RMM: 6 -0.323893513826E+03 0.10950E-03 -0.14127E-04 3870 0.307E-02 0.736E-02 RMM: 7 -0.323893550263E+03 -0.36437E-04 -0.76165E-05 3575 0.241E-02 0.109E-01 RMM: 8 -0.323893469022E+03 0.81241E-04 -0.40359E-05 3147 0.200E-02 0.291E-02 RMM: 9 -0.323893466146E+03 0.28764E-05 -0.91301E-06 2473 0.848E-03 8496 T= 5889. E= 0.69503595E+03 F= 0.64632062E+03 E0= 0.67577283E+03 EK= 0.48715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323685421150E+03 0.20805E+00 -0.17257E-01 7716 0.232E+01 0.262E-01 RMM: 2 -0.323697130236E+03 -0.11709E-01 -0.84517E-02 5246 0.660E-01 0.884E-01 RMM: 3 -0.323691612783E+03 0.55175E-02 -0.81095E-03 5630 0.178E-01 0.208E-01 RMM: 4 -0.323691703849E+03 -0.91066E-04 -0.11180E-03 4713 0.817E-02 0.273E-01 RMM: 5 -0.323691294629E+03 0.40922E-03 -0.45029E-04 4487 0.569E-02 0.150E-01 RMM: 6 -0.323691174405E+03 0.12022E-03 -0.15815E-04 3876 0.326E-02 0.784E-02 RMM: 7 -0.323691212436E+03 -0.38031E-04 -0.80220E-05 3602 0.255E-02 0.114E-01 RMM: 8 -0.323691126925E+03 0.85511E-04 -0.36960E-05 3104 0.191E-02 0.293E-02 RMM: 9 -0.323691124091E+03 0.28341E-05 -0.96138E-06 2477 0.874E-03 8497 T= 6293. E= 0.69832055E+03 F= 0.64625733E+03 E0= 0.67572944E+03 EK= 0.52063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323874656319E+03 -0.18353E+00 -0.17943E-01 7956 0.240E+01 0.266E-01 RMM: 2 -0.323888445713E+03 -0.13789E-01 -0.76043E-02 5317 0.658E-01 0.112E+00 RMM: 3 -0.323879981871E+03 0.84638E-02 -0.73622E-03 5499 0.188E-01 0.195E-01 RMM: 4 -0.323879923002E+03 0.58869E-04 -0.99358E-04 4629 0.753E-02 0.212E-01 RMM: 5 -0.323879704531E+03 0.21847E-03 -0.42261E-04 4519 0.561E-02 0.150E-01 RMM: 6 -0.323879625304E+03 0.79226E-04 -0.18387E-04 3872 0.356E-02 0.107E-01 RMM: 7 -0.323879626980E+03 -0.16758E-05 -0.10086E-04 3771 0.293E-02 8498 T= 6806. E= 0.70211410E+03 F= 0.64581343E+03 E0= 0.67531794E+03 EK= 0.56301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324401533078E+03 -0.52191E+00 -0.19214E-01 7860 0.249E+01 0.246E-01 RMM: 2 -0.324411722111E+03 -0.10189E-01 -0.83487E-02 5295 0.688E-01 0.766E-01 RMM: 3 -0.324407982975E+03 0.37391E-02 -0.77849E-03 5737 0.173E-01 0.217E-01 RMM: 4 -0.324407775505E+03 0.20747E-03 -0.75873E-04 4621 0.673E-02 0.203E-01 RMM: 5 -0.324407464896E+03 0.31061E-03 -0.59149E-04 4607 0.691E-02 0.101E-01 RMM: 6 -0.324407661985E+03 -0.19709E-03 -0.24240E-04 3896 0.397E-02 0.200E-01 RMM: 7 -0.324407437175E+03 0.22481E-03 -0.11861E-04 3852 0.332E-02 0.944E-02 RMM: 8 -0.324407381721E+03 0.55454E-04 -0.37223E-05 3103 0.176E-02 0.351E-02 RMM: 9 -0.324407383374E+03 -0.16524E-05 -0.20565E-05 2536 0.132E-02 8499 T= 7232. E= 0.70487055E+03 F= 0.64503912E+03 E0= 0.67458692E+03 EK= 0.59831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325174049159E+03 -0.76667E+00 -0.20222E-01 7992 0.253E+01 0.247E-01 RMM: 2 -0.325188011562E+03 -0.13962E-01 -0.93502E-02 5202 0.757E-01 0.103E+00 RMM: 3 -0.325181206591E+03 0.68050E-02 -0.95854E-03 5597 0.205E-01 0.214E-01 RMM: 4 -0.325180882926E+03 0.32367E-03 -0.86685E-04 4646 0.681E-02 0.145E-01 RMM: 5 -0.325180793493E+03 0.89432E-04 -0.33531E-04 4368 0.521E-02 0.133E-01 RMM: 6 -0.325180730982E+03 0.62511E-04 -0.16304E-04 3871 0.344E-02 0.958E-02 RMM: 7 -0.325180773974E+03 -0.42991E-04 -0.77147E-05 3573 0.246E-02 0.128E-01 RMM: 8 -0.325180663244E+03 0.11073E-03 -0.44534E-05 3201 0.206E-02 0.240E-02 RMM: 9 -0.325180661557E+03 0.16870E-05 -0.90275E-06 2471 0.849E-03 8500 T= 7372. E= 0.70500736E+03 F= 0.64402382E+03 E0= 0.67362134E+03 EK= 0.60984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326087388795E+03 -0.90673E+00 -0.19652E-01 7536 0.253E+01 0.249E-01 RMM: 2 -0.326096538437E+03 -0.91496E-02 -0.80494E-02 5229 0.674E-01 0.687E-01 RMM: 3 -0.326093364865E+03 0.31736E-02 -0.73435E-03 5721 0.166E-01 0.191E-01 RMM: 4 -0.326093435464E+03 -0.70599E-04 -0.97412E-04 4705 0.806E-02 0.268E-01 RMM: 5 -0.326092964299E+03 0.47117E-03 -0.52988E-04 4579 0.626E-02 0.108E-01 RMM: 6 -0.326093019198E+03 -0.54899E-04 -0.23542E-04 3887 0.396E-02 0.145E-01 RMM: 7 -0.326092914236E+03 0.10496E-03 -0.97523E-05 3689 0.304E-02 0.829E-02 RMM: 8 -0.326092870921E+03 0.43315E-04 -0.22881E-05 2746 0.146E-02 0.302E-02 RMM: 9 -0.326092871568E+03 -0.64671E-06 -0.12836E-05 2479 0.103E-02 8501 T= 7146. E= 0.70198786E+03 F= 0.64286814E+03 E0= 0.67251772E+03 EK= 0.59120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327053112385E+03 -0.96024E+00 -0.18944E-01 7560 0.246E+01 0.257E-01 RMM: 2 -0.327062102795E+03 -0.89904E-02 -0.74438E-02 5156 0.665E-01 0.750E-01 RMM: 3 -0.327058412705E+03 0.36901E-02 -0.73518E-03 5643 0.175E-01 0.180E-01 RMM: 4 -0.327058599402E+03 -0.18670E-03 -0.92878E-04 4666 0.758E-02 0.279E-01 RMM: 5 -0.327058120512E+03 0.47889E-03 -0.40185E-04 4412 0.543E-02 0.122E-01 RMM: 6 -0.327058073872E+03 0.46641E-04 -0.14817E-04 3877 0.323E-02 0.936E-02 RMM: 7 -0.327058093758E+03 -0.19886E-04 -0.68181E-05 3509 0.238E-02 8502 T= 6666. E= 0.69679925E+03 F= 0.64165221E+03 E0= 0.67135125E+03 EK= 0.55147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328024227519E+03 -0.96615E+00 -0.17840E-01 7320 0.238E+01 0.310E-01 RMM: 2 -0.328031280449E+03 -0.70529E-02 -0.70628E-02 5217 0.632E-01 0.628E-01 RMM: 3 -0.328028830879E+03 0.24496E-02 -0.67195E-03 5493 0.169E-01 0.250E-01 RMM: 4 -0.328029481860E+03 -0.65098E-03 -0.12329E-03 4732 0.877E-02 0.421E-01 RMM: 5 -0.328028304851E+03 0.11770E-02 -0.58357E-04 4539 0.632E-02 0.103E-01 RMM: 6 -0.328028318642E+03 -0.13791E-04 -0.16885E-04 3875 0.333E-02 8503 T= 6139. E= 0.69120336E+03 F= 0.64042024E+03 E0= 0.67016317E+03 EK= 0.50783E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328990739402E+03 -0.96243E+00 -0.16511E-01 7260 0.229E+01 0.376E-01 RMM: 2 -0.329011612713E+03 -0.20873E-01 -0.64692E-02 5259 0.622E-01 0.163E+00 RMM: 3 -0.328994327771E+03 0.17285E-01 -0.99246E-03 5340 0.242E-01 0.307E-01 RMM: 4 -0.328994237080E+03 0.90691E-04 -0.18465E-03 4792 0.977E-02 0.306E-01 RMM: 5 -0.328993821457E+03 0.41562E-03 -0.53102E-04 4567 0.604E-02 0.203E-01 RMM: 6 -0.328993574894E+03 0.24656E-03 -0.19171E-04 3880 0.369E-02 0.773E-02 RMM: 7 -0.328993617974E+03 -0.43080E-04 -0.10105E-04 3727 0.271E-02 0.114E-01 RMM: 8 -0.328993532611E+03 0.85362E-04 -0.47850E-05 3249 0.214E-02 0.455E-02 RMM: 9 -0.328993520926E+03 0.11685E-04 -0.13426E-05 2510 0.108E-02 8504 T= 5741. E= 0.68667608E+03 F= 0.63918172E+03 E0= 0.66896003E+03 EK= 0.47494E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329960852541E+03 -0.96732E+00 -0.15689E-01 7200 0.224E+01 0.381E-01 RMM: 2 -0.329982841767E+03 -0.21989E-01 -0.60779E-02 5258 0.601E-01 0.169E+00 RMM: 3 -0.329964000705E+03 0.18841E-01 -0.10495E-02 5346 0.252E-01 0.355E-01 RMM: 4 -0.329963615079E+03 0.38563E-03 -0.20399E-03 4914 0.106E-01 0.277E-01 RMM: 5 -0.329963428378E+03 0.18670E-03 -0.49029E-04 4562 0.584E-02 0.243E-01 RMM: 6 -0.329963037603E+03 0.39077E-03 -0.18739E-04 3880 0.371E-02 0.578E-02 RMM: 7 -0.329963084861E+03 -0.47258E-04 -0.84810E-05 3606 0.246E-02 0.107E-01 RMM: 8 -0.329963014850E+03 0.70010E-04 -0.36861E-05 3091 0.191E-02 0.390E-02 RMM: 9 -0.329963006208E+03 0.86425E-05 -0.10961E-05 2483 0.983E-03 8505 T= 5569. E= 0.68400456E+03 F= 0.63793025E+03 E0= 0.66773575E+03 EK= 0.46074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330941216577E+03 -0.97820E+00 -0.15358E-01 7668 0.224E+01 0.331E-01 RMM: 2 -0.330955657580E+03 -0.14441E-01 -0.55953E-02 5267 0.567E-01 0.132E+00 RMM: 3 -0.330944282136E+03 0.11375E-01 -0.71996E-03 5393 0.199E-01 0.256E-01 RMM: 4 -0.330944480952E+03 -0.19882E-03 -0.15653E-03 4690 0.940E-02 0.325E-01 RMM: 5 -0.330943943557E+03 0.53739E-03 -0.52073E-04 4538 0.602E-02 0.192E-01 RMM: 6 -0.330943729067E+03 0.21449E-03 -0.17302E-04 3880 0.344E-02 0.781E-02 RMM: 7 -0.330943766817E+03 -0.37751E-04 -0.10554E-04 3789 0.284E-02 0.115E-01 RMM: 8 -0.330943681709E+03 0.85109E-04 -0.48846E-05 3271 0.214E-02 0.385E-02 RMM: 9 -0.330943675572E+03 0.61370E-05 -0.11623E-05 2495 0.974E-03 8506 T= 5651. E= 0.68341643E+03 F= 0.63666432E+03 E0= 0.66648763E+03 EK= 0.46752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331921016108E+03 -0.97733E+00 -0.15694E-01 7920 0.227E+01 0.298E-01 RMM: 2 -0.331934836881E+03 -0.13821E-01 -0.57889E-02 5258 0.566E-01 0.125E+00 RMM: 3 -0.331924521393E+03 0.10315E-01 -0.69703E-03 5380 0.192E-01 0.239E-01 RMM: 4 -0.331924551981E+03 -0.30588E-04 -0.12209E-03 4639 0.821E-02 0.269E-01 RMM: 5 -0.331924233142E+03 0.31884E-03 -0.49400E-04 4589 0.602E-02 0.188E-01 RMM: 6 -0.331924029133E+03 0.20401E-03 -0.20362E-04 3886 0.373E-02 0.849E-02 RMM: 7 -0.331924092339E+03 -0.63207E-04 -0.12038E-04 3841 0.298E-02 0.132E-01 RMM: 8 -0.331923977558E+03 0.11478E-03 -0.57841E-05 3385 0.231E-02 0.369E-02 RMM: 9 -0.331923970829E+03 0.67296E-05 -0.10687E-05 2493 0.952E-03 8507 T= 5963. E= 0.68473209E+03 F= 0.63540144E+03 E0= 0.66523230E+03 EK= 0.49331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332859869430E+03 -0.93589E+00 -0.16949E-01 8004 0.234E+01 0.250E-01 RMM: 2 -0.332870786431E+03 -0.10917E-01 -0.73412E-02 5181 0.620E-01 0.907E-01 RMM: 3 -0.332865309329E+03 0.54771E-02 -0.74185E-03 5503 0.175E-01 0.208E-01 RMM: 4 -0.332865252762E+03 0.56567E-04 -0.10196E-03 4662 0.779E-02 0.232E-01 RMM: 5 -0.332864950959E+03 0.30180E-03 -0.47861E-04 4546 0.602E-02 0.145E-01 RMM: 6 -0.332864902480E+03 0.48479E-04 -0.18294E-04 3884 0.348E-02 0.121E-01 RMM: 7 -0.332864871882E+03 0.30598E-04 -0.10518E-04 3837 0.296E-02 0.105E-01 RMM: 8 -0.332864798192E+03 0.73689E-04 -0.43531E-05 3215 0.199E-02 0.336E-02 RMM: 9 -0.332864794957E+03 0.32357E-05 -0.10296E-05 2487 0.904E-03 8508 T= 6424. E= 0.68732577E+03 F= 0.63418502E+03 E0= 0.66401200E+03 EK= 0.53141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333689018744E+03 -0.82422E+00 -0.18986E-01 8472 0.242E+01 0.250E-01 RMM: 2 -0.333701948804E+03 -0.12930E-01 -0.86438E-02 5203 0.670E-01 0.975E-01 RMM: 3 -0.333695572572E+03 0.63762E-02 -0.87473E-03 5549 0.192E-01 0.226E-01 RMM: 4 -0.333695319895E+03 0.25268E-03 -0.89565E-04 4653 0.688E-02 0.181E-01 RMM: 5 -0.333695130577E+03 0.18932E-03 -0.43745E-04 4569 0.590E-02 0.139E-01 RMM: 6 -0.333695097322E+03 0.33255E-04 -0.20578E-04 3884 0.368E-02 0.129E-01 RMM: 7 -0.333695112769E+03 -0.15447E-04 -0.12943E-04 3876 0.317E-02 8509 T= 6883. E= 0.69003054E+03 F= 0.63308741E+03 E0= 0.66289873E+03 EK= 0.56943E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334322588521E+03 -0.62749E+00 -0.20420E-01 8640 0.248E+01 0.275E-01 RMM: 2 -0.334334818498E+03 -0.12230E-01 -0.95817E-02 5282 0.689E-01 0.862E-01 RMM: 3 -0.334329590965E+03 0.52275E-02 -0.86557E-03 5635 0.189E-01 0.221E-01 RMM: 4 -0.334329475171E+03 0.11579E-03 -0.97200E-04 4646 0.746E-02 0.246E-01 RMM: 5 -0.334329109353E+03 0.36582E-03 -0.65400E-04 4601 0.712E-02 0.153E-01 RMM: 6 -0.334329160256E+03 -0.50903E-04 -0.32975E-04 3964 0.464E-02 0.179E-01 RMM: 7 -0.334329055221E+03 0.10503E-03 -0.15496E-04 3884 0.376E-02 0.134E-01 RMM: 8 -0.334328942734E+03 0.11249E-03 -0.54179E-05 3339 0.214E-02 0.436E-02 RMM: 9 -0.334328940710E+03 0.20237E-05 -0.22407E-05 2610 0.135E-02 8510 T= 7154. E= 0.69137419E+03 F= 0.63219253E+03 E0= 0.66197680E+03 EK= 0.59182E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334690467324E+03 -0.36152E+00 -0.21722E-01 8616 0.249E+01 0.220E-01 RMM: 2 -0.334704813745E+03 -0.14346E-01 -0.11203E-01 5286 0.715E-01 0.851E-01 RMM: 3 -0.334699110015E+03 0.57037E-02 -0.90742E-03 5635 0.188E-01 0.192E-01 RMM: 4 -0.334698931627E+03 0.17839E-03 -0.84385E-04 4716 0.681E-02 0.180E-01 RMM: 5 -0.334698748046E+03 0.18358E-03 -0.31275E-04 4082 0.490E-02 0.123E-01 RMM: 6 -0.334698708444E+03 0.39602E-04 -0.16289E-04 3879 0.343E-02 0.104E-01 RMM: 7 -0.334698741390E+03 -0.32946E-04 -0.90004E-05 3683 0.261E-02 0.127E-01 RMM: 8 -0.334698633947E+03 0.10744E-03 -0.46939E-05 3244 0.211E-02 0.310E-02 RMM: 9 -0.334698629602E+03 0.43446E-05 -0.92182E-06 2480 0.863E-03 8511 T= 7107. E= 0.69035763E+03 F= 0.63156360E+03 E0= 0.66131231E+03 EK= 0.58794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334774949737E+03 -0.76316E-01 -0.22254E-01 8724 0.245E+01 0.304E-01 RMM: 2 -0.334789982844E+03 -0.15033E-01 -0.11656E-01 5331 0.710E-01 0.936E-01 RMM: 3 -0.334783154796E+03 0.68280E-02 -0.93248E-03 5538 0.198E-01 0.239E-01 RMM: 4 -0.334783236282E+03 -0.81486E-04 -0.14557E-03 4759 0.933E-02 0.302E-01 RMM: 5 -0.334782734360E+03 0.50192E-03 -0.58576E-04 4592 0.634E-02 0.178E-01 RMM: 6 -0.334782594275E+03 0.14009E-03 -0.23166E-04 3905 0.394E-02 0.112E-01 RMM: 7 -0.334782661871E+03 -0.67596E-04 -0.13576E-04 3883 0.317E-02 0.154E-01 RMM: 8 -0.334782506035E+03 0.15584E-03 -0.76133E-05 3580 0.258E-02 0.430E-02 RMM: 9 -0.334782498345E+03 0.76907E-05 -0.14905E-05 2531 0.112E-02 8512 T= 6767. E= 0.68719647E+03 F= 0.63121714E+03 E0= 0.66092604E+03 EK= 0.55979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334606348554E+03 0.17616E+00 -0.22929E-01 8628 0.238E+01 0.313E-01 RMM: 2 -0.334625203084E+03 -0.18855E-01 -0.12443E-01 5334 0.719E-01 0.114E+00 RMM: 3 -0.334615024337E+03 0.10179E-01 -0.96920E-03 5438 0.211E-01 0.234E-01 RMM: 4 -0.334615266782E+03 -0.24245E-03 -0.15943E-03 4768 0.955E-02 0.323E-01 RMM: 5 -0.334614682558E+03 0.58422E-03 -0.49553E-04 4469 0.577E-02 0.170E-01 RMM: 6 -0.334614521056E+03 0.16150E-03 -0.17230E-04 3897 0.342E-02 0.833E-02 RMM: 7 -0.334614586553E+03 -0.65497E-04 -0.10671E-04 3836 0.275E-02 0.131E-01 RMM: 8 -0.334614473817E+03 0.11274E-03 -0.55980E-05 3374 0.226E-02 0.409E-02 RMM: 9 -0.334614465334E+03 0.84833E-05 -0.11573E-05 2505 0.987E-03 8513 T= 6291. E= 0.68315701E+03 F= 0.63111529E+03 E0= 0.66078374E+03 EK= 0.52042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334251448079E+03 0.36303E+00 -0.24465E-01 8760 0.230E+01 0.344E-01 RMM: 2 -0.334270634209E+03 -0.19186E-01 -0.13837E-01 5424 0.753E-01 0.109E+00 RMM: 3 -0.334261316562E+03 0.93176E-02 -0.10625E-02 5430 0.219E-01 0.273E-01 RMM: 4 -0.334261569069E+03 -0.25251E-03 -0.19462E-03 4869 0.106E-01 0.356E-01 RMM: 5 -0.334260937804E+03 0.63127E-03 -0.58444E-04 4539 0.622E-02 0.214E-01 RMM: 6 -0.334260643870E+03 0.29393E-03 -0.19195E-04 3895 0.362E-02 0.677E-02 RMM: 7 -0.334260728440E+03 -0.84570E-04 -0.11557E-04 3846 0.280E-02 0.137E-01 RMM: 8 -0.334260607392E+03 0.12105E-03 -0.59867E-05 3410 0.231E-02 0.375E-02 RMM: 9 -0.334260601432E+03 0.59595E-05 -0.13838E-05 2516 0.108E-02 8514 T= 5862. E= 0.67968700E+03 F= 0.63119080E+03 E0= 0.66082088E+03 EK= 0.48496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333772769156E+03 0.48784E+00 -0.25380E-01 8748 0.224E+01 0.342E-01 RMM: 2 -0.333792875711E+03 -0.20107E-01 -0.13885E-01 5495 0.731E-01 0.116E+00 RMM: 3 -0.333782508006E+03 0.10368E-01 -0.99390E-03 5407 0.215E-01 0.274E-01 RMM: 4 -0.333782874611E+03 -0.36661E-03 -0.19757E-03 4837 0.105E-01 0.374E-01 RMM: 5 -0.333782032648E+03 0.84196E-03 -0.61423E-04 4549 0.644E-02 0.159E-01 RMM: 6 -0.333781885494E+03 0.14715E-03 -0.14615E-04 3891 0.310E-02 0.744E-02 RMM: 7 -0.333781944653E+03 -0.59159E-04 -0.10249E-04 3766 0.267E-02 0.124E-01 RMM: 8 -0.333781846937E+03 0.97715E-04 -0.52931E-05 3318 0.219E-02 0.409E-02 RMM: 9 -0.333781838537E+03 0.84005E-05 -0.11348E-05 2498 0.962E-03 8515 T= 5608. E= 0.67777989E+03 F= 0.63138494E+03 E0= 0.66097975E+03 EK= 0.46395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333200140102E+03 0.58171E+00 -0.27297E-01 8868 0.222E+01 0.333E-01 RMM: 2 -0.333220182936E+03 -0.20043E-01 -0.14418E-01 5588 0.733E-01 0.111E+00 RMM: 3 -0.333210687347E+03 0.94956E-02 -0.10095E-02 5448 0.209E-01 0.271E-01 RMM: 4 -0.333210848996E+03 -0.16165E-03 -0.18313E-03 4797 0.102E-01 0.335E-01 RMM: 5 -0.333210281354E+03 0.56764E-03 -0.55876E-04 4494 0.605E-02 0.200E-01 RMM: 6 -0.333210033281E+03 0.24807E-03 -0.18167E-04 3892 0.354E-02 0.692E-02 RMM: 7 -0.333210113762E+03 -0.80481E-04 -0.11247E-04 3820 0.279E-02 0.133E-01 RMM: 8 -0.333209998454E+03 0.11531E-03 -0.56889E-05 3358 0.227E-02 0.414E-02 RMM: 9 -0.333209989445E+03 0.90087E-05 -0.11688E-05 2500 0.986E-03 8516 T= 5587. E= 0.67789073E+03 F= 0.63167089E+03 E0= 0.66123345E+03 EK= 0.46220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332530496123E+03 0.67950E+00 -0.30952E-01 8844 0.225E+01 0.301E-01 RMM: 2 -0.332549922802E+03 -0.19427E-01 -0.15728E-01 5739 0.754E-01 0.940E-01 RMM: 3 -0.332542394816E+03 0.75280E-02 -0.96161E-03 5461 0.203E-01 0.249E-01 RMM: 4 -0.332542560778E+03 -0.16596E-03 -0.15159E-03 4730 0.910E-02 0.317E-01 RMM: 5 -0.332541976501E+03 0.58428E-03 -0.51029E-04 4441 0.587E-02 0.153E-01 RMM: 6 -0.332541852281E+03 0.12422E-03 -0.14991E-04 3891 0.318E-02 0.824E-02 RMM: 7 -0.332541895244E+03 -0.42963E-04 -0.92671E-05 3741 0.263E-02 0.119E-01 RMM: 8 -0.332541801590E+03 0.93654E-04 -0.43572E-05 3204 0.203E-02 0.324E-02 RMM: 9 -0.332541798715E+03 0.28747E-05 -0.10902E-05 2488 0.933E-03 8517 T= 5803. E= 0.68006303E+03 F= 0.63205803E+03 E0= 0.66159020E+03 EK= 0.48005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331730720988E+03 0.81108E+00 -0.35724E-01 8940 0.232E+01 0.296E-01 RMM: 2 -0.331752597173E+03 -0.21876E-01 -0.16290E-01 5862 0.770E-01 0.109E+00 RMM: 3 -0.331743172218E+03 0.94250E-02 -0.89684E-03 5552 0.199E-01 0.233E-01 RMM: 4 -0.331743137088E+03 0.35130E-04 -0.13276E-03 4651 0.839E-02 0.260E-01 RMM: 5 -0.331742828588E+03 0.30850E-03 -0.48742E-04 4477 0.584E-02 0.175E-01 RMM: 6 -0.331742665006E+03 0.16358E-03 -0.18466E-04 3879 0.354E-02 0.848E-02 RMM: 7 -0.331742731468E+03 -0.66462E-04 -0.10934E-04 3838 0.285E-02 0.133E-01 RMM: 8 -0.331742614240E+03 0.11723E-03 -0.54494E-05 3353 0.224E-02 0.374E-02 RMM: 9 -0.331742608965E+03 0.52755E-05 -0.11834E-05 2499 0.984E-03 8518 T= 6208. E= 0.68394356E+03 F= 0.63258617E+03 E0= 0.66208825E+03 EK= 0.51357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330752614723E+03 0.99000E+00 -0.41220E-01 8880 0.241E+01 0.282E-01 RMM: 2 -0.330776184038E+03 -0.23569E-01 -0.18146E-01 5816 0.835E-01 0.107E+00 RMM: 3 -0.330766893169E+03 0.92909E-02 -0.10295E-02 5580 0.209E-01 0.214E-01 RMM: 4 -0.330766882846E+03 0.10323E-04 -0.12858E-03 4684 0.822E-02 0.254E-01 RMM: 5 -0.330766529858E+03 0.35299E-03 -0.47570E-04 4511 0.582E-02 0.148E-01 RMM: 6 -0.330766452345E+03 0.77514E-04 -0.19119E-04 3888 0.350E-02 0.110E-01 RMM: 7 -0.330766466650E+03 -0.14305E-04 -0.10397E-04 3828 0.289E-02 8519 T= 6690. E= 0.68865007E+03 F= 0.63330376E+03 E0= 0.66277431E+03 EK= 0.55346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329580605703E+03 0.11858E+01 -0.44737E-01 8844 0.249E+01 0.302E-01 RMM: 2 -0.329604707442E+03 -0.24102E-01 -0.18948E-01 5758 0.880E-01 0.108E+00 RMM: 3 -0.329595731181E+03 0.89763E-02 -0.11486E-02 5701 0.218E-01 0.267E-01 RMM: 4 -0.329595468325E+03 0.26286E-03 -0.13724E-03 4666 0.857E-02 0.243E-01 RMM: 5 -0.329595128786E+03 0.33954E-03 -0.57689E-04 4579 0.640E-02 0.145E-01 RMM: 6 -0.329595126503E+03 0.22832E-05 -0.23521E-04 3900 0.395E-02 0.146E-01 RMM: 7 -0.329595091864E+03 0.34639E-04 -0.14246E-04 3882 0.340E-02 0.134E-01 RMM: 8 -0.329594975860E+03 0.11600E-03 -0.72717E-05 3513 0.247E-02 0.387E-02 RMM: 9 -0.329594980416E+03 -0.45565E-05 -0.19227E-05 2565 0.125E-02 8520 T= 7077. E= 0.69277613E+03 F= 0.63422841E+03 E0= 0.66366525E+03 EK= 0.58548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328264849976E+03 0.13301E+01 -0.46161E-01 8772 0.252E+01 0.300E-01 RMM: 2 -0.328293811341E+03 -0.28961E-01 -0.20381E-01 5467 0.947E-01 0.127E+00 RMM: 3 -0.328281300902E+03 0.12510E-01 -0.15217E-02 5582 0.258E-01 0.222E-01 RMM: 4 -0.328281160758E+03 0.14014E-03 -0.15512E-03 4839 0.873E-02 0.232E-01 RMM: 5 -0.328280910295E+03 0.25046E-03 -0.42078E-04 4412 0.529E-02 0.155E-01 RMM: 6 -0.328280781259E+03 0.12904E-03 -0.17161E-04 3874 0.342E-02 0.784E-02 RMM: 7 -0.328280852862E+03 -0.71603E-04 -0.92590E-05 3703 0.255E-02 0.131E-01 RMM: 8 -0.328280740235E+03 0.11263E-03 -0.50805E-05 3300 0.219E-02 0.317E-02 RMM: 9 -0.328280739177E+03 0.10575E-05 -0.11886E-05 2497 0.982E-03 8521 T= 7204. E= 0.69490291E+03 F= 0.63530402E+03 E0= 0.66470482E+03 EK= 0.59599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326939953418E+03 0.13408E+01 -0.41900E-01 8784 0.250E+01 0.306E-01 RMM: 2 -0.326963087040E+03 -0.23134E-01 -0.19046E-01 5602 0.927E-01 0.100E+00 RMM: 3 -0.326955072767E+03 0.80143E-02 -0.13034E-02 5628 0.236E-01 0.249E-01 RMM: 4 -0.326955121221E+03 -0.48454E-04 -0.15946E-03 4899 0.939E-02 0.305E-01 RMM: 5 -0.326954597772E+03 0.52345E-03 -0.51294E-04 4518 0.574E-02 0.159E-01 RMM: 6 -0.326954478364E+03 0.11941E-03 -0.20122E-04 3882 0.368E-02 0.973E-02 RMM: 7 -0.326954549818E+03 -0.71454E-04 -0.11039E-04 3875 0.284E-02 0.144E-01 RMM: 8 -0.326954407962E+03 0.14186E-03 -0.56751E-05 3392 0.221E-02 0.344E-02 RMM: 9 -0.326954406602E+03 0.13602E-05 -0.16203E-05 2517 0.115E-02 8522 T= 7021. E= 0.69447509E+03 F= 0.63639510E+03 E0= 0.66575892E+03 EK= 0.58080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325771936119E+03 0.11825E+01 -0.33321E-01 8712 0.244E+01 0.324E-01 RMM: 2 -0.325797114840E+03 -0.25179E-01 -0.17376E-01 5293 0.903E-01 0.123E+00 RMM: 3 -0.325785363218E+03 0.11752E-01 -0.14739E-02 5491 0.260E-01 0.233E-01 RMM: 4 -0.325785575483E+03 -0.21226E-03 -0.18036E-03 5053 0.989E-02 0.316E-01 RMM: 5 -0.325785005494E+03 0.56999E-03 -0.45699E-04 4254 0.527E-02 0.162E-01 RMM: 6 -0.325784852321E+03 0.15317E-03 -0.14435E-04 3879 0.319E-02 0.732E-02 RMM: 7 -0.325784919554E+03 -0.67233E-04 -0.11623E-04 3877 0.280E-02 0.128E-01 RMM: 8 -0.325784808821E+03 0.11073E-03 -0.61662E-05 3414 0.232E-02 0.371E-02 RMM: 9 -0.325784803065E+03 0.57554E-05 -0.13317E-05 2505 0.104E-02 8523 T= 6629. E= 0.69216814E+03 F= 0.63732835E+03 E0= 0.66665568E+03 EK= 0.54840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324894011667E+03 0.89080E+00 -0.24830E-01 8640 0.237E+01 0.306E-01 RMM: 2 -0.324912477052E+03 -0.18465E-01 -0.14707E-01 5368 0.828E-01 0.976E-01 RMM: 3 -0.324905092727E+03 0.73843E-02 -0.11572E-02 5556 0.226E-01 0.224E-01 RMM: 4 -0.324905514463E+03 -0.42174E-03 -0.15444E-03 4904 0.933E-02 0.360E-01 RMM: 5 -0.324904739251E+03 0.77521E-03 -0.48112E-04 4481 0.559E-02 0.152E-01 RMM: 6 -0.324904608213E+03 0.13104E-03 -0.16524E-04 3886 0.336E-02 0.779E-02 RMM: 7 -0.324904675321E+03 -0.67108E-04 -0.10331E-04 3868 0.271E-02 0.128E-01 RMM: 8 -0.324904561925E+03 0.11340E-03 -0.58122E-05 3382 0.220E-02 0.410E-02 RMM: 9 -0.324904553208E+03 0.87168E-05 -0.15017E-05 2517 0.112E-02 8524 T= 6207. E= 0.68932094E+03 F= 0.63796847E+03 E0= 0.66726116E+03 EK= 0.51352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324356461196E+03 0.54810E+00 -0.19570E-01 8172 0.232E+01 0.293E-01 RMM: 2 -0.324372733162E+03 -0.16272E-01 -0.12522E-01 5163 0.779E-01 0.952E-01 RMM: 3 -0.324365921728E+03 0.68114E-02 -0.10875E-02 5565 0.219E-01 0.210E-01 RMM: 4 -0.324366320615E+03 -0.39889E-03 -0.14088E-03 4896 0.903E-02 0.339E-01 RMM: 5 -0.324365597622E+03 0.72299E-03 -0.43839E-04 4355 0.533E-02 0.133E-01 RMM: 6 -0.324365506774E+03 0.90849E-04 -0.12545E-04 3862 0.295E-02 0.770E-02 RMM: 7 -0.324365543854E+03 -0.37080E-04 -0.88247E-05 3724 0.252E-02 0.114E-01 RMM: 8 -0.324365457151E+03 0.86703E-04 -0.45205E-05 3201 0.207E-02 0.293E-02 RMM: 9 -0.324365456792E+03 0.35957E-06 -0.11871E-05 2495 0.961E-03 8525 T= 5906. E= 0.68712539E+03 F= 0.63826352E+03 E0= 0.66752389E+03 EK= 0.48862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324134834287E+03 0.23062E+00 -0.17562E-01 7980 0.230E+01 0.305E-01 RMM: 2 -0.324151936600E+03 -0.17102E-01 -0.10931E-01 5151 0.746E-01 0.113E+00 RMM: 3 -0.324142743981E+03 0.91926E-02 -0.10663E-02 5560 0.221E-01 0.222E-01 RMM: 4 -0.324142841987E+03 -0.98005E-04 -0.13314E-03 4758 0.853E-02 0.282E-01 RMM: 5 -0.324142438046E+03 0.40394E-03 -0.40226E-04 4394 0.522E-02 0.169E-01 RMM: 6 -0.324142276045E+03 0.16200E-03 -0.17052E-04 3885 0.346E-02 0.766E-02 RMM: 7 -0.324142341488E+03 -0.65443E-04 -0.10212E-04 3843 0.275E-02 0.127E-01 RMM: 8 -0.324142232964E+03 0.10852E-03 -0.53593E-05 3340 0.220E-02 0.389E-02 RMM: 9 -0.324142226128E+03 0.68365E-05 -0.13385E-05 2505 0.106E-02 8526 T= 5805. E= 0.68626419E+03 F= 0.63824100E+03 E0= 0.66747173E+03 EK= 0.48023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324146312375E+03 -0.40794E-02 -0.17639E-01 8232 0.232E+01 0.278E-01 RMM: 2 -0.324162455057E+03 -0.16143E-01 -0.11519E-01 5090 0.763E-01 0.101E+00 RMM: 3 -0.324155124349E+03 0.73307E-02 -0.11179E-02 5659 0.214E-01 0.228E-01 RMM: 4 -0.324155049685E+03 0.74664E-04 -0.11468E-03 4737 0.801E-02 0.247E-01 RMM: 5 -0.324154652521E+03 0.39716E-03 -0.40205E-04 4438 0.529E-02 0.119E-01 RMM: 6 -0.324154640386E+03 0.12135E-04 -0.17914E-04 3882 0.353E-02 8527 T= 5917. E= 0.68693318E+03 F= 0.63798472E+03 E0= 0.66718841E+03 EK= 0.48948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324279131103E+03 -0.12448E+00 -0.18504E-01 8472 0.236E+01 0.464E-01 RMM: 2 -0.324332261371E+03 -0.53130E-01 -0.13075E-01 5194 0.849E-01 0.254E+00 RMM: 3 -0.324288031953E+03 0.44229E-01 -0.22352E-02 5359 0.367E-01 0.414E-01 RMM: 4 -0.324286956167E+03 0.10758E-02 -0.26123E-03 5218 0.103E-01 0.183E-01 RMM: 5 -0.324286902802E+03 0.53365E-04 -0.56550E-04 4552 0.602E-02 0.212E-01 RMM: 6 -0.324286669141E+03 0.23366E-03 -0.33518E-04 3956 0.493E-02 0.126E-01 RMM: 7 -0.324286753305E+03 -0.84164E-04 -0.24216E-04 3907 0.418E-02 0.171E-01 RMM: 8 -0.324286590668E+03 0.16264E-03 -0.13417E-04 3890 0.333E-02 0.839E-02 RMM: 9 -0.324286550507E+03 0.40162E-04 -0.27592E-05 2856 0.155E-02 0.397E-02 RMM: 10 -0.324286555768E+03 -0.52614E-05 -0.23036E-05 2555 0.136E-02 8528 T= 6200. E= 0.68890649E+03 F= 0.63761429E+03 E0= 0.66679467E+03 EK= 0.51292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324389330766E+03 -0.10278E+00 -0.20096E-01 8424 0.243E+01 0.396E-01 RMM: 2 -0.324434579171E+03 -0.45248E-01 -0.15711E-01 5075 0.901E-01 0.220E+00 RMM: 3 -0.324401393321E+03 0.33186E-01 -0.20825E-02 5394 0.338E-01 0.431E-01 RMM: 4 -0.324400094646E+03 0.12987E-02 -0.26881E-03 5207 0.112E-01 0.155E-01 RMM: 5 -0.324400061109E+03 0.33537E-04 -0.47642E-04 4466 0.560E-02 0.173E-01 RMM: 6 -0.324399867567E+03 0.19354E-03 -0.16477E-04 3886 0.337E-02 0.766E-02 RMM: 7 -0.324399943379E+03 -0.75812E-04 -0.13030E-04 3887 0.296E-02 0.136E-01 RMM: 8 -0.324399832201E+03 0.11118E-03 -0.67522E-05 3490 0.242E-02 0.549E-02 RMM: 9 -0.324399812844E+03 0.19357E-04 -0.15960E-05 2539 0.116E-02 8529 T= 6559. E= 0.69153033E+03 F= 0.63726985E+03 E0= 0.66643040E+03 EK= 0.54260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324344488107E+03 0.55344E-01 -0.21569E-01 8772 0.249E+01 0.263E-01 RMM: 2 -0.324364992887E+03 -0.20505E-01 -0.14851E-01 5246 0.849E-01 0.107E+00 RMM: 3 -0.324356458026E+03 0.85349E-02 -0.13484E-02 5733 0.229E-01 0.236E-01 RMM: 4 -0.324356075191E+03 0.38283E-03 -0.10050E-03 4707 0.721E-02 0.184E-01 RMM: 5 -0.324355829125E+03 0.24607E-03 -0.34513E-04 4314 0.510E-02 0.130E-01 RMM: 6 -0.324355893905E+03 -0.64781E-04 -0.24853E-04 3896 0.409E-02 0.172E-01 RMM: 7 -0.324355795884E+03 0.98021E-04 -0.16577E-04 3887 0.351E-02 0.137E-01 RMM: 8 -0.324355675877E+03 0.12001E-03 -0.73192E-05 3520 0.235E-02 0.427E-02 RMM: 9 -0.324355676097E+03 -0.22047E-06 -0.30280E-05 2644 0.154E-02 8530 T= 6855. E= 0.69379735E+03 F= 0.63709003E+03 E0= 0.66623527E+03 EK= 0.56707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324039741433E+03 0.31593E+00 -0.23362E-01 8808 0.252E+01 0.240E-01 RMM: 2 -0.324060248590E+03 -0.20507E-01 -0.17179E-01 5079 0.915E-01 0.894E-01 RMM: 3 -0.324054015412E+03 0.62332E-02 -0.16903E-02 5938 0.247E-01 0.198E-01 RMM: 4 -0.324053644551E+03 0.37086E-03 -0.10112E-03 4806 0.738E-02 0.178E-01 RMM: 5 -0.324053419205E+03 0.22535E-03 -0.25994E-04 3963 0.437E-02 0.105E-01 RMM: 6 -0.324053440630E+03 -0.21425E-04 -0.15815E-04 3882 0.336E-02 0.129E-01 RMM: 7 -0.324053405214E+03 0.35417E-04 -0.11021E-04 3855 0.288E-02 0.117E-01 RMM: 8 -0.324053315328E+03 0.89886E-04 -0.45555E-05 3193 0.194E-02 0.359E-02 RMM: 9 -0.324053312575E+03 0.27527E-05 -0.18005E-05 2506 0.121E-02 8531 T= 6957. E= 0.69472432E+03 F= 0.63717366E+03 E0= 0.66630840E+03 EK= 0.57551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323457363474E+03 0.59595E+00 -0.24105E-01 8892 0.251E+01 0.255E-01 RMM: 2 -0.323477402099E+03 -0.20039E-01 -0.16922E-01 5166 0.885E-01 0.874E-01 RMM: 3 -0.323470980209E+03 0.64219E-02 -0.14530E-02 5913 0.235E-01 0.210E-01 RMM: 4 -0.323470721378E+03 0.25883E-03 -0.10833E-03 4805 0.785E-02 0.216E-01 RMM: 5 -0.323470427306E+03 0.29407E-03 -0.35003E-04 4236 0.497E-02 0.129E-01 RMM: 6 -0.323470410771E+03 0.16535E-04 -0.18533E-04 3893 0.360E-02 8532 T= 6817. E= 0.69393630E+03 F= 0.63754001E+03 E0= 0.66666998E+03 EK= 0.56396E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322661754806E+03 0.80867E+00 -0.23366E-01 8928 0.246E+01 0.517E-01 RMM: 2 -0.322721117197E+03 -0.59362E-01 -0.16634E-01 5225 0.914E-01 0.266E+00 RMM: 3 -0.322673293736E+03 0.47823E-01 -0.27200E-02 5359 0.401E-01 0.489E-01 RMM: 4 -0.322671857397E+03 0.14363E-02 -0.33990E-03 5323 0.121E-01 0.230E-01 RMM: 5 -0.322671909706E+03 -0.52309E-04 -0.75529E-04 4585 0.655E-02 0.271E-01 RMM: 6 -0.322671451955E+03 0.45775E-03 -0.34478E-04 3910 0.483E-02 0.115E-01 RMM: 7 -0.322671489659E+03 -0.37703E-04 -0.19881E-04 3909 0.372E-02 0.140E-01 RMM: 8 -0.322671404132E+03 0.85526E-04 -0.10837E-04 3815 0.277E-02 0.968E-02 RMM: 9 -0.322671344806E+03 0.59326E-04 -0.35028E-05 3081 0.172E-02 0.269E-02 RMM: 10 -0.322671354288E+03 -0.94821E-05 -0.14591E-05 2513 0.105E-02 8533 T= 6504. E= 0.69192810E+03 F= 0.63812189E+03 E0= 0.66725048E+03 EK= 0.53806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321767422709E+03 0.90392E+00 -0.23217E-01 8736 0.240E+01 0.496E-01 RMM: 2 -0.321824083834E+03 -0.56661E-01 -0.17409E-01 5181 0.952E-01 0.256E+00 RMM: 3 -0.321779799944E+03 0.44284E-01 -0.25765E-02 5368 0.387E-01 0.506E-01 RMM: 4 -0.321778080953E+03 0.17190E-02 -0.37074E-03 5326 0.133E-01 0.200E-01 RMM: 5 -0.321778239095E+03 -0.15814E-03 -0.66765E-04 4564 0.614E-02 0.261E-01 RMM: 6 -0.321777794684E+03 0.44441E-03 -0.24769E-04 3897 0.410E-02 0.764E-02 RMM: 7 -0.321777778550E+03 0.16134E-04 -0.59873E-05 3379 0.206E-02 8534 T= 6155. E= 0.68971182E+03 F= 0.63879617E+03 E0= 0.66792608E+03 EK= 0.50916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320916225249E+03 0.86157E+00 -0.21518E-01 9000 0.234E+01 0.415E-01 RMM: 2 -0.320947959602E+03 -0.31734E-01 -0.14251E-01 5405 0.850E-01 0.180E+00 RMM: 3 -0.320926067209E+03 0.21892E-01 -0.16252E-02 5424 0.294E-01 0.330E-01 RMM: 4 -0.320925837330E+03 0.22988E-03 -0.22981E-03 4996 0.106E-01 0.309E-01 RMM: 5 -0.320925567885E+03 0.26945E-03 -0.58162E-04 4553 0.594E-02 0.252E-01 RMM: 6 -0.320925148357E+03 0.41953E-03 -0.27076E-04 3890 0.433E-02 0.728E-02 RMM: 7 -0.320925230783E+03 -0.82426E-04 -0.13001E-04 3886 0.294E-02 0.138E-01 RMM: 8 -0.320925123307E+03 0.10748E-03 -0.78301E-05 3620 0.246E-02 0.660E-02 RMM: 9 -0.320925095374E+03 0.27934E-04 -0.24086E-05 2742 0.147E-02 0.212E-02 RMM: 10 -0.320925101021E+03 -0.56468E-05 -0.89533E-06 2472 0.882E-03 8535 T= 5901. E= 0.68824193E+03 F= 0.63942787E+03 E0= 0.66856254E+03 EK= 0.48814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320221063975E+03 0.70403E+00 -0.19841E-01 8772 0.230E+01 0.294E-01 RMM: 2 -0.320238357168E+03 -0.17293E-01 -0.13494E-01 5323 0.798E-01 0.955E-01 RMM: 3 -0.320231375838E+03 0.69813E-02 -0.11877E-02 5487 0.234E-01 0.238E-01 RMM: 4 -0.320231661797E+03 -0.28596E-03 -0.15395E-03 4811 0.896E-02 0.327E-01 RMM: 5 -0.320231004818E+03 0.65698E-03 -0.41120E-04 4135 0.506E-02 0.138E-01 RMM: 6 -0.320230888363E+03 0.11645E-03 -0.12891E-04 3866 0.304E-02 0.589E-02 RMM: 7 -0.320230926750E+03 -0.38386E-04 -0.68261E-05 3472 0.219E-02 0.104E-01 RMM: 8 -0.320230856903E+03 0.69846E-04 -0.43988E-05 3103 0.200E-02 0.386E-02 RMM: 9 -0.320230848903E+03 0.80003E-05 -0.13578E-05 2494 0.106E-02 8536 T= 5826. E= 0.68809637E+03 F= 0.63990171E+03 E0= 0.66904215E+03 EK= 0.48195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319765642687E+03 0.46521E+00 -0.18819E-01 8484 0.231E+01 0.285E-01 RMM: 2 -0.319781866595E+03 -0.16224E-01 -0.12950E-01 5206 0.814E-01 0.925E-01 RMM: 3 -0.319775720115E+03 0.61465E-02 -0.12914E-02 5863 0.225E-01 0.204E-01 RMM: 4 -0.319775724477E+03 -0.43619E-05 -0.12171E-03 4732 0.812E-02 0.272E-01 RMM: 5 -0.319775306385E+03 0.41809E-03 -0.34986E-04 4035 0.483E-02 0.135E-01 RMM: 6 -0.319775203618E+03 0.10277E-03 -0.11125E-04 3822 0.289E-02 0.670E-02 RMM: 7 -0.319775266747E+03 -0.63129E-04 -0.85630E-05 3668 0.240E-02 0.125E-01 RMM: 8 -0.319775165476E+03 0.10127E-03 -0.46062E-05 3202 0.212E-02 0.317E-02 RMM: 9 -0.319775162019E+03 0.34573E-05 -0.12952E-05 2492 0.103E-02 8537 T= 5959. E= 0.68943520E+03 F= 0.64014071E+03 E0= 0.66928761E+03 EK= 0.49294E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319581965850E+03 0.19320E+00 -0.18984E-01 8328 0.235E+01 0.276E-01 RMM: 2 -0.319600821170E+03 -0.18855E-01 -0.12357E-01 5140 0.809E-01 0.115E+00 RMM: 3 -0.319591748013E+03 0.90732E-02 -0.12867E-02 5773 0.226E-01 0.213E-01 RMM: 4 -0.319591543042E+03 0.20497E-03 -0.12403E-03 4737 0.822E-02 0.215E-01 RMM: 5 -0.319591315397E+03 0.22764E-03 -0.32879E-04 4009 0.470E-02 0.137E-01 RMM: 6 -0.319591215372E+03 0.10002E-03 -0.12512E-04 3870 0.310E-02 0.727E-02 RMM: 7 -0.319591267485E+03 -0.52112E-04 -0.78377E-05 3580 0.237E-02 0.118E-01 RMM: 8 -0.319591173705E+03 0.93780E-04 -0.46065E-05 3175 0.215E-02 0.334E-02 RMM: 9 -0.319591168791E+03 0.49144E-05 -0.10695E-05 2483 0.929E-03 8538 T= 6272. E= 0.69200027E+03 F= 0.64011457E+03 E0= 0.66926766E+03 EK= 0.51886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319644825366E+03 -0.53652E-01 -0.19652E-01 8232 0.242E+01 0.235E-01 RMM: 2 -0.319661008222E+03 -0.16183E-01 -0.12092E-01 5105 0.814E-01 0.946E-01 RMM: 3 -0.319654799059E+03 0.62092E-02 -0.12694E-02 5802 0.219E-01 0.190E-01 RMM: 4 -0.319654577234E+03 0.22183E-03 -0.94510E-04 4714 0.715E-02 0.184E-01 RMM: 5 -0.319654383724E+03 0.19351E-03 -0.28800E-04 3981 0.456E-02 0.118E-01 RMM: 6 -0.319654339714E+03 0.44011E-04 -0.12838E-04 3858 0.305E-02 0.940E-02 RMM: 7 -0.319654359273E+03 -0.19559E-04 -0.80853E-05 3621 0.252E-02 8539 T= 6674. E= 0.69505757E+03 F= 0.63984915E+03 E0= 0.66900640E+03 EK= 0.55208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319872547546E+03 -0.21821E+00 -0.20118E-01 8124 0.249E+01 0.248E-01 RMM: 2 -0.319889918287E+03 -0.17371E-01 -0.13818E-01 5025 0.896E-01 0.933E-01 RMM: 3 -0.319884265820E+03 0.56525E-02 -0.15337E-02 5875 0.233E-01 0.234E-01 RMM: 4 -0.319883789131E+03 0.47669E-03 -0.94792E-04 4771 0.715E-02 0.159E-01 RMM: 5 -0.319883605819E+03 0.18331E-03 -0.35339E-04 4402 0.529E-02 0.104E-01 RMM: 6 -0.319883682139E+03 -0.76320E-04 -0.19817E-04 3885 0.368E-02 0.153E-01 RMM: 7 -0.319883595333E+03 0.86806E-04 -0.98479E-05 3817 0.283E-02 0.111E-01 RMM: 8 -0.319883512364E+03 0.82969E-04 -0.50759E-05 3267 0.207E-02 0.330E-02 RMM: 9 -0.319883517986E+03 -0.56227E-05 -0.19501E-05 2546 0.128E-02 8540 T= 7012. E= 0.69743528E+03 F= 0.63942497E+03 E0= 0.66858349E+03 EK= 0.58010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320145870530E+03 -0.26236E+00 -0.21286E-01 8232 0.254E+01 0.249E-01 RMM: 2 -0.320164513900E+03 -0.18643E-01 -0.13406E-01 4991 0.913E-01 0.105E+00 RMM: 3 -0.320157145013E+03 0.73689E-02 -0.15058E-02 5722 0.244E-01 0.216E-01 RMM: 4 -0.320156722283E+03 0.42273E-03 -0.10326E-03 4817 0.742E-02 0.141E-01 RMM: 5 -0.320156600746E+03 0.12154E-03 -0.28602E-04 4097 0.472E-02 0.103E-01 RMM: 6 -0.320156574090E+03 0.26656E-04 -0.13175E-04 3875 0.311E-02 0.906E-02 RMM: 7 -0.320156578724E+03 -0.46340E-05 -0.72096E-05 3571 0.244E-02 8541 T= 7131. E= 0.69795532E+03 F= 0.63896158E+03 E0= 0.66811657E+03 EK= 0.58994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320342427334E+03 -0.18585E+00 -0.21334E-01 7848 0.254E+01 0.239E-01 RMM: 2 -0.320358019760E+03 -0.15592E-01 -0.13767E-01 4951 0.908E-01 0.768E-01 RMM: 3 -0.320354097910E+03 0.39218E-02 -0.15402E-02 5928 0.230E-01 0.207E-01 RMM: 4 -0.320353740776E+03 0.35713E-03 -0.89870E-04 4760 0.741E-02 0.185E-01 RMM: 5 -0.320353483901E+03 0.25687E-03 -0.38667E-04 4469 0.551E-02 0.983E-02 RMM: 6 -0.320353608419E+03 -0.12452E-03 -0.21186E-04 3889 0.378E-02 0.170E-01 RMM: 7 -0.320353457045E+03 0.15137E-03 -0.96447E-05 3818 0.289E-02 0.918E-02 RMM: 8 -0.320353401748E+03 0.55297E-04 -0.36064E-05 3062 0.177E-02 0.327E-02 RMM: 9 -0.320353408147E+03 -0.63989E-05 -0.19554E-05 2523 0.128E-02 8542 T= 6963. E= 0.69617866E+03 F= 0.63857559E+03 E0= 0.66772377E+03 EK= 0.57603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320400705187E+03 -0.47303E-01 -0.19460E-01 8160 0.249E+01 0.233E-01 RMM: 2 -0.320414287249E+03 -0.13582E-01 -0.10830E-01 4941 0.801E-01 0.839E-01 RMM: 3 -0.320409510360E+03 0.47769E-02 -0.12204E-02 5805 0.219E-01 0.185E-01 RMM: 4 -0.320409281555E+03 0.22881E-03 -0.82618E-04 4676 0.684E-02 0.175E-01 RMM: 5 -0.320409109175E+03 0.17238E-03 -0.24928E-04 4031 0.447E-02 0.110E-01 RMM: 6 -0.320409056551E+03 0.52624E-04 -0.12003E-04 3826 0.304E-02 0.757E-02 RMM: 7 -0.320409076952E+03 -0.20401E-04 -0.57466E-05 3321 0.220E-02 0.100E-01 RMM: 8 -0.320409009566E+03 0.67386E-04 -0.28597E-05 2795 0.174E-02 0.225E-02 RMM: 9 -0.320409009568E+03 -0.22064E-08 -0.97021E-06 2463 0.864E-03 8543 T= 6581. E= 0.69277042E+03 F= 0.63832869E+03 E0= 0.66746791E+03 EK= 0.54442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320325722534E+03 0.83287E-01 -0.18773E-01 7944 0.242E+01 0.252E-01 RMM: 2 -0.320337676895E+03 -0.11954E-01 -0.94145E-02 4978 0.728E-01 0.807E-01 RMM: 3 -0.320332973380E+03 0.47035E-02 -0.98733E-03 5635 0.205E-01 0.200E-01 RMM: 4 -0.320333019681E+03 -0.46301E-04 -0.10716E-03 4860 0.809E-02 0.250E-01 RMM: 5 -0.320332635469E+03 0.38421E-03 -0.32521E-04 4041 0.474E-02 0.128E-01 RMM: 6 -0.320332557759E+03 0.77710E-04 -0.11768E-04 3872 0.301E-02 0.779E-02 RMM: 7 -0.320332589079E+03 -0.31321E-04 -0.84353E-05 3673 0.247E-02 0.111E-01 RMM: 8 -0.320332506926E+03 0.82154E-04 -0.43082E-05 3177 0.204E-02 0.294E-02 RMM: 9 -0.320332505728E+03 0.11981E-05 -0.11257E-05 2485 0.924E-03 8544 T= 6145. E= 0.68904651E+03 F= 0.63820978E+03 E0= 0.66734161E+03 EK= 0.50837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320184052657E+03 0.14845E+00 -0.17437E-01 7728 0.234E+01 0.270E-01 RMM: 2 -0.320197502216E+03 -0.13450E-01 -0.98874E-02 4886 0.753E-01 0.917E-01 RMM: 3 -0.320191655869E+03 0.58463E-02 -0.11550E-02 5658 0.224E-01 0.183E-01 RMM: 4 -0.320191878132E+03 -0.22226E-03 -0.10933E-03 4821 0.795E-02 0.293E-01 RMM: 5 -0.320191339474E+03 0.53866E-03 -0.31347E-04 4053 0.464E-02 0.117E-01 RMM: 6 -0.320191266757E+03 0.72717E-04 -0.11446E-04 3784 0.295E-02 0.675E-02 RMM: 7 -0.320191310685E+03 -0.43928E-04 -0.69395E-05 3532 0.226E-02 0.111E-01 RMM: 8 -0.320191227710E+03 0.82975E-04 -0.39504E-05 3064 0.198E-02 0.272E-02 RMM: 9 -0.320191226751E+03 0.95899E-06 -0.11933E-05 2483 0.968E-03 8545 T= 5810. E= 0.68621475E+03 F= 0.63815167E+03 E0= 0.66727937E+03 EK= 0.48063E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320064510057E+03 0.12672E+00 -0.16332E-01 7908 0.230E+01 0.264E-01 RMM: 2 -0.320077125371E+03 -0.12615E-01 -0.91520E-02 5039 0.716E-01 0.891E-01 RMM: 3 -0.320071483461E+03 0.56419E-02 -0.99708E-03 5629 0.205E-01 0.193E-01 RMM: 4 -0.320071633957E+03 -0.15050E-03 -0.11748E-03 4823 0.834E-02 0.278E-01 RMM: 5 -0.320071181116E+03 0.45284E-03 -0.33720E-04 4046 0.481E-02 0.130E-01 RMM: 6 -0.320071079654E+03 0.10146E-03 -0.95493E-05 3713 0.274E-02 0.574E-02 RMM: 7 -0.320071119922E+03 -0.40268E-04 -0.69186E-05 3518 0.222E-02 0.103E-01 RMM: 8 -0.320071048521E+03 0.71401E-04 -0.37436E-05 3047 0.195E-02 0.256E-02 RMM: 9 -0.320071048670E+03 -0.14876E-06 -0.10869E-05 2476 0.917E-03 8546 T= 5672. E= 0.68499416E+03 F= 0.63807071E+03 E0= 0.66719947E+03 EK= 0.46923E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320039898184E+03 0.31150E-01 -0.16949E-01 7620 0.229E+01 0.263E-01 RMM: 2 -0.320054495044E+03 -0.14597E-01 -0.10740E-01 4925 0.777E-01 0.930E-01 RMM: 3 -0.320048449149E+03 0.60459E-02 -0.12543E-02 5717 0.222E-01 0.185E-01 RMM: 4 -0.320048526142E+03 -0.76994E-04 -0.10964E-03 4783 0.791E-02 0.268E-01 RMM: 5 -0.320048089707E+03 0.43643E-03 -0.29764E-04 3951 0.449E-02 0.120E-01 RMM: 6 -0.320048012173E+03 0.77534E-04 -0.11164E-04 3775 0.294E-02 0.656E-02 RMM: 7 -0.320048053485E+03 -0.41312E-04 -0.64816E-05 3448 0.221E-02 0.106E-01 RMM: 8 -0.320047977155E+03 0.76330E-04 -0.37363E-05 3025 0.196E-02 0.270E-02 RMM: 9 -0.320047975594E+03 0.15612E-05 -0.11163E-05 2480 0.955E-03 8547 T= 5769. E= 0.68562337E+03 F= 0.63789443E+03 E0= 0.66702890E+03 EK= 0.47729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320160955626E+03 -0.11298E+00 -0.17013E-01 7980 0.233E+01 0.238E-01 RMM: 2 -0.320174914138E+03 -0.13959E-01 -0.10065E-01 5056 0.744E-01 0.910E-01 RMM: 3 -0.320169172424E+03 0.57417E-02 -0.11196E-02 5774 0.203E-01 0.181E-01 RMM: 4 -0.320169055090E+03 0.11733E-03 -0.95405E-04 4718 0.744E-02 0.208E-01 RMM: 5 -0.320168810186E+03 0.24490E-03 -0.26738E-04 3948 0.436E-02 0.119E-01 RMM: 6 -0.320168742548E+03 0.67638E-04 -0.99457E-05 3739 0.281E-02 0.699E-02 RMM: 7 -0.320168775402E+03 -0.32854E-04 -0.66621E-05 3469 0.226E-02 0.105E-01 RMM: 8 -0.320168702202E+03 0.73200E-04 -0.36726E-05 3039 0.196E-02 0.253E-02 RMM: 9 -0.320168701315E+03 0.88696E-06 -0.96650E-06 2471 0.868E-03 8548 T= 6086. E= 0.68792728E+03 F= 0.63757969E+03 E0= 0.66672347E+03 EK= 0.50348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320425650483E+03 -0.25695E+00 -0.18901E-01 8220 0.239E+01 0.234E-01 RMM: 2 -0.320441682899E+03 -0.16032E-01 -0.11536E-01 5076 0.792E-01 0.959E-01 RMM: 3 -0.320435214567E+03 0.64683E-02 -0.12589E-02 5754 0.216E-01 0.192E-01 RMM: 4 -0.320434932981E+03 0.28159E-03 -0.87521E-04 4736 0.688E-02 0.164E-01 RMM: 5 -0.320434784363E+03 0.14862E-03 -0.24308E-04 3957 0.426E-02 0.115E-01 RMM: 6 -0.320434734791E+03 0.49572E-04 -0.12244E-04 3862 0.305E-02 0.842E-02 RMM: 7 -0.320434771900E+03 -0.37109E-04 -0.76851E-05 3616 0.245E-02 0.115E-01 RMM: 8 -0.320434680927E+03 0.90972E-04 -0.40710E-05 3122 0.201E-02 0.277E-02 RMM: 9 -0.320434678563E+03 0.23646E-05 -0.11035E-05 2483 0.949E-03 8549 T= 6542. E= 0.69124900E+03 F= 0.63712728E+03 E0= 0.66628095E+03 EK= 0.54122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320792666805E+03 -0.35799E+00 -0.20078E-01 8604 0.247E+01 0.211E-01 RMM: 2 -0.320806928555E+03 -0.14262E-01 -0.10486E-01 5239 0.751E-01 0.890E-01 RMM: 3 -0.320801300486E+03 0.56281E-02 -0.99797E-03 5803 0.195E-01 0.182E-01 RMM: 4 -0.320801026554E+03 0.27393E-03 -0.70549E-04 4671 0.626E-02 0.142E-01 RMM: 5 -0.320800893585E+03 0.13297E-03 -0.22013E-04 3919 0.421E-02 0.969E-02 RMM: 6 -0.320800899234E+03 -0.56495E-05 -0.11176E-04 3846 0.290E-02 8550 T= 6985. E= 0.69436820E+03 F= 0.63658235E+03 E0= 0.66574336E+03 EK= 0.57786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321182698138E+03 -0.38180E+00 -0.21457E-01 8688 0.253E+01 0.365E-01 RMM: 2 -0.321215021238E+03 -0.32323E-01 -0.11315E-01 5287 0.785E-01 0.185E+00 RMM: 3 -0.321191191750E+03 0.23829E-01 -0.16062E-02 5361 0.299E-01 0.319E-01 RMM: 4 -0.321190539370E+03 0.65238E-03 -0.17523E-03 4798 0.843E-02 0.154E-01 RMM: 5 -0.321190448747E+03 0.90623E-04 -0.36679E-04 4310 0.518E-02 0.152E-01 RMM: 6 -0.321190338074E+03 0.11067E-03 -0.21839E-04 3901 0.407E-02 0.103E-01 RMM: 7 -0.321190420168E+03 -0.82095E-04 -0.15250E-04 3898 0.339E-02 0.151E-01 RMM: 8 -0.321190276306E+03 0.14386E-03 -0.82904E-05 3634 0.271E-02 0.579E-02 RMM: 9 -0.321190258557E+03 0.17749E-04 -0.19901E-05 2602 0.132E-02 8551 T= 7226. E= 0.69579856E+03 F= 0.63602002E+03 E0= 0.66518217E+03 EK= 0.59779E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321519853960E+03 -0.32958E+00 -0.21737E-01 8808 0.254E+01 0.338E-01 RMM: 2 -0.321550470277E+03 -0.30616E-01 -0.12476E-01 5197 0.823E-01 0.174E+00 RMM: 3 -0.321529485440E+03 0.20985E-01 -0.15259E-02 5367 0.291E-01 0.382E-01 RMM: 4 -0.321528443716E+03 0.10417E-02 -0.19402E-03 4905 0.948E-02 0.123E-01 RMM: 5 -0.321528449906E+03 -0.61903E-05 -0.35254E-04 4155 0.490E-02 0.152E-01 RMM: 6 -0.321528302680E+03 0.14723E-03 -0.13042E-04 3871 0.319E-02 0.634E-02 RMM: 7 -0.321528345960E+03 -0.43280E-04 -0.80731E-05 3594 0.238E-02 0.107E-01 RMM: 8 -0.321528275027E+03 0.70932E-04 -0.47759E-05 3187 0.221E-02 0.396E-02 RMM: 9 -0.321528265745E+03 0.92824E-05 -0.11092E-05 2487 0.101E-02 8552 T= 7145. E= 0.69461911E+03 F= 0.63551145E+03 E0= 0.66466787E+03 EK= 0.59108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321767205517E+03 -0.23893E+00 -0.21428E-01 8652 0.250E+01 0.292E-01 RMM: 2 -0.321790441229E+03 -0.23236E-01 -0.12164E-01 5153 0.798E-01 0.138E+00 RMM: 3 -0.321776606563E+03 0.13835E-01 -0.13001E-02 5521 0.246E-01 0.242E-01 RMM: 4 -0.321776299274E+03 0.30729E-03 -0.13488E-03 4797 0.816E-02 0.183E-01 RMM: 5 -0.321776177941E+03 0.12133E-03 -0.31878E-04 4077 0.475E-02 0.155E-01 RMM: 6 -0.321776037312E+03 0.14063E-03 -0.12851E-04 3867 0.311E-02 0.701E-02 RMM: 7 -0.321776098508E+03 -0.61197E-04 -0.10682E-04 3877 0.275E-02 0.120E-01 RMM: 8 -0.321776002138E+03 0.96370E-04 -0.51699E-05 3273 0.222E-02 0.380E-02 RMM: 9 -0.321775995212E+03 0.69257E-05 -0.13012E-05 2500 0.105E-02 8553 T= 6780. E= 0.69118312E+03 F= 0.63509198E+03 E0= 0.66423562E+03 EK= 0.56091E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321935554931E+03 -0.15955E+00 -0.20152E-01 8640 0.242E+01 0.272E-01 RMM: 2 -0.321952910526E+03 -0.17356E-01 -0.12558E-01 5058 0.820E-01 0.103E+00 RMM: 3 -0.321945410315E+03 0.75002E-02 -0.13383E-02 5814 0.233E-01 0.195E-01 RMM: 4 -0.321945323647E+03 0.86667E-04 -0.11480E-03 4780 0.789E-02 0.236E-01 RMM: 5 -0.321945027357E+03 0.29629E-03 -0.28980E-04 3970 0.440E-02 0.132E-01 RMM: 6 -0.321944921852E+03 0.10551E-03 -0.11117E-04 3785 0.299E-02 0.550E-02 RMM: 7 -0.321944966235E+03 -0.44383E-04 -0.58676E-05 3349 0.212E-02 0.102E-01 RMM: 8 -0.321944895574E+03 0.70662E-04 -0.34881E-05 2932 0.190E-02 0.323E-02 RMM: 9 -0.321944890133E+03 0.54401E-05 -0.11620E-05 2476 0.985E-03 8554 T= 6299. E= 0.68685528E+03 F= 0.63474760E+03 E0= 0.66387394E+03 EK= 0.52108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322070133009E+03 -0.12524E+00 -0.18948E-01 8304 0.234E+01 0.268E-01 RMM: 2 -0.322087462854E+03 -0.17330E-01 -0.12702E-01 5033 0.818E-01 0.987E-01 RMM: 3 -0.322080246877E+03 0.72160E-02 -0.13357E-02 5805 0.225E-01 0.192E-01 RMM: 4 -0.322080281386E+03 -0.34510E-04 -0.12807E-03 4876 0.867E-02 0.275E-01 RMM: 5 -0.322079840685E+03 0.44070E-03 -0.34214E-04 4026 0.485E-02 0.123E-01 RMM: 6 -0.322079746472E+03 0.94214E-04 -0.81835E-05 3561 0.255E-02 0.522E-02 RMM: 7 -0.322079781090E+03 -0.34618E-04 -0.70029E-05 3527 0.222E-02 0.953E-02 RMM: 8 -0.322079720451E+03 0.60639E-04 -0.39393E-05 3074 0.198E-02 0.292E-02 RMM: 9 -0.322079717540E+03 0.29105E-05 -0.10273E-05 2478 0.903E-03 8555 T= 5883. E= 0.68309886E+03 F= 0.63443291E+03 E0= 0.66354041E+03 EK= 0.48666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322223420958E+03 -0.14370E+00 -0.16922E-01 8232 0.228E+01 0.272E-01 RMM: 2 -0.322238242907E+03 -0.14822E-01 -0.11120E-01 5098 0.762E-01 0.935E-01 RMM: 3 -0.322231998050E+03 0.62449E-02 -0.11493E-02 5774 0.213E-01 0.200E-01 RMM: 4 -0.322232064769E+03 -0.66720E-04 -0.11890E-03 4759 0.824E-02 0.271E-01 RMM: 5 -0.322231617655E+03 0.44711E-03 -0.30314E-04 3907 0.438E-02 0.120E-01 RMM: 6 -0.322231528989E+03 0.88666E-04 -0.93932E-05 3664 0.277E-02 0.536E-02 RMM: 7 -0.322231562257E+03 -0.33268E-04 -0.54970E-05 3296 0.203E-02 0.944E-02 RMM: 8 -0.322231502804E+03 0.59453E-04 -0.37234E-05 2969 0.190E-02 0.321E-02 RMM: 9 -0.322231498022E+03 0.47818E-05 -0.11888E-05 2478 0.994E-03 8556 T= 5654. E= 0.68087126E+03 F= 0.63409841E+03 E0= 0.66318858E+03 EK= 0.46773E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322432608268E+03 -0.20111E+00 -0.15742E-01 8076 0.226E+01 0.245E-01 RMM: 2 -0.322445281991E+03 -0.12674E-01 -0.94923E-02 5191 0.696E-01 0.853E-01 RMM: 3 -0.322439910639E+03 0.53714E-02 -0.92874E-03 5773 0.186E-01 0.180E-01 RMM: 4 -0.322440000198E+03 -0.89559E-04 -0.10370E-03 4697 0.782E-02 0.259E-01 RMM: 5 -0.322439588686E+03 0.41151E-03 -0.28623E-04 3905 0.434E-02 0.109E-01 RMM: 6 -0.322439519005E+03 0.69681E-04 -0.71844E-05 3496 0.243E-02 0.527E-02 RMM: 7 -0.322439548432E+03 -0.29427E-04 -0.57642E-05 3330 0.208E-02 0.907E-02 RMM: 8 -0.322439491292E+03 0.57140E-04 -0.34498E-05 2960 0.188E-02 0.255E-02 RMM: 9 -0.322439489640E+03 0.16516E-05 -0.99686E-06 2471 0.885E-03 8557 T= 5665. E= 0.68057102E+03 F= 0.63370804E+03 E0= 0.66278490E+03 EK= 0.46863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322711184946E+03 -0.27169E+00 -0.15667E-01 7956 0.229E+01 0.237E-01 RMM: 2 -0.322723868779E+03 -0.12684E-01 -0.90277E-02 5167 0.689E-01 0.899E-01 RMM: 3 -0.322718071048E+03 0.57977E-02 -0.90480E-03 5708 0.189E-01 0.179E-01 RMM: 4 -0.322718027625E+03 0.43422E-04 -0.92098E-04 4674 0.716E-02 0.207E-01 RMM: 5 -0.322717776424E+03 0.25120E-03 -0.21537E-04 3880 0.368E-02 0.114E-01 RMM: 6 -0.322717705122E+03 0.71302E-04 -0.84947E-05 3594 0.263E-02 0.592E-02 RMM: 7 -0.322717736500E+03 -0.31378E-04 -0.58729E-05 3351 0.214E-02 0.952E-02 RMM: 8 -0.322717674404E+03 0.62096E-04 -0.34296E-05 2986 0.189E-02 0.272E-02 RMM: 9 -0.322717671343E+03 0.30608E-05 -0.95972E-06 2464 0.878E-03 8558 T= 5913. E= 0.68216463E+03 F= 0.63325151E+03 E0= 0.66232102E+03 EK= 0.48913E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323043218490E+03 -0.32554E+00 -0.16688E-01 8172 0.235E+01 0.206E-01 RMM: 2 -0.323054330157E+03 -0.11112E-01 -0.89188E-02 5093 0.700E-01 0.744E-01 RMM: 3 -0.323050413735E+03 0.39164E-02 -0.93022E-03 5844 0.182E-01 0.156E-01 RMM: 4 -0.323050312087E+03 0.10165E-03 -0.69689E-04 4643 0.634E-02 0.181E-01 RMM: 5 -0.323050110124E+03 0.20196E-03 -0.20314E-04 3884 0.380E-02 0.936E-02 RMM: 6 -0.323050082626E+03 0.27499E-04 -0.81851E-05 3567 0.257E-02 0.731E-02 RMM: 7 -0.323050097846E+03 -0.15221E-04 -0.48917E-05 3196 0.203E-02 8559 T= 6338. E= 0.68518374E+03 F= 0.63274763E+03 E0= 0.66181713E+03 EK= 0.52436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323386200815E+03 -0.33612E+00 -0.17790E-01 8016 0.244E+01 0.211E-01 RMM: 2 -0.323399183444E+03 -0.12983E-01 -0.10269E-01 5032 0.768E-01 0.817E-01 RMM: 3 -0.323394805501E+03 0.43779E-02 -0.11445E-02 5836 0.198E-01 0.184E-01 RMM: 4 -0.323394509350E+03 0.29615E-03 -0.72603E-04 4688 0.638E-02 0.141E-01 RMM: 5 -0.323394368356E+03 0.14099E-03 -0.21434E-04 3913 0.409E-02 0.896E-02 RMM: 6 -0.323394393811E+03 -0.25455E-04 -0.11706E-04 3822 0.294E-02 0.112E-01 RMM: 7 -0.323394355858E+03 0.37953E-04 -0.66883E-05 3485 0.240E-02 0.925E-02 RMM: 8 -0.323394297705E+03 0.58152E-04 -0.35656E-05 3044 0.185E-02 0.254E-02 RMM: 9 -0.323394300614E+03 -0.29090E-05 -0.14284E-05 2491 0.108E-02 8560 T= 6814. E= 0.68861091E+03 F= 0.63223992E+03 E0= 0.66131683E+03 EK= 0.56371E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323687092746E+03 -0.29280E+00 -0.20221E-01 7824 0.250E+01 0.206E-01 RMM: 2 -0.323702538898E+03 -0.15446E-01 -0.12617E-01 4870 0.865E-01 0.836E-01 RMM: 3 -0.323697752608E+03 0.47863E-02 -0.14234E-02 5812 0.226E-01 0.137E-01 RMM: 4 -0.323697545185E+03 0.20742E-03 -0.79947E-04 4808 0.661E-02 0.157E-01 RMM: 5 -0.323697389257E+03 0.15593E-03 -0.19639E-04 3923 0.403E-02 0.787E-02 RMM: 6 -0.323697384385E+03 0.48718E-05 -0.10241E-04 3721 0.277E-02 8561 T= 7156. E= 0.69098017E+03 F= 0.63178029E+03 E0= 0.66087126E+03 EK= 0.59200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323913181215E+03 -0.21579E+00 -0.19848E-01 7968 0.253E+01 0.259E-01 RMM: 2 -0.323931269077E+03 -0.18088E-01 -0.96634E-02 5127 0.749E-01 0.122E+00 RMM: 3 -0.323920858209E+03 0.10411E-01 -0.10765E-02 5437 0.227E-01 0.238E-01 RMM: 4 -0.323920529172E+03 0.32904E-03 -0.10442E-03 4661 0.697E-02 0.140E-01 RMM: 5 -0.323920419496E+03 0.10968E-03 -0.29528E-04 4105 0.483E-02 0.116E-01 RMM: 6 -0.323920378153E+03 0.41342E-04 -0.14290E-04 3880 0.322E-02 0.962E-02 RMM: 7 -0.323920418088E+03 -0.39935E-04 -0.10519E-04 3868 0.283E-02 0.126E-01 RMM: 8 -0.323920309746E+03 0.10834E-03 -0.56370E-05 3332 0.229E-02 0.346E-02 RMM: 9 -0.323920305896E+03 0.38497E-05 -0.13546E-05 2499 0.106E-02 8562 T= 7207. E= 0.69103021E+03 F= 0.63140521E+03 E0= 0.66051535E+03 EK= 0.59625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324057206060E+03 -0.13690E+00 -0.19663E-01 8076 0.251E+01 0.259E-01 RMM: 2 -0.324075998404E+03 -0.18792E-01 -0.93392E-02 5018 0.747E-01 0.130E+00 RMM: 3 -0.324064399213E+03 0.11599E-01 -0.11027E-02 5440 0.236E-01 0.219E-01 RMM: 4 -0.324064117617E+03 0.28160E-03 -0.10955E-03 4703 0.733E-02 0.143E-01 RMM: 5 -0.324064030180E+03 0.87436E-04 -0.22997E-04 3906 0.412E-02 0.121E-01 RMM: 6 -0.324063946510E+03 0.83670E-04 -0.10477E-04 3795 0.293E-02 0.550E-02 RMM: 7 -0.324063991145E+03 -0.44635E-04 -0.50050E-05 3200 0.201E-02 0.104E-01 RMM: 8 -0.324063917656E+03 0.73488E-04 -0.33585E-05 2861 0.190E-02 0.225E-02 RMM: 9 -0.324063915915E+03 0.17412E-05 -0.90099E-06 2461 0.861E-03 8563 T= 6946. E= 0.68857053E+03 F= 0.63111071E+03 E0= 0.66024117E+03 EK= 0.57460E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324163611836E+03 -0.99694E-01 -0.19163E-01 8556 0.244E+01 0.227E-01 RMM: 2 -0.324176377885E+03 -0.12766E-01 -0.89514E-02 5104 0.692E-01 0.902E-01 RMM: 3 -0.324170477068E+03 0.59008E-02 -0.88971E-03 5574 0.198E-01 0.170E-01 RMM: 4 -0.324170435077E+03 0.41992E-04 -0.83600E-04 4668 0.679E-02 0.195E-01 RMM: 5 -0.324170197143E+03 0.23793E-03 -0.22094E-04 3886 0.396E-02 0.965E-02 RMM: 6 -0.324170170929E+03 0.26214E-04 -0.90152E-05 3671 0.265E-02 0.796E-02 RMM: 7 -0.324170195804E+03 -0.24875E-04 -0.62761E-05 3406 0.220E-02 0.106E-01 RMM: 8 -0.324170119929E+03 0.75875E-04 -0.37438E-05 3025 0.196E-02 0.234E-02 RMM: 9 -0.324170120178E+03 -0.24872E-06 -0.10779E-05 2476 0.928E-03 8564 T= 6500. E= 0.68462601E+03 F= 0.63085227E+03 E0= 0.66000181E+03 EK= 0.53774E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324293097890E+03 -0.12298E+00 -0.17921E-01 8616 0.237E+01 0.229E-01 RMM: 2 -0.324306293574E+03 -0.13196E-01 -0.90795E-02 5009 0.696E-01 0.932E-01 RMM: 3 -0.324300079232E+03 0.62143E-02 -0.94090E-03 5666 0.202E-01 0.186E-01 RMM: 4 -0.324299922187E+03 0.15704E-03 -0.87019E-04 4676 0.702E-02 0.173E-01 RMM: 5 -0.324299758509E+03 0.16368E-03 -0.20422E-04 3884 0.377E-02 0.106E-01 RMM: 6 -0.324299698908E+03 0.59601E-04 -0.78890E-05 3567 0.259E-02 0.568E-02 RMM: 7 -0.324299737157E+03 -0.38249E-04 -0.52143E-05 3235 0.201E-02 0.979E-02 RMM: 8 -0.324299673593E+03 0.63564E-04 -0.33667E-05 2906 0.190E-02 0.266E-02 RMM: 9 -0.324299670477E+03 0.31156E-05 -0.93264E-06 2460 0.887E-03 8565 T= 6057. E= 0.68067650E+03 F= 0.63056796E+03 E0= 0.65973358E+03 EK= 0.50109E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324498502798E+03 -0.19883E+00 -0.17028E-01 8784 0.231E+01 0.208E-01 RMM: 2 -0.324509384717E+03 -0.10882E-01 -0.85927E-02 5058 0.655E-01 0.739E-01 RMM: 3 -0.324505129109E+03 0.42556E-02 -0.80600E-03 5589 0.186E-01 0.162E-01 RMM: 4 -0.324505139789E+03 -0.10680E-04 -0.75972E-04 4642 0.663E-02 0.202E-01 RMM: 5 -0.324504879519E+03 0.26027E-03 -0.20684E-04 3886 0.377E-02 0.923E-02 RMM: 6 -0.324504849594E+03 0.29925E-04 -0.79643E-05 3566 0.251E-02 0.703E-02 RMM: 7 -0.324504875895E+03 -0.26301E-04 -0.60002E-05 3356 0.215E-02 0.988E-02 RMM: 8 -0.324504811460E+03 0.64436E-04 -0.36688E-05 3016 0.194E-02 0.254E-02 RMM: 9 -0.324504809992E+03 0.14680E-05 -0.97733E-06 2469 0.899E-03 8566 T= 5762. E= 0.67787280E+03 F= 0.63020619E+03 E0= 0.65938439E+03 EK= 0.47667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324807221765E+03 -0.30241E+00 -0.16825E-01 8724 0.229E+01 0.202E-01 RMM: 2 -0.324819130743E+03 -0.11909E-01 -0.92691E-02 5019 0.682E-01 0.779E-01 RMM: 3 -0.324814644029E+03 0.44867E-02 -0.93636E-03 5773 0.191E-01 0.162E-01 RMM: 4 -0.324814510816E+03 0.13321E-03 -0.71428E-04 4663 0.634E-02 0.166E-01 RMM: 5 -0.324814348270E+03 0.16255E-03 -0.18707E-04 3884 0.363E-02 0.957E-02 RMM: 6 -0.324814310534E+03 0.37736E-04 -0.79881E-05 3579 0.252E-02 0.656E-02 RMM: 7 -0.324814340382E+03 -0.29848E-04 -0.51210E-05 3245 0.201E-02 0.973E-02 RMM: 8 -0.324814277198E+03 0.63183E-04 -0.31550E-05 2882 0.182E-02 0.239E-02 RMM: 9 -0.324814275708E+03 0.14901E-05 -0.90708E-06 2458 0.856E-03 8567 T= 5688. E= 0.67679665E+03 F= 0.62974046E+03 E0= 0.65892827E+03 EK= 0.47056E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325218731564E+03 -0.40445E+00 -0.16894E-01 9012 0.231E+01 0.177E-01 RMM: 2 -0.325228807117E+03 -0.10076E-01 -0.88354E-02 5194 0.646E-01 0.604E-01 RMM: 3 -0.325225774577E+03 0.30325E-02 -0.77193E-03 5917 0.169E-01 0.151E-01 RMM: 4 -0.325225624826E+03 0.14975E-03 -0.51019E-04 4516 0.535E-02 0.141E-01 RMM: 5 -0.325225492737E+03 0.13209E-03 -0.14835E-04 3880 0.331E-02 0.848E-02 RMM: 6 -0.325225481697E+03 0.11040E-04 -0.81329E-05 3592 0.248E-02 8568 T= 5848. E= 0.67755628E+03 F= 0.62917630E+03 E0= 0.65837214E+03 EK= 0.48380E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325698638319E+03 -0.47315E+00 -0.17988E-01 8832 0.238E+01 0.321E-01 RMM: 2 -0.325727742880E+03 -0.29105E-01 -0.10787E-01 5130 0.744E-01 0.175E+00 RMM: 3 -0.325706718948E+03 0.21024E-01 -0.13874E-02 5372 0.274E-01 0.283E-01 RMM: 4 -0.325706186691E+03 0.53226E-03 -0.15355E-03 4789 0.787E-02 0.122E-01 RMM: 5 -0.325706142260E+03 0.44431E-04 -0.25624E-04 3905 0.420E-02 0.136E-01 RMM: 6 -0.325706054548E+03 0.87712E-04 -0.13774E-04 3880 0.323E-02 0.847E-02 RMM: 7 -0.325706129059E+03 -0.74511E-04 -0.12754E-04 3874 0.301E-02 0.137E-01 RMM: 8 -0.325706007443E+03 0.12162E-03 -0.71819E-05 3522 0.252E-02 0.438E-02 RMM: 9 -0.325705999148E+03 0.82944E-05 -0.16677E-05 2541 0.121E-02 8569 T= 6201. E= 0.67984633E+03 F= 0.62854874E+03 E0= 0.65775112E+03 EK= 0.51298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326193181122E+03 -0.48717E+00 -0.19439E-01 8964 0.246E+01 0.268E-01 RMM: 2 -0.326216607411E+03 -0.23426E-01 -0.10865E-01 5167 0.733E-01 0.145E+00 RMM: 3 -0.326201956863E+03 0.14651E-01 -0.12194E-02 5382 0.249E-01 0.301E-01 RMM: 4 -0.326201320130E+03 0.63673E-03 -0.14187E-03 4743 0.797E-02 0.108E-01 RMM: 5 -0.326201302320E+03 0.17809E-04 -0.22985E-04 3883 0.407E-02 0.118E-01 RMM: 6 -0.326201211957E+03 0.90363E-04 -0.73794E-05 3553 0.242E-02 0.522E-02 RMM: 7 -0.326201245742E+03 -0.33785E-04 -0.58686E-05 3336 0.211E-02 0.927E-02 RMM: 8 -0.326201188103E+03 0.57639E-04 -0.38211E-05 2994 0.197E-02 0.243E-02 RMM: 9 -0.326201187308E+03 0.79482E-06 -0.10628E-05 2465 0.919E-03 8570 T= 6644. E= 0.68287558E+03 F= 0.62791373E+03 E0= 0.65712338E+03 EK= 0.54962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326638910160E+03 -0.43772E+00 -0.20909E-01 8916 0.253E+01 0.254E-01 RMM: 2 -0.326659854616E+03 -0.20944E-01 -0.11525E-01 5252 0.771E-01 0.130E+00 RMM: 3 -0.326648021605E+03 0.11833E-01 -0.11344E-02 5588 0.224E-01 0.211E-01 RMM: 4 -0.326647682426E+03 0.33918E-03 -0.99066E-04 4703 0.667E-02 0.116E-01 RMM: 5 -0.326647606774E+03 0.75651E-04 -0.17842E-04 3882 0.358E-02 0.101E-01 RMM: 6 -0.326647571915E+03 0.34859E-04 -0.80292E-05 3615 0.248E-02 0.779E-02 RMM: 7 -0.326647599621E+03 -0.27705E-04 -0.76471E-05 3629 0.234E-02 0.110E-01 RMM: 8 -0.326647519748E+03 0.79872E-04 -0.42099E-05 3135 0.198E-02 0.290E-02 RMM: 9 -0.326647519257E+03 0.49106E-06 -0.15253E-05 2489 0.110E-02 8571 T= 7017. E= 0.68538284E+03 F= 0.62733450E+03 E0= 0.65655276E+03 EK= 0.58048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326983018793E+03 -0.33550E+00 -0.21643E-01 8508 0.257E+01 0.231E-01 RMM: 2 -0.327001553220E+03 -0.18534E-01 -0.12859E-01 5126 0.818E-01 0.107E+00 RMM: 3 -0.326993689283E+03 0.78639E-02 -0.12822E-02 5842 0.220E-01 0.214E-01 RMM: 4 -0.326993282120E+03 0.40716E-03 -0.89973E-04 4693 0.682E-02 0.127E-01 RMM: 5 -0.326993184354E+03 0.97766E-04 -0.17348E-04 3890 0.346E-02 0.961E-02 RMM: 6 -0.326993147674E+03 0.36679E-04 -0.76667E-05 3551 0.248E-02 0.664E-02 RMM: 7 -0.326993176364E+03 -0.28690E-04 -0.57914E-05 3306 0.206E-02 0.104E-01 RMM: 8 -0.326993104928E+03 0.71436E-04 -0.38259E-05 2988 0.195E-02 0.267E-02 RMM: 9 -0.326993104011E+03 0.91686E-06 -0.13205E-05 2471 0.102E-02 8572 T= 7158. E= 0.68607795E+03 F= 0.62686126E+03 E0= 0.65608998E+03 EK= 0.59217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327205780797E+03 -0.21268E+00 -0.21224E-01 8184 0.255E+01 0.211E-01 RMM: 2 -0.327221454616E+03 -0.15674E-01 -0.12739E-01 5053 0.823E-01 0.844E-01 RMM: 3 -0.327216435490E+03 0.50191E-02 -0.13028E-02 6014 0.211E-01 0.156E-01 RMM: 4 -0.327216200721E+03 0.23477E-03 -0.76832E-04 4687 0.673E-02 0.167E-01 RMM: 5 -0.327216025536E+03 0.17519E-03 -0.17048E-04 3896 0.348E-02 0.872E-02 RMM: 6 -0.327216000698E+03 0.24837E-04 -0.61803E-05 3357 0.226E-02 0.662E-02 RMM: 7 -0.327216017282E+03 -0.16583E-04 -0.53481E-05 3243 0.199E-02 8573 T= 7001. E= 0.68442937E+03 F= 0.62651359E+03 E0= 0.65575439E+03 EK= 0.57916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327321487240E+03 -0.10549E+00 -0.18867E-01 7860 0.250E+01 0.239E-01 RMM: 2 -0.327336167621E+03 -0.14680E-01 -0.10590E-01 5097 0.763E-01 0.953E-01 RMM: 3 -0.327330019365E+03 0.61483E-02 -0.11250E-02 5831 0.208E-01 0.187E-01 RMM: 4 -0.327329814487E+03 0.20488E-03 -0.89378E-04 4641 0.697E-02 0.178E-01 RMM: 5 -0.327329614607E+03 0.19988E-03 -0.18552E-04 3895 0.346E-02 0.956E-02 RMM: 6 -0.327329583752E+03 0.30854E-04 -0.64339E-05 3407 0.230E-02 0.726E-02 RMM: 7 -0.327329610293E+03 -0.26541E-04 -0.89149E-05 3814 0.243E-02 0.105E-01 RMM: 8 -0.327329536090E+03 0.74203E-04 -0.42791E-05 3158 0.198E-02 0.235E-02 RMM: 9 -0.327329538553E+03 -0.24631E-05 -0.12522E-05 2488 0.102E-02 8574 T= 6622. E= 0.68106149E+03 F= 0.62627606E+03 E0= 0.65553109E+03 EK= 0.54785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327366195243E+03 -0.36659E-01 -0.17820E-01 7800 0.242E+01 0.254E-01 RMM: 2 -0.327382809107E+03 -0.16614E-01 -0.11658E-01 5021 0.806E-01 0.104E+00 RMM: 3 -0.327375339717E+03 0.74694E-02 -0.12651E-02 5737 0.223E-01 0.183E-01 RMM: 4 -0.327375202128E+03 0.13759E-03 -0.10434E-03 4740 0.745E-02 0.201E-01 RMM: 5 -0.327374993787E+03 0.20834E-03 -0.21309E-04 3907 0.369E-02 0.117E-01 RMM: 6 -0.327374905950E+03 0.87837E-04 -0.72853E-05 3468 0.250E-02 0.345E-02 RMM: 7 -0.327374926709E+03 -0.20759E-04 -0.28825E-05 2645 0.153E-02 0.719E-02 RMM: 8 -0.327374894153E+03 0.32557E-04 -0.26538E-05 2561 0.162E-02 0.239E-02 RMM: 9 -0.327374891898E+03 0.22544E-05 -0.85037E-06 2448 0.843E-03 8575 T= 6187. E= 0.67728946E+03 F= 0.62610625E+03 E0= 0.65537683E+03 EK= 0.51183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327394296410E+03 -0.19402E-01 -0.15661E-01 7992 0.234E+01 0.210E-01 RMM: 2 -0.327403693717E+03 -0.93973E-02 -0.81554E-02 5091 0.677E-01 0.665E-01 RMM: 3 -0.327400749691E+03 0.29440E-02 -0.85925E-03 5887 0.176E-01 0.159E-01 RMM: 4 -0.327400709490E+03 0.40200E-04 -0.65733E-04 4606 0.617E-02 0.205E-01 RMM: 5 -0.327400420638E+03 0.28885E-03 -0.17084E-04 3890 0.340E-02 0.760E-02 RMM: 6 -0.327400398382E+03 0.22257E-04 -0.52219E-05 3265 0.213E-02 0.552E-02 RMM: 7 -0.327400415521E+03 -0.17139E-04 -0.43583E-05 2997 0.178E-02 8576 T= 5848. E= 0.67433805E+03 F= 0.62595600E+03 E0= 0.65524287E+03 EK= 0.48382E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327431803257E+03 -0.31405E-01 -0.14753E-01 8148 0.229E+01 0.227E-01 RMM: 2 -0.327443103372E+03 -0.11300E-01 -0.74850E-02 5096 0.652E-01 0.902E-01 RMM: 3 -0.327437577138E+03 0.55262E-02 -0.82970E-03 5620 0.188E-01 0.200E-01 RMM: 4 -0.327437384552E+03 0.19259E-03 -0.79334E-04 4617 0.641E-02 0.158E-01 RMM: 5 -0.327437237284E+03 0.14727E-03 -0.14852E-04 3883 0.301E-02 0.921E-02 RMM: 6 -0.327437193597E+03 0.43687E-04 -0.47057E-05 3188 0.205E-02 0.513E-02 RMM: 7 -0.327437220140E+03 -0.26543E-04 -0.53853E-05 3317 0.201E-02 0.880E-02 RMM: 8 -0.327437168367E+03 0.51773E-04 -0.32447E-05 2882 0.178E-02 0.245E-02 RMM: 9 -0.327437166474E+03 0.18938E-05 -0.92900E-06 2460 0.859E-03 8577 T= 5699. E= 0.67294575E+03 F= 0.62579571E+03 E0= 0.65509896E+03 EK= 0.47150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327472576228E+03 -0.35408E-01 -0.15112E-01 8352 0.228E+01 0.210E-01 RMM: 2 -0.327485616104E+03 -0.13040E-01 -0.90498E-02 4942 0.702E-01 0.921E-01 RMM: 3 -0.327479827422E+03 0.57887E-02 -0.10254E-02 5750 0.200E-01 0.149E-01 RMM: 4 -0.327479688654E+03 0.13877E-03 -0.71858E-04 4687 0.596E-02 0.153E-01 RMM: 5 -0.327479537299E+03 0.15136E-03 -0.14445E-04 3883 0.320E-02 0.840E-02 RMM: 6 -0.327479501955E+03 0.35343E-04 -0.60858E-05 3364 0.223E-02 0.533E-02 RMM: 7 -0.327479521210E+03 -0.19255E-04 -0.43135E-05 3003 0.191E-02 8578 T= 5771. E= 0.67337453E+03 F= 0.62563320E+03 E0= 0.65495126E+03 EK= 0.47741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327466310310E+03 0.13192E-01 -0.15726E-01 8856 0.231E+01 0.187E-01 RMM: 2 -0.327477318707E+03 -0.11008E-01 -0.84608E-02 5190 0.670E-01 0.772E-01 RMM: 3 -0.327473172837E+03 0.41459E-02 -0.84093E-03 5843 0.178E-01 0.175E-01 RMM: 4 -0.327472901965E+03 0.27087E-03 -0.53225E-04 4649 0.505E-02 0.108E-01 RMM: 5 -0.327472811493E+03 0.90472E-04 -0.11000E-04 3882 0.291E-02 0.720E-02 RMM: 6 -0.327472829520E+03 -0.18027E-04 -0.74299E-05 3532 0.235E-02 8579 T= 6040. E= 0.67549416E+03 F= 0.62552524E+03 E0= 0.65485550E+03 EK= 0.49969E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327310447916E+03 0.16236E+00 -0.17932E-01 8460 0.238E+01 0.300E-01 RMM: 2 -0.327341643540E+03 -0.31196E-01 -0.12080E-01 5070 0.796E-01 0.176E+00 RMM: 3 -0.327320009343E+03 0.21634E-01 -0.15328E-02 5401 0.283E-01 0.296E-01 RMM: 4 -0.327319414253E+03 0.59509E-03 -0.16494E-03 4954 0.782E-02 0.110E-01 RMM: 5 -0.327319330728E+03 0.83525E-04 -0.18188E-04 3885 0.356E-02 0.972E-02 RMM: 6 -0.327319291922E+03 0.38806E-04 -0.65189E-05 3435 0.229E-02 0.807E-02 RMM: 7 -0.327319338201E+03 -0.46279E-04 -0.91289E-05 3801 0.260E-02 0.123E-01 RMM: 8 -0.327319233495E+03 0.10471E-03 -0.65150E-05 3397 0.214E-02 0.482E-02 RMM: 9 -0.327319223258E+03 0.10237E-04 -0.20755E-05 2563 0.131E-02 8580 T= 6429. E= 0.67875565E+03 F= 0.62557100E+03 E0= 0.65490843E+03 EK= 0.53185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326895859395E+03 0.42337E+00 -0.19843E-01 8700 0.246E+01 0.323E-01 RMM: 2 -0.326928677118E+03 -0.32818E-01 -0.13259E-01 5187 0.846E-01 0.181E+00 RMM: 3 -0.326906147853E+03 0.22529E-01 -0.15777E-02 5405 0.286E-01 0.309E-01 RMM: 4 -0.326905485712E+03 0.66214E-03 -0.18914E-03 4868 0.916E-02 0.132E-01 RMM: 5 -0.326905390733E+03 0.94980E-04 -0.26566E-04 3886 0.416E-02 0.114E-01 RMM: 6 -0.326905316372E+03 0.74361E-04 -0.72024E-05 3551 0.241E-02 0.569E-02 RMM: 7 -0.326905332343E+03 -0.15971E-04 -0.52203E-05 3201 0.206E-02 8581 T= 6803. E= 0.68216014E+03 F= 0.62588404E+03 E0= 0.65522004E+03 EK= 0.56276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326133166708E+03 0.77215E+00 -0.21090E-01 9000 0.252E+01 0.244E-01 RMM: 2 -0.326156587585E+03 -0.23421E-01 -0.12897E-01 5246 0.803E-01 0.135E+00 RMM: 3 -0.326143582495E+03 0.13005E-01 -0.12755E-02 5574 0.239E-01 0.229E-01 RMM: 4 -0.326143168257E+03 0.41424E-03 -0.10524E-03 4947 0.639E-02 0.110E-01 RMM: 5 -0.326143092816E+03 0.75441E-04 -0.12326E-04 3858 0.314E-02 0.967E-02 RMM: 6 -0.326143069930E+03 0.22886E-04 -0.52840E-05 3188 0.203E-02 0.989E-02 RMM: 7 -0.326143073784E+03 -0.38540E-05 -0.14362E-04 3886 0.304E-02 8582 T= 7006. E= 0.68451297E+03 F= 0.62655159E+03 E0= 0.65587823E+03 EK= 0.57961E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325007802878E+03 0.11353E+01 -0.21121E-01 8832 0.253E+01 0.188E-01 RMM: 2 -0.325023005351E+03 -0.15202E-01 -0.12414E-01 5227 0.768E-01 0.789E-01 RMM: 3 -0.325017974365E+03 0.50310E-02 -0.11024E-02 5827 0.207E-01 0.172E-01 RMM: 4 -0.325017735736E+03 0.23863E-03 -0.69354E-04 4769 0.567E-02 0.131E-01 RMM: 5 -0.325017635701E+03 0.10003E-03 -0.12551E-04 3868 0.304E-02 0.877E-02 RMM: 6 -0.325017610013E+03 0.25689E-04 -0.60172E-05 3350 0.215E-02 0.746E-02 RMM: 7 -0.325017620536E+03 -0.10524E-04 -0.86984E-05 3835 0.244E-02 8583 T= 6946. E= 0.68505020E+03 F= 0.62758706E+03 E0= 0.65689650E+03 EK= 0.57463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323597563258E+03 0.14200E+01 -0.21361E-01 8484 0.249E+01 0.245E-01 RMM: 2 -0.323617677113E+03 -0.20114E-01 -0.13993E-01 5185 0.841E-01 0.110E+00 RMM: 3 -0.323608746831E+03 0.89303E-02 -0.13369E-02 5783 0.242E-01 0.201E-01 RMM: 4 -0.323608433430E+03 0.31340E-03 -0.97505E-04 4826 0.662E-02 0.130E-01 RMM: 5 -0.323608375176E+03 0.58254E-04 -0.15368E-04 3876 0.317E-02 0.110E-01 RMM: 6 -0.323608306489E+03 0.68687E-04 -0.61037E-05 3340 0.225E-02 0.528E-02 RMM: 7 -0.323608340598E+03 -0.34109E-04 -0.51033E-05 3171 0.199E-02 0.938E-02 RMM: 8 -0.323608290998E+03 0.49600E-04 -0.48131E-05 2957 0.192E-02 0.414E-02 RMM: 9 -0.323608282066E+03 0.89322E-05 -0.17523E-05 2498 0.120E-02 8584 T= 6654. E= 0.68395793E+03 F= 0.62890982E+03 E0= 0.65819635E+03 EK= 0.55048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322049796449E+03 0.15585E+01 -0.20327E-01 8292 0.242E+01 0.203E-01 RMM: 2 -0.322065387267E+03 -0.15591E-01 -0.13979E-01 5335 0.824E-01 0.681E-01 RMM: 3 -0.322061334283E+03 0.40530E-02 -0.11614E-02 5884 0.209E-01 0.156E-01 RMM: 4 -0.322061329850E+03 0.44321E-05 -0.77691E-04 4717 0.654E-02 0.223E-01 RMM: 5 -0.322061002517E+03 0.32733E-03 -0.18492E-04 3891 0.348E-02 0.748E-02 RMM: 6 -0.322060972782E+03 0.29735E-04 -0.37119E-05 2993 0.183E-02 0.408E-02 RMM: 7 -0.322060981456E+03 -0.86738E-05 -0.29618E-05 2580 0.155E-02 8585 T= 6266. E= 0.68221305E+03 F= 0.63037319E+03 E0= 0.65963499E+03 EK= 0.51840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320527080442E+03 0.15339E+01 -0.18096E-01 8304 0.234E+01 0.253E-01 RMM: 2 -0.320544730982E+03 -0.17651E-01 -0.12422E-01 5321 0.798E-01 0.104E+00 RMM: 3 -0.320536912279E+03 0.78187E-02 -0.11373E-02 5790 0.220E-01 0.210E-01 RMM: 4 -0.320536685177E+03 0.22710E-03 -0.99211E-04 4699 0.695E-02 0.175E-01 RMM: 5 -0.320536522511E+03 0.16267E-03 -0.17000E-04 3886 0.322E-02 0.110E-01 RMM: 6 -0.320536453756E+03 0.68755E-04 -0.53990E-05 3263 0.217E-02 0.490E-02 RMM: 7 -0.320536480968E+03 -0.27212E-04 -0.51209E-05 3190 0.196E-02 0.879E-02 RMM: 8 -0.320536435204E+03 0.45764E-04 -0.54185E-05 3273 0.201E-02 0.308E-02 RMM: 9 -0.320536434555E+03 0.64932E-06 -0.16487E-05 2502 0.119E-02 8586 T= 5938. E= 0.68094150E+03 F= 0.63181655E+03 E0= 0.66105404E+03 EK= 0.49125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319160194465E+03 0.13762E+01 -0.16771E-01 7968 0.229E+01 0.236E-01 RMM: 2 -0.319174803663E+03 -0.14609E-01 -0.11206E-01 5281 0.761E-01 0.901E-01 RMM: 3 -0.319168908922E+03 0.58947E-02 -0.10420E-02 5850 0.202E-01 0.149E-01 RMM: 4 -0.319168916170E+03 -0.72477E-05 -0.85844E-04 4664 0.676E-02 0.215E-01 RMM: 5 -0.319168615268E+03 0.30090E-03 -0.18060E-04 3882 0.336E-02 0.939E-02 RMM: 6 -0.319168559440E+03 0.55827E-04 -0.51314E-05 3233 0.215E-02 0.345E-02 RMM: 7 -0.319168562444E+03 -0.30038E-05 -0.27938E-05 2569 0.152E-02 8587 T= 5781. E= 0.68093356E+03 F= 0.63310681E+03 E0= 0.66232315E+03 EK= 0.47827E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318041084532E+03 0.11275E+01 -0.16030E-01 7884 0.228E+01 0.212E-01 RMM: 2 -0.318053895665E+03 -0.12811E-01 -0.89591E-02 5339 0.691E-01 0.906E-01 RMM: 3 -0.318048185630E+03 0.57100E-02 -0.81223E-03 5802 0.183E-01 0.195E-01 RMM: 4 -0.318047919781E+03 0.26585E-03 -0.66279E-04 4682 0.571E-02 0.116E-01 RMM: 5 -0.318047833403E+03 0.86378E-04 -0.10021E-04 3761 0.236E-02 0.799E-02 RMM: 6 -0.318047804873E+03 0.28530E-04 -0.36052E-05 2984 0.184E-02 0.505E-02 RMM: 7 -0.318047825087E+03 -0.20213E-04 -0.49364E-05 3132 0.195E-02 0.842E-02 RMM: 8 -0.318047779159E+03 0.45927E-04 -0.32212E-05 2661 0.169E-02 0.247E-02 RMM: 9 -0.318047779825E+03 -0.66534E-06 -0.13119E-05 2465 0.102E-02 8588 T= 5848. E= 0.68253205E+03 F= 0.63415478E+03 E0= 0.66335196E+03 EK= 0.48377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317214430955E+03 0.83335E+00 -0.16801E-01 7812 0.230E+01 0.222E-01 RMM: 2 -0.317228656760E+03 -0.14226E-01 -0.10814E-01 5094 0.775E-01 0.900E-01 RMM: 3 -0.317223164870E+03 0.54919E-02 -0.11600E-02 5848 0.207E-01 0.122E-01 RMM: 4 -0.317223119695E+03 0.45176E-04 -0.78530E-04 4651 0.643E-02 0.198E-01 RMM: 5 -0.317222876630E+03 0.24306E-03 -0.16145E-04 3854 0.332E-02 0.827E-02 RMM: 6 -0.317222835648E+03 0.40982E-04 -0.51523E-05 3229 0.210E-02 0.388E-02 RMM: 7 -0.317222838270E+03 -0.26221E-05 -0.29435E-05 2572 0.167E-02 8589 T= 6133. E= 0.68565146E+03 F= 0.63491274E+03 E0= 0.66409210E+03 EK= 0.50739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316701495273E+03 0.52134E+00 -0.17221E-01 7752 0.236E+01 0.197E-01 RMM: 2 -0.316713674769E+03 -0.12179E-01 -0.90949E-02 5322 0.724E-01 0.852E-01 RMM: 3 -0.316708910154E+03 0.47646E-02 -0.85998E-03 5850 0.182E-01 0.176E-01 RMM: 4 -0.316708628069E+03 0.28208E-03 -0.55857E-04 4704 0.532E-02 0.112E-01 RMM: 5 -0.316708538679E+03 0.89390E-04 -0.93647E-05 3737 0.259E-02 0.734E-02 RMM: 6 -0.316708527604E+03 0.11075E-04 -0.37934E-05 2997 0.182E-02 8590 T= 6569. E= 0.68970886E+03 F= 0.63536632E+03 E0= 0.66452643E+03 EK= 0.54343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316481766033E+03 0.22677E+00 -0.19275E-01 7740 0.243E+01 0.295E-01 RMM: 2 -0.316511602941E+03 -0.29837E-01 -0.12539E-01 5068 0.859E-01 0.171E+00 RMM: 3 -0.316491907844E+03 0.19695E-01 -0.15081E-02 5399 0.279E-01 0.279E-01 RMM: 4 -0.316491386259E+03 0.52158E-03 -0.15095E-03 4806 0.786E-02 0.110E-01 RMM: 5 -0.316491311265E+03 0.74994E-04 -0.19174E-04 3885 0.351E-02 0.919E-02 RMM: 6 -0.316491268652E+03 0.42613E-04 -0.53580E-05 3224 0.212E-02 0.631E-02 RMM: 7 -0.316491291118E+03 -0.22466E-04 -0.54961E-05 3326 0.214E-02 0.934E-02 RMM: 8 -0.316491227081E+03 0.64037E-04 -0.43471E-05 2957 0.184E-02 0.404E-02 RMM: 9 -0.316491221903E+03 0.51787E-05 -0.21781E-05 2521 0.136E-02 8591 T= 7012. E= 0.69353625E+03 F= 0.63552885E+03 E0= 0.66466604E+03 EK= 0.58007E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316529600234E+03 -0.38373E-01 -0.19423E-01 7932 0.248E+01 0.310E-01 RMM: 2 -0.316555140527E+03 -0.25540E-01 -0.11137E-01 5261 0.831E-01 0.161E+00 RMM: 3 -0.316537976818E+03 0.17164E-01 -0.12649E-02 5444 0.258E-01 0.271E-01 RMM: 4 -0.316537621829E+03 0.35499E-03 -0.16252E-03 4756 0.906E-02 0.188E-01 RMM: 5 -0.316537438350E+03 0.18348E-03 -0.30322E-04 3962 0.453E-02 0.131E-01 RMM: 6 -0.316537333559E+03 0.10479E-03 -0.85700E-05 3646 0.269E-02 0.427E-02 RMM: 7 -0.316537346831E+03 -0.13272E-04 -0.34827E-05 2835 0.177E-02 8592 T= 7276. E= 0.69562873E+03 F= 0.63543301E+03 E0= 0.66454060E+03 EK= 0.60196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316793286802E+03 -0.25595E+00 -0.19583E-01 7788 0.248E+01 0.197E-01 RMM: 2 -0.316808803147E+03 -0.15516E-01 -0.91959E-02 5282 0.728E-01 0.105E+00 RMM: 3 -0.316800886212E+03 0.79169E-02 -0.86326E-03 5485 0.199E-01 0.190E-01 RMM: 4 -0.316800625580E+03 0.26063E-03 -0.67557E-04 4744 0.546E-02 0.919E-02 RMM: 5 -0.316800563821E+03 0.61759E-04 -0.89150E-05 3763 0.266E-02 0.761E-02 RMM: 6 -0.316800543382E+03 0.20438E-04 -0.28130E-05 2586 0.155E-02 0.718E-02 RMM: 7 -0.316800506380E+03 0.37003E-04 -0.10346E-04 3884 0.267E-02 0.688E-02 RMM: 8 -0.316800473692E+03 0.32687E-04 -0.33352E-05 2831 0.168E-02 0.305E-02 RMM: 9 -0.316800477568E+03 -0.38761E-05 -0.21994E-05 2513 0.127E-02 8593 T= 7231. E= 0.69494657E+03 F= 0.63512408E+03 E0= 0.66419560E+03 EK= 0.59822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317225806828E+03 -0.42533E+00 -0.18997E-01 7740 0.245E+01 0.193E-01 RMM: 2 -0.317237700730E+03 -0.11894E-01 -0.85774E-02 4953 0.710E-01 0.843E-01 RMM: 3 -0.317232732031E+03 0.49687E-02 -0.92615E-03 5734 0.199E-01 0.143E-01 RMM: 4 -0.317232652403E+03 0.79628E-04 -0.63750E-04 4618 0.605E-02 0.154E-01 RMM: 5 -0.317232510994E+03 0.14141E-03 -0.13088E-04 3822 0.326E-02 0.778E-02 RMM: 6 -0.317232474656E+03 0.36338E-04 -0.38636E-05 3022 0.193E-02 0.332E-02 RMM: 7 -0.317232480326E+03 -0.56702E-05 -0.18314E-05 2514 0.135E-02 8594 T= 6895. E= 0.69169040E+03 F= 0.63464915E+03 E0= 0.66367930E+03 EK= 0.57041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317784236585E+03 -0.55176E+00 -0.17524E-01 7788 0.239E+01 0.139E-01 RMM: 2 -0.317793293269E+03 -0.90567E-02 -0.82847E-02 4973 0.683E-01 0.502E-01 RMM: 3 -0.317791245747E+03 0.20475E-02 -0.85590E-03 5851 0.184E-01 0.115E-01 RMM: 4 -0.317791128588E+03 0.11716E-03 -0.36800E-04 4442 0.457E-02 0.103E-01 RMM: 5 -0.317791054793E+03 0.73796E-04 -0.66323E-05 3361 0.258E-02 0.556E-02 RMM: 6 -0.317791051268E+03 0.35245E-05 -0.31703E-05 2688 0.165E-02 8595 T= 6420. E= 0.68716446E+03 F= 0.63404991E+03 E0= 0.66303663E+03 EK= 0.53115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318434127826E+03 -0.64307E+00 -0.16773E-01 7788 0.232E+01 0.216E-01 RMM: 2 -0.318449426826E+03 -0.15299E-01 -0.76094E-02 4925 0.671E-01 0.115E+00 RMM: 3 -0.318440285852E+03 0.91410E-02 -0.96233E-03 5420 0.222E-01 0.188E-01 RMM: 4 -0.318440063303E+03 0.22255E-03 -0.79914E-04 4667 0.594E-02 0.866E-02 RMM: 5 -0.318440044308E+03 0.18996E-04 -0.99959E-05 3782 0.263E-02 8596 T= 5987. E= 0.68289346E+03 F= 0.63336248E+03 E0= 0.66230618E+03 EK= 0.49531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319137853966E+03 -0.69779E+00 -0.16319E-01 8088 0.228E+01 0.242E-01 RMM: 2 -0.319157851798E+03 -0.19998E-01 -0.82080E-02 4942 0.700E-01 0.141E+00 RMM: 3 -0.319144515635E+03 0.13336E-01 -0.10363E-02 5421 0.232E-01 0.255E-01 RMM: 4 -0.319144025063E+03 0.49057E-03 -0.10227E-03 4695 0.681E-02 0.805E-02 RMM: 5 -0.319144003960E+03 0.21103E-04 -0.12964E-04 3988 0.290E-02 0.765E-02 RMM: 6 -0.319143971267E+03 0.32693E-04 -0.28284E-05 2616 0.156E-02 0.516E-02 RMM: 7 -0.319143997659E+03 -0.26392E-04 -0.49883E-05 3196 0.196E-02 0.903E-02 RMM: 8 -0.319143947313E+03 0.50346E-04 -0.73857E-05 3865 0.219E-02 0.336E-02 RMM: 9 -0.319143941328E+03 0.59848E-05 -0.11226E-05 2476 0.100E-02 8597 T= 5720. E= 0.67994129E+03 F= 0.63262281E+03 E0= 0.66152691E+03 EK= 0.47318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319852230177E+03 -0.70828E+00 -0.16794E-01 7752 0.227E+01 0.207E-01 RMM: 2 -0.319864838236E+03 -0.12608E-01 -0.92036E-02 4716 0.739E-01 0.846E-01 RMM: 3 -0.319859790250E+03 0.50480E-02 -0.10874E-02 5671 0.212E-01 0.160E-01 RMM: 4 -0.319859723830E+03 0.66420E-04 -0.80815E-04 4701 0.651E-02 0.171E-01 RMM: 5 -0.319859571444E+03 0.15239E-03 -0.15737E-04 3804 0.320E-02 0.946E-02 RMM: 6 -0.319859515180E+03 0.56264E-04 -0.50813E-05 3211 0.214E-02 0.266E-02 RMM: 7 -0.319859521332E+03 -0.61516E-05 -0.16567E-05 2511 0.128E-02 8598 T= 5672. E= 0.67880147E+03 F= 0.63187484E+03 E0= 0.66074253E+03 EK= 0.46927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320524754831E+03 -0.66524E+00 -0.15605E-01 7848 0.230E+01 0.159E-01 RMM: 2 -0.320535067443E+03 -0.10313E-01 -0.73106E-02 5080 0.641E-01 0.780E-01 RMM: 3 -0.320530963109E+03 0.41043E-02 -0.77796E-03 5729 0.170E-01 0.162E-01 RMM: 4 -0.320530710481E+03 0.25263E-03 -0.47624E-04 4509 0.495E-02 0.725E-02 RMM: 5 -0.320530670940E+03 0.39541E-04 -0.70030E-05 3499 0.239E-02 0.502E-02 RMM: 6 -0.320530661748E+03 0.91917E-05 -0.21645E-05 2541 0.138E-02 8599 T= 5845. E= 0.67952756E+03 F= 0.63117534E+03 E0= 0.66001042E+03 EK= 0.48352E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321078675219E+03 -0.54800E+00 -0.16401E-01 7572 0.237E+01 0.207E-01 RMM: 2 -0.321093661524E+03 -0.14986E-01 -0.79213E-02 5081 0.665E-01 0.110E+00 RMM: 3 -0.321085267354E+03 0.83942E-02 -0.91745E-03 5449 0.203E-01 0.224E-01 RMM: 4 -0.321084895163E+03 0.37219E-03 -0.80129E-04 4686 0.593E-02 0.820E-02 RMM: 5 -0.321084858326E+03 0.36837E-04 -0.10655E-04 3829 0.264E-02 0.696E-02 RMM: 6 -0.321084832754E+03 0.25572E-04 -0.25954E-05 2594 0.153E-02 0.521E-02 RMM: 7 -0.321084844274E+03 -0.11520E-04 -0.30566E-05 2628 0.168E-02 8600 T= 6188. E= 0.68178607E+03 F= 0.63059717E+03 E0= 0.65940404E+03 EK= 0.51189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321433719972E+03 -0.34889E+00 -0.17070E-01 7692 0.245E+01 0.224E-01 RMM: 2 -0.321447177489E+03 -0.13458E-01 -0.73023E-02 5136 0.669E-01 0.107E+00 RMM: 3 -0.321439433897E+03 0.77436E-02 -0.82959E-03 5445 0.199E-01 0.229E-01 RMM: 4 -0.321439098778E+03 0.33512E-03 -0.93938E-04 4638 0.694E-02 0.113E-01 RMM: 5 -0.321439025677E+03 0.73102E-04 -0.16389E-04 3863 0.340E-02 0.783E-02 RMM: 6 -0.321438989611E+03 0.36066E-04 -0.32298E-05 2840 0.178E-02 0.327E-02 RMM: 7 -0.321438990888E+03 -0.12774E-05 -0.17917E-05 2505 0.128E-02 8601 T= 6598. E= 0.68480502E+03 F= 0.63022340E+03 E0= 0.65900517E+03 EK= 0.54582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321513471227E+03 -0.74482E-01 -0.18876E-01 7716 0.253E+01 0.178E-01 RMM: 2 -0.321526573028E+03 -0.13102E-01 -0.96524E-02 5080 0.735E-01 0.839E-01 RMM: 3 -0.321521648741E+03 0.49243E-02 -0.10120E-02 5733 0.191E-01 0.166E-01 RMM: 4 -0.321521367479E+03 0.28126E-03 -0.61245E-04 4662 0.557E-02 0.107E-01 RMM: 5 -0.321521290390E+03 0.77089E-04 -0.11103E-04 3771 0.291E-02 0.664E-02 RMM: 6 -0.321521265659E+03 0.24730E-04 -0.30378E-05 2735 0.165E-02 0.439E-02 RMM: 7 -0.321521256852E+03 0.88075E-05 -0.27811E-05 2545 0.153E-02 8602 T= 6926. E= 0.68742386E+03 F= 0.63012562E+03 E0= 0.65888432E+03 EK= 0.57298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321294817229E+03 0.22645E+00 -0.19341E-01 7908 0.257E+01 0.160E-01 RMM: 2 -0.321304674670E+03 -0.98574E-02 -0.80976E-02 5037 0.685E-01 0.662E-01 RMM: 3 -0.321301620645E+03 0.30540E-02 -0.86853E-03 5839 0.176E-01 0.140E-01 RMM: 4 -0.321301405021E+03 0.21562E-03 -0.46177E-04 4473 0.491E-02 0.980E-02 RMM: 5 -0.321301341774E+03 0.63247E-04 -0.80908E-05 3560 0.262E-02 0.568E-02 RMM: 6 -0.321301326855E+03 0.14919E-04 -0.23073E-05 2545 0.143E-02 8603 T= 7034. E= 0.68852209E+03 F= 0.63033379E+03 E0= 0.65907022E+03 EK= 0.58188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320810253358E+03 0.49109E+00 -0.19311E-01 7824 0.256E+01 0.181E-01 RMM: 2 -0.320823264578E+03 -0.13011E-01 -0.81030E-02 5031 0.673E-01 0.958E-01 RMM: 3 -0.320816981702E+03 0.62829E-02 -0.86052E-03 5504 0.194E-01 0.181E-01 RMM: 4 -0.320816751904E+03 0.22980E-03 -0.65004E-04 4650 0.545E-02 0.814E-02 RMM: 5 -0.320816705821E+03 0.46082E-04 -0.86447E-05 3693 0.243E-02 0.607E-02 RMM: 6 -0.320816687444E+03 0.18378E-04 -0.22196E-05 2549 0.141E-02 8604 T= 6875. E= 0.68768703E+03 F= 0.63081019E+03 E0= 0.65952467E+03 EK= 0.56877E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320163866213E+03 0.65284E+00 -0.18467E-01 7680 0.250E+01 0.269E-01 RMM: 2 -0.320186417388E+03 -0.22551E-01 -0.84622E-02 5028 0.712E-01 0.151E+00 RMM: 3 -0.320170532889E+03 0.15884E-01 -0.11155E-02 5386 0.246E-01 0.261E-01 RMM: 4 -0.320170029219E+03 0.50367E-03 -0.12145E-03 4677 0.734E-02 0.815E-02 RMM: 5 -0.320170006637E+03 0.22582E-04 -0.14767E-04 4014 0.283E-02 0.823E-02 RMM: 6 -0.320169964150E+03 0.42488E-04 -0.27825E-05 2671 0.162E-02 0.430E-02 RMM: 7 -0.320169970789E+03 -0.66392E-05 -0.21390E-05 2527 0.141E-02 8605 T= 6532. E= 0.68548935E+03 F= 0.63145213E+03 E0= 0.66014413E+03 EK= 0.54037E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319490565381E+03 0.67940E+00 -0.18007E-01 7548 0.242E+01 0.237E-01 RMM: 2 -0.319506204185E+03 -0.15639E-01 -0.10151E-01 4901 0.769E-01 0.103E+00 RMM: 3 -0.319498808017E+03 0.73962E-02 -0.11907E-02 5490 0.233E-01 0.232E-01 RMM: 4 -0.319498450318E+03 0.35770E-03 -0.11102E-03 4733 0.733E-02 0.124E-01 RMM: 5 -0.319498405004E+03 0.45315E-04 -0.18635E-04 3870 0.350E-02 0.996E-02 RMM: 6 -0.319498342192E+03 0.62811E-04 -0.48646E-05 3220 0.208E-02 0.282E-02 RMM: 7 -0.319498346088E+03 -0.38959E-05 -0.15130E-05 2490 0.121E-02 8606 T= 6156. E= 0.68305174E+03 F= 0.63212263E+03 E0= 0.66079205E+03 EK= 0.50929E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318924598254E+03 0.57374E+00 -0.16478E-01 7392 0.235E+01 0.192E-01 RMM: 2 -0.318938098497E+03 -0.13500E-01 -0.87971E-02 5012 0.712E-01 0.949E-01 RMM: 3 -0.318932003850E+03 0.60946E-02 -0.98128E-03 5627 0.198E-01 0.149E-01 RMM: 4 -0.318931816570E+03 0.18728E-03 -0.66661E-04 4652 0.572E-02 0.121E-01 RMM: 5 -0.318931722828E+03 0.93742E-04 -0.10556E-04 3734 0.277E-02 0.682E-02 RMM: 6 -0.318931695779E+03 0.27048E-04 -0.25566E-05 2567 0.151E-02 0.427E-02 RMM: 7 -0.318931692559E+03 0.32208E-05 -0.22617E-05 2529 0.139E-02 8607 T= 5888. E= 0.68139962E+03 F= 0.63269201E+03 E0= 0.66134207E+03 EK= 0.48708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318561553024E+03 0.37014E+00 -0.15509E-01 7848 0.231E+01 0.172E-01 RMM: 2 -0.318572250408E+03 -0.10697E-01 -0.71862E-02 5023 0.651E-01 0.825E-01 RMM: 3 -0.318567556288E+03 0.46941E-02 -0.79060E-03 5621 0.180E-01 0.167E-01 RMM: 4 -0.318567322740E+03 0.23355E-03 -0.55879E-04 4577 0.523E-02 0.797E-02 RMM: 5 -0.318567296447E+03 0.26292E-04 -0.86709E-05 3638 0.251E-02 0.668E-02 RMM: 6 -0.318567272672E+03 0.23775E-04 -0.24572E-05 2618 0.152E-02 0.358E-02 RMM: 7 -0.318567278107E+03 -0.54345E-05 -0.15956E-05 2503 0.122E-02 8608 T= 5811. E= 0.68113553E+03 F= 0.63306319E+03 E0= 0.66169741E+03 EK= 0.48072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318454719502E+03 0.11255E+00 -0.15498E-01 7716 0.230E+01 0.174E-01 RMM: 2 -0.318466512690E+03 -0.11793E-01 -0.88709E-02 4922 0.707E-01 0.790E-01 RMM: 3 -0.318462251944E+03 0.42607E-02 -0.10127E-02 5841 0.187E-01 0.147E-01 RMM: 4 -0.318462038926E+03 0.21302E-03 -0.60695E-04 4603 0.575E-02 0.122E-01 RMM: 5 -0.318461952091E+03 0.86835E-04 -0.10398E-04 3661 0.277E-02 0.652E-02 RMM: 6 -0.318461926596E+03 0.25495E-04 -0.24995E-05 2607 0.152E-02 0.289E-02 RMM: 7 -0.318461927404E+03 -0.80780E-06 -0.14102E-05 2485 0.114E-02 8609 T= 5952. E= 0.68241843E+03 F= 0.63317926E+03 E0= 0.66180478E+03 EK= 0.49239E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318621576949E+03 -0.15965E+00 -0.15727E-01 8088 0.234E+01 0.169E-01 RMM: 2 -0.318632871555E+03 -0.11295E-01 -0.85195E-02 4879 0.706E-01 0.763E-01 RMM: 3 -0.318628913694E+03 0.39579E-02 -0.99715E-03 5781 0.191E-01 0.155E-01 RMM: 4 -0.318628662089E+03 0.25161E-03 -0.58902E-04 4626 0.546E-02 0.887E-02 RMM: 5 -0.318628626914E+03 0.35174E-04 -0.95307E-05 3635 0.263E-02 0.717E-02 RMM: 6 -0.318628596684E+03 0.30231E-04 -0.27683E-05 2679 0.160E-02 0.334E-02 RMM: 7 -0.318628599521E+03 -0.28371E-05 -0.16048E-05 2499 0.122E-02 8610 T= 6280. E= 0.68497662E+03 F= 0.63302702E+03 E0= 0.66165255E+03 EK= 0.51950E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319030033625E+03 -0.40144E+00 -0.17171E-01 7704 0.239E+01 0.201E-01 RMM: 2 -0.319044373073E+03 -0.14339E-01 -0.10084E-01 4891 0.766E-01 0.928E-01 RMM: 3 -0.319038574652E+03 0.57984E-02 -0.11795E-02 5724 0.210E-01 0.190E-01 RMM: 4 -0.319038238697E+03 0.33595E-03 -0.80831E-04 4659 0.634E-02 0.101E-01 RMM: 5 -0.319038192451E+03 0.46246E-04 -0.12546E-04 3792 0.285E-02 0.737E-02 RMM: 6 -0.319038158904E+03 0.33547E-04 -0.27371E-05 2633 0.157E-02 0.286E-02 RMM: 7 -0.319038159585E+03 -0.68107E-06 -0.13117E-05 2487 0.114E-02 8611 T= 6698. E= 0.68804479E+03 F= 0.63263525E+03 E0= 0.66127176E+03 EK= 0.55410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319622870290E+03 -0.58471E+00 -0.18222E-01 7800 0.245E+01 0.176E-01 RMM: 2 -0.319634823390E+03 -0.11953E-01 -0.96115E-02 4981 0.747E-01 0.747E-01 RMM: 3 -0.319631079594E+03 0.37438E-02 -0.10820E-02 5861 0.194E-01 0.149E-01 RMM: 4 -0.319630836063E+03 0.24353E-03 -0.61298E-04 4642 0.571E-02 0.119E-01 RMM: 5 -0.319630751350E+03 0.84713E-04 -0.11522E-04 3758 0.289E-02 0.736E-02 RMM: 6 -0.319630718744E+03 0.32605E-04 -0.31060E-05 2812 0.168E-02 0.362E-02 RMM: 7 -0.319630714459E+03 0.42856E-05 -0.20018E-05 2508 0.134E-02 8612 T= 7052. E= 0.69039853E+03 F= 0.63206365E+03 E0= 0.66072204E+03 EK= 0.58335E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320322592631E+03 -0.69187E+00 -0.19251E-01 7704 0.249E+01 0.197E-01 RMM: 2 -0.320336636561E+03 -0.14044E-01 -0.10173E-01 4998 0.772E-01 0.912E-01 RMM: 3 -0.320331179355E+03 0.54572E-02 -0.11432E-02 5771 0.205E-01 0.186E-01 RMM: 4 -0.320330850829E+03 0.32853E-03 -0.75607E-04 4655 0.625E-02 0.103E-01 RMM: 5 -0.320330790670E+03 0.60159E-04 -0.12139E-04 3774 0.280E-02 0.716E-02 RMM: 6 -0.320330761848E+03 0.28822E-04 -0.26651E-05 2612 0.155E-02 0.342E-02 RMM: 7 -0.320330762968E+03 -0.11205E-05 -0.16277E-05 2498 0.122E-02 8613 T= 7182. E= 0.69080014E+03 F= 0.63138779E+03 E0= 0.66007877E+03 EK= 0.59412E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321068219380E+03 -0.73746E+00 -0.18674E-01 7764 0.248E+01 0.169E-01 RMM: 2 -0.321078859893E+03 -0.10641E-01 -0.88147E-02 5036 0.710E-01 0.690E-01 RMM: 3 -0.321075675014E+03 0.31849E-02 -0.96908E-03 5874 0.182E-01 0.134E-01 RMM: 4 -0.321075499042E+03 0.17597E-03 -0.52241E-04 4560 0.535E-02 0.122E-01 RMM: 5 -0.321075407418E+03 0.91624E-04 -0.95346E-05 3600 0.261E-02 0.703E-02 RMM: 6 -0.321075379310E+03 0.28107E-04 -0.28189E-05 2740 0.163E-02 0.326E-02 RMM: 7 -0.321075382198E+03 -0.28877E-05 -0.17806E-05 2508 0.126E-02 8614 T= 7022. E= 0.68876566E+03 F= 0.63067099E+03 E0= 0.65940214E+03 EK= 0.58095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321827885106E+03 -0.75251E+00 -0.18592E-01 7788 0.243E+01 0.177E-01 RMM: 2 -0.321840776120E+03 -0.12891E-01 -0.10154E-01 4917 0.764E-01 0.792E-01 RMM: 3 -0.321836573610E+03 0.42025E-02 -0.11608E-02 5921 0.200E-01 0.155E-01 RMM: 4 -0.321836279668E+03 0.29394E-03 -0.60686E-04 4654 0.576E-02 0.958E-02 RMM: 5 -0.321836238429E+03 0.41239E-04 -0.96194E-05 3616 0.262E-02 0.722E-02 RMM: 6 -0.321836209845E+03 0.28584E-04 -0.27702E-05 2671 0.162E-02 0.335E-02 RMM: 7 -0.321836216994E+03 -0.71486E-05 -0.17358E-05 2508 0.127E-02 8615 T= 6649. E= 0.68494427E+03 F= 0.62994221E+03 E0= 0.65871874E+03 EK= 0.55002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322614438639E+03 -0.77823E+00 -0.17078E-01 7788 0.236E+01 0.165E-01 RMM: 2 -0.322624909565E+03 -0.10471E-01 -0.84225E-02 5006 0.691E-01 0.696E-01 RMM: 3 -0.322621593661E+03 0.33159E-02 -0.94824E-03 5852 0.181E-01 0.128E-01 RMM: 4 -0.322621403524E+03 0.19014E-03 -0.49419E-04 4526 0.507E-02 0.102E-01 RMM: 5 -0.322621347721E+03 0.55804E-04 -0.83226E-05 3556 0.258E-02 0.691E-02 RMM: 6 -0.322621322245E+03 0.25475E-04 -0.29489E-05 2750 0.166E-02 0.353E-02 RMM: 7 -0.322621332248E+03 -0.10002E-04 -0.22006E-05 2537 0.142E-02 8616 T= 6221. E= 0.68065547E+03 F= 0.62919398E+03 E0= 0.65801747E+03 EK= 0.51461E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323451413130E+03 -0.83009E+00 -0.16280E-01 7740 0.230E+01 0.167E-01 RMM: 2 -0.323462627629E+03 -0.11214E-01 -0.84611E-02 5038 0.687E-01 0.772E-01 RMM: 3 -0.323458638319E+03 0.39893E-02 -0.94007E-03 5829 0.179E-01 0.145E-01 RMM: 4 -0.323458402192E+03 0.23613E-03 -0.52631E-04 4505 0.529E-02 0.918E-02 RMM: 5 -0.323458362436E+03 0.39756E-04 -0.87050E-05 3598 0.256E-02 0.705E-02 RMM: 6 -0.323458337486E+03 0.24950E-04 -0.28473E-05 2705 0.164E-02 0.386E-02 RMM: 7 -0.323458350054E+03 -0.12568E-04 -0.21984E-05 2542 0.141E-02 8617 T= 5889. E= 0.67711925E+03 F= 0.62839898E+03 E0= 0.65726895E+03 EK= 0.48720E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324368784616E+03 -0.91045E+00 -0.15039E-01 7896 0.226E+01 0.162E-01 RMM: 2 -0.324377394995E+03 -0.86104E-02 -0.65169E-02 5093 0.603E-01 0.691E-01 RMM: 3 -0.324374157203E+03 0.32378E-02 -0.69474E-03 5743 0.162E-01 0.126E-01 RMM: 4 -0.324374016158E+03 0.14104E-03 -0.42842E-04 4330 0.466E-02 0.102E-01 RMM: 5 -0.324373963123E+03 0.53035E-04 -0.76768E-05 3549 0.253E-02 0.681E-02 RMM: 6 -0.324373937929E+03 0.25193E-04 -0.27820E-05 2742 0.162E-02 0.344E-02 RMM: 7 -0.324373950482E+03 -0.12552E-04 -0.22127E-05 2545 0.141E-02 8618 T= 5746. E= 0.67506233E+03 F= 0.62753038E+03 E0= 0.65644427E+03 EK= 0.47532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325374742696E+03 -0.10008E+01 -0.15040E-01 8052 0.226E+01 0.162E-01 RMM: 2 -0.325382821311E+03 -0.80786E-02 -0.59846E-02 5154 0.582E-01 0.697E-01 RMM: 3 -0.325379623400E+03 0.31979E-02 -0.61884E-03 5773 0.152E-01 0.131E-01 RMM: 4 -0.325379504643E+03 0.11876E-03 -0.43163E-04 4333 0.485E-02 0.115E-01 RMM: 5 -0.325379432366E+03 0.72278E-04 -0.81861E-05 3532 0.253E-02 0.687E-02 RMM: 6 -0.325379405593E+03 0.26773E-04 -0.25693E-05 2666 0.158E-02 0.321E-02 RMM: 7 -0.325379413562E+03 -0.79687E-05 -0.17776E-05 2514 0.125E-02 8619 T= 5820. E= 0.67472406E+03 F= 0.62657628E+03 E0= 0.65552987E+03 EK= 0.48148E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326456256435E+03 -0.10769E+01 -0.15875E-01 8244 0.230E+01 0.172E-01 RMM: 2 -0.326464161422E+03 -0.79050E-02 -0.60298E-02 5216 0.581E-01 0.685E-01 RMM: 3 -0.326461005955E+03 0.31555E-02 -0.58269E-03 5644 0.153E-01 0.125E-01 RMM: 4 -0.326460951427E+03 0.54528E-04 -0.46781E-04 4356 0.493E-02 0.141E-01 RMM: 5 -0.326460834782E+03 0.11664E-03 -0.97635E-05 3697 0.279E-02 0.693E-02 RMM: 6 -0.326460804497E+03 0.30285E-04 -0.24300E-05 2656 0.153E-02 0.267E-02 RMM: 7 -0.326460808322E+03 -0.38252E-05 -0.16429E-05 2495 0.120E-02 8620 T= 6091. E= 0.67593806E+03 F= 0.62554970E+03 E0= 0.65453642E+03 EK= 0.50388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327571233674E+03 -0.11104E+01 -0.17018E-01 8184 0.237E+01 0.182E-01 RMM: 2 -0.327579903036E+03 -0.86694E-02 -0.67895E-02 5210 0.624E-01 0.703E-01 RMM: 3 -0.327576660658E+03 0.32424E-02 -0.66141E-03 5754 0.158E-01 0.141E-01 RMM: 4 -0.327576584102E+03 0.76555E-04 -0.55548E-04 4579 0.564E-02 0.161E-01 RMM: 5 -0.327576421084E+03 0.16302E-03 -0.13085E-04 3840 0.307E-02 0.674E-02 RMM: 6 -0.327576393241E+03 0.27843E-04 -0.24240E-05 2669 0.154E-02 0.311E-02 RMM: 7 -0.327576392748E+03 0.49341E-06 -0.15054E-05 2488 0.112E-02 8621 T= 6482. E= 0.67811182E+03 F= 0.62449156E+03 E0= 0.65350154E+03 EK= 0.53620E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328653781802E+03 -0.10774E+01 -0.18200E-01 8064 0.245E+01 0.194E-01 RMM: 2 -0.328662363954E+03 -0.85822E-02 -0.67653E-02 5297 0.625E-01 0.714E-01 RMM: 3 -0.328659037152E+03 0.33268E-02 -0.61234E-03 5711 0.157E-01 0.137E-01 RMM: 4 -0.328659024659E+03 0.12494E-04 -0.56148E-04 4570 0.560E-02 0.184E-01 RMM: 5 -0.328658804008E+03 0.22065E-03 -0.14519E-04 3864 0.329E-02 0.667E-02 RMM: 6 -0.328658776513E+03 0.27495E-04 -0.24280E-05 2666 0.154E-02 0.325E-02 RMM: 7 -0.328658773015E+03 0.34976E-05 -0.21420E-05 2514 0.132E-02 8622 T= 6859. E= 0.68021147E+03 F= 0.62346888E+03 E0= 0.65248917E+03 EK= 0.56743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329625623107E+03 -0.96685E+00 -0.19124E-01 7824 0.251E+01 0.196E-01 RMM: 2 -0.329635282145E+03 -0.96590E-02 -0.77758E-02 5239 0.673E-01 0.725E-01 RMM: 3 -0.329631804285E+03 0.34779E-02 -0.73331E-03 5790 0.164E-01 0.137E-01 RMM: 4 -0.329631780226E+03 0.24059E-04 -0.63304E-04 4608 0.618E-02 0.192E-01 RMM: 5 -0.329631530808E+03 0.24942E-03 -0.16903E-04 3866 0.350E-02 0.571E-02 RMM: 6 -0.329631512705E+03 0.18102E-04 -0.23382E-05 2641 0.149E-02 8623 T= 7068. E= 0.68102933E+03 F= 0.62255835E+03 E0= 0.65157247E+03 EK= 0.58471E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330429523123E+03 -0.79799E+00 -0.20230E-01 7884 0.252E+01 0.212E-01 RMM: 2 -0.330443454258E+03 -0.13931E-01 -0.78258E-02 5245 0.663E-01 0.106E+00 RMM: 3 -0.330435652463E+03 0.78018E-02 -0.74851E-03 5462 0.187E-01 0.176E-01 RMM: 4 -0.330435517661E+03 0.13480E-03 -0.76150E-04 4631 0.621E-02 0.145E-01 RMM: 5 -0.330435384079E+03 0.13358E-03 -0.13960E-04 3871 0.306E-02 0.771E-02 RMM: 6 -0.330435349324E+03 0.34755E-04 -0.35738E-05 2971 0.184E-02 0.453E-02 RMM: 7 -0.330435365119E+03 -0.15796E-04 -0.47723E-05 3133 0.196E-02 8624 T= 7011. E= 0.67982173E+03 F= 0.62182005E+03 E0= 0.65081172E+03 EK= 0.58002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331045649151E+03 -0.61030E+00 -0.19601E-01 7656 0.249E+01 0.226E-01 RMM: 2 -0.331058287803E+03 -0.12639E-01 -0.78668E-02 5095 0.691E-01 0.985E-01 RMM: 3 -0.331051721356E+03 0.65664E-02 -0.85517E-03 5518 0.199E-01 0.203E-01 RMM: 4 -0.331051576898E+03 0.14446E-03 -0.92499E-04 4659 0.709E-02 0.170E-01 RMM: 5 -0.331051406502E+03 0.17040E-03 -0.16640E-04 3869 0.341E-02 0.777E-02 RMM: 6 -0.331051368760E+03 0.37742E-04 -0.32540E-05 2935 0.181E-02 0.286E-02 RMM: 7 -0.331051376345E+03 -0.75848E-05 -0.16936E-05 2505 0.123E-02 8625 T= 6716. E= 0.67683336E+03 F= 0.62127412E+03 E0= 0.65022825E+03 EK= 0.55559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331497489508E+03 -0.44612E+00 -0.18923E-01 7680 0.243E+01 0.202E-01 RMM: 2 -0.331511228561E+03 -0.13739E-01 -0.87874E-02 5016 0.717E-01 0.974E-01 RMM: 3 -0.331504689738E+03 0.65388E-02 -0.97283E-03 5575 0.205E-01 0.180E-01 RMM: 4 -0.331504426844E+03 0.26289E-03 -0.67014E-04 4666 0.586E-02 0.104E-01 RMM: 5 -0.331504372423E+03 0.54421E-04 -0.11774E-04 3866 0.302E-02 0.856E-02 RMM: 6 -0.331504329982E+03 0.42441E-04 -0.46340E-05 3127 0.203E-02 0.492E-02 RMM: 7 -0.331504358546E+03 -0.28564E-04 -0.48781E-05 3149 0.195E-02 0.898E-02 RMM: 8 -0.331504305470E+03 0.53076E-04 -0.39704E-05 2706 0.181E-02 0.304E-02 RMM: 9 -0.331504301873E+03 0.35975E-05 -0.13764E-05 2466 0.106E-02 8626 T= 6313. E= 0.67312621E+03 F= 0.62089683E+03 E0= 0.64980265E+03 EK= 0.52229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331836021893E+03 -0.33172E+00 -0.17845E-01 7656 0.236E+01 0.166E-01 RMM: 2 -0.331845536361E+03 -0.95145E-02 -0.77840E-02 4983 0.677E-01 0.666E-01 RMM: 3 -0.331842495099E+03 0.30413E-02 -0.82525E-03 5766 0.177E-01 0.129E-01 RMM: 4 -0.331842400811E+03 0.94288E-04 -0.49401E-04 4543 0.551E-02 0.142E-01 RMM: 5 -0.331842268922E+03 0.13189E-03 -0.11924E-04 3873 0.327E-02 0.587E-02 RMM: 6 -0.331842260684E+03 0.82384E-05 -0.39672E-05 3022 0.188E-02 8627 T= 5956. E= 0.66990950E+03 F= 0.62064055E+03 E0= 0.64949299E+03 EK= 0.49269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332109013152E+03 -0.26674E+00 -0.16823E-01 7560 0.231E+01 0.230E-01 RMM: 2 -0.332124384653E+03 -0.15372E-01 -0.68616E-02 5145 0.636E-01 0.121E+00 RMM: 3 -0.332114382200E+03 0.10002E-01 -0.81902E-03 5360 0.207E-01 0.214E-01 RMM: 4 -0.332114092182E+03 0.29002E-03 -0.79469E-04 4623 0.594E-02 0.969E-02 RMM: 5 -0.332114042802E+03 0.49380E-04 -0.13246E-04 3876 0.320E-02 0.889E-02 RMM: 6 -0.332114009021E+03 0.33781E-04 -0.58807E-05 3333 0.222E-02 0.643E-02 RMM: 7 -0.332114056320E+03 -0.47299E-04 -0.74512E-05 3697 0.240E-02 0.105E-01 RMM: 8 -0.332113985227E+03 0.71092E-04 -0.37454E-05 3038 0.185E-02 0.338E-02 RMM: 9 -0.332113981631E+03 0.35964E-05 -0.13015E-05 2483 0.105E-02 8628 T= 5751. E= 0.66803373E+03 F= 0.62045622E+03 E0= 0.64925336E+03 EK= 0.47578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332345688686E+03 -0.23170E+00 -0.16328E-01 7536 0.230E+01 0.262E-01 RMM: 2 -0.332364004590E+03 -0.18316E-01 -0.70105E-02 4996 0.666E-01 0.139E+00 RMM: 3 -0.332350848383E+03 0.13156E-01 -0.94146E-03 5361 0.226E-01 0.221E-01 RMM: 4 -0.332350548349E+03 0.30003E-03 -0.10982E-03 4690 0.739E-02 0.112E-01 RMM: 5 -0.332350535693E+03 0.12657E-04 -0.15792E-04 3865 0.321E-02 8629 T= 5751. E= 0.66788994E+03 F= 0.62031158E+03 E0= 0.64905643E+03 EK= 0.47578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332549574784E+03 -0.19903E+00 -0.16672E-01 7548 0.232E+01 0.184E-01 RMM: 2 -0.332558397111E+03 -0.88223E-02 -0.63579E-02 5173 0.598E-01 0.740E-01 RMM: 3 -0.332554673700E+03 0.37234E-02 -0.61204E-03 5464 0.161E-01 0.163E-01 RMM: 4 -0.332554584477E+03 0.89223E-04 -0.57800E-04 4583 0.565E-02 0.142E-01 RMM: 5 -0.332554448136E+03 0.13634E-03 -0.13470E-04 3879 0.289E-02 0.828E-02 RMM: 6 -0.332554430167E+03 0.17969E-04 -0.69131E-05 3456 0.232E-02 8630 T= 5956. E= 0.66947275E+03 F= 0.62020250E+03 E0= 0.64889817E+03 EK= 0.49270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332698238963E+03 -0.14379E+00 -0.17620E-01 7392 0.238E+01 0.331E-01 RMM: 2 -0.332725098198E+03 -0.26859E-01 -0.78935E-02 4964 0.701E-01 0.177E+00 RMM: 3 -0.332703784933E+03 0.21313E-01 -0.13162E-02 5342 0.280E-01 0.312E-01 RMM: 4 -0.332703180451E+03 0.60448E-03 -0.15792E-03 4810 0.841E-02 0.129E-01 RMM: 5 -0.332703167715E+03 0.12735E-04 -0.22745E-04 3885 0.363E-02 0.133E-01 RMM: 6 -0.332703053633E+03 0.11408E-03 -0.69133E-05 3445 0.246E-02 0.393E-02 RMM: 7 -0.332703055317E+03 -0.16841E-05 -0.20178E-05 2526 0.136E-02 8631 T= 6314. E= 0.67238206E+03 F= 0.62015004E+03 E0= 0.64880414E+03 EK= 0.52232E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332750282142E+03 -0.47229E-01 -0.18569E-01 7620 0.245E+01 0.363E-01 RMM: 2 -0.332782916705E+03 -0.32635E-01 -0.10450E-01 5014 0.804E-01 0.193E+00 RMM: 3 -0.332757972149E+03 0.24945E-01 -0.15748E-02 5351 0.303E-01 0.360E-01 RMM: 4 -0.332757090108E+03 0.88204E-03 -0.20894E-03 5020 0.990E-02 0.133E-01 RMM: 5 -0.332757120928E+03 -0.30820E-04 -0.29532E-04 3905 0.406E-02 0.161E-01 RMM: 6 -0.332756940212E+03 0.18072E-03 -0.94063E-05 3698 0.280E-02 0.410E-02 RMM: 7 -0.332756935296E+03 0.49158E-05 -0.19729E-05 2554 0.127E-02 8632 T= 6718. E= 0.67576479E+03 F= 0.62019279E+03 E0= 0.64881422E+03 EK= 0.55572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332670716704E+03 0.86224E-01 -0.19976E-01 7680 0.250E+01 0.270E-01 RMM: 2 -0.332690041743E+03 -0.19325E-01 -0.10435E-01 4979 0.771E-01 0.126E+00 RMM: 3 -0.332679020003E+03 0.11022E-01 -0.12592E-02 5429 0.244E-01 0.218E-01 RMM: 4 -0.332678842608E+03 0.17739E-03 -0.12596E-03 4744 0.762E-02 0.176E-01 RMM: 5 -0.332678692241E+03 0.15037E-03 -0.21336E-04 3877 0.359E-02 0.114E-01 RMM: 6 -0.332678608137E+03 0.84104E-04 -0.64251E-05 3390 0.233E-02 0.391E-02 RMM: 7 -0.332678614016E+03 -0.58789E-05 -0.22043E-05 2546 0.144E-02 8633 T= 7016. E= 0.67841134E+03 F= 0.62036834E+03 E0= 0.64896745E+03 EK= 0.58043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332445720508E+03 0.23289E+00 -0.21403E-01 7656 0.252E+01 0.239E-01 RMM: 2 -0.332464795414E+03 -0.19075E-01 -0.15035E-01 4876 0.907E-01 0.943E-01 RMM: 3 -0.332458366465E+03 0.64289E-02 -0.17291E-02 5866 0.245E-01 0.189E-01 RMM: 4 -0.332458054172E+03 0.31229E-03 -0.11391E-03 4874 0.782E-02 0.182E-01 RMM: 5 -0.332457876986E+03 0.17719E-03 -0.21178E-04 3897 0.364E-02 0.100E-01 RMM: 6 -0.332457814116E+03 0.62870E-04 -0.54039E-05 3274 0.214E-02 0.388E-02 RMM: 7 -0.332457824243E+03 -0.10127E-04 -0.23587E-05 2562 0.143E-02 8634 T= 7080. E= 0.67925627E+03 F= 0.62068801E+03 E0= 0.64927705E+03 EK= 0.58568E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332115116072E+03 0.34270E+00 -0.21181E-01 7824 0.250E+01 0.197E-01 RMM: 2 -0.332130243981E+03 -0.15128E-01 -0.12665E-01 4894 0.816E-01 0.756E-01 RMM: 3 -0.332126024682E+03 0.42193E-02 -0.14238E-02 5901 0.218E-01 0.152E-01 RMM: 4 -0.332125839803E+03 0.18488E-03 -0.79100E-04 4690 0.671E-02 0.174E-01 RMM: 5 -0.332125656480E+03 0.18332E-03 -0.15437E-04 3893 0.334E-02 0.795E-02 RMM: 6 -0.332125624297E+03 0.32183E-04 -0.49506E-05 3188 0.204E-02 0.460E-02 RMM: 7 -0.332125643802E+03 -0.19504E-04 -0.37254E-05 2806 0.183E-02 8635 T= 6881. E= 0.67804409E+03 F= 0.62112238E+03 E0= 0.64971286E+03 EK= 0.56922E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331740920066E+03 0.38470E+00 -0.20284E-01 7884 0.244E+01 0.194E-01 RMM: 2 -0.331753417833E+03 -0.12498E-01 -0.10171E-01 4953 0.742E-01 0.751E-01 RMM: 3 -0.331749297096E+03 0.41207E-02 -0.11272E-02 5906 0.206E-01 0.144E-01 RMM: 4 -0.331749133244E+03 0.16385E-03 -0.64100E-04 4659 0.588E-02 0.148E-01 RMM: 5 -0.331749000667E+03 0.13258E-03 -0.13951E-04 3873 0.326E-02 0.814E-02 RMM: 6 -0.331748974017E+03 0.26651E-04 -0.61617E-05 3363 0.226E-02 0.558E-02 RMM: 7 -0.331748995338E+03 -0.21322E-04 -0.42232E-05 3003 0.194E-02 0.810E-02 RMM: 8 -0.331748956407E+03 0.38931E-04 -0.26259E-05 2615 0.163E-02 0.234E-02 RMM: 9 -0.331748956871E+03 -0.46373E-06 -0.87597E-06 2455 0.837E-03 8636 T= 6515. E= 0.67549987E+03 F= 0.62160619E+03 E0= 0.65020891E+03 EK= 0.53894E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331396045354E+03 0.35291E+00 -0.18983E-01 8304 0.237E+01 0.164E-01 RMM: 2 -0.331405881987E+03 -0.98366E-02 -0.82912E-02 5197 0.649E-01 0.628E-01 RMM: 3 -0.331402571376E+03 0.33106E-02 -0.71517E-03 5953 0.168E-01 0.137E-01 RMM: 4 -0.331402462950E+03 0.10843E-03 -0.48108E-04 4484 0.533E-02 0.135E-01 RMM: 5 -0.331402346815E+03 0.11614E-03 -0.13042E-04 3867 0.328E-02 0.705E-02 RMM: 6 -0.331402331755E+03 0.15060E-04 -0.53411E-05 3260 0.213E-02 8637 T= 6134. E= 0.67281440E+03 F= 0.62206585E+03 E0= 0.65068976E+03 EK= 0.50749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331136396842E+03 0.26595E+00 -0.18117E-01 8136 0.231E+01 0.283E-01 RMM: 2 -0.331158789514E+03 -0.22393E-01 -0.84952E-02 5248 0.675E-01 0.153E+00 RMM: 3 -0.331142520574E+03 0.16269E-01 -0.10580E-02 5389 0.239E-01 0.238E-01 RMM: 4 -0.331142149978E+03 0.37060E-03 -0.11340E-03 4708 0.694E-02 0.109E-01 RMM: 5 -0.331142129119E+03 0.20859E-04 -0.19361E-04 3878 0.376E-02 0.119E-01 RMM: 6 -0.331142058987E+03 0.70132E-04 -0.90782E-05 3768 0.267E-02 0.682E-02 RMM: 7 -0.331142117261E+03 -0.58273E-04 -0.90880E-05 3796 0.262E-02 0.111E-01 RMM: 8 -0.331142043869E+03 0.73391E-04 -0.46218E-05 3222 0.209E-02 0.407E-02 RMM: 9 -0.331142037869E+03 0.59999E-05 -0.12538E-05 2499 0.104E-02 8638 T= 5870. E= 0.67100753E+03 F= 0.62244507E+03 E0= 0.65109611E+03 EK= 0.48562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330985751029E+03 0.15629E+00 -0.17596E-01 8052 0.228E+01 0.236E-01 RMM: 2 -0.331004325666E+03 -0.18575E-01 -0.81389E-02 5253 0.635E-01 0.132E+00 RMM: 3 -0.330991672331E+03 0.12653E-01 -0.87720E-03 5391 0.214E-01 0.179E-01 RMM: 4 -0.330991564323E+03 0.10801E-03 -0.10170E-03 4665 0.687E-02 0.158E-01 RMM: 5 -0.330991462745E+03 0.10158E-03 -0.19102E-04 3874 0.370E-02 0.114E-01 RMM: 6 -0.330991377652E+03 0.85093E-04 -0.64689E-05 3396 0.238E-02 0.380E-02 RMM: 7 -0.330991403904E+03 -0.26252E-04 -0.34434E-05 2867 0.175E-02 0.743E-02 RMM: 8 -0.330991370439E+03 0.33464E-04 -0.24350E-05 2594 0.164E-02 0.217E-02 RMM: 9 -0.330991368881E+03 0.15582E-05 -0.59664E-06 2445 0.691E-03 8639 T= 5795. E= 0.67065912E+03 F= 0.62271938E+03 E0= 0.65140199E+03 EK= 0.47940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330934229772E+03 0.57141E-01 -0.17360E-01 8148 0.229E+01 0.238E-01 RMM: 2 -0.330948640718E+03 -0.14411E-01 -0.82896E-02 5245 0.656E-01 0.108E+00 RMM: 3 -0.330940394159E+03 0.82466E-02 -0.84826E-03 5647 0.196E-01 0.192E-01 RMM: 4 -0.330940198865E+03 0.19529E-03 -0.85317E-04 4646 0.646E-02 0.144E-01 RMM: 5 -0.330940104297E+03 0.94568E-04 -0.15389E-04 3874 0.317E-02 0.105E-01 RMM: 6 -0.330940038883E+03 0.65414E-04 -0.50543E-05 3236 0.210E-02 0.450E-02 RMM: 7 -0.330940063739E+03 -0.24856E-04 -0.47750E-05 3151 0.194E-02 0.785E-02 RMM: 8 -0.330940025651E+03 0.38088E-04 -0.27259E-05 2741 0.170E-02 0.195E-02 RMM: 9 -0.330940027038E+03 -0.13873E-05 -0.80312E-06 2456 0.771E-03 8640 T= 5926. E= 0.67192074E+03 F= 0.62289719E+03 E0= 0.65161325E+03 EK= 0.49024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330945267053E+03 -0.52414E-02 -0.17476E-01 8088 0.233E+01 0.203E-01 RMM: 2 -0.330955199631E+03 -0.99326E-02 -0.81043E-02 5313 0.630E-01 0.701E-01 RMM: 3 -0.330951431593E+03 0.37680E-02 -0.72486E-03 5971 0.162E-01 0.145E-01 RMM: 4 -0.330951456847E+03 -0.25253E-04 -0.65983E-04 4626 0.616E-02 0.212E-01 RMM: 5 -0.330951173818E+03 0.28303E-03 -0.18144E-04 3876 0.348E-02 0.767E-02 RMM: 6 -0.330951142272E+03 0.31545E-04 -0.40784E-05 3107 0.193E-02 0.422E-02 RMM: 7 -0.330951164560E+03 -0.22288E-04 -0.30399E-05 2626 0.155E-02 0.750E-02 RMM: 8 -0.330951129571E+03 0.34989E-04 -0.24317E-05 2598 0.154E-02 0.165E-02 RMM: 9 -0.330951132360E+03 -0.27895E-05 -0.81572E-06 2450 0.794E-03 8641 T= 6229. E= 0.67454492E+03 F= 0.62301344E+03 E0= 0.65176282E+03 EK= 0.51531E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330963878238E+03 -0.12749E-01 -0.18667E-01 7908 0.240E+01 0.220E-01 RMM: 2 -0.330975637029E+03 -0.11759E-01 -0.99358E-02 5195 0.709E-01 0.733E-01 RMM: 3 -0.330971724648E+03 0.39124E-02 -0.98401E-03 5994 0.181E-01 0.146E-01 RMM: 4 -0.330971719665E+03 0.49827E-05 -0.80974E-04 4651 0.698E-02 0.225E-01 RMM: 5 -0.330971392502E+03 0.32716E-03 -0.21444E-04 3879 0.379E-02 0.786E-02 RMM: 6 -0.330971359126E+03 0.33376E-04 -0.37927E-05 3033 0.184E-02 0.433E-02 RMM: 7 -0.330971371214E+03 -0.12088E-04 -0.36254E-05 2786 0.173E-02 8642 T= 6615. E= 0.67784264E+03 F= 0.62312020E+03 E0= 0.65190026E+03 EK= 0.54722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330942569970E+03 0.28789E-01 -0.20223E-01 8052 0.246E+01 0.239E-01 RMM: 2 -0.330956287347E+03 -0.13717E-01 -0.10535E-01 5257 0.740E-01 0.872E-01 RMM: 3 -0.330950830876E+03 0.54565E-02 -0.10431E-02 5874 0.192E-01 0.175E-01 RMM: 4 -0.330950772698E+03 0.58178E-04 -0.95332E-04 4683 0.742E-02 0.225E-01 RMM: 5 -0.330950438474E+03 0.33422E-03 -0.22770E-04 3886 0.383E-02 0.734E-02 RMM: 6 -0.330950414136E+03 0.24339E-04 -0.34262E-05 2949 0.176E-02 0.494E-02 RMM: 7 -0.330950429214E+03 -0.15078E-04 -0.46094E-05 3138 0.186E-02 8643 T= 6945. E= 0.68071919E+03 F= 0.62326770E+03 E0= 0.65207255E+03 EK= 0.57451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330852712619E+03 0.97702E-01 -0.21008E-01 8076 0.250E+01 0.229E-01 RMM: 2 -0.330865564614E+03 -0.12852E-01 -0.10716E-01 5272 0.741E-01 0.779E-01 RMM: 3 -0.330861090102E+03 0.44745E-02 -0.10015E-02 5916 0.187E-01 0.161E-01 RMM: 4 -0.330861099710E+03 -0.96080E-05 -0.86476E-04 4686 0.711E-02 0.234E-01 RMM: 5 -0.330860754670E+03 0.34504E-03 -0.21780E-04 3884 0.376E-02 0.932E-02 RMM: 6 -0.330860705440E+03 0.49230E-04 -0.48632E-05 3206 0.206E-02 0.427E-02 RMM: 7 -0.330860723325E+03 -0.17884E-04 -0.34112E-05 2791 0.164E-02 8644 T= 7079. E= 0.68204812E+03 F= 0.62348467E+03 E0= 0.65230746E+03 EK= 0.58563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330709146095E+03 0.15156E+00 -0.20997E-01 8148 0.249E+01 0.224E-01 RMM: 2 -0.330722203149E+03 -0.13057E-01 -0.99136E-02 5229 0.721E-01 0.857E-01 RMM: 3 -0.330716889822E+03 0.53133E-02 -0.93511E-03 5831 0.189E-01 0.166E-01 RMM: 4 -0.330716820037E+03 0.69785E-04 -0.80092E-04 4658 0.672E-02 0.199E-01 RMM: 5 -0.330716572418E+03 0.24762E-03 -0.18707E-04 3882 0.353E-02 0.854E-02 RMM: 6 -0.330716538868E+03 0.33550E-04 -0.48905E-05 3213 0.207E-02 0.553E-02 RMM: 7 -0.330716567509E+03 -0.28641E-04 -0.49957E-05 3233 0.192E-02 0.894E-02 RMM: 8 -0.330716516841E+03 0.50668E-04 -0.34956E-05 2918 0.185E-02 0.231E-02 RMM: 9 -0.330716518120E+03 -0.12795E-05 -0.10048E-05 2463 0.893E-03 8645 T= 6957. E= 0.68131470E+03 F= 0.62375883E+03 E0= 0.65259114E+03 EK= 0.57556E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330565344869E+03 0.15117E+00 -0.20051E-01 8004 0.244E+01 0.187E-01 RMM: 2 -0.330575920915E+03 -0.10576E-01 -0.93769E-02 5295 0.683E-01 0.623E-01 RMM: 3 -0.330572673165E+03 0.32478E-02 -0.74865E-03 5810 0.168E-01 0.139E-01 RMM: 4 -0.330572687226E+03 -0.14061E-04 -0.60326E-04 4667 0.593E-02 0.194E-01 RMM: 5 -0.330572444021E+03 0.24320E-03 -0.17097E-04 3883 0.352E-02 0.820E-02 RMM: 6 -0.330572419781E+03 0.24240E-04 -0.65263E-05 3420 0.233E-02 0.603E-02 RMM: 7 -0.330572439778E+03 -0.19996E-04 -0.37412E-05 2921 0.174E-02 8646 T= 6640. E= 0.67896804E+03 F= 0.62403769E+03 E0= 0.65287373E+03 EK= 0.54930E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330492554358E+03 0.79865E-01 -0.18997E-01 7860 0.237E+01 0.207E-01 RMM: 2 -0.330503821649E+03 -0.11267E-01 -0.86728E-02 5262 0.679E-01 0.785E-01 RMM: 3 -0.330499288517E+03 0.45331E-02 -0.78362E-03 5820 0.177E-01 0.163E-01 RMM: 4 -0.330499161129E+03 0.12739E-03 -0.59956E-04 4636 0.575E-02 0.157E-01 RMM: 5 -0.330499015848E+03 0.14528E-03 -0.17112E-04 3888 0.364E-02 0.905E-02 RMM: 6 -0.330499009681E+03 0.61671E-05 -0.80219E-05 3579 0.251E-02 8647 T= 6266. E= 0.67609024E+03 F= 0.62425225E+03 E0= 0.65308707E+03 EK= 0.51838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330550488661E+03 -0.51473E-01 -0.18002E-01 7812 0.231E+01 0.311E-01 RMM: 2 -0.330572431163E+03 -0.21943E-01 -0.82219E-02 5230 0.670E-01 0.152E+00 RMM: 3 -0.330556522856E+03 0.15908E-01 -0.11278E-02 5351 0.253E-01 0.316E-01 RMM: 4 -0.330555875521E+03 0.64734E-03 -0.12830E-03 4695 0.755E-02 0.125E-01 RMM: 5 -0.330555888461E+03 -0.12940E-04 -0.28758E-04 4010 0.464E-02 0.151E-01 RMM: 6 -0.330555753541E+03 0.13492E-03 -0.13679E-04 3874 0.332E-02 0.664E-02 RMM: 7 -0.330555813030E+03 -0.59489E-04 -0.85595E-05 3620 0.255E-02 0.113E-01 RMM: 8 -0.330555741542E+03 0.71487E-04 -0.42746E-05 3127 0.209E-02 0.454E-02 RMM: 9 -0.330555732203E+03 0.93396E-05 -0.12910E-05 2501 0.107E-02 8648 T= 5973. E= 0.67375589E+03 F= 0.62434333E+03 E0= 0.65317509E+03 EK= 0.49413E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330767212643E+03 -0.21147E+00 -0.17109E-01 7560 0.228E+01 0.340E-01 RMM: 2 -0.330794295980E+03 -0.27083E-01 -0.72518E-02 5237 0.650E-01 0.182E+00 RMM: 3 -0.330772059577E+03 0.22236E-01 -0.11783E-02 5340 0.267E-01 0.332E-01 RMM: 4 -0.330771326392E+03 0.73319E-03 -0.15224E-03 4744 0.843E-02 0.126E-01 RMM: 5 -0.330771415442E+03 -0.89050E-04 -0.26616E-04 3896 0.424E-02 0.181E-01 RMM: 6 -0.330771195712E+03 0.21973E-03 -0.11327E-04 3817 0.315E-02 0.392E-02 RMM: 7 -0.330771215543E+03 -0.19831E-04 -0.42442E-05 3102 0.185E-02 8649 T= 5847. E= 0.67265329E+03 F= 0.62428131E+03 E0= 0.65311030E+03 EK= 0.48372E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331130711219E+03 -0.35952E+00 -0.17035E-01 7836 0.228E+01 0.247E-01 RMM: 2 -0.331143197225E+03 -0.12486E-01 -0.69667E-02 5285 0.606E-01 0.103E+00 RMM: 3 -0.331135793646E+03 0.74036E-02 -0.71390E-03 5391 0.188E-01 0.217E-01 RMM: 4 -0.331135636917E+03 0.15673E-03 -0.90541E-04 4655 0.678E-02 0.175E-01 RMM: 5 -0.331135545332E+03 0.91585E-04 -0.24402E-04 3906 0.415E-02 0.149E-01 RMM: 6 -0.331135407997E+03 0.13733E-03 -0.10628E-04 3739 0.296E-02 0.522E-02 RMM: 7 -0.331135458177E+03 -0.50180E-04 -0.62487E-05 3400 0.217E-02 0.101E-01 RMM: 8 -0.331135398670E+03 0.59506E-04 -0.34765E-05 2999 0.192E-02 0.390E-02 RMM: 9 -0.331135391045E+03 0.76255E-05 -0.10941E-05 2478 0.975E-03 8650 T= 5918. E= 0.67303350E+03 F= 0.62407417E+03 E0= 0.65290224E+03 EK= 0.48959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331596169930E+03 -0.46077E+00 -0.17221E-01 8112 0.232E+01 0.242E-01 RMM: 2 -0.331607634311E+03 -0.11464E-01 -0.70874E-02 5257 0.621E-01 0.960E-01 RMM: 3 -0.331601070555E+03 0.65638E-02 -0.68212E-03 5592 0.178E-01 0.140E-01 RMM: 4 -0.331601315495E+03 -0.24494E-03 -0.87612E-04 4622 0.691E-02 0.251E-01 RMM: 5 -0.331600917501E+03 0.39799E-03 -0.22538E-04 3881 0.383E-02 0.879E-02 RMM: 6 -0.331600869764E+03 0.47736E-04 -0.44852E-05 3154 0.200E-02 0.374E-02 RMM: 7 -0.331600887075E+03 -0.17311E-04 -0.28074E-05 2663 0.153E-02 8651 T= 6163. E= 0.67475098E+03 F= 0.62376696E+03 E0= 0.65259541E+03 EK= 0.50984E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332081303798E+03 -0.48043E+00 -0.18363E-01 8220 0.238E+01 0.238E-01 RMM: 2 -0.332091470154E+03 -0.10166E-01 -0.88382E-02 5204 0.687E-01 0.686E-01 RMM: 3 -0.332087991497E+03 0.34787E-02 -0.84716E-03 5775 0.185E-01 0.180E-01 RMM: 4 -0.332088146998E+03 -0.15550E-03 -0.86391E-04 4647 0.697E-02 0.263E-01 RMM: 5 -0.332087675686E+03 0.47131E-03 -0.24233E-04 3889 0.392E-02 0.753E-02 RMM: 6 -0.332087650566E+03 0.25120E-04 -0.43711E-05 3138 0.192E-02 0.527E-02 RMM: 7 -0.332087670726E+03 -0.20160E-04 -0.48105E-05 3178 0.193E-02 0.795E-02 RMM: 8 -0.332087631841E+03 0.38885E-04 -0.29725E-05 2767 0.170E-02 0.202E-02 RMM: 9 -0.332087636146E+03 -0.43051E-05 -0.10386E-05 2465 0.922E-03 8652 T= 6505. E= 0.67725500E+03 F= 0.62343798E+03 E0= 0.65226766E+03 EK= 0.53817E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332489038787E+03 -0.40141E+00 -0.19135E-01 8352 0.245E+01 0.257E-01 RMM: 2 -0.332500210511E+03 -0.11172E-01 -0.91226E-02 5308 0.698E-01 0.806E-01 RMM: 3 -0.332495664280E+03 0.45462E-02 -0.85907E-03 5814 0.185E-01 0.170E-01 RMM: 4 -0.332495865126E+03 -0.20085E-03 -0.98396E-04 4626 0.750E-02 0.275E-01 RMM: 5 -0.332495375374E+03 0.48975E-03 -0.27999E-04 3901 0.424E-02 0.978E-02 RMM: 6 -0.332495313296E+03 0.62078E-04 -0.50455E-05 3244 0.209E-02 0.364E-02 RMM: 7 -0.332495323005E+03 -0.97090E-05 -0.25356E-05 2578 0.142E-02 8653 T= 6821. E= 0.67961800E+03 F= 0.62318709E+03 E0= 0.65201743E+03 EK= 0.56431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332722568140E+03 -0.22725E+00 -0.19997E-01 8376 0.249E+01 0.244E-01 RMM: 2 -0.332733292604E+03 -0.10724E-01 -0.95796E-02 5347 0.701E-01 0.691E-01 RMM: 3 -0.332729707925E+03 0.35847E-02 -0.85417E-03 5930 0.184E-01 0.178E-01 RMM: 4 -0.332729867259E+03 -0.15933E-03 -0.86554E-04 4634 0.695E-02 0.270E-01 RMM: 5 -0.332729366643E+03 0.50062E-03 -0.25396E-04 3889 0.400E-02 0.676E-02 RMM: 6 -0.332729358286E+03 0.83570E-05 -0.50218E-05 3240 0.203E-02 8654 T= 6976. E= 0.68082184E+03 F= 0.62310978E+03 E0= 0.65193812E+03 EK= 0.57712E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332724610039E+03 0.47566E-02 -0.20800E-01 8232 0.250E+01 0.320E-01 RMM: 2 -0.332748894233E+03 -0.24284E-01 -0.10973E-01 5208 0.750E-01 0.151E+00 RMM: 3 -0.332732745961E+03 0.16148E-01 -0.13020E-02 5397 0.261E-01 0.291E-01 RMM: 4 -0.332732381088E+03 0.36487E-03 -0.16828E-03 4811 0.892E-02 0.199E-01 RMM: 5 -0.332732194921E+03 0.18617E-03 -0.29653E-04 3898 0.418E-02 0.136E-01 RMM: 6 -0.332732082208E+03 0.11271E-03 -0.97326E-05 3698 0.283E-02 0.573E-02 RMM: 7 -0.332732114022E+03 -0.31814E-04 -0.58750E-05 3332 0.212E-02 0.909E-02 RMM: 8 -0.332732071196E+03 0.42827E-04 -0.42988E-05 3014 0.188E-02 0.436E-02 RMM: 9 -0.332732061950E+03 0.92463E-05 -0.17168E-05 2507 0.124E-02 8655 T= 6895. E= 0.68030859E+03 F= 0.62326568E+03 E0= 0.65208745E+03 EK= 0.57043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332494998912E+03 0.23707E+00 -0.20058E-01 8136 0.246E+01 0.331E-01 RMM: 2 -0.332522852329E+03 -0.27853E-01 -0.10626E-01 5229 0.744E-01 0.170E+00 RMM: 3 -0.332502482048E+03 0.20370E-01 -0.12634E-02 5396 0.263E-01 0.300E-01 RMM: 4 -0.332501950636E+03 0.53141E-03 -0.18124E-03 4832 0.934E-02 0.164E-01 RMM: 5 -0.332501823128E+03 0.12751E-03 -0.26827E-04 3885 0.417E-02 0.118E-01 RMM: 6 -0.332501740208E+03 0.82920E-04 -0.71757E-05 3501 0.246E-02 0.493E-02 RMM: 7 -0.332501774240E+03 -0.34032E-04 -0.55633E-05 3278 0.199E-02 0.907E-02 RMM: 8 -0.332501721685E+03 0.52555E-04 -0.41398E-05 3049 0.206E-02 0.199E-02 RMM: 9 -0.332501721774E+03 -0.88425E-07 -0.87684E-06 2453 0.822E-03 8656 T= 6613. E= 0.67836970E+03 F= 0.62365871E+03 E0= 0.65246846E+03 EK= 0.54711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332077200166E+03 0.42452E+00 -0.19524E-01 8508 0.240E+01 0.230E-01 RMM: 2 -0.332092101928E+03 -0.14902E-01 -0.10051E-01 5271 0.699E-01 0.970E-01 RMM: 3 -0.332084800344E+03 0.73016E-02 -0.87342E-03 5583 0.200E-01 0.182E-01 RMM: 4 -0.332084712941E+03 0.87403E-04 -0.86789E-04 4653 0.667E-02 0.180E-01 RMM: 5 -0.332084517260E+03 0.19568E-03 -0.22111E-04 3888 0.401E-02 0.102E-01 RMM: 6 -0.332084486160E+03 0.31099E-04 -0.94993E-05 3766 0.272E-02 0.797E-02 RMM: 7 -0.332084504795E+03 -0.18635E-04 -0.67173E-05 3505 0.231E-02 8657 T= 6250. E= 0.67595163E+03 F= 0.62424427E+03 E0= 0.65303667E+03 EK= 0.51707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331538437956E+03 0.54605E+00 -0.18577E-01 8244 0.234E+01 0.206E-01 RMM: 2 -0.331549110634E+03 -0.10673E-01 -0.99007E-02 5214 0.704E-01 0.583E-01 RMM: 3 -0.331546209413E+03 0.29012E-02 -0.88391E-03 6103 0.180E-01 0.154E-01 RMM: 4 -0.331546131157E+03 0.78256E-04 -0.61273E-04 4649 0.608E-02 0.202E-01 RMM: 5 -0.331545854018E+03 0.27714E-03 -0.26427E-04 4015 0.448E-02 0.766E-02 RMM: 6 -0.331545949505E+03 -0.95487E-04 -0.17952E-04 3882 0.356E-02 0.141E-01 RMM: 7 -0.331545837722E+03 0.11178E-03 -0.86719E-05 3636 0.274E-02 0.578E-02 RMM: 8 -0.331545820692E+03 0.17030E-04 -0.18027E-05 2554 0.125E-02 8658 T= 5940. E= 0.67409738E+03 F= 0.62495716E+03 E0= 0.65372777E+03 EK= 0.49140E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330935941910E+03 0.60990E+00 -0.18000E-01 8268 0.229E+01 0.235E-01 RMM: 2 -0.330952959062E+03 -0.17017E-01 -0.10480E-01 5025 0.737E-01 0.110E+00 RMM: 3 -0.330944119247E+03 0.88398E-02 -0.10576E-02 5604 0.220E-01 0.201E-01 RMM: 4 -0.330943909761E+03 0.20949E-03 -0.97589E-04 4709 0.701E-02 0.156E-01 RMM: 5 -0.330943791569E+03 0.11819E-03 -0.23740E-04 3912 0.420E-02 0.114E-01 RMM: 6 -0.330943725323E+03 0.66246E-04 -0.11704E-04 3862 0.306E-02 0.603E-02 RMM: 7 -0.330943773980E+03 -0.48657E-04 -0.49649E-05 3214 0.199E-02 0.104E-01 RMM: 8 -0.330943703713E+03 0.70267E-04 -0.33614E-05 2896 0.191E-02 0.240E-02 RMM: 9 -0.330943703246E+03 0.46713E-06 -0.88389E-06 2458 0.842E-03 8659 T= 5779. E= 0.67354209E+03 F= 0.62573802E+03 E0= 0.65448446E+03 EK= 0.47804E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330301296456E+03 0.64241E+00 -0.16946E-01 8268 0.229E+01 0.214E-01 RMM: 2 -0.330313421650E+03 -0.12125E-01 -0.94255E-02 5063 0.691E-01 0.780E-01 RMM: 3 -0.330308686751E+03 0.47349E-02 -0.91739E-03 5777 0.194E-01 0.166E-01 RMM: 4 -0.330308655589E+03 0.31162E-04 -0.81635E-04 4673 0.677E-02 0.202E-01 RMM: 5 -0.330308374458E+03 0.28113E-03 -0.23444E-04 3903 0.411E-02 0.754E-02 RMM: 6 -0.330308383117E+03 -0.86592E-05 -0.81766E-05 3578 0.252E-02 8660 T= 5811. E= 0.67462313E+03 F= 0.62655400E+03 E0= 0.65527574E+03 EK= 0.48069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329632149343E+03 0.67623E+00 -0.17376E-01 8064 0.232E+01 0.304E-01 RMM: 2 -0.329653933102E+03 -0.21784E-01 -0.11392E-01 4952 0.769E-01 0.135E+00 RMM: 3 -0.329640988917E+03 0.12944E-01 -0.13778E-02 5441 0.260E-01 0.267E-01 RMM: 4 -0.329640646790E+03 0.34213E-03 -0.15249E-03 4870 0.851E-02 0.183E-01 RMM: 5 -0.329640545770E+03 0.10102E-03 -0.30632E-04 3907 0.419E-02 0.161E-01 RMM: 6 -0.329640393037E+03 0.15273E-03 -0.14593E-04 3877 0.338E-02 0.662E-02 RMM: 7 -0.329640458113E+03 -0.65075E-04 -0.81260E-05 3591 0.241E-02 0.117E-01 RMM: 8 -0.329640373760E+03 0.84352E-04 -0.46004E-05 3186 0.210E-02 0.369E-02 RMM: 9 -0.329640369333E+03 0.44274E-05 -0.13985E-05 2498 0.110E-02 8661 T= 6032. E= 0.67730646E+03 F= 0.62740161E+03 E0= 0.65610003E+03 EK= 0.49905E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328911094230E+03 0.72928E+00 -0.17477E-01 8016 0.238E+01 0.312E-01 RMM: 2 -0.328937090774E+03 -0.25997E-01 -0.11627E-01 4887 0.787E-01 0.156E+00 RMM: 3 -0.328919899743E+03 0.17191E-01 -0.14415E-02 5437 0.270E-01 0.280E-01 RMM: 4 -0.328919533092E+03 0.36665E-03 -0.17577E-03 4915 0.918E-02 0.199E-01 RMM: 5 -0.328919399740E+03 0.13335E-03 -0.30412E-04 3909 0.427E-02 0.153E-01 RMM: 6 -0.328919241329E+03 0.15841E-03 -0.97510E-05 3678 0.284E-02 0.362E-02 RMM: 7 -0.328919251934E+03 -0.10605E-04 -0.28768E-05 2709 0.153E-02 8662 T= 6390. E= 0.68115859E+03 F= 0.62829894E+03 E0= 0.65697727E+03 EK= 0.52860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328110042400E+03 0.80920E+00 -0.18913E-01 7992 0.245E+01 0.258E-01 RMM: 2 -0.328126525870E+03 -0.16483E-01 -0.12489E-01 5044 0.804E-01 0.926E-01 RMM: 3 -0.328120020514E+03 0.65054E-02 -0.12857E-02 5690 0.224E-01 0.187E-01 RMM: 4 -0.328120038782E+03 -0.18268E-04 -0.12076E-03 4789 0.820E-02 0.255E-01 RMM: 5 -0.328119645321E+03 0.39346E-03 -0.29348E-04 3907 0.434E-02 0.114E-01 RMM: 6 -0.328119571300E+03 0.74020E-04 -0.79279E-05 3537 0.252E-02 0.562E-02 RMM: 7 -0.328119606940E+03 -0.35640E-04 -0.60790E-05 3385 0.211E-02 0.966E-02 RMM: 8 -0.328119548202E+03 0.58738E-04 -0.41042E-05 3039 0.196E-02 0.292E-02 RMM: 9 -0.328119548621E+03 -0.41890E-06 -0.14264E-05 2488 0.110E-02 8663 T= 6772. E= 0.68529367E+03 F= 0.62927062E+03 E0= 0.65793259E+03 EK= 0.56023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327232123514E+03 0.88742E+00 -0.19682E-01 8040 0.251E+01 0.246E-01 RMM: 2 -0.327247779111E+03 -0.15656E-01 -0.13394E-01 5021 0.822E-01 0.795E-01 RMM: 3 -0.327242870023E+03 0.49091E-02 -0.13569E-02 5821 0.221E-01 0.164E-01 RMM: 4 -0.327242992558E+03 -0.12254E-03 -0.10377E-03 4762 0.763E-02 0.279E-01 RMM: 5 -0.327242482884E+03 0.50967E-03 -0.27780E-04 3925 0.426E-02 0.899E-02 RMM: 6 -0.327242436019E+03 0.46866E-04 -0.67759E-05 3422 0.232E-02 0.453E-02 RMM: 7 -0.327242453579E+03 -0.17560E-04 -0.39808E-05 2956 0.181E-02 8664 T= 7035. E= 0.68851666E+03 F= 0.63031634E+03 E0= 0.65896730E+03 EK= 0.58200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326329612401E+03 0.91282E+00 -0.19514E-01 8028 0.253E+01 0.235E-01 RMM: 2 -0.326344647180E+03 -0.15035E-01 -0.13881E-01 5072 0.835E-01 0.666E-01 RMM: 3 -0.326341112649E+03 0.35345E-02 -0.14253E-02 6013 0.216E-01 0.190E-01 RMM: 4 -0.326340990221E+03 0.12243E-03 -0.94634E-04 4743 0.744E-02 0.241E-01 RMM: 5 -0.326340596316E+03 0.39391E-03 -0.24778E-04 3904 0.400E-02 0.755E-02 RMM: 6 -0.326340600933E+03 -0.46169E-05 -0.82527E-05 3560 0.252E-02 8665 T= 7067. E= 0.68984894E+03 F= 0.63138573E+03 E0= 0.66003153E+03 EK= 0.58463E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325513173386E+03 0.82742E+00 -0.19063E-01 7944 0.251E+01 0.338E-01 RMM: 2 -0.325545134960E+03 -0.31962E-01 -0.14008E-01 5107 0.846E-01 0.173E+00 RMM: 3 -0.325523996763E+03 0.21138E-01 -0.16958E-02 5423 0.288E-01 0.287E-01 RMM: 4 -0.325523532037E+03 0.46473E-03 -0.18892E-03 4878 0.917E-02 0.178E-01 RMM: 5 -0.325523396308E+03 0.13573E-03 -0.31282E-04 3904 0.422E-02 0.140E-01 RMM: 6 -0.325523291523E+03 0.10479E-03 -0.12196E-04 3851 0.305E-02 0.723E-02 RMM: 7 -0.325523343607E+03 -0.52084E-04 -0.88340E-05 3742 0.255E-02 0.112E-01 RMM: 8 -0.325523274234E+03 0.69373E-04 -0.48948E-05 3226 0.205E-02 0.526E-02 RMM: 9 -0.325523259086E+03 0.15148E-04 -0.18557E-05 2537 0.130E-02 8666 T= 6861. E= 0.68912776E+03 F= 0.63237244E+03 E0= 0.66101779E+03 EK= 0.56755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324919277749E+03 0.60400E+00 -0.17830E-01 7824 0.245E+01 0.339E-01 RMM: 2 -0.324949432151E+03 -0.30154E-01 -0.12574E-01 5088 0.824E-01 0.171E+00 RMM: 3 -0.324928895103E+03 0.20537E-01 -0.15912E-02 5419 0.290E-01 0.349E-01 RMM: 4 -0.324928046383E+03 0.84872E-03 -0.19849E-03 4932 0.971E-02 0.126E-01 RMM: 5 -0.324927972717E+03 0.73666E-04 -0.30115E-04 3902 0.435E-02 0.121E-01 RMM: 6 -0.324927896375E+03 0.76342E-04 -0.96982E-05 3825 0.275E-02 0.638E-02 RMM: 7 -0.324927941045E+03 -0.44670E-04 -0.75090E-05 3558 0.228E-02 0.107E-01 RMM: 8 -0.324927868905E+03 0.72140E-04 -0.45312E-05 3164 0.211E-02 0.321E-02 RMM: 9 -0.324927863912E+03 0.49922E-05 -0.10614E-05 2472 0.958E-03 8667 T= 6520. E= 0.68708248E+03 F= 0.63314163E+03 E0= 0.66179075E+03 EK= 0.53941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324669891415E+03 0.25798E+00 -0.16798E-01 7872 0.238E+01 0.258E-01 RMM: 2 -0.324686547611E+03 -0.16656E-01 -0.10247E-01 5182 0.750E-01 0.111E+00 RMM: 3 -0.324678032502E+03 0.85151E-02 -0.10919E-02 5675 0.214E-01 0.237E-01 RMM: 4 -0.324677654304E+03 0.37820E-03 -0.10087E-03 4655 0.719E-02 0.152E-01 RMM: 5 -0.324677534953E+03 0.11935E-03 -0.26615E-04 3944 0.445E-02 0.121E-01 RMM: 6 -0.324677481469E+03 0.53484E-04 -0.12418E-04 3875 0.307E-02 0.878E-02 RMM: 7 -0.324677528383E+03 -0.46914E-04 -0.96446E-05 3799 0.267E-02 0.120E-01 RMM: 8 -0.324677438018E+03 0.90365E-04 -0.48632E-05 3233 0.212E-02 0.417E-02 RMM: 9 -0.324677429753E+03 0.82652E-05 -0.13424E-05 2494 0.107E-02 8668 T= 6193. E= 0.68480548E+03 F= 0.63357173E+03 E0= 0.66222799E+03 EK= 0.51234E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324831982242E+03 -0.15454E+00 -0.16394E-01 7968 0.233E+01 0.225E-01 RMM: 2 -0.324843720263E+03 -0.11738E-01 -0.92755E-02 5135 0.711E-01 0.794E-01 RMM: 3 -0.324839286537E+03 0.44337E-02 -0.93491E-03 5733 0.191E-01 0.171E-01 RMM: 4 -0.324839197769E+03 0.88768E-04 -0.75686E-04 4650 0.643E-02 0.195E-01 RMM: 5 -0.324838970008E+03 0.22776E-03 -0.24205E-04 3909 0.420E-02 0.101E-01 RMM: 6 -0.324838941680E+03 0.28328E-04 -0.11899E-04 3876 0.301E-02 0.804E-02 RMM: 7 -0.324838952561E+03 -0.10881E-04 -0.54358E-05 3315 0.213E-02 8669 T= 5994. E= 0.68318411E+03 F= 0.63359567E+03 E0= 0.66226162E+03 EK= 0.49588E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325400857375E+03 -0.56192E+00 -0.16061E-01 7932 0.232E+01 0.240E-01 RMM: 2 -0.325410907781E+03 -0.10050E-01 -0.81276E-02 5105 0.675E-01 0.752E-01 RMM: 3 -0.325407168719E+03 0.37391E-02 -0.84012E-03 5742 0.180E-01 0.196E-01 RMM: 4 -0.325407159073E+03 0.96455E-05 -0.87534E-04 4630 0.716E-02 0.236E-01 RMM: 5 -0.325406791936E+03 0.36714E-03 -0.29847E-04 3947 0.458E-02 0.925E-02 RMM: 6 -0.325406794446E+03 -0.25106E-05 -0.11315E-04 3855 0.287E-02 8670 T= 5978. E= 0.68267403E+03 F= 0.63321760E+03 E0= 0.66189659E+03 EK= 0.49456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326305934022E+03 -0.89914E+00 -0.16362E-01 7944 0.234E+01 0.320E-01 RMM: 2 -0.326328504291E+03 -0.22570E-01 -0.10405E-01 4956 0.770E-01 0.146E+00 RMM: 3 -0.326313679880E+03 0.14824E-01 -0.13116E-02 5404 0.260E-01 0.266E-01 RMM: 4 -0.326313411315E+03 0.26856E-03 -0.16262E-03 4827 0.879E-02 0.205E-01 RMM: 5 -0.326313278310E+03 0.13300E-03 -0.34353E-04 3966 0.459E-02 0.162E-01 RMM: 6 -0.326313112871E+03 0.16544E-03 -0.13646E-04 3874 0.327E-02 0.530E-02 RMM: 7 -0.326313150054E+03 -0.37184E-04 -0.55831E-05 3317 0.205E-02 0.916E-02 RMM: 8 -0.326313108677E+03 0.41377E-04 -0.29904E-05 2839 0.178E-02 0.461E-02 RMM: 9 -0.326313097102E+03 0.11575E-04 -0.12947E-05 2490 0.110E-02 8671 T= 6140. E= 0.68329987E+03 F= 0.63250322E+03 E0= 0.66119994E+03 EK= 0.50797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327438415104E+03 -0.11253E+01 -0.16120E-01 8016 0.238E+01 0.369E-01 RMM: 2 -0.327468577617E+03 -0.30163E-01 -0.93129E-02 5163 0.745E-01 0.186E+00 RMM: 3 -0.327444605109E+03 0.23973E-01 -0.13633E-02 5372 0.281E-01 0.316E-01 RMM: 4 -0.327444189838E+03 0.41527E-03 -0.21289E-03 4972 0.103E-01 0.222E-01 RMM: 5 -0.327444073627E+03 0.11621E-03 -0.36267E-04 3896 0.462E-02 0.196E-01 RMM: 6 -0.327443813190E+03 0.26044E-03 -0.12725E-04 3844 0.321E-02 0.415E-02 RMM: 7 -0.327443821200E+03 -0.80104E-05 -0.32561E-05 2881 0.160E-02 8672 T= 6421. E= 0.68468294E+03 F= 0.63156474E+03 E0= 0.66028290E+03 EK= 0.53118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328652444304E+03 -0.12086E+01 -0.17054E-01 8124 0.244E+01 0.303E-01 RMM: 2 -0.328666032196E+03 -0.13588E-01 -0.85900E-02 5223 0.696E-01 0.105E+00 RMM: 3 -0.328658713555E+03 0.73186E-02 -0.95534E-03 5485 0.211E-01 0.237E-01 RMM: 4 -0.328658948845E+03 -0.23529E-03 -0.13994E-03 4680 0.867E-02 0.312E-01 RMM: 5 -0.328658366960E+03 0.58189E-03 -0.35885E-04 3942 0.476E-02 0.139E-01 RMM: 6 -0.328658242127E+03 0.12483E-03 -0.98920E-05 3703 0.281E-02 0.490E-02 RMM: 7 -0.328658277558E+03 -0.35431E-04 -0.51391E-05 3247 0.196E-02 0.934E-02 RMM: 8 -0.328658224895E+03 0.52663E-04 -0.34401E-05 2888 0.184E-02 0.337E-02 RMM: 9 -0.328658222326E+03 0.25699E-05 -0.14976E-05 2488 0.113E-02 8673 T= 6714. E= 0.68608270E+03 F= 0.63054215E+03 E0= 0.65928554E+03 EK= 0.55541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329810653265E+03 -0.11524E+01 -0.18697E-01 7944 0.248E+01 0.287E-01 RMM: 2 -0.329825209443E+03 -0.14556E-01 -0.11277E-01 4968 0.796E-01 0.922E-01 RMM: 3 -0.329819350584E+03 0.58589E-02 -0.12407E-02 5691 0.221E-01 0.209E-01 RMM: 4 -0.329819597507E+03 -0.24692E-03 -0.13868E-03 4841 0.893E-02 0.324E-01 RMM: 5 -0.329818957202E+03 0.64031E-03 -0.40435E-04 4193 0.516E-02 0.124E-01 RMM: 6 -0.329818858477E+03 0.98725E-04 -0.88429E-05 3590 0.259E-02 0.414E-02 RMM: 7 -0.329818879691E+03 -0.21214E-04 -0.34260E-05 2900 0.165E-02 0.744E-02 RMM: 8 -0.329818846883E+03 0.32808E-04 -0.29277E-05 2605 0.168E-02 0.277E-02 RMM: 9 -0.329818846438E+03 0.44410E-06 -0.11544E-05 2463 0.982E-03 8674 T= 6894. E= 0.68660626E+03 F= 0.62957366E+03 E0= 0.65834574E+03 EK= 0.57033E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330817489895E+03 -0.99864E+00 -0.18767E-01 8040 0.249E+01 0.266E-01 RMM: 2 -0.330829413206E+03 -0.11923E-01 -0.10321E-01 4950 0.757E-01 0.749E-01 RMM: 3 -0.330825566950E+03 0.38463E-02 -0.11403E-02 5741 0.208E-01 0.186E-01 RMM: 4 -0.330825779955E+03 -0.21301E-03 -0.11635E-03 4780 0.826E-02 0.298E-01 RMM: 5 -0.330825202647E+03 0.57731E-03 -0.36340E-04 4097 0.491E-02 0.102E-01 RMM: 6 -0.330825144203E+03 0.58444E-04 -0.72511E-05 3490 0.238E-02 0.506E-02 RMM: 7 -0.330825173175E+03 -0.28972E-04 -0.46198E-05 3115 0.191E-02 0.880E-02 RMM: 8 -0.330825124361E+03 0.48814E-04 -0.29898E-05 2787 0.176E-02 0.241E-02 RMM: 9 -0.330825126225E+03 -0.18642E-05 -0.11416E-05 2474 0.954E-03 8675 T= 6877. E= 0.68565203E+03 F= 0.62876181E+03 E0= 0.65756297E+03 EK= 0.56890E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331626846279E+03 -0.80172E+00 -0.18756E-01 7764 0.246E+01 0.246E-01 RMM: 2 -0.331639153570E+03 -0.12307E-01 -0.10121E-01 4861 0.737E-01 0.771E-01 RMM: 3 -0.331634810825E+03 0.43427E-02 -0.10965E-02 5708 0.205E-01 0.176E-01 RMM: 4 -0.331635038207E+03 -0.22738E-03 -0.10753E-03 4769 0.805E-02 0.292E-01 RMM: 5 -0.331634492904E+03 0.54530E-03 -0.33744E-04 4126 0.484E-02 0.973E-02 RMM: 6 -0.331634447686E+03 0.45218E-04 -0.76012E-05 3513 0.243E-02 0.590E-02 RMM: 7 -0.331634475735E+03 -0.28049E-04 -0.48899E-05 3180 0.199E-02 0.891E-02 RMM: 8 -0.331634425940E+03 0.49795E-04 -0.28787E-05 2861 0.176E-02 0.207E-02 RMM: 9 -0.331634428027E+03 -0.20868E-05 -0.84155E-06 2457 0.803E-03 8676 T= 6667. E= 0.68330599E+03 F= 0.62815174E+03 E0= 0.65697986E+03 EK= 0.55154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332250944116E+03 -0.61652E+00 -0.17757E-01 7800 0.241E+01 0.222E-01 RMM: 2 -0.332260086830E+03 -0.91427E-02 -0.85633E-02 4975 0.673E-01 0.573E-01 RMM: 3 -0.332257618337E+03 0.24685E-02 -0.87417E-03 5763 0.183E-01 0.161E-01 RMM: 4 -0.332257779338E+03 -0.16100E-03 -0.81372E-04 4651 0.709E-02 0.261E-01 RMM: 5 -0.332257344908E+03 0.43443E-03 -0.30140E-04 4058 0.469E-02 0.974E-02 RMM: 6 -0.332257318383E+03 0.26525E-04 -0.98663E-05 3689 0.276E-02 0.763E-02 RMM: 7 -0.332257330707E+03 -0.12324E-04 -0.41355E-05 3068 0.195E-02 8677 T= 6354. E= 0.68030194E+03 F= 0.62773490E+03 E0= 0.65658478E+03 EK= 0.52567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332730120094E+03 -0.47280E+00 -0.17628E-01 7680 0.235E+01 0.239E-01 RMM: 2 -0.332740478659E+03 -0.10359E-01 -0.95030E-02 5074 0.709E-01 0.623E-01 RMM: 3 -0.332737537239E+03 0.29414E-02 -0.94481E-03 5752 0.184E-01 0.193E-01 RMM: 4 -0.332737628898E+03 -0.91658E-04 -0.88250E-04 4740 0.738E-02 0.270E-01 RMM: 5 -0.332737155200E+03 0.47370E-03 -0.37120E-04 4258 0.522E-02 0.925E-02 RMM: 6 -0.332737180419E+03 -0.25220E-04 -0.14068E-04 3876 0.315E-02 0.112E-01 RMM: 7 -0.332737138804E+03 0.41615E-04 -0.61185E-05 3442 0.235E-02 0.789E-02 RMM: 8 -0.332737101488E+03 0.37317E-04 -0.22636E-05 2743 0.150E-02 0.242E-02 RMM: 9 -0.332737110565E+03 -0.90774E-05 -0.11523E-05 2467 0.953E-03 8678 T= 6058. E= 0.67758418E+03 F= 0.62746875E+03 E0= 0.65633359E+03 EK= 0.50115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333114828515E+03 -0.37773E+00 -0.16398E-01 7824 0.230E+01 0.200E-01 RMM: 2 -0.333122800668E+03 -0.79722E-02 -0.72084E-02 5113 0.619E-01 0.567E-01 RMM: 3 -0.333120288202E+03 0.25125E-02 -0.65431E-03 5727 0.158E-01 0.143E-01 RMM: 4 -0.333120425974E+03 -0.13777E-03 -0.69798E-04 4644 0.673E-02 0.239E-01 RMM: 5 -0.333120050570E+03 0.37540E-03 -0.28718E-04 4016 0.465E-02 0.769E-02 RMM: 6 -0.333120064846E+03 -0.14276E-04 -0.10836E-04 3800 0.287E-02 8679 T= 5874. E= 0.67589772E+03 F= 0.62730599E+03 E0= 0.65617906E+03 EK= 0.48592E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333430639913E+03 -0.31059E+00 -0.15847E-01 7644 0.229E+01 0.310E-01 RMM: 2 -0.333447201104E+03 -0.16561E-01 -0.68001E-02 5206 0.611E-01 0.131E+00 RMM: 3 -0.333435050086E+03 0.12151E-01 -0.82722E-03 5388 0.209E-01 0.233E-01 RMM: 4 -0.333435134629E+03 -0.84544E-04 -0.13832E-03 4701 0.865E-02 0.274E-01 RMM: 5 -0.333434747081E+03 0.38755E-03 -0.46133E-04 4500 0.570E-02 0.161E-01 RMM: 6 -0.333434602660E+03 0.14442E-03 -0.15763E-04 3882 0.332E-02 0.771E-02 RMM: 7 -0.333434667650E+03 -0.64990E-04 -0.10191E-04 3824 0.277E-02 0.124E-01 RMM: 8 -0.333434570470E+03 0.97180E-04 -0.50310E-05 3264 0.220E-02 0.351E-02 RMM: 9 -0.333434568592E+03 0.18776E-05 -0.12219E-05 2496 0.100E-02 8680 T= 5853. E= 0.67563343E+03 F= 0.62721571E+03 E0= 0.65609096E+03 EK= 0.48418E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333682226913E+03 -0.24766E+00 -0.15995E-01 7572 0.230E+01 0.284E-01 RMM: 2 -0.333698884063E+03 -0.16657E-01 -0.64367E-02 5231 0.598E-01 0.133E+00 RMM: 3 -0.333686331942E+03 0.12552E-01 -0.77074E-03 5399 0.203E-01 0.194E-01 RMM: 4 -0.333686443030E+03 -0.11109E-03 -0.12910E-03 4662 0.835E-02 0.248E-01 RMM: 5 -0.333686169157E+03 0.27387E-03 -0.29968E-04 3914 0.449E-02 0.160E-01 RMM: 6 -0.333685998332E+03 0.17083E-03 -0.11140E-04 3815 0.303E-02 0.393E-02 RMM: 7 -0.333686033693E+03 -0.35361E-04 -0.45888E-05 3140 0.190E-02 0.844E-02 RMM: 8 -0.333685990315E+03 0.43378E-04 -0.27538E-05 2791 0.178E-02 0.219E-02 RMM: 9 -0.333685989329E+03 0.98525E-06 -0.63438E-06 2447 0.709E-03 8681 T= 6001. E= 0.67682976E+03 F= 0.62718926E+03 E0= 0.65606018E+03 EK= 0.49640E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333852785557E+03 -0.16680E+00 -0.16593E-01 7692 0.234E+01 0.288E-01 RMM: 2 -0.333864259451E+03 -0.11474E-01 -0.66170E-02 5289 0.604E-01 0.102E+00 RMM: 3 -0.333857084120E+03 0.71753E-02 -0.68326E-03 5405 0.185E-01 0.227E-01 RMM: 4 -0.333857251221E+03 -0.16710E-03 -0.12683E-03 4647 0.845E-02 0.285E-01 RMM: 5 -0.333856771845E+03 0.47938E-03 -0.36036E-04 3972 0.494E-02 0.136E-01 RMM: 6 -0.333856657655E+03 0.11419E-03 -0.10132E-04 3717 0.286E-02 0.558E-02 RMM: 7 -0.333856699506E+03 -0.41850E-04 -0.71442E-05 3521 0.227E-02 0.989E-02 RMM: 8 -0.333856637655E+03 0.61850E-04 -0.37733E-05 3041 0.199E-02 0.294E-02 RMM: 9 -0.333856635480E+03 0.21755E-05 -0.10079E-05 2472 0.910E-03 8682 T= 6278. E= 0.67918025E+03 F= 0.62724143E+03 E0= 0.65610246E+03 EK= 0.51939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333911634455E+03 -0.54997E-01 -0.17525E-01 8004 0.240E+01 0.276E-01 RMM: 2 -0.333922100632E+03 -0.10466E-01 -0.72211E-02 5255 0.632E-01 0.908E-01 RMM: 3 -0.333916521566E+03 0.55791E-02 -0.68392E-03 5533 0.173E-01 0.181E-01 RMM: 4 -0.333916888549E+03 -0.36698E-03 -0.11827E-03 4640 0.838E-02 0.311E-01 RMM: 5 -0.333916264184E+03 0.62437E-03 -0.36457E-04 3964 0.486E-02 0.107E-01 RMM: 6 -0.333916201697E+03 0.62487E-04 -0.78421E-05 3552 0.245E-02 0.561E-02 RMM: 7 -0.333916224007E+03 -0.22310E-04 -0.53143E-05 3277 0.202E-02 0.836E-02 RMM: 8 -0.333916179659E+03 0.44349E-04 -0.30213E-05 2905 0.176E-02 0.190E-02 RMM: 9 -0.333916185153E+03 -0.54940E-05 -0.92432E-06 2461 0.843E-03 8683 T= 6602. E= 0.68201521E+03 F= 0.62740095E+03 E0= 0.65624628E+03 EK= 0.54614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333834389535E+03 0.81790E-01 -0.18215E-01 7908 0.245E+01 0.268E-01 RMM: 2 -0.333843946430E+03 -0.95569E-02 -0.82469E-02 5215 0.674E-01 0.729E-01 RMM: 3 -0.333840367567E+03 0.35789E-02 -0.78488E-03 5612 0.179E-01 0.215E-01 RMM: 4 -0.333840631503E+03 -0.26394E-03 -0.10920E-03 4655 0.803E-02 0.310E-01 RMM: 5 -0.333839980980E+03 0.65052E-03 -0.36332E-04 3992 0.483E-02 0.956E-02 RMM: 6 -0.333839933831E+03 0.47149E-04 -0.79689E-05 3548 0.249E-02 0.555E-02 RMM: 7 -0.333839949648E+03 -0.15817E-04 -0.48060E-05 3163 0.195E-02 8684 T= 6854. E= 0.68439769E+03 F= 0.62769274E+03 E0= 0.65651643E+03 EK= 0.56705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333623642719E+03 0.21629E+00 -0.18634E-01 7968 0.247E+01 0.276E-01 RMM: 2 -0.333634135157E+03 -0.10492E-01 -0.89754E-02 5151 0.714E-01 0.760E-01 RMM: 3 -0.333630364799E+03 0.37704E-02 -0.93564E-03 5694 0.190E-01 0.204E-01 RMM: 4 -0.333630625235E+03 -0.26044E-03 -0.10983E-03 4715 0.801E-02 0.314E-01 RMM: 5 -0.333629946157E+03 0.67908E-03 -0.36169E-04 3982 0.483E-02 0.815E-02 RMM: 6 -0.333629940805E+03 0.53525E-05 -0.88424E-05 3620 0.255E-02 8685 T= 6934. E= 0.68547541E+03 F= 0.62811668E+03 E0= 0.65691423E+03 EK= 0.57359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333317263918E+03 0.31268E+00 -0.19734E-01 7548 0.246E+01 0.344E-01 RMM: 2 -0.333343603569E+03 -0.26340E-01 -0.12429E-01 4906 0.828E-01 0.157E+00 RMM: 3 -0.333326639965E+03 0.16964E-01 -0.15739E-02 5391 0.283E-01 0.284E-01 RMM: 4 -0.333326424084E+03 0.21588E-03 -0.19266E-03 5045 0.945E-02 0.241E-01 RMM: 5 -0.333326144685E+03 0.27940E-03 -0.39543E-04 4061 0.489E-02 0.155E-01 RMM: 6 -0.333325999837E+03 0.14485E-03 -0.13207E-04 3867 0.314E-02 0.643E-02 RMM: 7 -0.333326052571E+03 -0.52733E-04 -0.88199E-05 3672 0.251E-02 0.109E-01 RMM: 8 -0.333325981826E+03 0.70745E-04 -0.42059E-05 3130 0.203E-02 0.382E-02 RMM: 9 -0.333325976129E+03 0.56965E-05 -0.12548E-05 2498 0.104E-02 8686 T= 6807. E= 0.68494931E+03 F= 0.62863573E+03 E0= 0.65740393E+03 EK= 0.56314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332992276969E+03 0.33370E+00 -0.18379E-01 7584 0.242E+01 0.365E-01 RMM: 2 -0.333020972082E+03 -0.28695E-01 -0.10040E-01 5017 0.765E-01 0.179E+00 RMM: 3 -0.332999278718E+03 0.21693E-01 -0.14746E-02 5366 0.289E-01 0.331E-01 RMM: 4 -0.332998659668E+03 0.61905E-03 -0.19745E-03 5022 0.972E-02 0.178E-01 RMM: 5 -0.332998620801E+03 0.38867E-04 -0.35396E-04 4059 0.472E-02 0.188E-01 RMM: 6 -0.332998398439E+03 0.22236E-03 -0.14619E-04 3876 0.340E-02 0.548E-02 RMM: 7 -0.332998449533E+03 -0.51093E-04 -0.81376E-05 3580 0.238E-02 0.105E-01 RMM: 8 -0.332998378812E+03 0.70721E-04 -0.41271E-05 3122 0.207E-02 0.283E-02 RMM: 9 -0.332998375291E+03 0.35203E-05 -0.84281E-06 2466 0.832E-03 8687 T= 6536. E= 0.68325343E+03 F= 0.62918228E+03 E0= 0.65791900E+03 EK= 0.54071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332718851186E+03 0.27953E+00 -0.17297E-01 7764 0.237E+01 0.274E-01 RMM: 2 -0.332733650052E+03 -0.14799E-01 -0.75236E-02 5163 0.648E-01 0.117E+00 RMM: 3 -0.332724240669E+03 0.94094E-02 -0.82481E-03 5426 0.201E-01 0.205E-01 RMM: 4 -0.332724262143E+03 -0.21474E-04 -0.11453E-03 4658 0.786E-02 0.237E-01 RMM: 5 -0.332723957572E+03 0.30457E-03 -0.38673E-04 4356 0.539E-02 0.135E-01 RMM: 6 -0.332723866668E+03 0.90904E-04 -0.12367E-04 3870 0.295E-02 0.766E-02 RMM: 7 -0.332723897609E+03 -0.30942E-04 -0.78127E-05 3603 0.248E-02 0.102E-01 RMM: 8 -0.332723830501E+03 0.67109E-04 -0.37878E-05 3117 0.196E-02 0.275E-02 RMM: 9 -0.332723831656E+03 -0.11554E-05 -0.90394E-06 2472 0.839E-03 8688 T= 6235. E= 0.68125931E+03 F= 0.62968124E+03 E0= 0.65838707E+03 EK= 0.51578E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332555788951E+03 0.16804E+00 -0.16817E-01 7776 0.233E+01 0.242E-01 RMM: 2 -0.332565978538E+03 -0.10190E-01 -0.74231E-02 5058 0.646E-01 0.820E-01 RMM: 3 -0.332561302236E+03 0.46763E-02 -0.77101E-03 5530 0.182E-01 0.171E-01 RMM: 4 -0.332561450091E+03 -0.14786E-03 -0.91856E-04 4642 0.734E-02 0.253E-01 RMM: 5 -0.332561069272E+03 0.38082E-03 -0.33727E-04 4156 0.497E-02 0.115E-01 RMM: 6 -0.332561027623E+03 0.41649E-04 -0.13166E-04 3872 0.313E-02 0.852E-02 RMM: 7 -0.332561045508E+03 -0.17885E-04 -0.54313E-05 3346 0.216E-02 8689 T= 6012. E= 0.67980746E+03 F= 0.63007390E+03 E0= 0.65875167E+03 EK= 0.49734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332526389436E+03 0.34638E-01 -0.16878E-01 7716 0.231E+01 0.254E-01 RMM: 2 -0.332534224182E+03 -0.78347E-02 -0.74340E-02 5033 0.640E-01 0.574E-01 RMM: 3 -0.332531925732E+03 0.22984E-02 -0.75955E-03 5582 0.171E-01 0.193E-01 RMM: 4 -0.332532270196E+03 -0.34446E-03 -0.91849E-04 4661 0.756E-02 0.328E-01 RMM: 5 -0.332531556267E+03 0.71393E-03 -0.43852E-04 4420 0.563E-02 0.836E-02 RMM: 6 -0.332531612981E+03 -0.56714E-04 -0.14251E-04 3879 0.309E-02 0.125E-01 RMM: 7 -0.332531547279E+03 0.65703E-04 -0.61362E-05 3450 0.236E-02 0.781E-02 RMM: 8 -0.332531510933E+03 0.36346E-04 -0.23879E-05 2776 0.152E-02 0.260E-02 RMM: 9 -0.332531520313E+03 -0.93801E-05 -0.11907E-05 2478 0.972E-03 8690 T= 5935. E= 0.67943223E+03 F= 0.63033707E+03 E0= 0.65898867E+03 EK= 0.49095E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332612284963E+03 -0.80774E-01 -0.16277E-01 8016 0.232E+01 0.225E-01 RMM: 2 -0.332619642959E+03 -0.73580E-02 -0.59957E-02 5044 0.583E-01 0.663E-01 RMM: 3 -0.332616556046E+03 0.30869E-02 -0.59050E-03 5492 0.158E-01 0.150E-01 RMM: 4 -0.332616883258E+03 -0.32721E-03 -0.81397E-04 4616 0.707E-02 0.283E-01 RMM: 5 -0.332616361101E+03 0.52216E-03 -0.29826E-04 3985 0.462E-02 0.873E-02 RMM: 6 -0.332616329428E+03 0.31673E-04 -0.85620E-05 3576 0.262E-02 0.587E-02 RMM: 7 -0.332616339925E+03 -0.10497E-04 -0.28775E-05 2800 0.165E-02 8691 T= 6022. E= 0.68030339E+03 F= 0.63048695E+03 E0= 0.65911926E+03 EK= 0.49816E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332754061308E+03 -0.13773E+00 -0.16497E-01 7908 0.236E+01 0.282E-01 RMM: 2 -0.332760967405E+03 -0.69061E-02 -0.65286E-02 5118 0.622E-01 0.628E-01 RMM: 3 -0.332758512670E+03 0.24547E-02 -0.68644E-03 5482 0.172E-01 0.204E-01 RMM: 4 -0.332759074622E+03 -0.56195E-03 -0.99019E-04 4628 0.762E-02 0.372E-01 RMM: 5 -0.332758134819E+03 0.93980E-03 -0.42699E-04 4273 0.532E-02 0.805E-02 RMM: 6 -0.332758147828E+03 -0.13009E-04 -0.10267E-04 3744 0.270E-02 8692 T= 6245. E= 0.68223856E+03 F= 0.63057821E+03 E0= 0.65919806E+03 EK= 0.51660E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332869872064E+03 -0.11174E+00 -0.17094E-01 7740 0.242E+01 0.345E-01 RMM: 2 -0.332888481494E+03 -0.18609E-01 -0.69136E-02 5143 0.637E-01 0.146E+00 RMM: 3 -0.332874091607E+03 0.14390E-01 -0.10202E-02 5338 0.241E-01 0.245E-01 RMM: 4 -0.332874268674E+03 -0.17707E-03 -0.15895E-03 4764 0.889E-02 0.307E-01 RMM: 5 -0.332873752544E+03 0.51613E-03 -0.37196E-04 4083 0.485E-02 0.155E-01 RMM: 6 -0.332873606209E+03 0.14634E-03 -0.12378E-04 3816 0.314E-02 0.600E-02 RMM: 7 -0.332873645400E+03 -0.39191E-04 -0.66050E-05 3441 0.224E-02 0.960E-02 RMM: 8 -0.332873591490E+03 0.53910E-04 -0.33272E-05 2971 0.183E-02 0.357E-02 RMM: 9 -0.332873587594E+03 0.38965E-05 -0.13233E-05 2484 0.106E-02 8693 T= 6529. E= 0.68470519E+03 F= 0.63069250E+03 E0= 0.65930945E+03 EK= 0.54013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332869496168E+03 0.40953E-02 -0.17697E-01 7608 0.248E+01 0.355E-01 RMM: 2 -0.332892380600E+03 -0.22884E-01 -0.80806E-02 5102 0.698E-01 0.161E+00 RMM: 3 -0.332874690492E+03 0.17690E-01 -0.11717E-02 5337 0.258E-01 0.292E-01 RMM: 4 -0.332874567258E+03 0.12323E-03 -0.19842E-03 4979 0.101E-01 0.278E-01 RMM: 5 -0.332874209292E+03 0.35797E-03 -0.38581E-04 4183 0.508E-02 0.177E-01 RMM: 6 -0.332873993576E+03 0.21572E-03 -0.10633E-04 3738 0.287E-02 0.355E-02 RMM: 7 -0.332874015875E+03 -0.22299E-04 -0.47282E-05 3155 0.185E-02 0.762E-02 RMM: 8 -0.332873978131E+03 0.37744E-04 -0.32653E-05 2833 0.186E-02 0.225E-02 RMM: 9 -0.332873978719E+03 -0.58789E-06 -0.93278E-06 2458 0.867E-03 8694 T= 6768. E= 0.68690392E+03 F= 0.63091843E+03 E0= 0.65954588E+03 EK= 0.55985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332690665786E+03 0.18331E+00 -0.17957E-01 7608 0.252E+01 0.293E-01 RMM: 2 -0.332701263716E+03 -0.10598E-01 -0.75847E-02 5145 0.665E-01 0.905E-01 RMM: 3 -0.332695888507E+03 0.53752E-02 -0.82085E-03 5388 0.197E-01 0.207E-01 RMM: 4 -0.332696357829E+03 -0.46932E-03 -0.12621E-03 4712 0.842E-02 0.345E-01 RMM: 5 -0.332695570516E+03 0.78731E-03 -0.38435E-04 4103 0.492E-02 0.105E-01 RMM: 6 -0.332695518096E+03 0.52420E-04 -0.92209E-05 3660 0.262E-02 0.668E-02 RMM: 7 -0.332695542322E+03 -0.24226E-04 -0.60155E-05 3392 0.212E-02 0.948E-02 RMM: 8 -0.332695484518E+03 0.57804E-04 -0.35191E-05 2987 0.187E-02 0.262E-02 RMM: 9 -0.332695486540E+03 -0.20223E-05 -0.12204E-05 2479 0.983E-03 8695 T= 6859. E= 0.68806000E+03 F= 0.63132136E+03 E0= 0.65997368E+03 EK= 0.56739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332323765196E+03 0.37172E+00 -0.17849E-01 7596 0.251E+01 0.278E-01 RMM: 2 -0.332334881229E+03 -0.11116E-01 -0.83925E-02 5068 0.698E-01 0.879E-01 RMM: 3 -0.332329816669E+03 0.50646E-02 -0.90071E-03 5499 0.195E-01 0.175E-01 RMM: 4 -0.332330215772E+03 -0.39910E-03 -0.11442E-03 4710 0.815E-02 0.321E-01 RMM: 5 -0.332329543302E+03 0.67247E-03 -0.36563E-04 4146 0.493E-02 0.104E-01 RMM: 6 -0.332329497569E+03 0.45733E-04 -0.94989E-05 3661 0.264E-02 0.695E-02 RMM: 7 -0.332329528960E+03 -0.31390E-04 -0.60040E-05 3392 0.214E-02 0.981E-02 RMM: 8 -0.332329466868E+03 0.62092E-04 -0.33031E-05 2957 0.185E-02 0.200E-02 RMM: 9 -0.332329471951E+03 -0.50834E-05 -0.10981E-05 2467 0.910E-03 8696 T= 6761. E= 0.68784356E+03 F= 0.63191240E+03 E0= 0.66060420E+03 EK= 0.55931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331824286680E+03 0.50518E+00 -0.18890E-01 7572 0.248E+01 0.247E-01 RMM: 2 -0.331834979007E+03 -0.10692E-01 -0.10092E-01 4967 0.760E-01 0.636E-01 RMM: 3 -0.331832233858E+03 0.27451E-02 -0.10834E-02 5776 0.197E-01 0.172E-01 RMM: 4 -0.331832403373E+03 -0.16952E-03 -0.94089E-04 4724 0.754E-02 0.287E-01 RMM: 5 -0.331831853428E+03 0.54995E-03 -0.34972E-04 4148 0.491E-02 0.883E-02 RMM: 6 -0.331831856859E+03 -0.34307E-05 -0.13330E-04 3870 0.314E-02 8697 T= 6520. E= 0.68657861E+03 F= 0.63263809E+03 E0= 0.66138133E+03 EK= 0.53941E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331302030225E+03 0.52982E+00 -0.17662E-01 7464 0.242E+01 0.351E-01 RMM: 2 -0.331326084975E+03 -0.24055E-01 -0.94508E-02 5070 0.759E-01 0.161E+00 RMM: 3 -0.331308703221E+03 0.17382E-01 -0.12829E-02 5358 0.265E-01 0.305E-01 RMM: 4 -0.331308235889E+03 0.46733E-03 -0.16927E-03 4854 0.899E-02 0.195E-01 RMM: 5 -0.331308134571E+03 0.10132E-03 -0.52078E-04 4589 0.602E-02 0.182E-01 RMM: 6 -0.331307970048E+03 0.16452E-03 -0.22611E-04 3882 0.399E-02 0.982E-02 RMM: 7 -0.331308034131E+03 -0.64083E-04 -0.13215E-04 3869 0.316E-02 0.136E-01 RMM: 8 -0.331307921037E+03 0.11309E-03 -0.66044E-05 3465 0.246E-02 0.435E-02 RMM: 9 -0.331307915897E+03 0.51404E-05 -0.14283E-05 2522 0.110E-02 8698 T= 6241. E= 0.68502660E+03 F= 0.63339466E+03 E0= 0.66219826E+03 EK= 0.51632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330870174084E+03 0.43775E+00 -0.16545E-01 7560 0.237E+01 0.273E-01 RMM: 2 -0.330886156070E+03 -0.15982E-01 -0.83356E-02 5020 0.692E-01 0.119E+00 RMM: 3 -0.330876452384E+03 0.97037E-02 -0.97888E-03 5368 0.222E-01 0.246E-01 RMM: 4 -0.330876256356E+03 0.19603E-03 -0.13161E-03 4752 0.824E-02 0.199E-01 RMM: 5 -0.330876081886E+03 0.17447E-03 -0.37712E-04 4376 0.522E-02 0.149E-01 RMM: 6 -0.330875957240E+03 0.12465E-03 -0.14522E-04 3873 0.330E-02 0.652E-02 RMM: 7 -0.330876012794E+03 -0.55554E-04 -0.66336E-05 3450 0.226E-02 0.111E-01 RMM: 8 -0.330875933382E+03 0.79412E-04 -0.35281E-05 3016 0.193E-02 0.277E-02 RMM: 9 -0.330875930848E+03 0.25339E-05 -0.80852E-06 2464 0.808E-03 8699 T= 6032. E= 0.68396712E+03 F= 0.63406378E+03 E0= 0.66293031E+03 EK= 0.49903E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330632759595E+03 0.24317E+00 -0.16089E-01 7860 0.234E+01 0.305E-01 RMM: 2 -0.330651062859E+03 -0.18303E-01 -0.85768E-02 5042 0.721E-01 0.136E+00 RMM: 3 -0.330638847885E+03 0.12215E-01 -0.10469E-02 5385 0.231E-01 0.232E-01 RMM: 4 -0.330638715193E+03 0.13269E-03 -0.13639E-03 4707 0.826E-02 0.217E-01 RMM: 5 -0.330638544768E+03 0.17043E-03 -0.43996E-04 4514 0.567E-02 0.170E-01 RMM: 6 -0.330638381629E+03 0.16314E-03 -0.15800E-04 3876 0.330E-02 0.763E-02 RMM: 7 -0.330638409188E+03 -0.27559E-04 -0.88587E-05 3634 0.270E-02 0.993E-02 RMM: 8 -0.330638346342E+03 0.62846E-04 -0.38770E-05 3163 0.194E-02 0.252E-02 RMM: 9 -0.330638350779E+03 -0.44367E-05 -0.10685E-05 2473 0.935E-03 8700 T= 5968. E= 0.68390967E+03 F= 0.63454137E+03 E0= 0.66346994E+03 EK= 0.49368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330658784096E+03 -0.20438E-01 -0.16906E-01 7848 0.234E+01 0.254E-01 RMM: 2 -0.330670496847E+03 -0.11713E-01 -0.86008E-02 4877 0.708E-01 0.871E-01 RMM: 3 -0.330665415600E+03 0.50812E-02 -0.97250E-03 5557 0.200E-01 0.190E-01 RMM: 4 -0.330665551171E+03 -0.13557E-03 -0.11058E-03 4736 0.803E-02 0.268E-01 RMM: 5 -0.330665099676E+03 0.45149E-03 -0.37576E-04 4270 0.514E-02 0.103E-01 RMM: 6 -0.330665075128E+03 0.24548E-04 -0.12946E-04 3851 0.304E-02 0.849E-02 RMM: 7 -0.330665087434E+03 -0.12306E-04 -0.49919E-05 3292 0.209E-02 8701 T= 6074. E= 0.68500475E+03 F= 0.63475491E+03 E0= 0.66374121E+03 EK= 0.50250E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330977100773E+03 -0.31203E+00 -0.17862E-01 7788 0.237E+01 0.277E-01 RMM: 2 -0.330987931096E+03 -0.10830E-01 -0.91777E-02 4914 0.731E-01 0.769E-01 RMM: 3 -0.330984052937E+03 0.38782E-02 -0.10229E-02 5770 0.195E-01 0.192E-01 RMM: 4 -0.330984359989E+03 -0.30705E-03 -0.12387E-03 4809 0.868E-02 0.332E-01 RMM: 5 -0.330983665295E+03 0.69469E-03 -0.46732E-04 4430 0.567E-02 0.105E-01 RMM: 6 -0.330983651185E+03 0.14110E-04 -0.11862E-04 3812 0.285E-02 8702 T= 6328. E= 0.68702470E+03 F= 0.63467444E+03 E0= 0.66371228E+03 EK= 0.52350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331571556203E+03 -0.58789E+00 -0.19191E-01 7668 0.242E+01 0.381E-01 RMM: 2 -0.331598521335E+03 -0.26965E-01 -0.11929E-01 4856 0.840E-01 0.166E+00 RMM: 3 -0.331580252025E+03 0.18269E-01 -0.17187E-02 5359 0.305E-01 0.290E-01 RMM: 4 -0.331580049491E+03 0.20253E-03 -0.20629E-03 5032 0.945E-02 0.257E-01 RMM: 5 -0.331579830532E+03 0.21896E-03 -0.45921E-04 4334 0.520E-02 0.196E-01 RMM: 6 -0.331579584261E+03 0.24627E-03 -0.20002E-04 3879 0.379E-02 0.629E-02 RMM: 7 -0.331579627297E+03 -0.43036E-04 -0.78169E-05 3558 0.239E-02 0.102E-01 RMM: 8 -0.331579574658E+03 0.52639E-04 -0.33625E-05 2992 0.183E-02 0.500E-02 RMM: 9 -0.331579561786E+03 0.12872E-04 -0.14156E-05 2502 0.112E-02 8703 T= 6652. E= 0.68933972E+03 F= 0.63431314E+03 E0= 0.66339412E+03 EK= 0.55027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332392941492E+03 -0.81337E+00 -0.19984E-01 7752 0.247E+01 0.364E-01 RMM: 2 -0.332417510428E+03 -0.24569E-01 -0.11562E-01 4858 0.827E-01 0.154E+00 RMM: 3 -0.332401372460E+03 0.16138E-01 -0.15678E-02 5369 0.288E-01 0.319E-01 RMM: 4 -0.332401053863E+03 0.31860E-03 -0.22775E-03 5192 0.106E-01 0.259E-01 RMM: 5 -0.332400752532E+03 0.30133E-03 -0.43980E-04 4274 0.522E-02 0.172E-01 RMM: 6 -0.332400561631E+03 0.19090E-03 -0.12161E-04 3807 0.295E-02 0.480E-02 RMM: 7 -0.332400582284E+03 -0.20653E-04 -0.53294E-05 3275 0.194E-02 0.795E-02 RMM: 8 -0.332400544635E+03 0.37649E-04 -0.33150E-05 2885 0.186E-02 0.329E-02 RMM: 9 -0.332400539650E+03 0.49854E-05 -0.97953E-06 2469 0.923E-03 8704 T= 6923. E= 0.69099976E+03 F= 0.63372386E+03 E0= 0.66283912E+03 EK= 0.57276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333363685003E+03 -0.96314E+00 -0.21203E-01 7764 0.250E+01 0.334E-01 RMM: 2 -0.333383730516E+03 -0.20046E-01 -0.11416E-01 4856 0.823E-01 0.130E+00 RMM: 3 -0.333372262445E+03 0.11468E-01 -0.13910E-02 5423 0.258E-01 0.233E-01 RMM: 4 -0.333372531916E+03 -0.26947E-03 -0.18398E-03 5056 0.981E-02 0.330E-01 RMM: 5 -0.333371922017E+03 0.60990E-03 -0.48186E-04 4472 0.553E-02 0.158E-01 RMM: 6 -0.333371775340E+03 0.14668E-03 -0.13907E-04 3841 0.307E-02 0.623E-02 RMM: 7 -0.333371830553E+03 -0.55212E-04 -0.77277E-05 3573 0.238E-02 0.112E-01 RMM: 8 -0.333371752506E+03 0.78046E-04 -0.38543E-05 3096 0.194E-02 0.343E-02 RMM: 9 -0.333371750821E+03 0.16858E-05 -0.13492E-05 2496 0.105E-02 8705 T= 7024. E= 0.69108827E+03 F= 0.63298381E+03 E0= 0.66212543E+03 EK= 0.58104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334412366832E+03 -0.10406E+01 -0.20950E-01 7680 0.249E+01 0.314E-01 RMM: 2 -0.334428893785E+03 -0.16527E-01 -0.10580E-01 4897 0.801E-01 0.115E+00 RMM: 3 -0.334420085841E+03 0.88079E-02 -0.12352E-02 5467 0.242E-01 0.221E-01 RMM: 4 -0.334420301990E+03 -0.21615E-03 -0.15143E-03 4948 0.913E-02 0.304E-01 RMM: 5 -0.334419807978E+03 0.49401E-03 -0.40407E-04 4222 0.507E-02 0.168E-01 RMM: 6 -0.334419639299E+03 0.16868E-03 -0.16351E-04 3876 0.346E-02 0.622E-02 RMM: 7 -0.334419705715E+03 -0.66416E-04 -0.77643E-05 3553 0.238E-02 0.117E-01 RMM: 8 -0.334419620065E+03 0.85650E-04 -0.39434E-05 3095 0.201E-02 0.290E-02 RMM: 9 -0.334419620577E+03 -0.51196E-06 -0.11310E-05 2481 0.957E-03 8706 T= 6901. E= 0.68925640E+03 F= 0.63217004E+03 E0= 0.66133221E+03 EK= 0.57086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335481789994E+03 -0.10622E+01 -0.20703E-01 7692 0.245E+01 0.283E-01 RMM: 2 -0.335498282691E+03 -0.16493E-01 -0.11298E-01 4779 0.824E-01 0.105E+00 RMM: 3 -0.335490577232E+03 0.77055E-02 -0.12853E-02 5522 0.238E-01 0.194E-01 RMM: 4 -0.335490837009E+03 -0.25978E-03 -0.14723E-03 5036 0.935E-02 0.308E-01 RMM: 5 -0.335490302149E+03 0.53486E-03 -0.45202E-04 4476 0.553E-02 0.145E-01 RMM: 6 -0.335490199921E+03 0.10223E-03 -0.15257E-04 3877 0.322E-02 0.788E-02 RMM: 7 -0.335490234316E+03 -0.34395E-04 -0.72524E-05 3526 0.240E-02 0.107E-01 RMM: 8 -0.335490162122E+03 0.72194E-04 -0.37946E-05 3108 0.193E-02 0.263E-02 RMM: 9 -0.335490164417E+03 -0.22945E-05 -0.92258E-06 2473 0.849E-03 8707 T= 6606. E= 0.68598536E+03 F= 0.63134008E+03 E0= 0.66051948E+03 EK= 0.54645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336550824005E+03 -0.10607E+01 -0.18827E-01 7692 0.238E+01 0.275E-01 RMM: 2 -0.336562645188E+03 -0.11821E-01 -0.91875E-02 4903 0.742E-01 0.868E-01 RMM: 3 -0.336557648031E+03 0.49972E-02 -0.10402E-02 5501 0.216E-01 0.189E-01 RMM: 4 -0.336557908762E+03 -0.26073E-03 -0.11366E-03 4794 0.820E-02 0.297E-01 RMM: 5 -0.336557388823E+03 0.51994E-03 -0.41068E-04 4464 0.537E-02 0.141E-01 RMM: 6 -0.336557306789E+03 0.82034E-04 -0.18094E-04 3880 0.354E-02 0.905E-02 RMM: 7 -0.336557323771E+03 -0.16981E-04 -0.68892E-05 3508 0.248E-02 8708 T= 6257. E= 0.68228652E+03 F= 0.63052236E+03 E0= 0.65971813E+03 EK= 0.51764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337607789366E+03 -0.10505E+01 -0.18005E-01 7740 0.232E+01 0.293E-01 RMM: 2 -0.337618146146E+03 -0.10357E-01 -0.82750E-02 4951 0.703E-01 0.814E-01 RMM: 3 -0.337613793292E+03 0.43529E-02 -0.92573E-03 5531 0.202E-01 0.228E-01 RMM: 4 -0.337613979782E+03 -0.18649E-03 -0.11874E-03 4751 0.843E-02 0.313E-01 RMM: 5 -0.337613371569E+03 0.60821E-03 -0.57916E-04 4596 0.655E-02 0.125E-01 RMM: 6 -0.337613382925E+03 -0.11356E-04 -0.21013E-04 3885 0.376E-02 0.132E-01 RMM: 7 -0.337613357199E+03 0.25726E-04 -0.10021E-04 3781 0.299E-02 0.116E-01 RMM: 8 -0.337613271972E+03 0.85227E-04 -0.48735E-05 3285 0.206E-02 0.300E-02 RMM: 9 -0.337613283870E+03 -0.11898E-04 -0.14758E-05 2513 0.109E-02 8709 T= 5976. E= 0.67915936E+03 F= 0.62972507E+03 E0= 0.65893798E+03 EK= 0.49434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338643247573E+03 -0.10300E+01 -0.17274E-01 7836 0.227E+01 0.237E-01 RMM: 2 -0.338652124603E+03 -0.88770E-02 -0.75409E-02 4865 0.665E-01 0.695E-01 RMM: 3 -0.338648882591E+03 0.32420E-02 -0.82890E-03 5564 0.187E-01 0.169E-01 RMM: 4 -0.338649155760E+03 -0.27317E-03 -0.92332E-04 4666 0.756E-02 0.292E-01 RMM: 5 -0.338648620930E+03 0.53483E-03 -0.39628E-04 4479 0.545E-02 0.101E-01 RMM: 6 -0.338648601676E+03 0.19254E-04 -0.14453E-04 3869 0.318E-02 8710 T= 5839. E= 0.67726019E+03 F= 0.62895580E+03 E0= 0.65818527E+03 EK= 0.48304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339637409575E+03 -0.98879E+00 -0.16569E-01 7704 0.225E+01 0.347E-01 RMM: 2 -0.339653436246E+03 -0.16027E-01 -0.69950E-02 5019 0.646E-01 0.132E+00 RMM: 3 -0.339641772712E+03 0.11664E-01 -0.97150E-03 5353 0.230E-01 0.281E-01 RMM: 4 -0.339641870683E+03 -0.97972E-04 -0.17473E-03 4890 0.970E-02 0.315E-01 RMM: 5 -0.339641240628E+03 0.63006E-03 -0.62343E-04 4606 0.660E-02 0.135E-01 RMM: 6 -0.339641203228E+03 0.37400E-04 -0.20452E-04 3881 0.368E-02 0.115E-01 RMM: 7 -0.339641220467E+03 -0.17239E-04 -0.89933E-05 3739 0.274E-02 8711 T= 5877. E= 0.67684754E+03 F= 0.62823304E+03 E0= 0.65747890E+03 EK= 0.48614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340542682556E+03 -0.90148E+00 -0.16397E-01 7968 0.227E+01 0.365E-01 RMM: 2 -0.340561026830E+03 -0.18344E-01 -0.63489E-02 5108 0.639E-01 0.152E+00 RMM: 3 -0.340546084298E+03 0.14943E-01 -0.95424E-03 5342 0.238E-01 0.306E-01 RMM: 4 -0.340545864023E+03 0.22027E-03 -0.18269E-03 4838 0.993E-02 0.268E-01 RMM: 5 -0.340545651426E+03 0.21260E-03 -0.44123E-04 4362 0.538E-02 0.217E-01 RMM: 6 -0.340545350514E+03 0.30091E-03 -0.17911E-04 3876 0.363E-02 0.594E-02 RMM: 7 -0.340545422340E+03 -0.71826E-04 -0.82013E-05 3568 0.240E-02 0.119E-01 RMM: 8 -0.340545339227E+03 0.83113E-04 -0.41841E-05 3139 0.207E-02 0.353E-02 RMM: 9 -0.340545336425E+03 0.28027E-05 -0.11381E-05 2486 0.984E-03 8712 T= 6072. E= 0.67782791E+03 F= 0.62759862E+03 E0= 0.65685760E+03 EK= 0.50229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341285098036E+03 -0.73976E+00 -0.17421E-01 7776 0.231E+01 0.266E-01 RMM: 2 -0.341294566638E+03 -0.94686E-02 -0.72490E-02 5002 0.627E-01 0.791E-01 RMM: 3 -0.341290171834E+03 0.43948E-02 -0.78924E-03 5462 0.184E-01 0.201E-01 RMM: 4 -0.341290711217E+03 -0.53938E-03 -0.12192E-03 4735 0.841E-02 0.359E-01 RMM: 5 -0.341289879339E+03 0.83188E-03 -0.43703E-04 4287 0.539E-02 0.101E-01 RMM: 6 -0.341289824722E+03 0.54617E-04 -0.90357E-05 3643 0.253E-02 0.558E-02 RMM: 7 -0.341289844210E+03 -0.19488E-04 -0.39694E-05 3053 0.182E-02 8713 T= 6364. E= 0.67976671E+03 F= 0.62712052E+03 E0= 0.65638730E+03 EK= 0.52646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341784133944E+03 -0.49431E+00 -0.17834E-01 7992 0.236E+01 0.328E-01 RMM: 2 -0.341794409344E+03 -0.10275E-01 -0.71028E-02 5134 0.651E-01 0.955E-01 RMM: 3 -0.341788508596E+03 0.59007E-02 -0.83740E-03 5436 0.197E-01 0.232E-01 RMM: 4 -0.341789047225E+03 -0.53863E-03 -0.15458E-03 4730 0.937E-02 0.381E-01 RMM: 5 -0.341788107043E+03 0.94018E-03 -0.50690E-04 4386 0.570E-02 0.118E-01 RMM: 6 -0.341788045917E+03 0.61126E-04 -0.10648E-04 3755 0.264E-02 0.778E-02 RMM: 7 -0.341788074354E+03 -0.28437E-04 -0.77145E-05 3597 0.236E-02 0.103E-01 RMM: 8 -0.341788005975E+03 0.68379E-04 -0.43703E-05 3180 0.205E-02 0.241E-02 RMM: 9 -0.341788013147E+03 -0.71721E-05 -0.11415E-05 2487 0.956E-03 8714 T= 6652. E= 0.68191313E+03 F= 0.62688418E+03 E0= 0.65615186E+03 EK= 0.55029E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341954796159E+03 -0.16679E+00 -0.19049E-01 7680 0.240E+01 0.273E-01 RMM: 2 -0.341965214874E+03 -0.10419E-01 -0.98732E-02 4852 0.736E-01 0.661E-01 RMM: 3 -0.341962155272E+03 0.30596E-02 -0.11010E-02 5684 0.202E-01 0.203E-01 RMM: 4 -0.341962588444E+03 -0.43317E-03 -0.11952E-03 4786 0.838E-02 0.356E-01 RMM: 5 -0.341961763242E+03 0.82520E-03 -0.42649E-04 4334 0.530E-02 0.101E-01 RMM: 6 -0.341961710860E+03 0.52382E-04 -0.10297E-04 3732 0.268E-02 0.559E-02 RMM: 7 -0.341961728363E+03 -0.17503E-04 -0.34163E-05 2951 0.171E-02 8715 T= 6821. E= 0.68339725E+03 F= 0.62696850E+03 E0= 0.65622932E+03 EK= 0.56429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341770314384E+03 0.19140E+00 -0.17978E-01 7776 0.241E+01 0.292E-01 RMM: 2 -0.341777949098E+03 -0.76347E-02 -0.67613E-02 5169 0.621E-01 0.711E-01 RMM: 3 -0.341774723927E+03 0.32252E-02 -0.69301E-03 5550 0.172E-01 0.218E-01 RMM: 4 -0.341775274878E+03 -0.55095E-03 -0.11834E-03 4652 0.843E-02 0.376E-01 RMM: 5 -0.341774326818E+03 0.94806E-03 -0.48032E-04 4307 0.561E-02 0.910E-02 RMM: 6 -0.341774327546E+03 -0.72793E-06 -0.13109E-04 3857 0.298E-02 8716 T= 6797. E= 0.68364105E+03 F= 0.62741249E+03 E0= 0.65665950E+03 EK= 0.56229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341245877817E+03 0.52845E+00 -0.17947E-01 7824 0.239E+01 0.348E-01 RMM: 2 -0.341268456711E+03 -0.22579E-01 -0.76949E-02 5078 0.664E-01 0.162E+00 RMM: 3 -0.341250759918E+03 0.17697E-01 -0.10832E-02 5356 0.246E-01 0.281E-01 RMM: 4 -0.341250616988E+03 0.14293E-03 -0.17355E-03 4834 0.934E-02 0.259E-01 RMM: 5 -0.341250339412E+03 0.27758E-03 -0.51016E-04 4578 0.586E-02 0.184E-01 RMM: 6 -0.341250151549E+03 0.18786E-03 -0.21119E-04 3893 0.388E-02 0.801E-02 RMM: 7 -0.341250222885E+03 -0.71335E-04 -0.95534E-05 3762 0.269E-02 0.129E-01 RMM: 8 -0.341250121537E+03 0.10135E-03 -0.49696E-05 3261 0.217E-02 0.413E-02 RMM: 9 -0.341250116319E+03 0.52181E-05 -0.13122E-05 2504 0.105E-02 8717 T= 6591. E= 0.68271730E+03 F= 0.62819462E+03 E0= 0.65742348E+03 EK= 0.54523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340477508744E+03 0.77261E+00 -0.17350E-01 7740 0.234E+01 0.377E-01 RMM: 2 -0.340510539280E+03 -0.33031E-01 -0.80791E-02 5157 0.693E-01 0.202E+00 RMM: 3 -0.340482507481E+03 0.28032E-01 -0.13454E-02 5341 0.284E-01 0.326E-01 RMM: 4 -0.340481934407E+03 0.57307E-03 -0.19950E-03 4924 0.985E-02 0.194E-01 RMM: 5 -0.340481916695E+03 0.17712E-04 -0.47839E-04 4562 0.579E-02 0.210E-01 RMM: 6 -0.340481635585E+03 0.28111E-03 -0.17418E-04 3882 0.354E-02 0.591E-02 RMM: 7 -0.340481703760E+03 -0.68174E-04 -0.92465E-05 3692 0.258E-02 0.117E-01 RMM: 8 -0.340481616869E+03 0.86891E-04 -0.41925E-05 3162 0.204E-02 0.347E-02 RMM: 9 -0.340481610750E+03 0.61193E-05 -0.82528E-06 2475 0.825E-03 8718 T= 6294. E= 0.68129261E+03 F= 0.62922443E+03 E0= 0.65843279E+03 EK= 0.52068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339594014478E+03 0.88760E+00 -0.16591E-01 7716 0.230E+01 0.291E-01 RMM: 2 -0.339607505750E+03 -0.13491E-01 -0.79966E-02 5167 0.677E-01 0.110E+00 RMM: 3 -0.339599589695E+03 0.79161E-02 -0.86165E-03 5444 0.203E-01 0.225E-01 RMM: 4 -0.339599584862E+03 0.48332E-05 -0.11931E-03 4655 0.805E-02 0.252E-01 RMM: 5 -0.339599255882E+03 0.32898E-03 -0.54070E-04 4588 0.635E-02 0.157E-01 RMM: 6 -0.339599167366E+03 0.88516E-04 -0.23013E-04 3907 0.400E-02 0.109E-01 RMM: 7 -0.339599202434E+03 -0.35067E-04 -0.10858E-04 3833 0.307E-02 0.132E-01 RMM: 8 -0.339599092505E+03 0.10993E-03 -0.48534E-05 3261 0.208E-02 0.373E-02 RMM: 9 -0.339599092659E+03 -0.15386E-06 -0.15034E-05 2512 0.112E-02 8719 T= 6026. E= 0.68022610E+03 F= 0.63037197E+03 E0= 0.65956050E+03 EK= 0.49854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338737058248E+03 0.86203E+00 -0.15900E-01 7620 0.227E+01 0.298E-01 RMM: 2 -0.338754624692E+03 -0.17566E-01 -0.87354E-02 5088 0.716E-01 0.129E+00 RMM: 3 -0.338743256763E+03 0.11368E-01 -0.10124E-02 5404 0.223E-01 0.216E-01 RMM: 4 -0.338743225678E+03 0.31085E-04 -0.13057E-03 4700 0.824E-02 0.233E-01 RMM: 5 -0.338742972859E+03 0.25282E-03 -0.46097E-04 4542 0.581E-02 0.157E-01 RMM: 6 -0.338742857150E+03 0.11571E-03 -0.16492E-04 3882 0.336E-02 0.881E-02 RMM: 7 -0.338742900687E+03 -0.43536E-04 -0.99233E-05 3759 0.281E-02 0.119E-01 RMM: 8 -0.338742810769E+03 0.89917E-04 -0.48078E-05 3273 0.211E-02 0.277E-02 RMM: 9 -0.338742814205E+03 -0.34357E-05 -0.11341E-05 2483 0.969E-03 8720 T= 5886. E= 0.68018542E+03 F= 0.63149531E+03 E0= 0.66066722E+03 EK= 0.48690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338030412895E+03 0.71240E+00 -0.15633E-01 7644 0.227E+01 0.274E-01 RMM: 2 -0.338041815414E+03 -0.11403E-01 -0.85746E-02 5061 0.702E-01 0.884E-01 RMM: 3 -0.338036713425E+03 0.51020E-02 -0.92237E-03 5585 0.198E-01 0.207E-01 RMM: 4 -0.338036812746E+03 -0.99321E-04 -0.11034E-03 4685 0.792E-02 0.272E-01 RMM: 5 -0.338036385833E+03 0.42691E-03 -0.43871E-04 4463 0.561E-02 0.142E-01 RMM: 6 -0.338036301903E+03 0.83930E-04 -0.18268E-04 3900 0.355E-02 0.909E-02 RMM: 7 -0.338036315791E+03 -0.13888E-04 -0.74237E-05 3589 0.257E-02 8721 T= 5926. E= 0.68149314E+03 F= 0.63246776E+03 E0= 0.66162827E+03 EK= 0.49025E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337565589713E+03 0.47071E+00 -0.15642E-01 7680 0.230E+01 0.320E-01 RMM: 2 -0.337578571162E+03 -0.12981E-01 -0.89214E-02 5039 0.729E-01 0.101E+00 RMM: 3 -0.337571963920E+03 0.66072E-02 -0.10145E-02 5458 0.213E-01 0.253E-01 RMM: 4 -0.337572090847E+03 -0.12693E-03 -0.14992E-03 4782 0.922E-02 0.310E-01 RMM: 5 -0.337571508307E+03 0.58254E-03 -0.47500E-04 4409 0.557E-02 0.139E-01 RMM: 6 -0.337571439128E+03 0.69179E-04 -0.15919E-04 3884 0.334E-02 0.992E-02 RMM: 7 -0.337571470565E+03 -0.31437E-04 -0.10585E-04 3865 0.276E-02 0.119E-01 RMM: 8 -0.337571379374E+03 0.91192E-04 -0.58433E-05 3364 0.226E-02 0.321E-02 RMM: 9 -0.337571382043E+03 -0.26693E-05 -0.14129E-05 2508 0.109E-02 8722 T= 6153. E= 0.68409417E+03 F= 0.63319411E+03 E0= 0.66235002E+03 EK= 0.50900E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337393110413E+03 0.17827E+00 -0.16861E-01 7884 0.236E+01 0.280E-01 RMM: 2 -0.337406679358E+03 -0.13569E-01 -0.95491E-02 4989 0.751E-01 0.985E-01 RMM: 3 -0.337400212321E+03 0.64670E-02 -0.10427E-02 5501 0.211E-01 0.168E-01 RMM: 4 -0.337400604452E+03 -0.39213E-03 -0.12394E-03 4749 0.833E-02 0.317E-01 RMM: 5 -0.337399971164E+03 0.63329E-03 -0.36764E-04 4164 0.495E-02 0.106E-01 RMM: 6 -0.337399903949E+03 0.67214E-04 -0.91813E-05 3620 0.263E-02 0.467E-02 RMM: 7 -0.337399931690E+03 -0.27741E-04 -0.37153E-05 3002 0.174E-02 0.819E-02 RMM: 8 -0.337399890114E+03 0.41576E-04 -0.24330E-05 2603 0.163E-02 0.259E-02 RMM: 9 -0.337399887298E+03 0.28161E-05 -0.68548E-06 2451 0.753E-03 8723 T= 6513. E= 0.68750263E+03 F= 0.63362013E+03 E0= 0.66277999E+03 EK= 0.53882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337517529461E+03 -0.11764E+00 -0.17390E-01 8028 0.244E+01 0.302E-01 RMM: 2 -0.337526903455E+03 -0.93740E-02 -0.86920E-02 5153 0.723E-01 0.723E-01 RMM: 3 -0.337523804048E+03 0.30994E-02 -0.86250E-03 5556 0.190E-01 0.240E-01 RMM: 4 -0.337524238853E+03 -0.43481E-03 -0.13017E-03 4721 0.879E-02 0.372E-01 RMM: 5 -0.337523328190E+03 0.91066E-03 -0.49658E-04 4381 0.571E-02 0.108E-01 RMM: 6 -0.337523274717E+03 0.53473E-04 -0.10819E-04 3822 0.279E-02 0.708E-02 RMM: 7 -0.337523300345E+03 -0.25629E-04 -0.70325E-05 3546 0.224E-02 0.100E-01 RMM: 8 -0.337523238180E+03 0.62165E-04 -0.36030E-05 3015 0.186E-02 0.323E-02 RMM: 9 -0.337523235269E+03 0.29111E-05 -0.11741E-05 2474 0.962E-03 8724 T= 6892. E= 0.69075795E+03 F= 0.63374420E+03 E0= 0.66291646E+03 EK= 0.57014E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337886778420E+03 -0.36354E+00 -0.18787E-01 7752 0.250E+01 0.310E-01 RMM: 2 -0.337898407957E+03 -0.11630E-01 -0.96005E-02 5100 0.765E-01 0.872E-01 RMM: 3 -0.337893603734E+03 0.48042E-02 -0.99698E-03 5547 0.208E-01 0.202E-01 RMM: 4 -0.337894237951E+03 -0.63422E-03 -0.13546E-03 4779 0.888E-02 0.395E-01 RMM: 5 -0.337893227504E+03 0.10104E-02 -0.48912E-04 4445 0.570E-02 0.909E-02 RMM: 6 -0.337893194834E+03 0.32670E-04 -0.90132E-05 3619 0.250E-02 0.658E-02 RMM: 7 -0.337893216772E+03 -0.21938E-04 -0.49473E-05 3179 0.192E-02 0.917E-02 RMM: 8 -0.337893164743E+03 0.52029E-04 -0.29913E-05 2789 0.173E-02 0.240E-02 RMM: 9 -0.337893167960E+03 -0.32174E-05 -0.11172E-05 2467 0.924E-03 8725 T= 7133. E= 0.69262288E+03 F= 0.63361675E+03 E0= 0.66280854E+03 EK= 0.59006E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338421980422E+03 -0.52882E+00 -0.19541E-01 7848 0.252E+01 0.298E-01 RMM: 2 -0.338432877142E+03 -0.10897E-01 -0.97026E-02 5087 0.762E-01 0.767E-01 RMM: 3 -0.338429084529E+03 0.37926E-02 -0.99573E-03 5651 0.202E-01 0.217E-01 RMM: 4 -0.338429549792E+03 -0.46526E-03 -0.13218E-03 4850 0.898E-02 0.371E-01 RMM: 5 -0.338428667588E+03 0.88220E-03 -0.47879E-04 4419 0.567E-02 0.112E-01 RMM: 6 -0.338428603389E+03 0.64199E-04 -0.10707E-04 3756 0.277E-02 0.629E-02 RMM: 7 -0.338428636249E+03 -0.32860E-04 -0.57049E-05 3325 0.203E-02 0.988E-02 RMM: 8 -0.338428574925E+03 0.61324E-04 -0.31141E-05 2818 0.176E-02 0.279E-02 RMM: 9 -0.338428574714E+03 0.21138E-06 -0.11424E-05 2467 0.931E-03 8726 T= 7117. E= 0.69219707E+03 F= 0.63332294E+03 E0= 0.66253839E+03 EK= 0.58874E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339040404070E+03 -0.61183E+00 -0.19930E-01 7980 0.250E+01 0.297E-01 RMM: 2 -0.339053595874E+03 -0.13192E-01 -0.10740E-01 4819 0.801E-01 0.866E-01 RMM: 3 -0.339048519692E+03 0.50762E-02 -0.12361E-02 5556 0.234E-01 0.202E-01 RMM: 4 -0.339049006913E+03 -0.48722E-03 -0.13814E-03 4980 0.906E-02 0.363E-01 RMM: 5 -0.339048155843E+03 0.85107E-03 -0.46398E-04 4458 0.565E-02 0.109E-01 RMM: 6 -0.339048110575E+03 0.45267E-04 -0.12196E-04 3852 0.290E-02 0.795E-02 RMM: 7 -0.339048144177E+03 -0.33602E-04 -0.70782E-05 3528 0.228E-02 0.108E-01 RMM: 8 -0.339048071505E+03 0.72672E-04 -0.40326E-05 3109 0.196E-02 0.319E-02 RMM: 9 -0.339048069549E+03 0.19559E-05 -0.11711E-05 2472 0.973E-03 8727 T= 6843. E= 0.68955683E+03 F= 0.63294887E+03 E0= 0.66218830E+03 EK= 0.56608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339696189558E+03 -0.64812E+00 -0.19787E-01 7872 0.244E+01 0.286E-01 RMM: 2 -0.339710278342E+03 -0.14089E-01 -0.10194E-01 4891 0.765E-01 0.958E-01 RMM: 3 -0.339703786567E+03 0.64918E-02 -0.11225E-02 5491 0.225E-01 0.205E-01 RMM: 4 -0.339704155743E+03 -0.36918E-03 -0.13954E-03 4974 0.912E-02 0.332E-01 RMM: 5 -0.339703468504E+03 0.68724E-03 -0.46466E-04 4488 0.570E-02 0.126E-01 RMM: 6 -0.339703409430E+03 0.59074E-04 -0.14918E-04 3866 0.321E-02 0.876E-02 RMM: 7 -0.339703454387E+03 -0.44957E-04 -0.77719E-05 3594 0.244E-02 0.119E-01 RMM: 8 -0.339703362750E+03 0.91637E-04 -0.43341E-05 3177 0.203E-02 0.290E-02 RMM: 9 -0.339703364102E+03 -0.13523E-05 -0.11896E-05 2486 0.972E-03 8728 T= 6429. E= 0.68573517E+03 F= 0.63254669E+03 E0= 0.66180713E+03 EK= 0.53188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340377937456E+03 -0.67457E+00 -0.19254E-01 7944 0.236E+01 0.307E-01 RMM: 2 -0.340396124539E+03 -0.18187E-01 -0.10792E-01 4893 0.786E-01 0.120E+00 RMM: 3 -0.340385903928E+03 0.10221E-01 -0.12305E-02 5470 0.237E-01 0.207E-01 RMM: 4 -0.340386082837E+03 -0.17891E-03 -0.15451E-03 4950 0.942E-02 0.294E-01 RMM: 5 -0.340385612084E+03 0.47075E-03 -0.48108E-04 4511 0.581E-02 0.159E-01 RMM: 6 -0.340385490718E+03 0.12137E-03 -0.16934E-04 3875 0.343E-02 0.871E-02 RMM: 7 -0.340385542347E+03 -0.51629E-04 -0.97620E-05 3738 0.275E-02 0.123E-01 RMM: 8 -0.340385445235E+03 0.97112E-04 -0.49309E-05 3282 0.214E-02 0.282E-02 RMM: 9 -0.340385447932E+03 -0.26967E-05 -0.11903E-05 2488 0.977E-03 8729 T= 6035. E= 0.68205491E+03 F= 0.63212721E+03 E0= 0.66140356E+03 EK= 0.49928E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341100742464E+03 -0.71530E+00 -0.18223E-01 7860 0.231E+01 0.292E-01 RMM: 2 -0.341115928228E+03 -0.15186E-01 -0.10073E-01 4978 0.741E-01 0.105E+00 RMM: 3 -0.341108188085E+03 0.77401E-02 -0.10835E-02 5565 0.215E-01 0.214E-01 RMM: 4 -0.341108372229E+03 -0.18414E-03 -0.14080E-03 4832 0.912E-02 0.304E-01 RMM: 5 -0.341107823392E+03 0.54884E-03 -0.51974E-04 4555 0.609E-02 0.140E-01 RMM: 6 -0.341107752882E+03 0.70510E-04 -0.18261E-04 3882 0.355E-02 0.981E-02 RMM: 7 -0.341107795136E+03 -0.42254E-04 -0.90545E-05 3740 0.267E-02 0.125E-01 RMM: 8 -0.341107693628E+03 0.10151E-03 -0.47378E-05 3228 0.209E-02 0.302E-02 RMM: 9 -0.341107695465E+03 -0.18371E-05 -0.12409E-05 2492 0.997E-03 8730 T= 5783. E= 0.67951640E+03 F= 0.63167604E+03 E0= 0.66096278E+03 EK= 0.47840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341881713363E+03 -0.77402E+00 -0.17715E-01 7776 0.228E+01 0.297E-01 RMM: 2 -0.341895869480E+03 -0.14156E-01 -0.94927E-02 5040 0.712E-01 0.102E+00 RMM: 3 -0.341888431175E+03 0.74383E-02 -0.99583E-03 5603 0.203E-01 0.190E-01 RMM: 4 -0.341888778169E+03 -0.34699E-03 -0.14077E-03 4803 0.927E-02 0.328E-01 RMM: 5 -0.341888133839E+03 0.64433E-03 -0.47477E-04 4457 0.567E-02 0.142E-01 RMM: 6 -0.341888051022E+03 0.82816E-04 -0.16696E-04 3882 0.341E-02 0.920E-02 RMM: 7 -0.341888086952E+03 -0.35930E-04 -0.86463E-05 3679 0.260E-02 0.117E-01 RMM: 8 -0.341887998255E+03 0.88697E-04 -0.44822E-05 3208 0.205E-02 0.261E-02 RMM: 9 -0.341888001954E+03 -0.36984E-05 -0.11604E-05 2483 0.958E-03 8731 T= 5735. E= 0.67861869E+03 F= 0.63117177E+03 E0= 0.66046355E+03 EK= 0.47447E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342721489283E+03 -0.83349E+00 -0.17688E-01 7800 0.229E+01 0.296E-01 RMM: 2 -0.342733742270E+03 -0.12253E-01 -0.91424E-02 5114 0.688E-01 0.918E-01 RMM: 3 -0.342727931253E+03 0.58110E-02 -0.93705E-03 5718 0.191E-01 0.205E-01 RMM: 4 -0.342728307647E+03 -0.37639E-03 -0.13489E-03 4730 0.907E-02 0.345E-01 RMM: 5 -0.342727553892E+03 0.75375E-03 -0.49755E-04 4448 0.578E-02 0.129E-01 RMM: 6 -0.342727481083E+03 0.72809E-04 -0.16447E-04 3890 0.340E-02 0.806E-02 RMM: 7 -0.342727514871E+03 -0.33787E-04 -0.64639E-05 3483 0.225E-02 0.108E-01 RMM: 8 -0.342727439997E+03 0.74873E-04 -0.31731E-05 2928 0.178E-02 0.275E-02 RMM: 9 -0.342727441420E+03 -0.14222E-05 -0.11214E-05 2473 0.921E-03 8732 T= 5901. E= 0.67942923E+03 F= 0.63060855E+03 E0= 0.65990068E+03 EK= 0.48821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343594271628E+03 -0.86683E+00 -0.17827E-01 8040 0.233E+01 0.298E-01 RMM: 2 -0.343603959863E+03 -0.96882E-02 -0.83028E-02 5294 0.655E-01 0.769E-01 RMM: 3 -0.343599828976E+03 0.41309E-02 -0.78139E-03 5781 0.173E-01 0.198E-01 RMM: 4 -0.343600316534E+03 -0.48756E-03 -0.12140E-03 4659 0.864E-02 0.367E-01 RMM: 5 -0.343599442865E+03 0.87367E-03 -0.47551E-04 4236 0.556E-02 0.113E-01 RMM: 6 -0.343599398950E+03 0.43916E-04 -0.12697E-04 3878 0.299E-02 0.824E-02 RMM: 7 -0.343599426294E+03 -0.27344E-04 -0.64629E-05 3484 0.215E-02 0.107E-01 RMM: 8 -0.343599353421E+03 0.72872E-04 -0.39264E-05 3067 0.194E-02 0.249E-02 RMM: 9 -0.343599356336E+03 -0.29150E-05 -0.11800E-05 2476 0.965E-03 8733 T= 6238. E= 0.68161590E+03 F= 0.63000871E+03 E0= 0.65929715E+03 EK= 0.51607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344441284069E+03 -0.84193E+00 -0.18679E-01 8100 0.239E+01 0.314E-01 RMM: 2 -0.344452667707E+03 -0.11384E-01 -0.92806E-02 5270 0.705E-01 0.873E-01 RMM: 3 -0.344447675240E+03 0.49925E-02 -0.92012E-03 5772 0.188E-01 0.215E-01 RMM: 4 -0.344448155209E+03 -0.47997E-03 -0.13591E-03 4679 0.902E-02 0.378E-01 RMM: 5 -0.344447243440E+03 0.91177E-03 -0.50171E-04 4319 0.572E-02 0.128E-01 RMM: 6 -0.344447156300E+03 0.87140E-04 -0.13468E-04 3887 0.308E-02 0.678E-02 RMM: 7 -0.344447198785E+03 -0.42485E-04 -0.68479E-05 3526 0.220E-02 0.109E-01 RMM: 8 -0.344447124514E+03 0.74270E-04 -0.38834E-05 3054 0.193E-02 0.291E-02 RMM: 9 -0.344447125335E+03 -0.82099E-06 -0.12895E-05 2480 0.101E-02 8734 T= 6644. E= 0.68439443E+03 F= 0.62942656E+03 E0= 0.65870794E+03 EK= 0.54968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345188896541E+03 -0.74177E+00 -0.19815E-01 8028 0.245E+01 0.311E-01 RMM: 2 -0.345199575234E+03 -0.10679E-01 -0.94385E-02 5324 0.707E-01 0.785E-01 RMM: 3 -0.345195383045E+03 0.41922E-02 -0.86963E-03 5718 0.187E-01 0.222E-01 RMM: 4 -0.345195903805E+03 -0.52076E-03 -0.12858E-03 4660 0.871E-02 0.386E-01 RMM: 5 -0.345194944274E+03 0.95953E-03 -0.48177E-04 4294 0.553E-02 0.119E-01 RMM: 6 -0.345194873202E+03 0.71072E-04 -0.13402E-04 3885 0.306E-02 0.682E-02 RMM: 7 -0.345194899268E+03 -0.26066E-04 -0.62972E-05 3450 0.211E-02 0.975E-02 RMM: 8 -0.345194840665E+03 0.58603E-04 -0.31954E-05 2895 0.178E-02 0.296E-02 RMM: 9 -0.345194841717E+03 -0.10517E-05 -0.12232E-05 2477 0.974E-03 8735 T= 6969. E= 0.68659020E+03 F= 0.62893841E+03 E0= 0.65821091E+03 EK= 0.57652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345763109025E+03 -0.56827E+00 -0.20442E-01 8052 0.248E+01 0.313E-01 RMM: 2 -0.345775312223E+03 -0.12203E-01 -0.10388E-01 5272 0.748E-01 0.852E-01 RMM: 3 -0.345770536244E+03 0.47760E-02 -0.98806E-03 5781 0.195E-01 0.220E-01 RMM: 4 -0.345770942362E+03 -0.40612E-03 -0.13374E-03 4704 0.889E-02 0.370E-01 RMM: 5 -0.345770053806E+03 0.88856E-03 -0.49744E-04 4427 0.574E-02 0.119E-01 RMM: 6 -0.345769987564E+03 0.66242E-04 -0.12708E-04 3879 0.294E-02 0.744E-02 RMM: 7 -0.345770026992E+03 -0.39428E-04 -0.70376E-05 3547 0.222E-02 0.110E-01 RMM: 8 -0.345769949379E+03 0.77613E-04 -0.40888E-05 3097 0.197E-02 0.292E-02 RMM: 9 -0.345769950065E+03 -0.68550E-06 -0.12893E-05 2482 0.101E-02 8736 T= 7068. E= 0.68708705E+03 F= 0.62861976E+03 E0= 0.65788283E+03 EK= 0.58467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346127851537E+03 -0.35790E+00 -0.19871E-01 7860 0.246E+01 0.302E-01 RMM: 2 -0.346140615919E+03 -0.12764E-01 -0.10147E-01 5247 0.738E-01 0.889E-01 RMM: 3 -0.346135105560E+03 0.55104E-02 -0.93481E-03 5652 0.197E-01 0.221E-01 RMM: 4 -0.346135444495E+03 -0.33894E-03 -0.13898E-03 4724 0.910E-02 0.342E-01 RMM: 5 -0.346134695063E+03 0.74943E-03 -0.47714E-04 4322 0.555E-02 0.127E-01 RMM: 6 -0.346134623628E+03 0.71435E-04 -0.15075E-04 3888 0.325E-02 0.810E-02 RMM: 7 -0.346134666218E+03 -0.42590E-04 -0.75730E-05 3625 0.235E-02 0.115E-01 RMM: 8 -0.346134581035E+03 0.85183E-04 -0.37614E-05 3055 0.191E-02 0.296E-02 RMM: 9 -0.346134581343E+03 -0.30824E-06 -0.12204E-05 2485 0.975E-03 8737 T= 6891. E= 0.68552198E+03 F= 0.62851270E+03 E0= 0.65776773E+03 EK= 0.57009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346294378615E+03 -0.15980E+00 -0.18918E-01 7776 0.241E+01 0.294E-01 RMM: 2 -0.346308632302E+03 -0.14254E-01 -0.10909E-01 5101 0.772E-01 0.943E-01 RMM: 3 -0.346302512106E+03 0.61202E-02 -0.10780E-02 5668 0.209E-01 0.208E-01 RMM: 4 -0.346302733084E+03 -0.22098E-03 -0.13035E-03 4783 0.881E-02 0.315E-01 RMM: 5 -0.346302138478E+03 0.59461E-03 -0.47341E-04 4526 0.575E-02 0.142E-01 RMM: 6 -0.346302046525E+03 0.91954E-04 -0.15690E-04 3888 0.322E-02 0.888E-02 RMM: 7 -0.346302090573E+03 -0.44048E-04 -0.91798E-05 3774 0.261E-02 0.120E-01 RMM: 8 -0.346301996960E+03 0.93612E-04 -0.47112E-05 3236 0.208E-02 0.282E-02 RMM: 9 -0.346301998942E+03 -0.19817E-05 -0.11831E-05 2482 0.962E-03 8738 T= 6522. E= 0.68256142E+03 F= 0.62860797E+03 E0= 0.65785715E+03 EK= 0.53953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346322406653E+03 -0.20410E-01 -0.17435E-01 7740 0.234E+01 0.299E-01 RMM: 2 -0.346338555677E+03 -0.16149E-01 -0.98444E-02 5126 0.744E-01 0.113E+00 RMM: 3 -0.346329521112E+03 0.90346E-02 -0.10128E-02 5499 0.214E-01 0.212E-01 RMM: 4 -0.346329696781E+03 -0.17567E-03 -0.13989E-03 4780 0.908E-02 0.294E-01 RMM: 5 -0.346329206510E+03 0.49027E-03 -0.48416E-04 4548 0.579E-02 0.153E-01 RMM: 6 -0.346329105148E+03 0.10136E-03 -0.17930E-04 3888 0.346E-02 0.961E-02 RMM: 7 -0.346329148914E+03 -0.43765E-04 -0.10086E-04 3827 0.278E-02 0.125E-01 RMM: 8 -0.346329047770E+03 0.10114E-03 -0.47617E-05 3264 0.209E-02 0.290E-02 RMM: 9 -0.346329049779E+03 -0.20088E-05 -0.10980E-05 2487 0.920E-03 8739 T= 6114. E= 0.67943156E+03 F= 0.62885092E+03 E0= 0.65809748E+03 EK= 0.50581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346285500587E+03 0.43547E-01 -0.16052E-01 7800 0.227E+01 0.278E-01 RMM: 2 -0.346296469607E+03 -0.10969E-01 -0.86436E-02 5167 0.691E-01 0.833E-01 RMM: 3 -0.346291719641E+03 0.47500E-02 -0.81577E-03 5636 0.185E-01 0.198E-01 RMM: 4 -0.346291965470E+03 -0.24583E-03 -0.10855E-03 4667 0.821E-02 0.310E-01 RMM: 5 -0.346291390777E+03 0.57469E-03 -0.48768E-04 4544 0.597E-02 0.138E-01 RMM: 6 -0.346291332041E+03 0.58736E-04 -0.19261E-04 3891 0.358E-02 0.105E-01 RMM: 7 -0.346291344864E+03 -0.12823E-04 -0.82475E-05 3669 0.266E-02 8740 T= 5811. E= 0.67723483E+03 F= 0.62916542E+03 E0= 0.65841274E+03 EK= 0.48069E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346253843601E+03 0.37488E-01 -0.15250E-01 7584 0.223E+01 0.322E-01 RMM: 2 -0.346265117167E+03 -0.11274E-01 -0.78067E-02 5271 0.667E-01 0.962E-01 RMM: 3 -0.346258961708E+03 0.61555E-02 -0.78560E-03 5479 0.193E-01 0.246E-01 RMM: 4 -0.346259225827E+03 -0.26412E-03 -0.13383E-03 4670 0.886E-02 0.335E-01 RMM: 5 -0.346258505634E+03 0.72019E-03 -0.55515E-04 4595 0.623E-02 0.129E-01 RMM: 6 -0.346258505847E+03 -0.21317E-06 -0.18129E-04 3877 0.349E-02 8741 T= 5699. E= 0.67662517E+03 F= 0.62947860E+03 E0= 0.65872713E+03 EK= 0.47147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346278647926E+03 -0.20142E-01 -0.15129E-01 7692 0.223E+01 0.392E-01 RMM: 2 -0.346300906072E+03 -0.22258E-01 -0.81112E-02 5262 0.684E-01 0.162E+00 RMM: 3 -0.346283546944E+03 0.17359E-01 -0.13479E-02 5339 0.282E-01 0.301E-01 RMM: 4 -0.346283281315E+03 0.26563E-03 -0.16654E-03 4727 0.882E-02 0.249E-01 RMM: 5 -0.346283100192E+03 0.18112E-03 -0.50919E-04 4598 0.585E-02 0.214E-01 RMM: 6 -0.346282831150E+03 0.26904E-03 -0.26228E-04 3891 0.435E-02 0.782E-02 RMM: 7 -0.346282922190E+03 -0.91040E-04 -0.10843E-04 3781 0.285E-02 0.139E-01 RMM: 8 -0.346282806269E+03 0.11592E-03 -0.52336E-05 3314 0.220E-02 0.460E-02 RMM: 9 -0.346282798466E+03 0.78026E-05 -0.14561E-05 2512 0.110E-02 8742 T= 5812. E= 0.67781115E+03 F= 0.62973331E+03 E0= 0.65898512E+03 EK= 0.48078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346392203449E+03 -0.10940E+00 -0.15906E-01 7548 0.227E+01 0.439E-01 RMM: 2 -0.346423693879E+03 -0.31490E-01 -0.86053E-02 5330 0.727E-01 0.200E+00 RMM: 3 -0.346396976323E+03 0.26718E-01 -0.15524E-02 5344 0.311E-01 0.399E-01 RMM: 4 -0.346396186457E+03 0.78987E-03 -0.24199E-03 5029 0.110E-01 0.246E-01 RMM: 5 -0.346396094633E+03 0.91824E-04 -0.44955E-04 4428 0.546E-02 0.230E-01 RMM: 6 -0.346395737846E+03 0.35679E-03 -0.15310E-04 3875 0.334E-02 0.479E-02 RMM: 7 -0.346395754087E+03 -0.16240E-04 -0.54620E-05 3309 0.198E-02 8743 T= 6129. E= 0.68060064E+03 F= 0.62989332E+03 E0= 0.65914768E+03 EK= 0.50707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346604697077E+03 -0.20896E+00 -0.16989E-01 7632 0.233E+01 0.348E-01 RMM: 2 -0.346621097746E+03 -0.16401E-01 -0.85084E-02 5315 0.689E-01 0.127E+00 RMM: 3 -0.346610286559E+03 0.10811E-01 -0.90812E-03 5375 0.217E-01 0.262E-01 RMM: 4 -0.346610703950E+03 -0.41739E-03 -0.17649E-03 4725 0.984E-02 0.371E-01 RMM: 5 -0.346609891656E+03 0.81229E-03 -0.50871E-04 4487 0.570E-02 0.160E-01 RMM: 6 -0.346609742519E+03 0.14914E-03 -0.14472E-04 3873 0.312E-02 0.707E-02 RMM: 7 -0.346609809500E+03 -0.66981E-04 -0.91281E-05 3704 0.252E-02 0.126E-01 RMM: 8 -0.346609708727E+03 0.10077E-03 -0.51305E-05 3284 0.217E-02 0.339E-02 RMM: 9 -0.346609709840E+03 -0.11128E-05 -0.15281E-05 2508 0.111E-02 8744 T= 6574. E= 0.68432449E+03 F= 0.62994339E+03 E0= 0.65919799E+03 EK= 0.54381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346916310766E+03 -0.30660E+00 -0.18054E-01 7704 0.240E+01 0.338E-01 RMM: 2 -0.346932128546E+03 -0.15818E-01 -0.91531E-02 5320 0.741E-01 0.121E+00 RMM: 3 -0.346922245289E+03 0.98833E-02 -0.93419E-03 5451 0.214E-01 0.226E-01 RMM: 4 -0.346922749598E+03 -0.50431E-03 -0.16979E-03 4718 0.982E-02 0.366E-01 RMM: 5 -0.346921971437E+03 0.77816E-03 -0.46706E-04 4372 0.549E-02 0.162E-01 RMM: 6 -0.346921803977E+03 0.16746E-03 -0.12841E-04 3836 0.300E-02 0.509E-02 RMM: 7 -0.346921847003E+03 -0.43027E-04 -0.62955E-05 3433 0.217E-02 0.962E-02 RMM: 8 -0.346921788982E+03 0.58021E-04 -0.32434E-05 2924 0.179E-02 0.255E-02 RMM: 9 -0.346921792233E+03 -0.32514E-05 -0.12479E-05 2479 0.992E-03 8745 T= 6997. E= 0.68777232E+03 F= 0.62988639E+03 E0= 0.65913841E+03 EK= 0.57886E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347313335448E+03 -0.39155E+00 -0.19238E-01 7896 0.246E+01 0.312E-01 RMM: 2 -0.347326438439E+03 -0.13103E-01 -0.10301E-01 5195 0.771E-01 0.918E-01 RMM: 3 -0.347320752558E+03 0.56859E-02 -0.96203E-03 5468 0.209E-01 0.242E-01 RMM: 4 -0.347321192422E+03 -0.43986E-03 -0.15877E-03 4789 0.965E-02 0.364E-01 RMM: 5 -0.347320338263E+03 0.85416E-03 -0.49691E-04 4316 0.564E-02 0.124E-01 RMM: 6 -0.347320252608E+03 0.85655E-04 -0.10717E-04 3793 0.274E-02 0.623E-02 RMM: 7 -0.347320291579E+03 -0.38970E-04 -0.68141E-05 3500 0.222E-02 0.104E-01 RMM: 8 -0.347320223118E+03 0.68461E-04 -0.37759E-05 3038 0.191E-02 0.305E-02 RMM: 9 -0.347320224991E+03 -0.18735E-05 -0.14289E-05 2487 0.106E-02 8746 T= 7224. E= 0.68950208E+03 F= 0.62973702E+03 E0= 0.65898312E+03 EK= 0.59765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347789217590E+03 -0.46899E+00 -0.19836E-01 7800 0.247E+01 0.303E-01 RMM: 2 -0.347803367264E+03 -0.14150E-01 -0.10445E-01 5083 0.773E-01 0.958E-01 RMM: 3 -0.347796749159E+03 0.66181E-02 -0.10341E-02 5536 0.216E-01 0.214E-01 RMM: 4 -0.347797196746E+03 -0.44759E-03 -0.14669E-03 4910 0.932E-02 0.353E-01 RMM: 5 -0.347796434595E+03 0.76215E-03 -0.44954E-04 4368 0.550E-02 0.138E-01 RMM: 6 -0.347796325241E+03 0.10935E-03 -0.11722E-04 3835 0.286E-02 0.639E-02 RMM: 7 -0.347796377010E+03 -0.51769E-04 -0.78645E-05 3610 0.235E-02 0.111E-01 RMM: 8 -0.347796298008E+03 0.79002E-04 -0.42769E-05 3154 0.202E-02 0.270E-02 RMM: 9 -0.347796300534E+03 -0.25262E-05 -0.12170E-05 2484 0.982E-03 8747 T= 7146. E= 0.68862936E+03 F= 0.62950878E+03 E0= 0.65874717E+03 EK= 0.59121E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348342619125E+03 -0.54632E+00 -0.19490E-01 7944 0.244E+01 0.272E-01 RMM: 2 -0.348354752049E+03 -0.12133E-01 -0.10041E-01 5005 0.745E-01 0.799E-01 RMM: 3 -0.348349964101E+03 0.47879E-02 -0.97284E-03 5499 0.216E-01 0.207E-01 RMM: 4 -0.348350276173E+03 -0.31207E-03 -0.12765E-03 4954 0.875E-02 0.313E-01 RMM: 5 -0.348349678829E+03 0.59734E-03 -0.44115E-04 4433 0.556E-02 0.134E-01 RMM: 6 -0.348349591875E+03 0.86954E-04 -0.13749E-04 3881 0.309E-02 0.778E-02 RMM: 7 -0.348349638140E+03 -0.46266E-04 -0.74070E-05 3578 0.236E-02 0.115E-01 RMM: 8 -0.348349552875E+03 0.85265E-04 -0.41081E-05 3139 0.198E-02 0.263E-02 RMM: 9 -0.348349556341E+03 -0.34663E-05 -0.11168E-05 2478 0.923E-03 8748 T= 6802. E= 0.68547844E+03 F= 0.62920733E+03 E0= 0.65843698E+03 EK= 0.56271E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348978752202E+03 -0.62920E+00 -0.18722E-01 7848 0.238E+01 0.262E-01 RMM: 2 -0.348991643156E+03 -0.12891E-01 -0.10924E-01 4986 0.781E-01 0.775E-01 RMM: 3 -0.348987066158E+03 0.45770E-02 -0.10721E-02 5589 0.219E-01 0.208E-01 RMM: 4 -0.348987232202E+03 -0.16604E-03 -0.12016E-03 4973 0.861E-02 0.287E-01 RMM: 5 -0.348986713138E+03 0.51906E-03 -0.45090E-04 4491 0.570E-02 0.121E-01 RMM: 6 -0.348986684291E+03 0.28847E-04 -0.14500E-04 3876 0.314E-02 0.105E-01 RMM: 7 -0.348986685080E+03 -0.78967E-06 -0.80174E-05 3631 0.253E-02 8749 T= 6347. E= 0.68133470E+03 F= 0.62882987E+03 E0= 0.65805170E+03 EK= 0.52505E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349706848754E+03 -0.72016E+00 -0.17069E-01 8004 0.231E+01 0.311E-01 RMM: 2 -0.349719323884E+03 -0.12475E-01 -0.93343E-02 5181 0.732E-01 0.923E-01 RMM: 3 -0.349713418902E+03 0.59050E-02 -0.90405E-03 5549 0.204E-01 0.238E-01 RMM: 4 -0.349713557485E+03 -0.13858E-03 -0.12636E-03 4802 0.872E-02 0.311E-01 RMM: 5 -0.349712971587E+03 0.58590E-03 -0.58384E-04 4595 0.661E-02 0.144E-01 RMM: 6 -0.349712947435E+03 0.24152E-04 -0.21067E-04 3892 0.372E-02 0.133E-01 RMM: 7 -0.349712937052E+03 0.10383E-04 -0.11686E-04 3873 0.313E-02 8750 T= 5951. E= 0.67760191E+03 F= 0.62837243E+03 E0= 0.65758785E+03 EK= 0.49229E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350516368034E+03 -0.80342E+00 -0.16514E-01 7836 0.226E+01 0.290E-01 RMM: 2 -0.350527739740E+03 -0.11372E-01 -0.90264E-02 5137 0.713E-01 0.846E-01 RMM: 3 -0.350522903460E+03 0.48363E-02 -0.89561E-03 5479 0.202E-01 0.223E-01 RMM: 4 -0.350523178408E+03 -0.27495E-03 -0.11826E-03 4731 0.838E-02 0.321E-01 RMM: 5 -0.350522584783E+03 0.59362E-03 -0.50000E-04 4574 0.601E-02 0.154E-01 RMM: 6 -0.350522488413E+03 0.96370E-04 -0.22341E-04 3885 0.384E-02 0.999E-02 RMM: 7 -0.350522491570E+03 -0.31566E-05 -0.92275E-05 3761 0.284E-02 8751 T= 5728. E= 0.67522278E+03 F= 0.62783904E+03 E0= 0.65704917E+03 EK= 0.47384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351385732261E+03 -0.86324E+00 -0.15728E-01 7704 0.225E+01 0.312E-01 RMM: 2 -0.351397295874E+03 -0.11564E-01 -0.77461E-02 5303 0.661E-01 0.986E-01 RMM: 3 -0.351390749837E+03 0.65460E-02 -0.73998E-03 5425 0.188E-01 0.234E-01 RMM: 4 -0.351391014796E+03 -0.26496E-03 -0.13160E-03 4650 0.878E-02 0.326E-01 RMM: 5 -0.351390384553E+03 0.63024E-03 -0.47568E-04 4541 0.579E-02 0.151E-01 RMM: 6 -0.351390271165E+03 0.11339E-03 -0.18076E-04 3882 0.348E-02 0.825E-02 RMM: 7 -0.351390325626E+03 -0.54460E-04 -0.80596E-05 3641 0.250E-02 0.121E-01 RMM: 8 -0.351390230984E+03 0.94642E-04 -0.38959E-05 3104 0.194E-02 0.303E-02 RMM: 9 -0.351390230929E+03 0.55381E-07 -0.11427E-05 2481 0.930E-03 8752 T= 5724. E= 0.67460636E+03 F= 0.62725063E+03 E0= 0.65645681E+03 EK= 0.47356E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352265051351E+03 -0.87482E+00 -0.15836E-01 7800 0.228E+01 0.289E-01 RMM: 2 -0.352275484495E+03 -0.10433E-01 -0.76275E-02 5266 0.645E-01 0.894E-01 RMM: 3 -0.352270044522E+03 0.54400E-02 -0.69078E-03 5429 0.177E-01 0.214E-01 RMM: 4 -0.352270467624E+03 -0.42310E-03 -0.13046E-03 4660 0.886E-02 0.339E-01 RMM: 5 -0.352269758110E+03 0.70951E-03 -0.42881E-04 4140 0.532E-02 0.137E-01 RMM: 6 -0.352269646783E+03 0.11133E-03 -0.12733E-04 3861 0.309E-02 0.552E-02 RMM: 7 -0.352269693737E+03 -0.46954E-04 -0.55111E-05 3324 0.206E-02 0.102E-01 RMM: 8 -0.352269624295E+03 0.69441E-04 -0.29231E-05 2866 0.177E-02 0.219E-02 RMM: 9 -0.352269624175E+03 0.12022E-06 -0.81863E-06 2457 0.779E-03 8753 T= 5934. E= 0.67573646E+03 F= 0.62664857E+03 E0= 0.65585080E+03 EK= 0.49088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353089126422E+03 -0.81950E+00 -0.16598E-01 7716 0.234E+01 0.336E-01 RMM: 2 -0.353099671199E+03 -0.10545E-01 -0.75804E-02 5324 0.652E-01 0.955E-01 RMM: 3 -0.353093660861E+03 0.60103E-02 -0.72331E-03 5439 0.184E-01 0.228E-01 RMM: 4 -0.353094368483E+03 -0.70762E-03 -0.15896E-03 4674 0.977E-02 0.412E-01 RMM: 5 -0.353093282578E+03 0.10859E-02 -0.55041E-04 4466 0.600E-02 0.129E-01 RMM: 6 -0.353093195605E+03 0.86973E-04 -0.11640E-04 3835 0.274E-02 0.712E-02 RMM: 7 -0.353093232255E+03 -0.36651E-04 -0.79274E-05 3718 0.238E-02 0.106E-01 RMM: 8 -0.353093161155E+03 0.71100E-04 -0.40662E-05 3121 0.193E-02 0.274E-02 RMM: 9 -0.353093166314E+03 -0.51586E-05 -0.14527E-05 2500 0.108E-02 8754 T= 6298. E= 0.67819587E+03 F= 0.62609616E+03 E0= 0.65529298E+03 EK= 0.52100E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353784771375E+03 -0.69161E+00 -0.17976E-01 7752 0.241E+01 0.337E-01 RMM: 2 -0.353796190080E+03 -0.11419E-01 -0.90339E-02 5250 0.720E-01 0.933E-01 RMM: 3 -0.353790627966E+03 0.55621E-02 -0.91180E-03 5513 0.202E-01 0.253E-01 RMM: 4 -0.353791230399E+03 -0.60243E-03 -0.15719E-03 4735 0.964E-02 0.408E-01 RMM: 5 -0.353790158290E+03 0.10721E-02 -0.53188E-04 4421 0.584E-02 0.128E-01 RMM: 6 -0.353790063846E+03 0.94443E-04 -0.11936E-04 3842 0.286E-02 0.575E-02 RMM: 7 -0.353790096623E+03 -0.32777E-04 -0.59277E-05 3397 0.208E-02 0.949E-02 RMM: 8 -0.353790041833E+03 0.54790E-04 -0.33254E-05 2910 0.179E-02 0.299E-02 RMM: 9 -0.353790045783E+03 -0.39497E-05 -0.14638E-05 2495 0.107E-02 8755 T= 6703. E= 0.68111070E+03 F= 0.62566232E+03 E0= 0.65485173E+03 EK= 0.55448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354300346111E+03 -0.51030E+00 -0.19077E-01 7872 0.247E+01 0.329E-01 RMM: 2 -0.354311533072E+03 -0.11187E-01 -0.91518E-02 5293 0.721E-01 0.886E-01 RMM: 3 -0.354306437040E+03 0.50960E-02 -0.90384E-03 5594 0.195E-01 0.234E-01 RMM: 4 -0.354307036663E+03 -0.59962E-03 -0.15197E-03 4697 0.957E-02 0.403E-01 RMM: 5 -0.354305976774E+03 0.10599E-02 -0.53712E-04 4397 0.591E-02 0.115E-01 RMM: 6 -0.354305905211E+03 0.71563E-04 -0.98142E-05 3727 0.256E-02 0.622E-02 RMM: 7 -0.354305931858E+03 -0.26647E-04 -0.60119E-05 3406 0.211E-02 0.944E-02 RMM: 8 -0.354305875458E+03 0.56401E-04 -0.36820E-05 3012 0.185E-02 0.273E-02 RMM: 9 -0.354305882202E+03 -0.67447E-05 -0.16454E-05 2510 0.114E-02 8756 T= 6995. E= 0.68327129E+03 F= 0.62540237E+03 E0= 0.65458156E+03 EK= 0.57869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354622558621E+03 -0.31668E+00 -0.19107E-01 8028 0.250E+01 0.314E-01 RMM: 2 -0.354632583169E+03 -0.10025E-01 -0.82464E-02 5331 0.685E-01 0.843E-01 RMM: 3 -0.354627973022E+03 0.46101E-02 -0.79608E-03 5610 0.184E-01 0.226E-01 RMM: 4 -0.354628536925E+03 -0.56390E-03 -0.13864E-03 4666 0.918E-02 0.389E-01 RMM: 5 -0.354627556834E+03 0.98009E-03 -0.50363E-04 4320 0.572E-02 0.116E-01 RMM: 6 -0.354627486669E+03 0.70165E-04 -0.10001E-04 3727 0.265E-02 0.629E-02 RMM: 7 -0.354627521219E+03 -0.34550E-04 -0.59996E-05 3388 0.208E-02 0.998E-02 RMM: 8 -0.354627458619E+03 0.62600E-04 -0.36996E-05 3003 0.188E-02 0.281E-02 RMM: 9 -0.354627462864E+03 -0.42455E-05 -0.15030E-05 2497 0.109E-02 8757 T= 7049. E= 0.68364710E+03 F= 0.62533274E+03 E0= 0.65449989E+03 EK= 0.58314E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354788380038E+03 -0.16092E+00 -0.18934E-01 8076 0.248E+01 0.278E-01 RMM: 2 -0.354796467208E+03 -0.80872E-02 -0.75584E-02 5321 0.634E-01 0.664E-01 RMM: 3 -0.354793476881E+03 0.29903E-02 -0.64329E-03 5684 0.162E-01 0.203E-01 RMM: 4 -0.354793945020E+03 -0.46814E-03 -0.10395E-03 4626 0.797E-02 0.356E-01 RMM: 5 -0.354793126170E+03 0.81885E-03 -0.43343E-04 4208 0.541E-02 0.105E-01 RMM: 6 -0.354793084509E+03 0.41661E-04 -0.10500E-04 3798 0.272E-02 0.764E-02 RMM: 7 -0.354793111516E+03 -0.27007E-04 -0.59015E-05 3395 0.211E-02 0.101E-01 RMM: 8 -0.354793046760E+03 0.64756E-04 -0.35510E-05 3030 0.187E-02 0.236E-02 RMM: 9 -0.354793051551E+03 -0.47914E-05 -0.11786E-05 2475 0.952E-03 8758 T= 6844. E= 0.68203491E+03 F= 0.62541935E+03 E0= 0.65457419E+03 EK= 0.56616E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354871534792E+03 -0.78488E-01 -0.18153E-01 7920 0.243E+01 0.260E-01 RMM: 2 -0.354880455542E+03 -0.89208E-02 -0.72488E-02 5304 0.610E-01 0.732E-01 RMM: 3 -0.354876342333E+03 0.41132E-02 -0.57515E-03 5576 0.160E-01 0.182E-01 RMM: 4 -0.354876742788E+03 -0.40046E-03 -0.10669E-03 4653 0.820E-02 0.322E-01 RMM: 5 -0.354876084366E+03 0.65842E-03 -0.43653E-04 4283 0.554E-02 0.102E-01 RMM: 6 -0.354876065030E+03 0.19335E-04 -0.11436E-04 3854 0.285E-02 8759 T= 6479. E= 0.67919004E+03 F= 0.62559240E+03 E0= 0.65473704E+03 EK= 0.53598E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354955177826E+03 -0.79093E-01 -0.17387E-01 7692 0.237E+01 0.392E-01 RMM: 2 -0.354983484168E+03 -0.28306E-01 -0.78379E-02 5289 0.666E-01 0.187E+00 RMM: 3 -0.354959915292E+03 0.23569E-01 -0.12628E-02 5343 0.274E-01 0.333E-01 RMM: 4 -0.354959446676E+03 0.46862E-03 -0.17608E-03 4747 0.909E-02 0.233E-01 RMM: 5 -0.354959374285E+03 0.72390E-04 -0.66617E-04 4606 0.697E-02 0.230E-01 RMM: 6 -0.354959077025E+03 0.29726E-03 -0.32200E-04 3920 0.475E-02 0.974E-02 RMM: 7 -0.354959154424E+03 -0.77399E-04 -0.13841E-04 3873 0.330E-02 0.144E-01 RMM: 8 -0.354959029050E+03 0.12537E-03 -0.78590E-05 3606 0.263E-02 0.480E-02 RMM: 9 -0.354959024119E+03 0.49310E-05 -0.17900E-05 2558 0.126E-02 8760 T= 6107. E= 0.67629065E+03 F= 0.62577105E+03 E0= 0.65491168E+03 EK= 0.50520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355107231647E+03 -0.14820E+00 -0.16431E-01 7584 0.232E+01 0.371E-01 RMM: 2 -0.355137133922E+03 -0.29902E-01 -0.78044E-02 5230 0.668E-01 0.192E+00 RMM: 3 -0.355112073870E+03 0.25060E-01 -0.12694E-02 5338 0.274E-01 0.330E-01 RMM: 4 -0.355111535010E+03 0.53886E-03 -0.18846E-03 4816 0.964E-02 0.212E-01 RMM: 5 -0.355111626846E+03 -0.91836E-04 -0.51710E-04 4587 0.609E-02 0.253E-01 RMM: 6 -0.355111216363E+03 0.41048E-03 -0.21399E-04 3892 0.392E-02 0.551E-02 RMM: 7 -0.355111268557E+03 -0.52195E-04 -0.85093E-05 3633 0.250E-02 0.105E-01 RMM: 8 -0.355111200864E+03 0.67694E-04 -0.34931E-05 3039 0.191E-02 0.301E-02 RMM: 9 -0.355111197037E+03 0.38265E-05 -0.73785E-06 2463 0.784E-03 8761 T= 5855. E= 0.67432154E+03 F= 0.62588525E+03 E0= 0.65502800E+03 EK= 0.48436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355373063617E+03 -0.26186E+00 -0.16031E-01 7656 0.230E+01 0.315E-01 RMM: 2 -0.355388103954E+03 -0.15040E-01 -0.74226E-02 5228 0.646E-01 0.123E+00 RMM: 3 -0.355378010117E+03 0.10094E-01 -0.85010E-03 5410 0.210E-01 0.277E-01 RMM: 4 -0.355377912146E+03 0.97970E-04 -0.13867E-03 4669 0.862E-02 0.260E-01 RMM: 5 -0.355377554537E+03 0.35761E-03 -0.48654E-04 4549 0.597E-02 0.159E-01 RMM: 6 -0.355377436121E+03 0.11842E-03 -0.17556E-04 3876 0.347E-02 0.895E-02 RMM: 7 -0.355377478516E+03 -0.42395E-04 -0.90152E-05 3717 0.271E-02 0.120E-01 RMM: 8 -0.355377385770E+03 0.92745E-04 -0.46013E-05 3254 0.205E-02 0.293E-02 RMM: 9 -0.355377389127E+03 -0.33562E-05 -0.12514E-05 2485 0.101E-02 8762 T= 5795. E= 0.67382344E+03 F= 0.62588707E+03 E0= 0.65504002E+03 EK= 0.47936E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355768966944E+03 -0.39158E+00 -0.15801E-01 7764 0.232E+01 0.318E-01 RMM: 2 -0.355785970962E+03 -0.17004E-01 -0.79408E-02 5111 0.672E-01 0.131E+00 RMM: 3 -0.355774267087E+03 0.11704E-01 -0.93889E-03 5415 0.216E-01 0.226E-01 RMM: 4 -0.355774498101E+03 -0.23101E-03 -0.14946E-03 4730 0.898E-02 0.307E-01 RMM: 5 -0.355774001377E+03 0.49672E-03 -0.42239E-04 4330 0.534E-02 0.158E-01 RMM: 6 -0.355773853932E+03 0.14744E-03 -0.13313E-04 3842 0.310E-02 0.601E-02 RMM: 7 -0.355773907924E+03 -0.53992E-04 -0.72140E-05 3517 0.231E-02 0.108E-01 RMM: 8 -0.355773835737E+03 0.72188E-04 -0.38049E-05 3064 0.199E-02 0.267E-02 RMM: 9 -0.355773835475E+03 0.26179E-06 -0.81306E-06 2466 0.795E-03 8763 T= 5942. E= 0.67491028E+03 F= 0.62575605E+03 E0= 0.65492808E+03 EK= 0.49154E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356284760385E+03 -0.51092E+00 -0.17326E-01 7788 0.236E+01 0.294E-01 RMM: 2 -0.356296039483E+03 -0.11279E-01 -0.91572E-02 5049 0.713E-01 0.833E-01 RMM: 3 -0.356291388868E+03 0.46506E-02 -0.92828E-03 5544 0.197E-01 0.215E-01 RMM: 4 -0.356291904131E+03 -0.51526E-03 -0.13346E-03 4767 0.889E-02 0.371E-01 RMM: 5 -0.356291036487E+03 0.86764E-03 -0.45945E-04 4367 0.551E-02 0.122E-01 RMM: 6 -0.356290956396E+03 0.80091E-04 -0.11833E-04 3831 0.290E-02 0.617E-02 RMM: 7 -0.356290995308E+03 -0.38912E-04 -0.55226E-05 3347 0.209E-02 0.100E-01 RMM: 8 -0.356290930254E+03 0.65054E-04 -0.29345E-05 2854 0.173E-02 0.239E-02 RMM: 9 -0.356290932911E+03 -0.26575E-05 -0.10777E-05 2461 0.905E-03 8764 T= 6261. E= 0.67729033E+03 F= 0.62549803E+03 E0= 0.65469824E+03 EK= 0.51792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356890809236E+03 -0.59988E+00 -0.18223E-01 7728 0.243E+01 0.322E-01 RMM: 2 -0.356905072403E+03 -0.14263E-01 -0.91326E-02 5172 0.719E-01 0.109E+00 RMM: 3 -0.356897054902E+03 0.80175E-02 -0.95357E-03 5454 0.209E-01 0.213E-01 RMM: 4 -0.356897666937E+03 -0.61204E-03 -0.15518E-03 4771 0.939E-02 0.385E-01 RMM: 5 -0.356896743391E+03 0.92355E-03 -0.46366E-04 4385 0.547E-02 0.125E-01 RMM: 6 -0.356896651338E+03 0.92053E-04 -0.89795E-05 3624 0.249E-02 0.535E-02 RMM: 7 -0.356896688614E+03 -0.37276E-04 -0.62692E-05 3436 0.214E-02 0.949E-02 RMM: 8 -0.356896629814E+03 0.58800E-04 -0.35450E-05 2994 0.186E-02 0.202E-02 RMM: 9 -0.356896633905E+03 -0.40912E-05 -0.10430E-05 2467 0.893E-03 8765 T= 6657. E= 0.68021716E+03 F= 0.62514319E+03 E0= 0.65438041E+03 EK= 0.55074E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357539453279E+03 -0.64282E+00 -0.19028E-01 7716 0.248E+01 0.311E-01 RMM: 2 -0.357551252928E+03 -0.11800E-01 -0.95097E-02 5170 0.739E-01 0.893E-01 RMM: 3 -0.357546159636E+03 0.50933E-02 -0.92914E-03 5480 0.203E-01 0.215E-01 RMM: 4 -0.357546806003E+03 -0.64637E-03 -0.13974E-03 4730 0.908E-02 0.390E-01 RMM: 5 -0.357545816953E+03 0.98905E-03 -0.45658E-04 4309 0.539E-02 0.117E-01 RMM: 6 -0.357545737894E+03 0.79059E-04 -0.98172E-05 3710 0.265E-02 0.534E-02 RMM: 7 -0.357545778368E+03 -0.40475E-04 -0.55173E-05 3328 0.203E-02 0.995E-02 RMM: 8 -0.357545714065E+03 0.64303E-04 -0.33298E-05 2872 0.179E-02 0.237E-02 RMM: 9 -0.357545717730E+03 -0.36647E-05 -0.12615E-05 2473 0.996E-03 8766 T= 6987. E= 0.68254079E+03 F= 0.62473738E+03 E0= 0.65401971E+03 EK= 0.57803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358183911521E+03 -0.63820E+00 -0.19886E-01 7812 0.251E+01 0.300E-01 RMM: 2 -0.358195729235E+03 -0.11818E-01 -0.10295E-01 5117 0.767E-01 0.806E-01 RMM: 3 -0.358191508199E+03 0.42210E-02 -0.10383E-02 5602 0.204E-01 0.202E-01 RMM: 4 -0.358192092792E+03 -0.58459E-03 -0.12687E-03 4775 0.866E-02 0.388E-01 RMM: 5 -0.358191123626E+03 0.96917E-03 -0.45564E-04 4390 0.548E-02 0.102E-01 RMM: 6 -0.358191071700E+03 0.51926E-04 -0.87493E-05 3610 0.248E-02 0.611E-02 RMM: 7 -0.358191105348E+03 -0.33649E-04 -0.60067E-05 3414 0.211E-02 0.984E-02 RMM: 8 -0.358191044959E+03 0.60389E-04 -0.33778E-05 2951 0.180E-02 0.246E-02 RMM: 9 -0.358191048179E+03 -0.32200E-05 -0.12185E-05 2471 0.971E-03 8767 T= 7107. E= 0.68312511E+03 F= 0.62433061E+03 E0= 0.65366452E+03 EK= 0.58794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358797463022E+03 -0.60642E+00 -0.19866E-01 7848 0.248E+01 0.285E-01 RMM: 2 -0.358808822908E+03 -0.11360E-01 -0.94571E-02 5091 0.735E-01 0.821E-01 RMM: 3 -0.358804286282E+03 0.45366E-02 -0.91196E-03 5586 0.197E-01 0.175E-01 RMM: 4 -0.358804851104E+03 -0.56482E-03 -0.11764E-03 4736 0.846E-02 0.361E-01 RMM: 5 -0.358804005930E+03 0.84517E-03 -0.41199E-04 4266 0.521E-02 0.103E-01 RMM: 6 -0.358803964002E+03 0.41929E-04 -0.10334E-04 3740 0.272E-02 0.712E-02 RMM: 7 -0.358803998191E+03 -0.34189E-04 -0.58777E-05 3397 0.213E-02 0.103E-01 RMM: 8 -0.358803930278E+03 0.67913E-04 -0.33451E-05 2957 0.183E-02 0.239E-02 RMM: 9 -0.358803932916E+03 -0.26383E-05 -0.10913E-05 2461 0.919E-03 8768 T= 6959. E= 0.68152714E+03 F= 0.62395566E+03 E0= 0.65334487E+03 EK= 0.57571E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359374117812E+03 -0.57019E+00 -0.19459E-01 7920 0.242E+01 0.257E-01 RMM: 2 -0.359383517629E+03 -0.93998E-02 -0.85410E-02 5115 0.684E-01 0.671E-01 RMM: 3 -0.359380354359E+03 0.31633E-02 -0.80810E-03 5699 0.182E-01 0.175E-01 RMM: 4 -0.359380753635E+03 -0.39928E-03 -0.97849E-04 4702 0.779E-02 0.329E-01 RMM: 5 -0.359380075600E+03 0.67803E-03 -0.38420E-04 4240 0.516E-02 0.104E-01 RMM: 6 -0.359380045398E+03 0.30203E-04 -0.12068E-04 3843 0.295E-02 0.836E-02 RMM: 7 -0.359380060290E+03 -0.14892E-04 -0.52888E-05 3313 0.212E-02 8769 T= 6613. E= 0.67832448E+03 F= 0.62362073E+03 E0= 0.65306565E+03 EK= 0.54704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359924650651E+03 -0.54461E+00 -0.18403E-01 7908 0.234E+01 0.263E-01 RMM: 2 -0.359933925471E+03 -0.92748E-02 -0.81524E-02 5062 0.667E-01 0.684E-01 RMM: 3 -0.359930551292E+03 0.33742E-02 -0.76033E-03 5625 0.182E-01 0.198E-01 RMM: 4 -0.359930870053E+03 -0.31876E-03 -0.10663E-03 4696 0.815E-02 0.321E-01 RMM: 5 -0.359930230275E+03 0.63978E-03 -0.47395E-04 4471 0.578E-02 0.113E-01 RMM: 6 -0.359930245849E+03 -0.15574E-04 -0.15610E-04 3879 0.331E-02 8770 T= 6213. E= 0.67471140E+03 F= 0.62331729E+03 E0= 0.65281568E+03 EK= 0.51394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360459252962E+03 -0.52902E+00 -0.16824E-01 8148 0.226E+01 0.371E-01 RMM: 2 -0.360482395760E+03 -0.23143E-01 -0.79987E-02 5063 0.691E-01 0.166E+00 RMM: 3 -0.360464134593E+03 0.18261E-01 -0.13311E-02 5331 0.283E-01 0.292E-01 RMM: 4 -0.360463738034E+03 0.39656E-03 -0.15102E-03 4729 0.845E-02 0.196E-01 RMM: 5 -0.360463786629E+03 -0.48595E-04 -0.56244E-04 4570 0.639E-02 0.238E-01 RMM: 6 -0.360463458695E+03 0.32793E-03 -0.32080E-04 3989 0.486E-02 0.838E-02 RMM: 7 -0.360463552269E+03 -0.93574E-04 -0.12018E-04 3835 0.306E-02 0.144E-01 RMM: 8 -0.360463429256E+03 0.12301E-03 -0.61574E-05 3490 0.242E-02 0.470E-02 RMM: 9 -0.360463421691E+03 0.75650E-05 -0.14416E-05 2516 0.114E-02 8771 T= 5897. E= 0.67182047E+03 F= 0.62303623E+03 E0= 0.65258770E+03 EK= 0.48784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360969030892E+03 -0.50560E+00 -0.15622E-01 8400 0.222E+01 0.342E-01 RMM: 2 -0.360990877174E+03 -0.21846E-01 -0.68283E-02 5121 0.607E-01 0.162E+00 RMM: 3 -0.360973277089E+03 0.17600E-01 -0.11189E-02 5337 0.257E-01 0.302E-01 RMM: 4 -0.360972859757E+03 0.41733E-03 -0.15980E-03 4765 0.888E-02 0.212E-01 RMM: 5 -0.360972788625E+03 0.71132E-04 -0.40009E-04 4414 0.537E-02 0.196E-01 RMM: 6 -0.360972545710E+03 0.24291E-03 -0.14165E-04 3871 0.327E-02 0.529E-02 RMM: 7 -0.360972569897E+03 -0.24187E-04 -0.51496E-05 3264 0.199E-02 0.823E-02 RMM: 8 -0.360972531985E+03 0.37912E-04 -0.26072E-05 2713 0.171E-02 0.340E-02 RMM: 9 -0.360972525458E+03 0.65269E-05 -0.69984E-06 2452 0.812E-03 8772 T= 5751. E= 0.67035912E+03 F= 0.62278209E+03 E0= 0.65238023E+03 EK= 0.47577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361419264465E+03 -0.44673E+00 -0.15569E-01 8292 0.220E+01 0.277E-01 RMM: 2 -0.361429326233E+03 -0.10062E-01 -0.69980E-02 5085 0.601E-01 0.877E-01 RMM: 3 -0.361423969588E+03 0.53566E-02 -0.72326E-03 5437 0.187E-01 0.216E-01 RMM: 4 -0.361424283238E+03 -0.31365E-03 -0.11600E-03 4646 0.811E-02 0.322E-01 RMM: 5 -0.361423684063E+03 0.59917E-03 -0.46977E-04 4503 0.575E-02 0.139E-01 RMM: 6 -0.361423598218E+03 0.85845E-04 -0.14641E-04 3872 0.318E-02 0.812E-02 RMM: 7 -0.361423616876E+03 -0.18658E-04 -0.60595E-05 3433 0.231E-02 8773 T= 5804. E= 0.67059635E+03 F= 0.62258461E+03 E0= 0.65222429E+03 EK= 0.48012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361750113286E+03 -0.32652E+00 -0.15673E-01 8556 0.223E+01 0.283E-01 RMM: 2 -0.361757926470E+03 -0.78132E-02 -0.64311E-02 5243 0.579E-01 0.739E-01 RMM: 3 -0.361754182407E+03 0.37441E-02 -0.63334E-03 5567 0.171E-01 0.200E-01 RMM: 4 -0.361754732218E+03 -0.54981E-03 -0.10422E-03 4631 0.775E-02 0.361E-01 RMM: 5 -0.361753911604E+03 0.82061E-03 -0.41667E-04 4167 0.531E-02 0.119E-01 RMM: 6 -0.361753852348E+03 0.59257E-04 -0.12423E-04 3859 0.298E-02 0.767E-02 RMM: 7 -0.361753884129E+03 -0.31781E-04 -0.53803E-05 3316 0.206E-02 0.102E-01 RMM: 8 -0.361753821903E+03 0.62225E-04 -0.30053E-05 2918 0.175E-02 0.253E-02 RMM: 9 -0.361753829907E+03 -0.80030E-05 -0.12012E-05 2473 0.960E-03 8774 T= 6035. E= 0.67242907E+03 F= 0.62250236E+03 E0= 0.65217935E+03 EK= 0.49927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361873036827E+03 -0.11921E+00 -0.16504E-01 8244 0.228E+01 0.240E-01 RMM: 2 -0.361881309145E+03 -0.82723E-02 -0.79535E-02 5135 0.627E-01 0.576E-01 RMM: 3 -0.361878799223E+03 0.25099E-02 -0.74192E-03 5622 0.174E-01 0.185E-01 RMM: 4 -0.361879190239E+03 -0.39102E-03 -0.83714E-04 4640 0.686E-02 0.322E-01 RMM: 5 -0.361878521855E+03 0.66838E-03 -0.30665E-04 3959 0.452E-02 0.901E-02 RMM: 6 -0.361878476556E+03 0.45298E-04 -0.70540E-05 3463 0.235E-02 0.423E-02 RMM: 7 -0.361878486388E+03 -0.98316E-05 -0.24640E-05 2598 0.149E-02 8775 T= 6377. E= 0.67537592E+03 F= 0.62261700E+03 E0= 0.65232595E+03 EK= 0.52759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361703681008E+03 0.17480E+00 -0.16936E-01 8496 0.234E+01 0.289E-01 RMM: 2 -0.361713532687E+03 -0.98517E-02 -0.78496E-02 5307 0.631E-01 0.816E-01 RMM: 3 -0.361708944683E+03 0.45880E-02 -0.74128E-03 5583 0.181E-01 0.202E-01 RMM: 4 -0.361709466224E+03 -0.52154E-03 -0.11941E-03 4637 0.830E-02 0.362E-01 RMM: 5 -0.361708613793E+03 0.85243E-03 -0.42352E-04 4154 0.524E-02 0.101E-01 RMM: 6 -0.361708574073E+03 0.39720E-04 -0.91024E-05 3662 0.255E-02 0.725E-02 RMM: 7 -0.361708599198E+03 -0.25124E-04 -0.59671E-05 3404 0.209E-02 0.100E-01 RMM: 8 -0.361708536859E+03 0.62338E-04 -0.34659E-05 2980 0.183E-02 0.257E-02 RMM: 9 -0.361708542191E+03 -0.53322E-05 -0.13049E-05 2479 0.101E-02 8776 T= 6715. E= 0.67856968E+03 F= 0.62301671E+03 E0= 0.65275139E+03 EK= 0.55553E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361177363355E+03 0.53117E+00 -0.17435E-01 8532 0.238E+01 0.252E-01 RMM: 2 -0.361186608805E+03 -0.92455E-02 -0.85363E-02 5279 0.635E-01 0.641E-01 RMM: 3 -0.361183349806E+03 0.32590E-02 -0.68249E-03 5631 0.170E-01 0.186E-01 RMM: 4 -0.361183807969E+03 -0.45816E-03 -0.87743E-04 4639 0.710E-02 0.337E-01 RMM: 5 -0.361183066562E+03 0.74141E-03 -0.31492E-04 3963 0.453E-02 0.811E-02 RMM: 6 -0.361183039136E+03 0.27426E-04 -0.74233E-05 3507 0.237E-02 0.556E-02 RMM: 7 -0.361183054747E+03 -0.15611E-04 -0.33702E-05 2791 0.170E-02 8777 T= 6914. E= 0.68096379E+03 F= 0.62376375E+03 E0= 0.65351833E+03 EK= 0.57200E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360293928684E+03 0.88911E+00 -0.17438E-01 8496 0.239E+01 0.252E-01 RMM: 2 -0.360303323905E+03 -0.93952E-02 -0.85270E-02 5445 0.629E-01 0.655E-01 RMM: 3 -0.360299837038E+03 0.34869E-02 -0.60202E-03 5773 0.160E-01 0.187E-01 RMM: 4 -0.360300200501E+03 -0.36346E-03 -0.86362E-04 4643 0.710E-02 0.317E-01 RMM: 5 -0.360299528515E+03 0.67199E-03 -0.31426E-04 3905 0.447E-02 0.829E-02 RMM: 6 -0.360299537795E+03 -0.92795E-05 -0.98136E-05 3744 0.268E-02 8778 T= 6887. E= 0.68183734E+03 F= 0.62486334E+03 E0= 0.65463209E+03 EK= 0.56974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359119362846E+03 0.11802E+01 -0.17581E-01 8304 0.237E+01 0.337E-01 RMM: 2 -0.359144553705E+03 -0.25191E-01 -0.10010E-01 5214 0.701E-01 0.164E+00 RMM: 3 -0.359126226221E+03 0.18327E-01 -0.12294E-02 5368 0.259E-01 0.270E-01 RMM: 4 -0.359125976634E+03 0.24959E-03 -0.15147E-03 4751 0.830E-02 0.212E-01 RMM: 5 -0.359125806676E+03 0.16996E-03 -0.34769E-04 4115 0.474E-02 0.166E-01 RMM: 6 -0.359125658168E+03 0.14851E-03 -0.16907E-04 3877 0.361E-02 0.777E-02 RMM: 7 -0.359125726383E+03 -0.68215E-04 -0.95338E-05 3722 0.264E-02 0.127E-01 RMM: 8 -0.359125629935E+03 0.96449E-04 -0.48614E-05 3248 0.217E-02 0.382E-02 RMM: 9 -0.359125625515E+03 0.44199E-05 -0.12572E-05 2492 0.103E-02 8779 T= 6649. E= 0.68125374E+03 F= 0.62625083E+03 E0= 0.65602867E+03 EK= 0.55003E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357783621408E+03 0.13420E+01 -0.17327E-01 8316 0.232E+01 0.333E-01 RMM: 2 -0.357811800267E+03 -0.28179E-01 -0.10015E-01 5224 0.703E-01 0.176E+00 RMM: 3 -0.357790686580E+03 0.21114E-01 -0.12582E-02 5369 0.265E-01 0.318E-01 RMM: 4 -0.357790074658E+03 0.61192E-03 -0.16422E-03 4782 0.873E-02 0.156E-01 RMM: 5 -0.357790081974E+03 -0.73161E-05 -0.34736E-04 4268 0.497E-02 0.181E-01 RMM: 6 -0.357789875927E+03 0.20605E-03 -0.13666E-04 3874 0.323E-02 0.567E-02 RMM: 7 -0.357789936159E+03 -0.60232E-04 -0.88277E-05 3625 0.249E-02 0.112E-01 RMM: 8 -0.357789856258E+03 0.79901E-04 -0.44075E-05 3176 0.212E-02 0.238E-02 RMM: 9 -0.357789855181E+03 0.10772E-05 -0.77892E-06 2457 0.770E-03 8780 T= 6309. E= 0.67999308E+03 F= 0.62779979E+03 E0= 0.65758031E+03 EK= 0.52193E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356433064523E+03 0.13568E+01 -0.17195E-01 8328 0.226E+01 0.262E-01 RMM: 2 -0.356451083635E+03 -0.18019E-01 -0.99598E-02 5250 0.690E-01 0.121E+00 RMM: 3 -0.356440510417E+03 0.10573E-01 -0.93282E-03 5414 0.212E-01 0.228E-01 RMM: 4 -0.356440291638E+03 0.21878E-03 -0.10754E-03 4695 0.724E-02 0.173E-01 RMM: 5 -0.356440162636E+03 0.12900E-03 -0.33349E-04 4254 0.498E-02 0.142E-01 RMM: 6 -0.356440080946E+03 0.81691E-04 -0.14727E-04 3880 0.326E-02 0.914E-02 RMM: 7 -0.356440124947E+03 -0.44002E-04 -0.10008E-04 3728 0.274E-02 0.123E-01 RMM: 8 -0.356440031750E+03 0.93197E-04 -0.49778E-05 3284 0.215E-02 0.306E-02 RMM: 9 -0.356440032883E+03 -0.11330E-05 -0.11489E-05 2483 0.963E-03 8781 T= 6006. E= 0.67905035E+03 F= 0.62936281E+03 E0= 0.65914036E+03 EK= 0.49688E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355203002025E+03 0.12370E+01 -0.16299E-01 8484 0.223E+01 0.222E-01 RMM: 2 -0.355214664161E+03 -0.11662E-01 -0.90171E-02 5324 0.639E-01 0.802E-01 RMM: 3 -0.355209706637E+03 0.49575E-02 -0.71162E-03 5673 0.174E-01 0.171E-01 RMM: 4 -0.355209704459E+03 0.21778E-05 -0.73082E-04 4645 0.618E-02 0.203E-01 RMM: 5 -0.355209466428E+03 0.23803E-03 -0.25479E-04 3903 0.429E-02 0.108E-01 RMM: 6 -0.355209442908E+03 0.23520E-04 -0.12889E-04 3874 0.312E-02 0.900E-02 RMM: 7 -0.355209457520E+03 -0.14613E-04 -0.54367E-05 3350 0.214E-02 8782 T= 5848. E= 0.67918233E+03 F= 0.63080521E+03 E0= 0.66057457E+03 EK= 0.48377E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354194291661E+03 0.10152E+01 -0.16429E-01 8364 0.223E+01 0.236E-01 RMM: 2 -0.354205534761E+03 -0.11243E-01 -0.91491E-02 5329 0.644E-01 0.738E-01 RMM: 3 -0.354201157503E+03 0.43773E-02 -0.72432E-03 5519 0.174E-01 0.199E-01 RMM: 4 -0.354201221800E+03 -0.64297E-04 -0.89331E-04 4644 0.703E-02 0.246E-01 RMM: 5 -0.354200843186E+03 0.37861E-03 -0.32582E-04 4050 0.478E-02 0.104E-01 RMM: 6 -0.354200839726E+03 0.34596E-05 -0.12150E-04 3863 0.295E-02 8783 T= 5890. E= 0.68075104E+03 F= 0.63202167E+03 E0= 0.66177768E+03 EK= 0.48729E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353475750787E+03 0.72509E+00 -0.16326E-01 8628 0.227E+01 0.365E-01 RMM: 2 -0.353500263945E+03 -0.24513E-01 -0.88087E-02 5241 0.664E-01 0.166E+00 RMM: 3 -0.353481778843E+03 0.18485E-01 -0.13259E-02 5351 0.274E-01 0.363E-01 RMM: 4 -0.353480933406E+03 0.84544E-03 -0.16982E-03 4693 0.877E-02 0.153E-01 RMM: 5 -0.353481014688E+03 -0.81282E-04 -0.38353E-04 4147 0.483E-02 0.201E-01 RMM: 6 -0.353480765016E+03 0.24967E-03 -0.17185E-04 3887 0.369E-02 0.689E-02 RMM: 7 -0.353480782432E+03 -0.17416E-04 -0.61937E-05 3397 0.215E-02 8784 T= 6137. E= 0.68371187E+03 F= 0.63294285E+03 E0= 0.66268196E+03 EK= 0.50769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353073817730E+03 0.40695E+00 -0.17123E-01 8688 0.234E+01 0.378E-01 RMM: 2 -0.353103937135E+03 -0.30119E-01 -0.93409E-02 5248 0.691E-01 0.190E+00 RMM: 3 -0.353080033872E+03 0.23903E-01 -0.14251E-02 5353 0.287E-01 0.366E-01 RMM: 4 -0.353079286705E+03 0.74717E-03 -0.20195E-03 4792 0.974E-02 0.198E-01 RMM: 5 -0.353079331281E+03 -0.44576E-04 -0.42463E-04 4298 0.506E-02 0.221E-01 RMM: 6 -0.353079004953E+03 0.32633E-03 -0.17487E-04 3884 0.364E-02 0.577E-02 RMM: 7 -0.353078999476E+03 0.54774E-05 -0.35297E-05 2968 0.169E-02 8785 T= 6530. E= 0.68755612E+03 F= 0.63353740E+03 E0= 0.66325689E+03 EK= 0.54019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352983097183E+03 0.95908E-01 -0.18640E-01 8424 0.243E+01 0.379E-01 RMM: 2 -0.353013767388E+03 -0.30670E-01 -0.11487E-01 5087 0.770E-01 0.183E+00 RMM: 3 -0.352991239987E+03 0.22527E-01 -0.15928E-02 5358 0.299E-01 0.345E-01 RMM: 4 -0.352990684017E+03 0.55597E-03 -0.21021E-03 4905 0.971E-02 0.219E-01 RMM: 5 -0.352990631835E+03 0.52182E-04 -0.44611E-04 4291 0.504E-02 0.215E-01 RMM: 6 -0.352990324332E+03 0.30750E-03 -0.19315E-04 3888 0.376E-02 0.512E-02 RMM: 7 -0.352990330904E+03 -0.65726E-05 -0.34976E-05 2944 0.171E-02 8786 T= 6942. E= 0.69124083E+03 F= 0.63381064E+03 E0= 0.66351191E+03 EK= 0.57430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353168330638E+03 -0.17801E+00 -0.19440E-01 8268 0.250E+01 0.320E-01 RMM: 2 -0.353187882457E+03 -0.19552E-01 -0.11300E-01 5137 0.763E-01 0.128E+00 RMM: 3 -0.353176658708E+03 0.11224E-01 -0.12619E-02 5407 0.251E-01 0.267E-01 RMM: 4 -0.353176602607E+03 0.56101E-04 -0.16118E-03 4773 0.883E-02 0.264E-01 RMM: 5 -0.353176297946E+03 0.30466E-03 -0.36809E-04 4091 0.470E-02 0.179E-01 RMM: 6 -0.353176085222E+03 0.21272E-03 -0.15157E-04 3879 0.338E-02 0.512E-02 RMM: 7 -0.353176108061E+03 -0.22840E-04 -0.52323E-05 3259 0.199E-02 0.833E-02 RMM: 8 -0.353176076431E+03 0.31630E-04 -0.42844E-05 2809 0.185E-02 0.523E-02 RMM: 9 -0.353176062518E+03 0.13914E-04 -0.19581E-05 2529 0.130E-02 8787 T= 7204. E= 0.69339703E+03 F= 0.63380337E+03 E0= 0.66348969E+03 EK= 0.59594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353568257549E+03 -0.39218E+00 -0.20528E-01 8244 0.253E+01 0.284E-01 RMM: 2 -0.353586827269E+03 -0.18570E-01 -0.12591E-01 5078 0.781E-01 0.111E+00 RMM: 3 -0.353577912701E+03 0.89146E-02 -0.12372E-02 5451 0.235E-01 0.204E-01 RMM: 4 -0.353578141585E+03 -0.22888E-03 -0.14238E-03 4761 0.838E-02 0.301E-01 RMM: 5 -0.353577618680E+03 0.52291E-03 -0.32423E-04 4004 0.443E-02 0.133E-01 RMM: 6 -0.353577505861E+03 0.11282E-03 -0.10191E-04 3737 0.283E-02 0.426E-02 RMM: 7 -0.353577530831E+03 -0.24970E-04 -0.40627E-05 3018 0.179E-02 0.809E-02 RMM: 8 -0.353577492598E+03 0.38233E-04 -0.32325E-05 2632 0.166E-02 0.363E-02 RMM: 9 -0.353577487046E+03 0.55521E-05 -0.15592E-05 2484 0.115E-02 8788 T= 7186. E= 0.69302140E+03 F= 0.63357770E+03 E0= 0.66325582E+03 EK= 0.59444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354133013570E+03 -0.55552E+00 -0.19513E-01 8304 0.251E+01 0.272E-01 RMM: 2 -0.354147390889E+03 -0.14377E-01 -0.10627E-01 5122 0.736E-01 0.948E-01 RMM: 3 -0.354141015368E+03 0.63755E-02 -0.10661E-02 5591 0.216E-01 0.192E-01 RMM: 4 -0.354141086112E+03 -0.70744E-04 -0.10803E-03 4661 0.735E-02 0.254E-01 RMM: 5 -0.354140706420E+03 0.37969E-03 -0.26515E-04 3911 0.416E-02 0.118E-01 RMM: 6 -0.354140629387E+03 0.77033E-04 -0.97508E-05 3681 0.275E-02 0.590E-02 RMM: 7 -0.354140675440E+03 -0.46052E-04 -0.70637E-05 3555 0.223E-02 0.105E-01 RMM: 8 -0.354140607923E+03 0.67517E-04 -0.34671E-05 2917 0.182E-02 0.342E-02 RMM: 9 -0.354140602914E+03 0.50090E-05 -0.12305E-05 2468 0.999E-03 8789 T= 6891. E= 0.69019909E+03 F= 0.63319139E+03 E0= 0.66286947E+03 EK= 0.57008E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354826894570E+03 -0.68629E+00 -0.18144E-01 8232 0.244E+01 0.255E-01 RMM: 2 -0.354840337642E+03 -0.13443E-01 -0.96653E-02 5101 0.709E-01 0.929E-01 RMM: 3 -0.354834277929E+03 0.60597E-02 -0.97567E-03 5672 0.203E-01 0.205E-01 RMM: 4 -0.354834154915E+03 0.12301E-03 -0.96554E-04 4638 0.715E-02 0.205E-01 RMM: 5 -0.354833973170E+03 0.18175E-03 -0.25706E-04 3914 0.416E-02 0.147E-01 RMM: 6 -0.354833847272E+03 0.12590E-03 -0.12376E-04 3879 0.314E-02 0.608E-02 RMM: 7 -0.354833913337E+03 -0.66065E-04 -0.81264E-05 3614 0.239E-02 0.118E-01 RMM: 8 -0.354833828970E+03 0.84367E-04 -0.42894E-05 3139 0.205E-02 0.362E-02 RMM: 9 -0.354833823208E+03 0.57618E-05 -0.11524E-05 2472 0.966E-03 8790 T= 6453. E= 0.68606284E+03 F= 0.63267899E+03 E0= 0.66236515E+03 EK= 0.53384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355634507516E+03 -0.80068E+00 -0.17330E-01 8076 0.236E+01 0.238E-01 RMM: 2 -0.355648810148E+03 -0.14303E-01 -0.96068E-02 5024 0.708E-01 0.976E-01 RMM: 3 -0.355642015699E+03 0.67944E-02 -0.97004E-03 5582 0.201E-01 0.185E-01 RMM: 4 -0.355641935510E+03 0.80189E-04 -0.89454E-04 4673 0.690E-02 0.197E-01 RMM: 5 -0.355641727308E+03 0.20820E-03 -0.26459E-04 3946 0.438E-02 0.121E-01 RMM: 6 -0.355641663237E+03 0.64072E-04 -0.13334E-04 3879 0.316E-02 0.779E-02 RMM: 7 -0.355641714615E+03 -0.51378E-04 -0.73895E-05 3562 0.238E-02 0.117E-01 RMM: 8 -0.355641630038E+03 0.84577E-04 -0.40379E-05 3116 0.199E-02 0.321E-02 RMM: 9 -0.355641627518E+03 0.25198E-05 -0.10832E-05 2468 0.937E-03 8791 T= 6041. E= 0.68203258E+03 F= 0.63205727E+03 E0= 0.66175839E+03 EK= 0.49975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356535952529E+03 -0.89432E+00 -0.15753E-01 8100 0.230E+01 0.241E-01 RMM: 2 -0.356547441282E+03 -0.11489E-01 -0.72502E-02 5189 0.616E-01 0.954E-01 RMM: 3 -0.356541251700E+03 0.61896E-02 -0.71261E-03 5501 0.180E-01 0.206E-01 RMM: 4 -0.356541115615E+03 0.13609E-03 -0.85811E-04 4631 0.669E-02 0.179E-01 RMM: 5 -0.356540983196E+03 0.13242E-03 -0.25405E-04 3897 0.420E-02 0.140E-01 RMM: 6 -0.356540877946E+03 0.10525E-03 -0.12432E-04 3878 0.315E-02 0.677E-02 RMM: 7 -0.356540936319E+03 -0.58373E-04 -0.81360E-05 3625 0.244E-02 0.115E-01 RMM: 8 -0.356540853838E+03 0.82481E-04 -0.41728E-05 3148 0.205E-02 0.311E-02 RMM: 9 -0.356540850979E+03 0.28591E-05 -0.10637E-05 2466 0.930E-03 8792 T= 5779. E= 0.67915463E+03 F= 0.63134852E+03 E0= 0.66106973E+03 EK= 0.47806E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357479659199E+03 -0.93881E+00 -0.15075E-01 8172 0.227E+01 0.228E-01 RMM: 2 -0.357490095551E+03 -0.10436E-01 -0.68826E-02 5132 0.588E-01 0.879E-01 RMM: 3 -0.357484642033E+03 0.54535E-02 -0.65234E-03 5473 0.171E-01 0.179E-01 RMM: 4 -0.357484696163E+03 -0.54129E-04 -0.84366E-04 4625 0.674E-02 0.217E-01 RMM: 5 -0.357484414718E+03 0.28144E-03 -0.23855E-04 3888 0.405E-02 0.104E-01 RMM: 6 -0.357484368410E+03 0.46308E-04 -0.85418E-05 3625 0.259E-02 0.672E-02 RMM: 7 -0.357484399469E+03 -0.31059E-04 -0.56825E-05 3324 0.211E-02 0.949E-02 RMM: 8 -0.357484343271E+03 0.56198E-04 -0.32702E-05 2945 0.185E-02 0.263E-02 RMM: 9 -0.357484341889E+03 0.13824E-05 -0.82467E-06 2451 0.800E-03 8793 T= 5723. E= 0.67794033E+03 F= 0.63059725E+03 E0= 0.66034261E+03 EK= 0.47343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358392906773E+03 -0.90856E+00 -0.15454E-01 8148 0.228E+01 0.241E-01 RMM: 2 -0.358402374073E+03 -0.94673E-02 -0.71364E-02 5144 0.600E-01 0.796E-01 RMM: 3 -0.358398031373E+03 0.43427E-02 -0.69258E-03 5544 0.172E-01 0.182E-01 RMM: 4 -0.358398153135E+03 -0.12176E-03 -0.88882E-04 4632 0.694E-02 0.249E-01 RMM: 5 -0.358397817320E+03 0.33581E-03 -0.24985E-04 3890 0.398E-02 0.133E-01 RMM: 6 -0.358397709696E+03 0.10762E-03 -0.10377E-04 3789 0.291E-02 0.493E-02 RMM: 7 -0.358397755883E+03 -0.46187E-04 -0.55149E-05 3312 0.202E-02 0.991E-02 RMM: 8 -0.358397696327E+03 0.59556E-04 -0.31465E-05 2848 0.181E-02 0.278E-02 RMM: 9 -0.358397694672E+03 0.16555E-05 -0.10285E-05 2453 0.900E-03 8794 T= 5873. E= 0.67846392E+03 F= 0.62987436E+03 E0= 0.65964687E+03 EK= 0.48590E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359180199664E+03 -0.78250E+00 -0.16166E-01 8376 0.232E+01 0.238E-01 RMM: 2 -0.359189735133E+03 -0.95355E-02 -0.77211E-02 5200 0.614E-01 0.743E-01 RMM: 3 -0.359185797242E+03 0.39379E-02 -0.69034E-03 5551 0.169E-01 0.177E-01 RMM: 4 -0.359186041712E+03 -0.24447E-03 -0.91100E-04 4625 0.712E-02 0.282E-01 RMM: 5 -0.359185514321E+03 0.52739E-03 -0.28399E-04 3901 0.430E-02 0.791E-02 RMM: 6 -0.359185486954E+03 0.27367E-04 -0.53064E-05 3277 0.208E-02 0.553E-02 RMM: 7 -0.359185504595E+03 -0.17641E-04 -0.45100E-05 3063 0.185E-02 8795 T= 6183. E= 0.68042223E+03 F= 0.62927220E+03 E0= 0.65907409E+03 EK= 0.51150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359742443357E+03 -0.55696E+00 -0.17168E-01 8508 0.238E+01 0.244E-01 RMM: 2 -0.359751784354E+03 -0.93410E-02 -0.83399E-02 5278 0.640E-01 0.672E-01 RMM: 3 -0.359748602775E+03 0.31816E-02 -0.72209E-03 5712 0.167E-01 0.191E-01 RMM: 4 -0.359748838963E+03 -0.23619E-03 -0.89734E-04 4640 0.709E-02 0.295E-01 RMM: 5 -0.359748259429E+03 0.57953E-03 -0.29279E-04 3903 0.429E-02 0.817E-02 RMM: 6 -0.359748233227E+03 0.26201E-04 -0.60695E-05 3397 0.217E-02 0.601E-02 RMM: 7 -0.359748246188E+03 -0.12961E-04 -0.51008E-05 3131 0.184E-02 8796 T= 6554. E= 0.68310838E+03 F= 0.62888861E+03 E0= 0.65872030E+03 EK= 0.54220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360001751199E+03 -0.25352E+00 -0.18736E-01 8280 0.244E+01 0.250E-01 RMM: 2 -0.360013958681E+03 -0.12207E-01 -0.10150E-01 5183 0.703E-01 0.792E-01 RMM: 3 -0.360009494317E+03 0.44644E-02 -0.93807E-03 5706 0.187E-01 0.182E-01 RMM: 4 -0.360009700419E+03 -0.20610E-03 -0.10024E-03 4678 0.744E-02 0.292E-01 RMM: 5 -0.360009148986E+03 0.55143E-03 -0.29947E-04 3932 0.439E-02 0.857E-02 RMM: 6 -0.360009109495E+03 0.39490E-04 -0.61781E-05 3377 0.222E-02 0.504E-02 RMM: 7 -0.360009131790E+03 -0.22294E-04 -0.44094E-05 3012 0.178E-02 0.836E-02 RMM: 8 -0.360009090728E+03 0.41062E-04 -0.34446E-05 2685 0.175E-02 0.268E-02 RMM: 9 -0.360009093155E+03 -0.24274E-05 -0.13890E-05 2471 0.105E-02 8797 T= 6852. E= 0.68548274E+03 F= 0.62880053E+03 E0= 0.65866136E+03 EK= 0.56682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359938961212E+03 0.70130E-01 -0.19419E-01 8340 0.246E+01 0.228E-01 RMM: 2 -0.359949745162E+03 -0.10784E-01 -0.95066E-02 5237 0.668E-01 0.693E-01 RMM: 3 -0.359946167384E+03 0.35778E-02 -0.79059E-03 5751 0.173E-01 0.169E-01 RMM: 4 -0.359946351947E+03 -0.18456E-03 -0.81246E-04 4634 0.675E-02 0.273E-01 RMM: 5 -0.359945863207E+03 0.48874E-03 -0.25733E-04 3902 0.407E-02 0.857E-02 RMM: 6 -0.359945823331E+03 0.39876E-04 -0.66144E-05 3431 0.229E-02 0.521E-02 RMM: 7 -0.359945840465E+03 -0.17134E-04 -0.59620E-05 3414 0.205E-02 8798 T= 6953. E= 0.68655431E+03 F= 0.62903178E+03 E0= 0.65891824E+03 EK= 0.57523E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359606385344E+03 0.33944E+00 -0.19404E-01 8316 0.245E+01 0.222E-01 RMM: 2 -0.359616548875E+03 -0.10164E-01 -0.88874E-02 5273 0.652E-01 0.679E-01 RMM: 3 -0.359612930852E+03 0.36180E-02 -0.74335E-03 5893 0.171E-01 0.143E-01 RMM: 4 -0.359613080957E+03 -0.15011E-03 -0.68529E-04 4644 0.601E-02 0.247E-01 RMM: 5 -0.359612708299E+03 0.37266E-03 -0.20204E-04 3885 0.366E-02 0.911E-02 RMM: 6 -0.359612680155E+03 0.28144E-04 -0.76962E-05 3533 0.246E-02 0.682E-02 RMM: 7 -0.359612705874E+03 -0.25719E-04 -0.63465E-05 3464 0.216E-02 0.944E-02 RMM: 8 -0.359612652013E+03 0.53860E-04 -0.29218E-05 2846 0.169E-02 0.240E-02 RMM: 9 -0.359612653041E+03 -0.10272E-05 -0.96185E-06 2452 0.844E-03 8799 T= 6819. E= 0.68594406E+03 F= 0.62953053E+03 E0= 0.65943726E+03 EK= 0.56414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359120862533E+03 0.49179E+00 -0.18891E-01 8040 0.240E+01 0.191E-01 RMM: 2 -0.359130575573E+03 -0.97130E-02 -0.87245E-02 5320 0.636E-01 0.613E-01 RMM: 3 -0.359127503820E+03 0.30718E-02 -0.64337E-03 5916 0.156E-01 0.135E-01 RMM: 4 -0.359127553632E+03 -0.49811E-04 -0.54147E-04 4617 0.550E-02 0.210E-01 RMM: 5 -0.359127275281E+03 0.27835E-03 -0.18444E-04 3877 0.365E-02 0.802E-02 RMM: 6 -0.359127262781E+03 0.12500E-04 -0.84002E-05 3605 0.253E-02 8800 T= 6520. E= 0.68412055E+03 F= 0.63018115E+03 E0= 0.66010096E+03 EK= 0.53939E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358627120949E+03 0.50015E+00 -0.18332E-01 8328 0.233E+01 0.303E-01 RMM: 2 -0.358651710509E+03 -0.24590E-01 -0.83107E-02 5317 0.658E-01 0.166E+00 RMM: 3 -0.358633063567E+03 0.18647E-01 -0.10031E-02 5355 0.236E-01 0.267E-01 RMM: 4 -0.358632645388E+03 0.41818E-03 -0.12094E-03 4644 0.725E-02 0.138E-01 RMM: 5 -0.358632623909E+03 0.21479E-04 -0.29503E-04 3993 0.466E-02 0.152E-01 RMM: 6 -0.358632506732E+03 0.11718E-03 -0.14563E-04 3880 0.331E-02 0.821E-02 RMM: 7 -0.358632579356E+03 -0.72624E-04 -0.11649E-04 3864 0.291E-02 0.131E-01 RMM: 8 -0.358632477867E+03 0.10149E-03 -0.61952E-05 3441 0.240E-02 0.427E-02 RMM: 9 -0.358632472010E+03 0.58568E-05 -0.13217E-05 2502 0.107E-02 8801 T= 6190. E= 0.68204685E+03 F= 0.63084194E+03 E0= 0.66076671E+03 EK= 0.51205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358247661498E+03 0.38482E+00 -0.17656E-01 7848 0.228E+01 0.290E-01 RMM: 2 -0.358273147907E+03 -0.25486E-01 -0.80899E-02 5200 0.653E-01 0.169E+00 RMM: 3 -0.358253374807E+03 0.19773E-01 -0.10512E-02 5362 0.245E-01 0.263E-01 RMM: 4 -0.358252963029E+03 0.41178E-03 -0.12861E-03 4676 0.770E-02 0.131E-01 RMM: 5 -0.358252963930E+03 -0.90165E-06 -0.23333E-04 3900 0.411E-02 0.155E-01 RMM: 6 -0.358252813229E+03 0.15070E-03 -0.10211E-04 3810 0.292E-02 0.475E-02 RMM: 7 -0.358252864826E+03 -0.51597E-04 -0.65529E-05 3438 0.221E-02 0.102E-01 RMM: 8 -0.358252799888E+03 0.64937E-04 -0.34928E-05 2969 0.192E-02 0.253E-02 RMM: 9 -0.358252797912E+03 0.19759E-05 -0.83194E-06 2452 0.812E-03 8802 T= 5953. E= 0.68063216E+03 F= 0.63138803E+03 E0= 0.66131024E+03 EK= 0.49244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358063761889E+03 0.18904E+00 -0.17035E-01 7944 0.226E+01 0.240E-01 RMM: 2 -0.358077914945E+03 -0.14153E-01 -0.77814E-02 5101 0.646E-01 0.111E+00 RMM: 3 -0.358069667769E+03 0.82472E-02 -0.80802E-03 5395 0.200E-01 0.220E-01 RMM: 4 -0.358069419570E+03 0.24820E-03 -0.87461E-04 4637 0.649E-02 0.134E-01 RMM: 5 -0.358069380639E+03 0.38931E-04 -0.21689E-04 3894 0.395E-02 0.134E-01 RMM: 6 -0.358069279308E+03 0.10133E-03 -0.92726E-05 3712 0.271E-02 0.607E-02 RMM: 7 -0.358069327236E+03 -0.47928E-04 -0.77477E-05 3574 0.242E-02 0.104E-01 RMM: 8 -0.358069261602E+03 0.65634E-04 -0.39453E-05 3108 0.199E-02 0.327E-02 RMM: 9 -0.358069257354E+03 0.42480E-05 -0.96852E-06 2464 0.905E-03 8803 T= 5886. E= 0.68042779E+03 F= 0.63173682E+03 E0= 0.66165006E+03 EK= 0.48691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358105357713E+03 -0.36096E-01 -0.16717E-01 7980 0.227E+01 0.208E-01 RMM: 2 -0.358115570964E+03 -0.10213E-01 -0.65230E-02 5132 0.581E-01 0.874E-01 RMM: 3 -0.358110101510E+03 0.54695E-02 -0.57662E-03 5417 0.164E-01 0.156E-01 RMM: 4 -0.358110168273E+03 -0.66763E-04 -0.72427E-04 4634 0.624E-02 0.201E-01 RMM: 5 -0.358109935276E+03 0.23300E-03 -0.18398E-04 3876 0.352E-02 0.934E-02 RMM: 6 -0.358109890026E+03 0.45250E-04 -0.54422E-05 3266 0.217E-02 0.484E-02 RMM: 7 -0.358109921777E+03 -0.31751E-04 -0.41306E-05 3033 0.183E-02 0.849E-02 RMM: 8 -0.358109877393E+03 0.44384E-04 -0.27057E-05 2708 0.170E-02 0.189E-02 RMM: 9 -0.358109878534E+03 -0.11409E-05 -0.68032E-06 2443 0.718E-03 8804 T= 6010. E= 0.68157909E+03 F= 0.63185811E+03 E0= 0.66175742E+03 EK= 0.49721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358346065177E+03 -0.23619E+00 -0.17500E-01 8112 0.231E+01 0.227E-01 RMM: 2 -0.358357414749E+03 -0.11350E-01 -0.81314E-02 5025 0.656E-01 0.867E-01 RMM: 3 -0.358352209260E+03 0.52055E-02 -0.77960E-03 5524 0.183E-01 0.178E-01 RMM: 4 -0.358352236094E+03 -0.26834E-04 -0.88313E-04 4638 0.702E-02 0.214E-01 RMM: 5 -0.358351988459E+03 0.24763E-03 -0.20991E-04 3882 0.365E-02 0.110E-01 RMM: 6 -0.358351913515E+03 0.74945E-04 -0.60522E-05 3372 0.229E-02 0.399E-02 RMM: 7 -0.358351940324E+03 -0.26809E-04 -0.33598E-05 2849 0.166E-02 0.786E-02 RMM: 8 -0.358351904415E+03 0.35909E-04 -0.25855E-05 2579 0.160E-02 0.267E-02 RMM: 9 -0.358351902937E+03 0.14776E-05 -0.91770E-06 2446 0.881E-03 8805 T= 6293. E= 0.68383038E+03 F= 0.63177280E+03 E0= 0.66165484E+03 EK= 0.52058E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358724355721E+03 -0.37245E+00 -0.18048E-01 8472 0.238E+01 0.231E-01 RMM: 2 -0.358734584236E+03 -0.10229E-01 -0.74988E-02 5243 0.627E-01 0.820E-01 RMM: 3 -0.358729787574E+03 0.47967E-02 -0.62943E-03 5494 0.168E-01 0.169E-01 RMM: 4 -0.358729997180E+03 -0.20961E-03 -0.88522E-04 4624 0.704E-02 0.260E-01 RMM: 5 -0.358729577384E+03 0.41980E-03 -0.23900E-04 3889 0.391E-02 0.966E-02 RMM: 6 -0.358729521698E+03 0.55686E-04 -0.47303E-05 3181 0.202E-02 0.402E-02 RMM: 7 -0.358729536966E+03 -0.15268E-04 -0.31177E-05 2677 0.159E-02 8806 T= 6643. E= 0.68650087E+03 F= 0.63154585E+03 E0= 0.66140923E+03 EK= 0.54955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359145180802E+03 -0.41566E+00 -0.18582E-01 8544 0.245E+01 0.238E-01 RMM: 2 -0.359155583145E+03 -0.10402E-01 -0.82431E-02 5253 0.658E-01 0.786E-01 RMM: 3 -0.359151296523E+03 0.42866E-02 -0.69856E-03 5621 0.173E-01 0.185E-01 RMM: 4 -0.359151437208E+03 -0.14068E-03 -0.92113E-04 4636 0.718E-02 0.262E-01 RMM: 5 -0.359151004376E+03 0.43283E-03 -0.25889E-04 3910 0.414E-02 0.827E-02 RMM: 6 -0.359150967158E+03 0.37217E-04 -0.36388E-05 2992 0.179E-02 0.448E-02 RMM: 7 -0.359150978562E+03 -0.11404E-04 -0.38291E-05 2856 0.171E-02 8807 T= 6926. E= 0.68856932E+03 F= 0.63126959E+03 E0= 0.66111444E+03 EK= 0.57300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359521366083E+03 -0.37040E+00 -0.19103E-01 8316 0.248E+01 0.236E-01 RMM: 2 -0.359533101579E+03 -0.11735E-01 -0.93705E-02 5117 0.701E-01 0.807E-01 RMM: 3 -0.359528494898E+03 0.46067E-02 -0.84487E-03 5706 0.186E-01 0.174E-01 RMM: 4 -0.359528623578E+03 -0.12868E-03 -0.91711E-04 4651 0.725E-02 0.254E-01 RMM: 5 -0.359528213573E+03 0.41000E-03 -0.23931E-04 3881 0.394E-02 0.978E-02 RMM: 6 -0.359528158684E+03 0.54890E-04 -0.58087E-05 3333 0.222E-02 0.409E-02 RMM: 7 -0.359528177301E+03 -0.18618E-04 -0.31534E-05 2634 0.152E-02 8808 T= 7016. E= 0.68907134E+03 F= 0.63103372E+03 E0= 0.66086188E+03 EK= 0.58038E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359805221054E+03 -0.27706E+00 -0.18868E-01 7992 0.248E+01 0.222E-01 RMM: 2 -0.359817133087E+03 -0.11912E-01 -0.93166E-02 5107 0.692E-01 0.816E-01 RMM: 3 -0.359812402331E+03 0.47308E-02 -0.82904E-03 5719 0.186E-01 0.167E-01 RMM: 4 -0.359812458266E+03 -0.55935E-04 -0.80534E-04 4639 0.671E-02 0.225E-01 RMM: 5 -0.359812129806E+03 0.32846E-03 -0.20261E-04 3877 0.365E-02 0.826E-02 RMM: 6 -0.359812101433E+03 0.28373E-04 -0.54435E-05 3296 0.213E-02 0.551E-02 RMM: 7 -0.359812129060E+03 -0.27627E-04 -0.42762E-05 2984 0.172E-02 0.926E-02 RMM: 8 -0.359812076787E+03 0.52273E-04 -0.40311E-05 3058 0.192E-02 0.199E-02 RMM: 9 -0.359812081526E+03 -0.47390E-05 -0.11069E-05 2455 0.961E-03 8809 T= 6865. E= 0.68768318E+03 F= 0.63088946E+03 E0= 0.66070344E+03 EK= 0.56794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360001371173E+03 -0.18929E+00 -0.18102E-01 7824 0.243E+01 0.199E-01 RMM: 2 -0.360012213316E+03 -0.10842E-01 -0.92572E-02 5115 0.681E-01 0.689E-01 RMM: 3 -0.360008623463E+03 0.35899E-02 -0.80590E-03 5916 0.174E-01 0.147E-01 RMM: 4 -0.360008604182E+03 0.19281E-04 -0.65530E-04 4631 0.627E-02 0.202E-01 RMM: 5 -0.360008341279E+03 0.26290E-03 -0.18354E-04 3878 0.359E-02 0.874E-02 RMM: 6 -0.360008312481E+03 0.28798E-04 -0.70605E-05 3472 0.240E-02 0.589E-02 RMM: 7 -0.360008329823E+03 -0.17342E-04 -0.41708E-05 2914 0.176E-02 8810 T= 6543. E= 0.68496308E+03 F= 0.63083307E+03 E0= 0.66063668E+03 EK= 0.54130E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360157813246E+03 -0.14950E+00 -0.16954E-01 8016 0.237E+01 0.206E-01 RMM: 2 -0.360169504842E+03 -0.11692E-01 -0.88468E-02 5137 0.683E-01 0.820E-01 RMM: 3 -0.360164826667E+03 0.46782E-02 -0.82820E-03 5830 0.180E-01 0.160E-01 RMM: 4 -0.360164672461E+03 0.15421E-03 -0.60222E-04 4650 0.571E-02 0.155E-01 RMM: 5 -0.360164517489E+03 0.15497E-03 -0.17031E-04 3886 0.358E-02 0.780E-02 RMM: 6 -0.360164542489E+03 -0.25000E-04 -0.85096E-05 3641 0.253E-02 0.101E-01 RMM: 7 -0.360164530605E+03 0.11884E-04 -0.56087E-05 3325 0.210E-02 8811 T= 6184. E= 0.68197784E+03 F= 0.63081788E+03 E0= 0.66061304E+03 EK= 0.51160E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360336449961E+03 -0.17191E+00 -0.16313E-01 7920 0.230E+01 0.188E-01 RMM: 2 -0.360347330436E+03 -0.10880E-01 -0.88821E-02 5027 0.685E-01 0.709E-01 RMM: 3 -0.360343724916E+03 0.36055E-02 -0.85348E-03 5872 0.174E-01 0.145E-01 RMM: 4 -0.360343601706E+03 0.12321E-03 -0.58327E-04 4611 0.603E-02 0.163E-01 RMM: 5 -0.360343426132E+03 0.17557E-03 -0.16923E-04 3881 0.356E-02 0.781E-02 RMM: 6 -0.360343448509E+03 -0.22376E-04 -0.91609E-05 3719 0.263E-02 0.967E-02 RMM: 7 -0.360343441760E+03 0.67486E-05 -0.50102E-05 3190 0.201E-02 8812 T= 5916. E= 0.67971923E+03 F= 0.63078078E+03 E0= 0.66057004E+03 EK= 0.48938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360587478659E+03 -0.24403E+00 -0.15596E-01 7848 0.227E+01 0.192E-01 RMM: 2 -0.360597432907E+03 -0.99542E-02 -0.74815E-02 5057 0.637E-01 0.769E-01 RMM: 3 -0.360593398284E+03 0.40346E-02 -0.73076E-03 5690 0.171E-01 0.158E-01 RMM: 4 -0.360593267607E+03 0.13068E-03 -0.56057E-04 4622 0.552E-02 0.143E-01 RMM: 5 -0.360593146384E+03 0.12122E-03 -0.15288E-04 3881 0.335E-02 0.841E-02 RMM: 6 -0.360593134608E+03 0.11776E-04 -0.76540E-05 3549 0.247E-02 8813 T= 5817. E= 0.67879191E+03 F= 0.63067215E+03 E0= 0.66045572E+03 EK= 0.48120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360922545273E+03 -0.32940E+00 -0.15424E-01 7824 0.227E+01 0.297E-01 RMM: 2 -0.360944916665E+03 -0.22371E-01 -0.73723E-02 5053 0.633E-01 0.158E+00 RMM: 3 -0.360927891311E+03 0.17025E-01 -0.10806E-02 5350 0.246E-01 0.284E-01 RMM: 4 -0.360927431659E+03 0.45965E-03 -0.12834E-03 4648 0.733E-02 0.130E-01 RMM: 5 -0.360927444038E+03 -0.12379E-04 -0.25168E-04 3898 0.410E-02 0.153E-01 RMM: 6 -0.360927301151E+03 0.14289E-03 -0.10007E-04 3721 0.284E-02 0.555E-02 RMM: 7 -0.360927327280E+03 -0.26129E-04 -0.57856E-05 3338 0.213E-02 0.834E-02 RMM: 8 -0.360927291779E+03 0.35501E-04 -0.26072E-05 2696 0.164E-02 0.396E-02 RMM: 9 -0.360927283606E+03 0.81732E-05 -0.10149E-05 2466 0.950E-03 8814 T= 5912. E= 0.67938562E+03 F= 0.63047616E+03 E0= 0.66025455E+03 EK= 0.48909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361314917099E+03 -0.38763E+00 -0.15653E-01 7776 0.231E+01 0.322E-01 RMM: 2 -0.361341467659E+03 -0.26551E-01 -0.67564E-02 5051 0.624E-01 0.180E+00 RMM: 3 -0.361319437211E+03 0.22030E-01 -0.11110E-02 5340 0.257E-01 0.299E-01 RMM: 4 -0.361318900244E+03 0.53697E-03 -0.15391E-03 4673 0.838E-02 0.142E-01 RMM: 5 -0.361318946573E+03 -0.46329E-04 -0.22944E-04 3884 0.372E-02 0.175E-01 RMM: 6 -0.361318748751E+03 0.19782E-03 -0.90627E-05 3622 0.278E-02 0.307E-02 RMM: 7 -0.361318751586E+03 -0.28349E-05 -0.21695E-05 2554 0.136E-02 8815 T= 6176. E= 0.68130724E+03 F= 0.63021801E+03 E0= 0.65999045E+03 EK= 0.51089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361695634272E+03 -0.37689E+00 -0.16677E-01 8028 0.237E+01 0.247E-01 RMM: 2 -0.361710243867E+03 -0.14610E-01 -0.67562E-02 5140 0.607E-01 0.119E+00 RMM: 3 -0.361700601068E+03 0.96428E-02 -0.75579E-03 5378 0.194E-01 0.189E-01 RMM: 4 -0.361700635992E+03 -0.34925E-04 -0.10531E-03 4623 0.721E-02 0.218E-01 RMM: 5 -0.361700392482E+03 0.24351E-03 -0.23035E-04 3889 0.383E-02 0.115E-01 RMM: 6 -0.361700307988E+03 0.84494E-04 -0.52202E-05 3252 0.213E-02 0.378E-02 RMM: 7 -0.361700321372E+03 -0.13383E-04 -0.33933E-05 2882 0.169E-02 8816 T= 6527. E= 0.68395820E+03 F= 0.62996387E+03 E0= 0.65972846E+03 EK= 0.53994E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361973493528E+03 -0.27319E+00 -0.17447E-01 7908 0.243E+01 0.238E-01 RMM: 2 -0.361984628061E+03 -0.11135E-01 -0.70565E-02 5080 0.647E-01 0.958E-01 RMM: 3 -0.361978607277E+03 0.60208E-02 -0.75664E-03 5418 0.189E-01 0.165E-01 RMM: 4 -0.361978741143E+03 -0.13387E-03 -0.95687E-04 4626 0.712E-02 0.230E-01 RMM: 5 -0.361978414210E+03 0.32693E-03 -0.21357E-04 3874 0.360E-02 0.951E-02 RMM: 6 -0.361978360685E+03 0.53524E-04 -0.43844E-05 3132 0.196E-02 0.356E-02 RMM: 7 -0.361978364281E+03 -0.35953E-05 -0.19900E-05 2510 0.130E-02 8817 T= 6837. E= 0.68637147E+03 F= 0.62980749E+03 E0= 0.65956268E+03 EK= 0.56564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362054702970E+03 -0.76342E-01 -0.18988E-01 7968 0.248E+01 0.222E-01 RMM: 2 -0.362067480989E+03 -0.12778E-01 -0.92434E-02 4892 0.715E-01 0.875E-01 RMM: 3 -0.362062196068E+03 0.52849E-02 -0.10080E-02 5573 0.199E-01 0.165E-01 RMM: 4 -0.362062271141E+03 -0.75074E-04 -0.93523E-04 4654 0.722E-02 0.238E-01 RMM: 5 -0.362061919959E+03 0.35118E-03 -0.23748E-04 3906 0.398E-02 0.841E-02 RMM: 6 -0.362061877482E+03 0.42477E-04 -0.42179E-05 3078 0.191E-02 0.386E-02 RMM: 7 -0.362061886271E+03 -0.87891E-05 -0.28027E-05 2565 0.154E-02 8818 T= 6973. E= 0.68753041E+03 F= 0.62984104E+03 E0= 0.65958501E+03 EK= 0.57689E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361892255229E+03 0.16962E+00 -0.19819E-01 7596 0.248E+01 0.205E-01 RMM: 2 -0.361903515900E+03 -0.11261E-01 -0.97123E-02 4898 0.733E-01 0.700E-01 RMM: 3 -0.361900161495E+03 0.33544E-02 -0.10661E-02 5761 0.196E-01 0.133E-01 RMM: 4 -0.361900224707E+03 -0.63212E-04 -0.74279E-04 4665 0.640E-02 0.224E-01 RMM: 5 -0.361899899067E+03 0.32564E-03 -0.17963E-04 3874 0.349E-02 0.737E-02 RMM: 6 -0.361899869449E+03 0.29618E-04 -0.39227E-05 3048 0.184E-02 0.370E-02 RMM: 7 -0.361899879524E+03 -0.10075E-04 -0.25633E-05 2551 0.149E-02 8819 T= 6869. E= 0.68693895E+03 F= 0.63011724E+03 E0= 0.65984897E+03 EK= 0.56822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361495293661E+03 0.40458E+00 -0.18571E-01 7704 0.244E+01 0.206E-01 RMM: 2 -0.361506538172E+03 -0.11245E-01 -0.72749E-02 5027 0.638E-01 0.909E-01 RMM: 3 -0.361500965400E+03 0.55728E-02 -0.75861E-03 5565 0.180E-01 0.154E-01 RMM: 4 -0.361500943731E+03 0.21669E-04 -0.69155E-04 4619 0.609E-02 0.174E-01 RMM: 5 -0.361500765137E+03 0.17859E-03 -0.14411E-04 3873 0.308E-02 0.851E-02 RMM: 6 -0.361500726712E+03 0.38424E-04 -0.46731E-05 3160 0.201E-02 0.448E-02 RMM: 7 -0.361500752826E+03 -0.26114E-04 -0.34658E-05 2775 0.167E-02 0.811E-02 RMM: 8 -0.361500713134E+03 0.39692E-04 -0.30215E-05 2646 0.169E-02 0.216E-02 RMM: 9 -0.361500713113E+03 0.21006E-07 -0.89117E-06 2438 0.853E-03 8820 T= 6569. E= 0.68497373E+03 F= 0.63062927E+03 E0= 0.66034794E+03 EK= 0.54344E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360920034429E+03 0.58068E+00 -0.17302E-01 7596 0.238E+01 0.175E-01 RMM: 2 -0.360929286222E+03 -0.92518E-02 -0.74950E-02 5066 0.638E-01 0.689E-01 RMM: 3 -0.360926073622E+03 0.32126E-02 -0.74204E-03 5790 0.165E-01 0.132E-01 RMM: 4 -0.360926014230E+03 0.59392E-04 -0.52938E-04 4595 0.553E-02 0.161E-01 RMM: 5 -0.360925844773E+03 0.16946E-03 -0.13749E-04 3869 0.318E-02 0.674E-02 RMM: 6 -0.360925831459E+03 0.13313E-04 -0.48878E-05 3216 0.203E-02 8821 T= 6203. E= 0.68262796E+03 F= 0.63131654E+03 E0= 0.66102344E+03 EK= 0.51311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360253393206E+03 0.67245E+00 -0.16232E-01 7620 0.232E+01 0.247E-01 RMM: 2 -0.360271833227E+03 -0.18440E-01 -0.71826E-02 5177 0.637E-01 0.138E+00 RMM: 3 -0.360258940282E+03 0.12893E-01 -0.86928E-03 5356 0.214E-01 0.241E-01 RMM: 4 -0.360258582830E+03 0.35745E-03 -0.94491E-04 4646 0.636E-02 0.102E-01 RMM: 5 -0.360258537296E+03 0.45535E-04 -0.15990E-04 3877 0.339E-02 0.986E-02 RMM: 6 -0.360258497623E+03 0.39672E-04 -0.71982E-05 3520 0.238E-02 0.690E-02 RMM: 7 -0.360258546042E+03 -0.48419E-04 -0.82150E-05 3726 0.251E-02 0.109E-01 RMM: 8 -0.360258472853E+03 0.73189E-04 -0.41432E-05 3106 0.194E-02 0.328E-02 RMM: 9 -0.360258471622E+03 0.12312E-05 -0.12953E-05 2479 0.102E-02 8822 T= 5904. E= 0.68093367E+03 F= 0.63209564E+03 E0= 0.66179214E+03 EK= 0.48838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359568186894E+03 0.69029E+00 -0.15195E-01 7728 0.228E+01 0.270E-01 RMM: 2 -0.359589781015E+03 -0.21594E-01 -0.66750E-02 5177 0.634E-01 0.158E+00 RMM: 3 -0.359572875737E+03 0.16905E-01 -0.89140E-03 5361 0.223E-01 0.220E-01 RMM: 4 -0.359572628076E+03 0.24766E-03 -0.11232E-03 4625 0.725E-02 0.140E-01 RMM: 5 -0.359572586478E+03 0.41598E-04 -0.19182E-04 3871 0.364E-02 0.132E-01 RMM: 6 -0.359572472500E+03 0.11398E-03 -0.73206E-05 3513 0.252E-02 0.319E-02 RMM: 7 -0.359572495779E+03 -0.23279E-04 -0.29935E-05 2723 0.164E-02 0.706E-02 RMM: 8 -0.359572465541E+03 0.30238E-04 -0.19515E-05 2533 0.148E-02 0.178E-02 RMM: 9 -0.359572464793E+03 0.74808E-06 -0.50444E-06 2436 0.636E-03 8823 T= 5765. E= 0.68058495E+03 F= 0.63289157E+03 E0= 0.66258098E+03 EK= 0.47693E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358909085614E+03 0.66338E+00 -0.15597E-01 7800 0.227E+01 0.198E-01 RMM: 2 -0.358921464458E+03 -0.12379E-01 -0.77072E-02 5002 0.665E-01 0.962E-01 RMM: 3 -0.358915307739E+03 0.61567E-02 -0.82099E-03 5537 0.187E-01 0.164E-01 RMM: 4 -0.358915147709E+03 0.16003E-03 -0.66869E-04 4627 0.582E-02 0.123E-01 RMM: 5 -0.358915059553E+03 0.88156E-04 -0.12695E-04 3865 0.298E-02 0.781E-02 RMM: 6 -0.358915033928E+03 0.25625E-04 -0.41946E-05 3087 0.188E-02 0.549E-02 RMM: 7 -0.358915052544E+03 -0.18616E-04 -0.45769E-05 3127 0.196E-02 8824 T= 5828. E= 0.68187048E+03 F= 0.63365546E+03 E0= 0.66334157E+03 EK= 0.48215E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358299759879E+03 0.61527E+00 -0.15601E-01 7824 0.231E+01 0.190E-01 RMM: 2 -0.358308205668E+03 -0.84458E-02 -0.60444E-02 5204 0.598E-01 0.766E-01 RMM: 3 -0.358304482679E+03 0.37230E-02 -0.59738E-03 5599 0.158E-01 0.143E-01 RMM: 4 -0.358304439402E+03 0.43277E-04 -0.57316E-04 4584 0.561E-02 0.163E-01 RMM: 5 -0.358304278211E+03 0.16119E-03 -0.13806E-04 3873 0.310E-02 0.688E-02 RMM: 6 -0.358304258900E+03 0.19311E-04 -0.31483E-05 2908 0.170E-02 8825 T= 6084. E= 0.68469693E+03 F= 0.63436777E+03 E0= 0.66405512E+03 EK= 0.50329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357724119963E+03 0.58016E+00 -0.17194E-01 8004 0.237E+01 0.311E-01 RMM: 2 -0.357747555604E+03 -0.23436E-01 -0.91763E-02 5004 0.746E-01 0.160E+00 RMM: 3 -0.357731088961E+03 0.16467E-01 -0.12575E-02 5355 0.266E-01 0.300E-01 RMM: 4 -0.357730534849E+03 0.55411E-03 -0.14432E-03 4702 0.789E-02 0.125E-01 RMM: 5 -0.357730515883E+03 0.18966E-04 -0.22755E-04 3897 0.376E-02 0.128E-01 RMM: 6 -0.357730409282E+03 0.10660E-03 -0.71541E-05 3466 0.244E-02 0.438E-02 RMM: 7 -0.357730412154E+03 -0.28720E-05 -0.25142E-05 2540 0.151E-02 8826 T= 6468. E= 0.68854341E+03 F= 0.63503736E+03 E0= 0.66472988E+03 EK= 0.53506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357162110141E+03 0.56830E+00 -0.17905E-01 7776 0.243E+01 0.277E-01 RMM: 2 -0.357180308359E+03 -0.18198E-01 -0.82423E-02 5199 0.708E-01 0.135E+00 RMM: 3 -0.357168401848E+03 0.11907E-01 -0.99483E-03 5379 0.231E-01 0.273E-01 RMM: 4 -0.357168031384E+03 0.37046E-03 -0.13375E-03 4666 0.806E-02 0.170E-01 RMM: 5 -0.357167915881E+03 0.11550E-03 -0.22554E-04 3879 0.393E-02 0.124E-01 RMM: 6 -0.357167813554E+03 0.10233E-03 -0.60239E-05 3356 0.233E-02 0.307E-02 RMM: 7 -0.357167812295E+03 0.12587E-05 -0.15513E-05 2504 0.114E-02 8827 T= 6856. E= 0.69240898E+03 F= 0.63569010E+03 E0= 0.66539121E+03 EK= 0.56719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356583958510E+03 0.58386E+00 -0.19368E-01 8256 0.248E+01 0.267E-01 RMM: 2 -0.356602366002E+03 -0.18407E-01 -0.10226E-01 5095 0.783E-01 0.127E+00 RMM: 3 -0.356591942789E+03 0.10423E-01 -0.11307E-02 5476 0.234E-01 0.208E-01 RMM: 4 -0.356591743743E+03 0.19905E-03 -0.10865E-03 4674 0.718E-02 0.172E-01 RMM: 5 -0.356591595616E+03 0.14813E-03 -0.20322E-04 3881 0.370E-02 0.111E-01 RMM: 6 -0.356591515237E+03 0.80379E-04 -0.66787E-05 3428 0.238E-02 0.410E-02 RMM: 7 -0.356591523297E+03 -0.80598E-05 -0.27967E-05 2581 0.154E-02 8828 T= 7093. E= 0.69502936E+03 F= 0.63635197E+03 E0= 0.66606366E+03 EK= 0.58677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355992224102E+03 0.59929E+00 -0.19518E-01 7908 0.249E+01 0.225E-01 RMM: 2 -0.356004758925E+03 -0.12535E-01 -0.90962E-02 5149 0.732E-01 0.897E-01 RMM: 3 -0.355999342815E+03 0.54161E-02 -0.92209E-03 5602 0.203E-01 0.167E-01 RMM: 4 -0.355999310574E+03 0.32241E-04 -0.79476E-04 4652 0.640E-02 0.191E-01 RMM: 5 -0.355999090413E+03 0.22016E-03 -0.16007E-04 3880 0.335E-02 0.821E-02 RMM: 6 -0.355999049876E+03 0.40537E-04 -0.35504E-05 2960 0.184E-02 0.349E-02 RMM: 7 -0.355999057322E+03 -0.74462E-05 -0.20580E-05 2525 0.136E-02 8829 T= 7068. E= 0.69550117E+03 F= 0.63702706E+03 E0= 0.66674935E+03 EK= 0.58474E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355415292831E+03 0.58376E+00 -0.19127E-01 8112 0.246E+01 0.182E-01 RMM: 2 -0.355426470561E+03 -0.11178E-01 -0.90055E-02 5047 0.703E-01 0.733E-01 RMM: 3 -0.355422513241E+03 0.39573E-02 -0.85295E-03 5671 0.193E-01 0.144E-01 RMM: 4 -0.355422459392E+03 0.53848E-04 -0.58351E-04 4657 0.563E-02 0.154E-01 RMM: 5 -0.355422327372E+03 0.13202E-03 -0.12051E-04 3826 0.298E-02 0.859E-02 RMM: 6 -0.355422283824E+03 0.43547E-04 -0.41362E-05 3060 0.194E-02 0.399E-02 RMM: 7 -0.355422295534E+03 -0.11709E-04 -0.44832E-05 2990 0.190E-02 8830 T= 6795. E= 0.69389395E+03 F= 0.63768508E+03 E0= 0.66741493E+03 EK= 0.56209E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354911894729E+03 0.51039E+00 -0.18443E-01 7824 0.239E+01 0.188E-01 RMM: 2 -0.354924617342E+03 -0.12723E-01 -0.94103E-02 5060 0.717E-01 0.847E-01 RMM: 3 -0.354919466197E+03 0.51511E-02 -0.93745E-03 5754 0.198E-01 0.161E-01 RMM: 4 -0.354919296337E+03 0.16986E-03 -0.58589E-04 4674 0.559E-02 0.119E-01 RMM: 5 -0.354919216970E+03 0.79367E-04 -0.10616E-04 3773 0.285E-02 0.790E-02 RMM: 6 -0.354919185775E+03 0.31195E-04 -0.42991E-05 3078 0.197E-02 0.463E-02 RMM: 7 -0.354919201058E+03 -0.15283E-04 -0.38844E-05 2854 0.183E-02 8831 T= 6397. E= 0.69119020E+03 F= 0.63826919E+03 E0= 0.66800248E+03 EK= 0.52921E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354544557350E+03 0.37463E+00 -0.17506E-01 7788 0.232E+01 0.155E-01 RMM: 2 -0.354554407046E+03 -0.98497E-02 -0.84738E-02 5223 0.662E-01 0.616E-01 RMM: 3 -0.354551249763E+03 0.31573E-02 -0.68512E-03 5744 0.169E-01 0.142E-01 RMM: 4 -0.354551134254E+03 0.11551E-03 -0.42244E-04 4496 0.474E-02 0.110E-01 RMM: 5 -0.354551047090E+03 0.87163E-04 -0.84554E-05 3702 0.267E-02 0.608E-02 RMM: 6 -0.354551049317E+03 -0.22266E-05 -0.36534E-05 2913 0.178E-02 8832 T= 6033. E= 0.68862771E+03 F= 0.63871846E+03 E0= 0.66844986E+03 EK= 0.49909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354357172192E+03 0.19387E+00 -0.16410E-01 7752 0.226E+01 0.241E-01 RMM: 2 -0.354373685322E+03 -0.16513E-01 -0.79361E-02 5209 0.659E-01 0.123E+00 RMM: 3 -0.354363291712E+03 0.10394E-01 -0.88272E-03 5362 0.216E-01 0.262E-01 RMM: 4 -0.354362833812E+03 0.45790E-03 -0.91613E-04 4673 0.636E-02 0.868E-02 RMM: 5 -0.354362804644E+03 0.29168E-04 -0.12826E-04 3887 0.300E-02 0.911E-02 RMM: 6 -0.354362761039E+03 0.43606E-04 -0.46803E-05 3108 0.205E-02 0.531E-02 RMM: 7 -0.354362800499E+03 -0.39461E-04 -0.50232E-05 3242 0.196E-02 0.969E-02 RMM: 8 -0.354362748309E+03 0.52190E-04 -0.38491E-05 2814 0.178E-02 0.401E-02 RMM: 9 -0.354362741782E+03 0.65269E-05 -0.15652E-05 2474 0.113E-02 8833 T= 5819. E= 0.68712813E+03 F= 0.63898748E+03 E0= 0.66871278E+03 EK= 0.48141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354368926125E+03 -0.61778E-02 -0.15913E-01 7584 0.224E+01 0.287E-01 RMM: 2 -0.354391939214E+03 -0.23013E-01 -0.76085E-02 5176 0.660E-01 0.161E+00 RMM: 3 -0.354374394797E+03 0.17544E-01 -0.99378E-03 5382 0.235E-01 0.272E-01 RMM: 4 -0.354373913861E+03 0.48094E-03 -0.12846E-03 4675 0.792E-02 0.117E-01 RMM: 5 -0.354373910876E+03 0.29850E-05 -0.18431E-04 3877 0.345E-02 8834 T= 5812. E= 0.68713780E+03 F= 0.63905552E+03 E0= 0.66877266E+03 EK= 0.48082E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354568093115E+03 -0.19418E+00 -0.15811E-01 7908 0.226E+01 0.181E-01 RMM: 2 -0.354577962840E+03 -0.98697E-02 -0.70028E-02 5454 0.591E-01 0.790E-01 RMM: 3 -0.354573466402E+03 0.44964E-02 -0.53296E-03 5472 0.157E-01 0.170E-01 RMM: 4 -0.354573315028E+03 0.15137E-03 -0.50013E-04 4601 0.473E-02 0.107E-01 RMM: 5 -0.354573213670E+03 0.10136E-03 -0.93379E-05 3886 0.227E-02 0.705E-02 RMM: 6 -0.354573218844E+03 -0.51734E-05 -0.60823E-05 3390 0.212E-02 8835 T= 6012. E= 0.68867146E+03 F= 0.63893272E+03 E0= 0.66863818E+03 EK= 0.49739E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354919499531E+03 -0.34629E+00 -0.16286E-01 7704 0.231E+01 0.303E-01 RMM: 2 -0.354942074765E+03 -0.22575E-01 -0.72469E-02 5242 0.645E-01 0.162E+00 RMM: 3 -0.354924486900E+03 0.17588E-01 -0.10344E-02 5351 0.245E-01 0.286E-01 RMM: 4 -0.354923997638E+03 0.48926E-03 -0.13539E-03 4652 0.790E-02 0.133E-01 RMM: 5 -0.354923968255E+03 0.29383E-04 -0.19638E-04 3887 0.334E-02 0.127E-01 RMM: 6 -0.354923866960E+03 0.10129E-03 -0.58885E-05 3333 0.229E-02 0.353E-02 RMM: 7 -0.354923868365E+03 -0.14050E-05 -0.16977E-05 2505 0.125E-02 8836 T= 6366. E= 0.69131843E+03 F= 0.63865499E+03 E0= 0.66834973E+03 EK= 0.52663E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355367188881E+03 -0.44332E+00 -0.17569E-01 7884 0.238E+01 0.322E-01 RMM: 2 -0.355392702115E+03 -0.25513E-01 -0.93523E-02 5253 0.733E-01 0.167E+00 RMM: 3 -0.355374326519E+03 0.18376E-01 -0.12275E-02 5363 0.259E-01 0.361E-01 RMM: 4 -0.355373437599E+03 0.88892E-03 -0.16880E-03 4701 0.895E-02 0.108E-01 RMM: 5 -0.355373392380E+03 0.45219E-04 -0.21546E-04 3898 0.347E-02 0.116E-01 RMM: 6 -0.355373306009E+03 0.86371E-04 -0.50479E-05 3203 0.210E-02 0.407E-02 RMM: 7 -0.355373304209E+03 0.18001E-05 -0.24520E-05 2534 0.145E-02 8837 T= 6760. E= 0.69419918E+03 F= 0.63827471E+03 E0= 0.66796063E+03 EK= 0.55924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355858904453E+03 -0.48560E+00 -0.19026E-01 8016 0.243E+01 0.263E-01 RMM: 2 -0.355877838375E+03 -0.18934E-01 -0.98868E-02 5186 0.746E-01 0.131E+00 RMM: 3 -0.355866563461E+03 0.11275E-01 -0.10745E-02 5411 0.229E-01 0.213E-01 RMM: 4 -0.355866331001E+03 0.23246E-03 -0.10805E-03 4667 0.687E-02 0.141E-01 RMM: 5 -0.355866247595E+03 0.83407E-04 -0.17925E-04 3883 0.332E-02 0.108E-01 RMM: 6 -0.355866172822E+03 0.74773E-04 -0.56076E-05 3284 0.217E-02 0.373E-02 RMM: 7 -0.355866179398E+03 -0.65759E-05 -0.24197E-05 2544 0.148E-02 8838 T= 7042. E= 0.69610319E+03 F= 0.63784776E+03 E0= 0.66752869E+03 EK= 0.58255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356360216705E+03 -0.49404E+00 -0.19136E-01 7992 0.245E+01 0.223E-01 RMM: 2 -0.356374114133E+03 -0.13897E-01 -0.10063E-01 5165 0.745E-01 0.936E-01 RMM: 3 -0.356368325868E+03 0.57883E-02 -0.10033E-02 5630 0.203E-01 0.181E-01 RMM: 4 -0.356368208438E+03 0.11743E-03 -0.83401E-04 4640 0.644E-02 0.177E-01 RMM: 5 -0.356368011671E+03 0.19677E-03 -0.16672E-04 3876 0.320E-02 0.878E-02 RMM: 6 -0.356367965864E+03 0.45807E-04 -0.41334E-05 3098 0.188E-02 0.383E-02 RMM: 7 -0.356367964975E+03 0.88902E-06 -0.28444E-05 2549 0.157E-02 8839 T= 7085. E= 0.69602403E+03 F= 0.63740966E+03 E0= 0.66708992E+03 EK= 0.58614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356871491866E+03 -0.50353E+00 -0.19232E-01 7884 0.243E+01 0.191E-01 RMM: 2 -0.356884537791E+03 -0.13046E-01 -0.10405E-01 5081 0.752E-01 0.803E-01 RMM: 3 -0.356880130371E+03 0.44074E-02 -0.10163E-02 5816 0.193E-01 0.135E-01 RMM: 4 -0.356880013509E+03 0.11686E-03 -0.62043E-04 4662 0.574E-02 0.152E-01 RMM: 5 -0.356879872162E+03 0.14135E-03 -0.12063E-04 3776 0.275E-02 0.787E-02 RMM: 6 -0.356879838191E+03 0.33971E-04 -0.37610E-05 3017 0.181E-02 0.409E-02 RMM: 7 -0.356879845620E+03 -0.74290E-05 -0.39020E-05 2712 0.185E-02 8840 T= 6872. E= 0.69381018E+03 F= 0.63696035E+03 E0= 0.66664407E+03 EK= 0.56850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357426496873E+03 -0.54666E+00 -0.18063E-01 7932 0.237E+01 0.195E-01 RMM: 2 -0.357438658464E+03 -0.12162E-01 -0.93113E-02 5125 0.721E-01 0.821E-01 RMM: 3 -0.357434142764E+03 0.45157E-02 -0.93854E-03 5784 0.188E-01 0.155E-01 RMM: 4 -0.357433974751E+03 0.16801E-03 -0.62540E-04 4641 0.573E-02 0.136E-01 RMM: 5 -0.357433860860E+03 0.11389E-03 -0.11106E-04 3754 0.262E-02 0.739E-02 RMM: 6 -0.357433833619E+03 0.27241E-04 -0.30834E-05 2849 0.169E-02 0.386E-02 RMM: 7 -0.357433847185E+03 -0.13566E-04 -0.28972E-05 2572 0.156E-02 8841 T= 6504. E= 0.69027208E+03 F= 0.63646864E+03 E0= 0.66616087E+03 EK= 0.53803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358065219767E+03 -0.63139E+00 -0.16904E-01 7968 0.231E+01 0.154E-01 RMM: 2 -0.358074764082E+03 -0.95443E-02 -0.82330E-02 5118 0.665E-01 0.611E-01 RMM: 3 -0.358072146634E+03 0.26174E-02 -0.76584E-03 5851 0.163E-01 0.127E-01 RMM: 4 -0.358072015995E+03 0.13064E-03 -0.42921E-04 4366 0.498E-02 0.116E-01 RMM: 5 -0.358071930140E+03 0.85854E-04 -0.82600E-05 3533 0.248E-02 0.662E-02 RMM: 6 -0.358071912642E+03 0.17498E-04 -0.30851E-05 2831 0.167E-02 8842 T= 6132. E= 0.68662110E+03 F= 0.63589284E+03 E0= 0.66559736E+03 EK= 0.50728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358817265302E+03 -0.74534E+00 -0.16173E-01 7920 0.225E+01 0.239E-01 RMM: 2 -0.358833056251E+03 -0.15791E-01 -0.77347E-02 5104 0.654E-01 0.121E+00 RMM: 3 -0.358823360243E+03 0.96960E-02 -0.92613E-03 5389 0.217E-01 0.231E-01 RMM: 4 -0.358823007725E+03 0.35252E-03 -0.89760E-04 4666 0.613E-02 0.805E-02 RMM: 5 -0.358822994395E+03 0.13330E-04 -0.12687E-04 3877 0.288E-02 8843 T= 5880. E= 0.68384985E+03 F= 0.63520359E+03 E0= 0.66492281E+03 EK= 0.48646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359684122597E+03 -0.86111E+00 -0.15466E-01 7980 0.223E+01 0.232E-01 RMM: 2 -0.359700668762E+03 -0.16546E-01 -0.66246E-02 5247 0.588E-01 0.129E+00 RMM: 3 -0.359689371847E+03 0.11297E-01 -0.74209E-03 5381 0.196E-01 0.232E-01 RMM: 4 -0.359689028871E+03 0.34298E-03 -0.86727E-04 4632 0.621E-02 0.100E-01 RMM: 5 -0.359688998400E+03 0.30471E-04 -0.12341E-04 3876 0.265E-02 0.993E-02 RMM: 6 -0.359688942024E+03 0.56377E-04 -0.46536E-05 3105 0.204E-02 0.530E-02 RMM: 7 -0.359688988737E+03 -0.46713E-04 -0.67646E-05 3538 0.208E-02 0.104E-01 RMM: 8 -0.359688930775E+03 0.57961E-04 -0.68541E-05 3769 0.216E-02 0.428E-02 RMM: 9 -0.359688920204E+03 0.10572E-04 -0.12928E-05 2487 0.106E-02 8844 T= 5813. E= 0.68249099E+03 F= 0.63439813E+03 E0= 0.66413459E+03 EK= 0.48093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360634664466E+03 -0.94573E+00 -0.16106E-01 7788 0.225E+01 0.230E-01 RMM: 2 -0.360647481326E+03 -0.12817E-01 -0.79710E-02 4999 0.662E-01 0.999E-01 RMM: 3 -0.360640843838E+03 0.66375E-02 -0.86009E-03 5541 0.191E-01 0.190E-01 RMM: 4 -0.360640760223E+03 0.83615E-04 -0.91897E-04 4627 0.694E-02 0.182E-01 RMM: 5 -0.360640575334E+03 0.18489E-03 -0.16804E-04 3846 0.320E-02 0.884E-02 RMM: 6 -0.360640526995E+03 0.48338E-04 -0.37749E-05 3027 0.188E-02 0.232E-02 RMM: 7 -0.360640534657E+03 -0.76613E-05 -0.16050E-05 2498 0.119E-02 8845 T= 5941. E= 0.68264943E+03 F= 0.63350453E+03 E0= 0.66325998E+03 EK= 0.49145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361610766195E+03 -0.97024E+00 -0.16358E-01 8280 0.230E+01 0.181E-01 RMM: 2 -0.361620168412E+03 -0.94022E-02 -0.69010E-02 5263 0.604E-01 0.747E-01 RMM: 3 -0.361616263767E+03 0.39046E-02 -0.60976E-03 5548 0.162E-01 0.177E-01 RMM: 4 -0.361616109937E+03 0.15383E-03 -0.59579E-04 4583 0.548E-02 0.121E-01 RMM: 5 -0.361616004467E+03 0.10547E-03 -0.10382E-04 3795 0.257E-02 0.601E-02 RMM: 6 -0.361615987999E+03 0.16468E-04 -0.21567E-05 2559 0.141E-02 8846 T= 6221. E= 0.68404979E+03 F= 0.63258376E+03 E0= 0.66235936E+03 EK= 0.51466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362526319822E+03 -0.91032E+00 -0.17350E-01 8184 0.237E+01 0.250E-01 RMM: 2 -0.362541892130E+03 -0.15572E-01 -0.80921E-02 5207 0.656E-01 0.118E+00 RMM: 3 -0.362532526662E+03 0.93655E-02 -0.91583E-03 5388 0.216E-01 0.208E-01 RMM: 4 -0.362532328806E+03 0.19786E-03 -0.95345E-04 4649 0.636E-02 0.136E-01 RMM: 5 -0.362532223109E+03 0.10570E-03 -0.14349E-04 3879 0.306E-02 0.902E-02 RMM: 6 -0.362532178899E+03 0.44210E-04 -0.40420E-05 3045 0.190E-02 0.472E-02 RMM: 7 -0.362532195168E+03 -0.16269E-04 -0.36567E-05 2816 0.174E-02 8847 T= 6564. E= 0.68602388E+03 F= 0.63171852E+03 E0= 0.66151519E+03 EK= 0.54305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363289541990E+03 -0.75736E+00 -0.18204E-01 8400 0.244E+01 0.249E-01 RMM: 2 -0.363304566958E+03 -0.15025E-01 -0.86641E-02 5266 0.679E-01 0.112E+00 RMM: 3 -0.363296221276E+03 0.83457E-02 -0.88604E-03 5423 0.208E-01 0.252E-01 RMM: 4 -0.363295909719E+03 0.31156E-03 -0.11159E-03 4630 0.741E-02 0.160E-01 RMM: 5 -0.363295784262E+03 0.12546E-03 -0.20329E-04 3886 0.378E-02 0.968E-02 RMM: 6 -0.363295724920E+03 0.59342E-04 -0.42334E-05 3099 0.198E-02 0.297E-02 RMM: 7 -0.363295726496E+03 -0.15765E-05 -0.14712E-05 2494 0.114E-02 8848 T= 6842. E= 0.68760292E+03 F= 0.63100237E+03 E0= 0.66081846E+03 EK= 0.56601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363819927767E+03 -0.52420E+00 -0.19851E-01 8364 0.247E+01 0.201E-01 RMM: 2 -0.363835185499E+03 -0.15258E-01 -0.10524E-01 5149 0.729E-01 0.963E-01 RMM: 3 -0.363828383840E+03 0.68017E-02 -0.96693E-03 5541 0.207E-01 0.174E-01 RMM: 4 -0.363828227334E+03 0.15651E-03 -0.77269E-04 4736 0.595E-02 0.134E-01 RMM: 5 -0.363828103225E+03 0.12411E-03 -0.12542E-04 3872 0.292E-02 0.760E-02 RMM: 6 -0.363828073478E+03 0.29747E-04 -0.36233E-05 2937 0.177E-02 0.508E-02 RMM: 7 -0.363828077654E+03 -0.41760E-05 -0.57179E-05 3219 0.191E-02 8849 T= 6934. E= 0.68787886E+03 F= 0.63051431E+03 E0= 0.66034903E+03 EK= 0.57365E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364087921826E+03 -0.25985E+00 -0.20181E-01 8460 0.247E+01 0.180E-01 RMM: 2 -0.364099419105E+03 -0.11497E-01 -0.94294E-02 5217 0.674E-01 0.720E-01 RMM: 3 -0.364095163784E+03 0.42553E-02 -0.76895E-03 5740 0.184E-01 0.143E-01 RMM: 4 -0.364095116352E+03 0.47432E-04 -0.58028E-04 4669 0.547E-02 0.154E-01 RMM: 5 -0.364094967765E+03 0.14859E-03 -0.10833E-04 3735 0.283E-02 0.581E-02 RMM: 6 -0.364094951013E+03 0.16752E-04 -0.21294E-05 2569 0.143E-02 8850 T= 6799. E= 0.68653294E+03 F= 0.63028922E+03 E0= 0.66014007E+03 EK= 0.56244E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364113399229E+03 -0.18431E-01 -0.19957E-01 8460 0.242E+01 0.184E-01 RMM: 2 -0.364129031735E+03 -0.15633E-01 -0.10382E-01 5322 0.684E-01 0.974E-01 RMM: 3 -0.364121496266E+03 0.75355E-02 -0.81754E-03 5421 0.200E-01 0.186E-01 RMM: 4 -0.364121285463E+03 0.21080E-03 -0.69526E-04 4766 0.547E-02 0.944E-02 RMM: 5 -0.364121214624E+03 0.70838E-04 -0.79843E-05 3613 0.237E-02 0.689E-02 RMM: 6 -0.364121200908E+03 0.13716E-04 -0.30407E-05 2676 0.165E-02 8851 T= 6498. E= 0.68405857E+03 F= 0.63030263E+03 E0= 0.66016714E+03 EK= 0.53756E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363977188984E+03 0.14403E+00 -0.19002E-01 8676 0.236E+01 0.384E-01 RMM: 2 -0.364023246440E+03 -0.46057E-01 -0.11271E-01 5181 0.789E-01 0.238E+00 RMM: 3 -0.363985264684E+03 0.37982E-01 -0.17762E-02 5368 0.327E-01 0.369E-01 RMM: 4 -0.363984311499E+03 0.95319E-03 -0.20108E-03 4962 0.917E-02 0.952E-02 RMM: 5 -0.363984280738E+03 0.30761E-04 -0.20140E-04 3957 0.323E-02 0.104E-01 RMM: 6 -0.363984226251E+03 0.54488E-04 -0.49474E-05 3123 0.212E-02 0.569E-02 RMM: 7 -0.363984272088E+03 -0.45837E-04 -0.49027E-05 3203 0.192E-02 0.105E-01 RMM: 8 -0.363984208360E+03 0.63728E-04 -0.64224E-05 3510 0.207E-02 0.371E-02 RMM: 9 -0.363984208004E+03 0.35603E-06 -0.21015E-05 2566 0.130E-02 8852 T= 6159. E= 0.68143072E+03 F= 0.63047724E+03 E0= 0.66035235E+03 EK= 0.50953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363785459174E+03 0.19875E+00 -0.18336E-01 8676 0.230E+01 0.340E-01 RMM: 2 -0.363820112229E+03 -0.34653E-01 -0.12125E-01 5170 0.794E-01 0.195E+00 RMM: 3 -0.363794703037E+03 0.25409E-01 -0.14907E-02 5372 0.292E-01 0.393E-01 RMM: 4 -0.363793689792E+03 0.10132E-02 -0.21148E-03 5001 0.999E-02 0.133E-01 RMM: 5 -0.363793671175E+03 0.18617E-04 -0.28737E-04 3913 0.426E-02 0.137E-01 RMM: 6 -0.363793548585E+03 0.12259E-03 -0.72874E-05 3531 0.247E-02 0.445E-02 RMM: 7 -0.363793553227E+03 -0.46418E-05 -0.26057E-05 2583 0.149E-02 8853 T= 5907. E= 0.67957229E+03 F= 0.63070312E+03 E0= 0.66058654E+03 EK= 0.48869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363647517747E+03 0.14603E+00 -0.17049E-01 9000 0.226E+01 0.215E-01 RMM: 2 -0.363664859614E+03 -0.17342E-01 -0.10229E-01 5329 0.716E-01 0.114E+00 RMM: 3 -0.363655701880E+03 0.91577E-02 -0.89227E-03 5492 0.202E-01 0.225E-01 RMM: 4 -0.363655357296E+03 0.34458E-03 -0.76870E-04 4750 0.575E-02 0.909E-02 RMM: 5 -0.363655317798E+03 0.39498E-04 -0.97471E-05 3840 0.259E-02 0.871E-02 RMM: 6 -0.363655294013E+03 0.23785E-04 -0.32639E-05 2697 0.171E-02 0.695E-02 RMM: 7 -0.363655333974E+03 -0.39961E-04 -0.67435E-05 3522 0.209E-02 0.113E-01 RMM: 8 -0.363655258761E+03 0.75214E-04 -0.75912E-05 3767 0.227E-02 0.347E-02 RMM: 9 -0.363655264699E+03 -0.59381E-05 -0.23324E-05 2590 0.137E-02 8854 T= 5824. E= 0.67905059E+03 F= 0.63087374E+03 E0= 0.66076137E+03 EK= 0.48177E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363630586167E+03 0.24673E-01 -0.16747E-01 8412 0.225E+01 0.238E-01 RMM: 2 -0.363646729837E+03 -0.16144E-01 -0.10901E-01 5134 0.737E-01 0.102E+00 RMM: 3 -0.363639192988E+03 0.75368E-02 -0.10515E-02 5580 0.212E-01 0.233E-01 RMM: 4 -0.363638830765E+03 0.36222E-03 -0.98084E-04 4687 0.690E-02 0.129E-01 RMM: 5 -0.363638789418E+03 0.41347E-04 -0.17150E-04 3883 0.327E-02 0.118E-01 RMM: 6 -0.363638701352E+03 0.88067E-04 -0.55561E-05 3287 0.223E-02 0.298E-02 RMM: 7 -0.363638706682E+03 -0.53298E-05 -0.15308E-05 2504 0.117E-02 8855 T= 5937. E= 0.68003237E+03 F= 0.63091920E+03 E0= 0.66080787E+03 EK= 0.49113E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363736936511E+03 -0.98235E-01 -0.17591E-01 8376 0.228E+01 0.185E-01 RMM: 2 -0.363750678214E+03 -0.13742E-01 -0.10032E-01 5229 0.682E-01 0.877E-01 RMM: 3 -0.363744897631E+03 0.57806E-02 -0.85270E-03 5694 0.185E-01 0.170E-01 RMM: 4 -0.363744647061E+03 0.25057E-03 -0.60148E-04 4738 0.518E-02 0.813E-02 RMM: 5 -0.363744611047E+03 0.36014E-04 -0.72257E-05 3624 0.209E-02 0.705E-02 RMM: 6 -0.363744596852E+03 0.14196E-04 -0.24513E-05 2552 0.151E-02 8856 T= 6220. E= 0.68229425E+03 F= 0.63083850E+03 E0= 0.66072325E+03 EK= 0.51456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363883331526E+03 -0.13872E+00 -0.19707E-01 8952 0.234E+01 0.298E-01 RMM: 2 -0.363908790356E+03 -0.25459E-01 -0.11115E-01 5230 0.724E-01 0.158E+00 RMM: 3 -0.363892007836E+03 0.16783E-01 -0.12358E-02 5363 0.258E-01 0.307E-01 RMM: 4 -0.363891409026E+03 0.59881E-03 -0.13475E-03 4735 0.733E-02 0.106E-01 RMM: 5 -0.363891368929E+03 0.40097E-04 -0.16179E-04 3919 0.312E-02 0.993E-02 RMM: 6 -0.363891321281E+03 0.47648E-04 -0.41628E-05 3044 0.193E-02 0.591E-02 RMM: 7 -0.363891356452E+03 -0.35171E-04 -0.55538E-05 3344 0.206E-02 0.962E-02 RMM: 8 -0.363891307087E+03 0.49365E-04 -0.59809E-05 3275 0.188E-02 0.428E-02 RMM: 9 -0.363891303018E+03 0.40691E-05 -0.23295E-05 2559 0.142E-02 8857 T= 6584. E= 0.68518367E+03 F= 0.63071332E+03 E0= 0.66058915E+03 EK= 0.54470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363924843658E+03 -0.33537E-01 -0.22789E-01 9156 0.240E+01 0.333E-01 RMM: 2 -0.363957479450E+03 -0.32636E-01 -0.13841E-01 5282 0.811E-01 0.182E+00 RMM: 3 -0.363935331872E+03 0.22148E-01 -0.13910E-02 5384 0.273E-01 0.311E-01 RMM: 4 -0.363934797822E+03 0.53405E-03 -0.18768E-03 4788 0.939E-02 0.180E-01 RMM: 5 -0.363934722181E+03 0.75641E-04 -0.29947E-04 3916 0.438E-02 0.158E-01 RMM: 6 -0.363934564613E+03 0.15757E-03 -0.95835E-05 3760 0.280E-02 0.452E-02 RMM: 7 -0.363934578429E+03 -0.13816E-04 -0.34678E-05 2922 0.168E-02 8858 T= 6888. E= 0.68767271E+03 F= 0.63068819E+03 E0= 0.66054951E+03 EK= 0.56985E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363710767989E+03 0.22380E+00 -0.25776E-01 9132 0.245E+01 0.225E-01 RMM: 2 -0.363730955651E+03 -0.20188E-01 -0.14827E-01 5526 0.799E-01 0.103E+00 RMM: 3 -0.363723097300E+03 0.78584E-02 -0.97653E-03 5430 0.211E-01 0.230E-01 RMM: 4 -0.363722819798E+03 0.27750E-03 -0.94746E-04 4734 0.642E-02 0.134E-01 RMM: 5 -0.363722716190E+03 0.10361E-03 -0.13960E-04 3893 0.298E-02 0.940E-02 RMM: 6 -0.363722693507E+03 0.22683E-04 -0.36527E-05 2905 0.178E-02 0.780E-02 RMM: 7 -0.363722717518E+03 -0.24011E-04 -0.98273E-05 3850 0.249E-02 0.104E-01 RMM: 8 -0.363722655081E+03 0.62438E-04 -0.70888E-05 3549 0.215E-02 0.383E-02 RMM: 9 -0.363722673719E+03 -0.18638E-04 -0.33156E-05 2895 0.164E-02 8859 T= 6990. E= 0.68873838E+03 F= 0.63091526E+03 E0= 0.66075776E+03 EK= 0.57823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363148661206E+03 0.57399E+00 -0.26965E-01 9084 0.245E+01 0.233E-01 RMM: 2 -0.363167770218E+03 -0.19109E-01 -0.15087E-01 5568 0.789E-01 0.950E-01 RMM: 3 -0.363160740185E+03 0.70300E-02 -0.93356E-03 5702 0.195E-01 0.155E-01 RMM: 4 -0.363160771675E+03 -0.31490E-04 -0.89600E-04 4674 0.668E-02 0.218E-01 RMM: 5 -0.363160468510E+03 0.30317E-03 -0.19937E-04 3885 0.359E-02 0.762E-02 RMM: 6 -0.363160442482E+03 0.26027E-04 -0.35506E-05 2907 0.177E-02 0.500E-02 RMM: 7 -0.363160445001E+03 -0.25183E-05 -0.27633E-05 2578 0.151E-02 8860 T= 6831. E= 0.68799916E+03 F= 0.63149000E+03 E0= 0.66131003E+03 EK= 0.56509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362242716838E+03 0.91773E+00 -0.27704E-01 9060 0.241E+01 0.168E-01 RMM: 2 -0.362258254465E+03 -0.15538E-01 -0.13730E-01 6019 0.721E-01 0.666E-01 RMM: 3 -0.362254177426E+03 0.40770E-02 -0.58319E-03 5545 0.161E-01 0.162E-01 RMM: 4 -0.362254041940E+03 0.13549E-03 -0.51273E-04 4450 0.451E-02 0.110E-01 RMM: 5 -0.362253984091E+03 0.57849E-04 -0.68182E-05 3417 0.218E-02 0.805E-02 RMM: 6 -0.362253991751E+03 -0.76592E-05 -0.40546E-05 2994 0.182E-02 8861 T= 6480. E= 0.68601687E+03 F= 0.63240644E+03 E0= 0.66220417E+03 EK= 0.53610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361092124476E+03 0.11619E+01 -0.29198E-01 8940 0.235E+01 0.355E-01 RMM: 2 -0.361134934231E+03 -0.42810E-01 -0.14773E-01 5526 0.780E-01 0.212E+00 RMM: 3 -0.361103679346E+03 0.31255E-01 -0.15627E-02 5339 0.292E-01 0.382E-01 RMM: 4 -0.361102713208E+03 0.96614E-03 -0.19777E-03 4779 0.901E-02 0.120E-01 RMM: 5 -0.361102683776E+03 0.29432E-04 -0.24134E-04 3918 0.360E-02 0.118E-01 RMM: 6 -0.361102611007E+03 0.72769E-04 -0.55107E-05 3229 0.216E-02 0.648E-02 RMM: 7 -0.361102621873E+03 -0.10866E-04 -0.40449E-05 3000 0.185E-02 8862 T= 6087. E= 0.68391934E+03 F= 0.63356519E+03 E0= 0.66334288E+03 EK= 0.50354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359862491306E+03 0.12401E+01 -0.29838E-01 8952 0.229E+01 0.387E-01 RMM: 2 -0.359909462916E+03 -0.46972E-01 -0.15395E-01 5519 0.838E-01 0.227E+00 RMM: 3 -0.359874554348E+03 0.34909E-01 -0.17376E-02 5350 0.312E-01 0.444E-01 RMM: 4 -0.359873223074E+03 0.13313E-02 -0.24300E-03 4970 0.104E-01 0.141E-01 RMM: 5 -0.359873212065E+03 0.11010E-04 -0.33066E-04 3930 0.432E-02 0.149E-01 RMM: 6 -0.359873084059E+03 0.12801E-03 -0.96079E-05 3769 0.270E-02 0.689E-02 RMM: 7 -0.359873117768E+03 -0.33709E-04 -0.57560E-05 3321 0.199E-02 0.101E-01 RMM: 8 -0.359873079781E+03 0.37987E-04 -0.10201E-04 3881 0.273E-02 0.519E-02 RMM: 9 -0.359873074093E+03 0.56884E-05 -0.27021E-05 2687 0.147E-02 8863 T= 5797. E= 0.68275856E+03 F= 0.63479937E+03 E0= 0.66456130E+03 EK= 0.47959E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358750118368E+03 0.11230E+01 -0.28126E-01 9024 0.225E+01 0.282E-01 RMM: 2 -0.358779172284E+03 -0.29054E-01 -0.15273E-01 5399 0.855E-01 0.152E+00 RMM: 3 -0.358762575228E+03 0.16597E-01 -0.13494E-02 5377 0.255E-01 0.268E-01 RMM: 4 -0.358762233799E+03 0.34143E-03 -0.15794E-03 4763 0.837E-02 0.179E-01 RMM: 5 -0.358762051726E+03 0.18207E-03 -0.25301E-04 3906 0.389E-02 0.110E-01 RMM: 6 -0.358761982558E+03 0.69168E-04 -0.63875E-05 3387 0.232E-02 0.588E-02 RMM: 7 -0.358761986311E+03 -0.37529E-05 -0.28890E-05 2616 0.157E-02 8864 T= 5712. E= 0.68316710E+03 F= 0.63591220E+03 E0= 0.66566618E+03 EK= 0.47255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357934297927E+03 0.82768E+00 -0.21337E-01 9072 0.225E+01 0.277E-01 RMM: 2 -0.357957613347E+03 -0.23315E-01 -0.11135E-01 5621 0.739E-01 0.142E+00 RMM: 3 -0.357943337285E+03 0.14276E-01 -0.10726E-02 5358 0.235E-01 0.294E-01 RMM: 4 -0.357942747909E+03 0.58938E-03 -0.12021E-03 4711 0.694E-02 0.102E-01 RMM: 5 -0.357942708718E+03 0.39191E-04 -0.13737E-04 4049 0.271E-02 0.958E-02 RMM: 6 -0.357942675511E+03 0.33206E-04 -0.26272E-05 2592 0.154E-02 0.742E-02 RMM: 7 -0.357942714906E+03 -0.39394E-04 -0.72951E-05 3524 0.225E-02 0.113E-01 RMM: 8 -0.357942652890E+03 0.62016E-04 -0.10416E-04 3896 0.232E-02 0.549E-02 RMM: 9 -0.357942638313E+03 0.14576E-04 -0.25433E-05 2660 0.143E-02 8865 T= 5875. E= 0.68533218E+03 F= 0.63673050E+03 E0= 0.66648369E+03 EK= 0.48602E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357496930034E+03 0.44572E+00 -0.17831E-01 8496 0.231E+01 0.214E-01 RMM: 2 -0.357512507494E+03 -0.15577E-01 -0.88991E-02 5480 0.648E-01 0.109E+00 RMM: 3 -0.357504097361E+03 0.84101E-02 -0.77929E-03 5385 0.195E-01 0.192E-01 RMM: 4 -0.357504024189E+03 0.73173E-04 -0.93939E-04 4640 0.663E-02 0.169E-01 RMM: 5 -0.357503851267E+03 0.17292E-03 -0.15819E-04 3887 0.309E-02 0.905E-02 RMM: 6 -0.357503798026E+03 0.53240E-04 -0.39224E-05 3056 0.192E-02 0.349E-02 RMM: 7 -0.357503800044E+03 -0.20172E-05 -0.17670E-05 2515 0.125E-02 8866 T= 6264. E= 0.68898883E+03 F= 0.63716573E+03 E0= 0.66692941E+03 EK= 0.51823E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357400553440E+03 0.10324E+00 -0.16745E-01 8436 0.240E+01 0.220E-01 RMM: 2 -0.357415300972E+03 -0.14748E-01 -0.68072E-02 5300 0.615E-01 0.119E+00 RMM: 3 -0.357405716447E+03 0.95845E-02 -0.70398E-03 5391 0.189E-01 0.227E-01 RMM: 4 -0.357405375746E+03 0.34070E-03 -0.78714E-04 4614 0.602E-02 0.927E-02 RMM: 5 -0.357405331834E+03 0.43912E-04 -0.11461E-04 3862 0.278E-02 0.848E-02 RMM: 6 -0.357405293316E+03 0.38518E-04 -0.27533E-05 2621 0.162E-02 0.466E-02 RMM: 7 -0.357405294584E+03 -0.12682E-05 -0.26819E-05 2599 0.151E-02 8867 T= 6772. E= 0.69327698E+03 F= 0.63725844E+03 E0= 0.66704447E+03 EK= 0.56019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357486651516E+03 -0.81358E-01 -0.17705E-01 8196 0.250E+01 0.206E-01 RMM: 2 -0.357499139832E+03 -0.12488E-01 -0.80350E-02 5328 0.672E-01 0.954E-01 RMM: 3 -0.357493075962E+03 0.60639E-02 -0.73490E-03 5542 0.180E-01 0.192E-01 RMM: 4 -0.357492890690E+03 0.18527E-03 -0.72167E-04 4613 0.603E-02 0.142E-01 RMM: 5 -0.357492739312E+03 0.15138E-03 -0.14065E-04 3868 0.318E-02 0.697E-02 RMM: 6 -0.357492719601E+03 0.19711E-04 -0.30310E-05 2726 0.167E-02 8868 T= 7196. E= 0.69669725E+03 F= 0.63716331E+03 E0= 0.66698494E+03 EK= 0.59534E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357576925891E+03 -0.84187E-01 -0.19694E-01 8520 0.255E+01 0.274E-01 RMM: 2 -0.357599846665E+03 -0.22921E-01 -0.11310E-01 5362 0.777E-01 0.144E+00 RMM: 3 -0.357585863451E+03 0.13983E-01 -0.11598E-02 5400 0.239E-01 0.254E-01 RMM: 4 -0.357585491673E+03 0.37178E-03 -0.11655E-03 4720 0.691E-02 0.143E-01 RMM: 5 -0.357585343519E+03 0.14815E-03 -0.15805E-04 3894 0.345E-02 0.944E-02 RMM: 6 -0.357585316051E+03 0.27468E-04 -0.38000E-05 2829 0.182E-02 0.833E-02 RMM: 7 -0.357585298832E+03 0.17220E-04 -0.59358E-05 3371 0.211E-02 8869 T= 7327. E= 0.69767654E+03 F= 0.63706120E+03 E0= 0.66693131E+03 EK= 0.60615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357571785751E+03 0.13530E-01 -0.20278E-01 8496 0.254E+01 0.307E-01 RMM: 2 -0.357597817482E+03 -0.26032E-01 -0.12198E-01 5324 0.794E-01 0.158E+00 RMM: 3 -0.357581320680E+03 0.16497E-01 -0.13098E-02 5452 0.253E-01 0.353E-01 RMM: 4 -0.357580503451E+03 0.81723E-03 -0.15467E-03 4672 0.849E-02 0.125E-01 RMM: 5 -0.357580409193E+03 0.94258E-04 -0.20681E-04 3897 0.369E-02 0.101E-01 RMM: 6 -0.357580366366E+03 0.42828E-04 -0.42321E-05 3000 0.199E-02 0.659E-02 RMM: 7 -0.357580375299E+03 -0.89331E-05 -0.38576E-05 2865 0.178E-02 8870 T= 7086. E= 0.69567748E+03 F= 0.63705457E+03 E0= 0.66698377E+03 EK= 0.58623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357483072009E+03 0.97294E-01 -0.19212E-01 8376 0.247E+01 0.203E-01 RMM: 2 -0.357499294340E+03 -0.16222E-01 -0.10241E-01 5482 0.678E-01 0.107E+00 RMM: 3 -0.357491032063E+03 0.82623E-02 -0.81833E-03 5519 0.190E-01 0.192E-01 RMM: 4 -0.357490846334E+03 0.18573E-03 -0.77042E-04 4718 0.567E-02 0.120E-01 RMM: 5 -0.357490741583E+03 0.10475E-03 -0.10556E-04 3811 0.262E-02 0.762E-02 RMM: 6 -0.357490722134E+03 0.19449E-04 -0.32663E-05 2882 0.170E-02 8871 T= 6594. E= 0.69168411E+03 F= 0.63713025E+03 E0= 0.66712399E+03 EK= 0.54554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357393944741E+03 0.96797E-01 -0.17863E-01 8208 0.236E+01 0.267E-01 RMM: 2 -0.357421363338E+03 -0.27419E-01 -0.95538E-02 5319 0.668E-01 0.170E+00 RMM: 3 -0.357401154975E+03 0.20208E-01 -0.10926E-02 5373 0.236E-01 0.225E-01 RMM: 4 -0.357400845659E+03 0.30932E-03 -0.11623E-03 4755 0.661E-02 0.102E-01 RMM: 5 -0.357400778782E+03 0.66877E-04 -0.12935E-04 3929 0.272E-02 0.905E-02 RMM: 6 -0.357400738837E+03 0.39945E-04 -0.36689E-05 2962 0.178E-02 0.633E-02 RMM: 7 -0.357400776043E+03 -0.37206E-04 -0.72251E-05 3562 0.221E-02 0.107E-01 RMM: 8 -0.357400707435E+03 0.68608E-04 -0.10653E-04 3884 0.220E-02 0.507E-02 RMM: 9 -0.357400692948E+03 0.14487E-04 -0.18948E-05 2560 0.121E-02 8872 T= 6070. E= 0.68742000E+03 F= 0.63720340E+03 E0= 0.66726499E+03 EK= 0.50217E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357396634891E+03 0.40725E-02 -0.15917E-01 8196 0.227E+01 0.295E-01 RMM: 2 -0.357419965301E+03 -0.23330E-01 -0.87497E-02 5282 0.664E-01 0.160E+00 RMM: 3 -0.357402790306E+03 0.17175E-01 -0.10148E-02 5370 0.235E-01 0.302E-01 RMM: 4 -0.357402245335E+03 0.54497E-03 -0.14298E-03 4658 0.829E-02 0.132E-01 RMM: 5 -0.357402267498E+03 -0.22163E-04 -0.22179E-04 3884 0.362E-02 0.158E-01 RMM: 6 -0.357402107317E+03 0.16018E-03 -0.76411E-05 3539 0.257E-02 0.357E-02 RMM: 7 -0.357402110208E+03 -0.28908E-05 -0.20342E-05 2548 0.131E-02 8873 T= 5696. E= 0.68430001E+03 F= 0.63718184E+03 E0= 0.66731126E+03 EK= 0.47118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357549232104E+03 -0.14712E+00 -0.15093E-01 8496 0.221E+01 0.200E-01 RMM: 2 -0.357564959426E+03 -0.15727E-01 -0.77595E-02 5281 0.608E-01 0.118E+00 RMM: 3 -0.357555243224E+03 0.97162E-02 -0.72330E-03 5468 0.182E-01 0.171E-01 RMM: 4 -0.357555070337E+03 0.17289E-03 -0.69630E-04 4690 0.549E-02 0.108E-01 RMM: 5 -0.357555013831E+03 0.56505E-04 -0.98793E-05 3790 0.252E-02 0.827E-02 RMM: 6 -0.357554971527E+03 0.42304E-04 -0.27874E-05 2725 0.158E-02 0.390E-02 RMM: 7 -0.357554987168E+03 -0.15641E-04 -0.49018E-05 3159 0.180E-02 8874 T= 5567. E= 0.68306091E+03 F= 0.63700547E+03 E0= 0.66720305E+03 EK= 0.46055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357868808872E+03 -0.31384E+00 -0.14660E-01 8316 0.222E+01 0.221E-01 RMM: 2 -0.357883231755E+03 -0.14423E-01 -0.73391E-02 5237 0.614E-01 0.114E+00 RMM: 3 -0.357874437130E+03 0.87946E-02 -0.74790E-03 5497 0.188E-01 0.237E-01 RMM: 4 -0.357874054395E+03 0.38273E-03 -0.81913E-04 4647 0.628E-02 0.873E-02 RMM: 5 -0.357874056370E+03 -0.19746E-05 -0.12558E-04 3834 0.268E-02 8875 T= 5710. E= 0.68389706E+03 F= 0.63665985E+03 E0= 0.66692465E+03 EK= 0.47237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358323644022E+03 -0.44959E+00 -0.15374E-01 8256 0.227E+01 0.134E-01 RMM: 2 -0.358332735146E+03 -0.90911E-02 -0.74637E-02 5314 0.600E-01 0.626E-01 RMM: 3 -0.358329805269E+03 0.29299E-02 -0.60282E-03 5781 0.147E-01 0.142E-01 RMM: 4 -0.358329612728E+03 0.19254E-03 -0.32281E-04 4169 0.385E-02 0.770E-02 RMM: 5 -0.358329564933E+03 0.47795E-04 -0.45802E-05 2988 0.199E-02 0.647E-02 RMM: 6 -0.358329559381E+03 0.55517E-05 -0.35892E-05 2933 0.169E-02 8876 T= 6092. E= 0.68656893E+03 F= 0.63617534E+03 E0= 0.66650667E+03 EK= 0.50394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358845134269E+03 -0.51557E+00 -0.15637E-01 8124 0.236E+01 0.296E-01 RMM: 2 -0.358870877031E+03 -0.25743E-01 -0.77660E-02 5277 0.657E-01 0.174E+00 RMM: 3 -0.358850736242E+03 0.20141E-01 -0.10803E-02 5360 0.248E-01 0.269E-01 RMM: 4 -0.358850283580E+03 0.45266E-03 -0.12589E-03 4643 0.721E-02 0.112E-01 RMM: 5 -0.358850260296E+03 0.23284E-04 -0.18550E-04 3876 0.351E-02 0.112E-01 RMM: 6 -0.358850185270E+03 0.75026E-04 -0.49870E-05 3226 0.210E-02 0.419E-02 RMM: 7 -0.358850191839E+03 -0.65693E-05 -0.25117E-05 2573 0.154E-02 8877 T= 6609. E= 0.69029796E+03 F= 0.63562383E+03 E0= 0.66601902E+03 EK= 0.54674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359332235316E+03 -0.48205E+00 -0.16990E-01 7620 0.245E+01 0.309E-01 RMM: 2 -0.359357076889E+03 -0.24842E-01 -0.99856E-02 5309 0.770E-01 0.163E+00 RMM: 3 -0.359339739442E+03 0.17337E-01 -0.12286E-02 5400 0.261E-01 0.343E-01 RMM: 4 -0.359338921795E+03 0.81765E-03 -0.14755E-03 4677 0.835E-02 0.110E-01 RMM: 5 -0.359338876169E+03 0.45626E-04 -0.22468E-04 3887 0.394E-02 0.119E-01 RMM: 6 -0.359338788235E+03 0.87934E-04 -0.55376E-05 3260 0.220E-02 0.515E-02 RMM: 7 -0.359338789750E+03 -0.15145E-05 -0.31318E-05 2624 0.163E-02 8878 T= 7079. E= 0.69366828E+03 F= 0.63510282E+03 E0= 0.66555513E+03 EK= 0.58565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359694420093E+03 -0.35563E+00 -0.18251E-01 8004 0.250E+01 0.224E-01 RMM: 2 -0.359711590015E+03 -0.17170E-01 -0.96574E-02 5172 0.740E-01 0.119E+00 RMM: 3 -0.359702462941E+03 0.91271E-02 -0.10226E-02 5440 0.216E-01 0.234E-01 RMM: 4 -0.359702088900E+03 0.37404E-03 -0.87220E-04 4714 0.614E-02 0.952E-02 RMM: 5 -0.359702040259E+03 0.48641E-04 -0.13240E-04 3869 0.310E-02 0.848E-02 RMM: 6 -0.359702001072E+03 0.39186E-04 -0.40079E-05 2988 0.188E-02 0.542E-02 RMM: 7 -0.359702014589E+03 -0.13517E-04 -0.41640E-05 3002 0.189E-02 8879 T= 7293. E= 0.69503633E+03 F= 0.63470547E+03 E0= 0.66520658E+03 EK= 0.60331E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359879489662E+03 -0.17749E+00 -0.18758E-01 7848 0.250E+01 0.231E-01 RMM: 2 -0.359895361597E+03 -0.15872E-01 -0.10298E-01 5015 0.783E-01 0.107E+00 RMM: 3 -0.359887789740E+03 0.75719E-02 -0.11243E-02 5496 0.228E-01 0.220E-01 RMM: 4 -0.359887470737E+03 0.31900E-03 -0.90933E-04 4692 0.652E-02 0.116E-01 RMM: 5 -0.359887416314E+03 0.54424E-04 -0.15458E-04 3877 0.336E-02 0.996E-02 RMM: 6 -0.359887360074E+03 0.56240E-04 -0.46395E-05 3121 0.199E-02 0.482E-02 RMM: 7 -0.359887368833E+03 -0.87589E-05 -0.30367E-05 2663 0.168E-02 8880 T= 7141. E= 0.69355497E+03 F= 0.63448364E+03 E0= 0.66502218E+03 EK= 0.59071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359897946279E+03 -0.10586E-01 -0.17835E-01 7764 0.244E+01 0.188E-01 RMM: 2 -0.359911016100E+03 -0.13070E-01 -0.85018E-02 5066 0.687E-01 0.945E-01 RMM: 3 -0.359904961851E+03 0.60542E-02 -0.85360E-03 5456 0.196E-01 0.191E-01 RMM: 4 -0.359904744433E+03 0.21742E-03 -0.67132E-04 4654 0.570E-02 0.102E-01 RMM: 5 -0.359904711644E+03 0.32789E-04 -0.11055E-04 3811 0.276E-02 0.952E-02 RMM: 6 -0.359904661504E+03 0.50140E-04 -0.37026E-05 2995 0.183E-02 0.443E-02 RMM: 7 -0.359904676637E+03 -0.15132E-04 -0.27707E-05 2602 0.157E-02 8881 T= 6701. E= 0.68985966E+03 F= 0.63442655E+03 E0= 0.66499175E+03 EK= 0.55433E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359805971730E+03 0.98690E-01 -0.16586E-01 7860 0.234E+01 0.214E-01 RMM: 2 -0.359818905347E+03 -0.12934E-01 -0.76758E-02 5002 0.669E-01 0.102E+00 RMM: 3 -0.359811986110E+03 0.69192E-02 -0.88368E-03 5407 0.209E-01 0.207E-01 RMM: 4 -0.359811744446E+03 0.24166E-03 -0.72677E-04 4665 0.586E-02 0.105E-01 RMM: 5 -0.359811745389E+03 -0.94308E-06 -0.13134E-04 3857 0.306E-02 8882 T= 6174. E= 0.68555472E+03 F= 0.63447552E+03 E0= 0.66505756E+03 EK= 0.51079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359675372352E+03 0.13637E+00 -0.14970E-01 7608 0.226E+01 0.152E-01 RMM: 2 -0.359683207993E+03 -0.78356E-02 -0.66213E-02 5330 0.583E-01 0.552E-01 RMM: 3 -0.359680774401E+03 0.24336E-02 -0.54212E-03 5459 0.156E-01 0.148E-01 RMM: 4 -0.359680705700E+03 0.68701E-04 -0.42656E-04 4241 0.457E-02 0.138E-01 RMM: 5 -0.359680596705E+03 0.10899E-03 -0.96457E-05 3717 0.279E-02 0.826E-02 RMM: 6 -0.359680569429E+03 0.27276E-04 -0.40443E-05 3010 0.185E-02 0.585E-02 RMM: 7 -0.359680611070E+03 -0.41642E-04 -0.86449E-05 3879 0.209E-02 0.107E-01 RMM: 8 -0.359680544215E+03 0.66855E-04 -0.54423E-05 3317 0.201E-02 0.329E-02 RMM: 9 -0.359680542190E+03 0.20253E-05 -0.14660E-05 2479 0.115E-02 8883 T= 5753. E= 0.68215354E+03 F= 0.63455804E+03 E0= 0.66515053E+03 EK= 0.47595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359564568224E+03 0.11598E+00 -0.13770E-01 7776 0.220E+01 0.209E-01 RMM: 2 -0.359572879659E+03 -0.83114E-02 -0.60061E-02 4995 0.593E-01 0.782E-01 RMM: 3 -0.359568886321E+03 0.39933E-02 -0.64139E-03 5422 0.174E-01 0.150E-01 RMM: 4 -0.359569010978E+03 -0.12466E-03 -0.65289E-04 4625 0.592E-02 0.218E-01 RMM: 5 -0.359568741927E+03 0.26905E-03 -0.16100E-04 3871 0.340E-02 0.896E-02 RMM: 6 -0.359568693461E+03 0.48466E-04 -0.36653E-05 3027 0.188E-02 0.246E-02 RMM: 7 -0.359568699927E+03 -0.64658E-05 -0.14148E-05 2485 0.112E-02 8884 T= 5552. E= 0.68054806E+03 F= 0.63461663E+03 E0= 0.66521450E+03 EK= 0.45931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359499868512E+03 0.68825E-01 -0.13352E-01 7884 0.219E+01 0.137E-01 RMM: 2 -0.359506524171E+03 -0.66557E-02 -0.50939E-02 5223 0.523E-01 0.608E-01 RMM: 3 -0.359503926119E+03 0.25981E-02 -0.43567E-03 5512 0.133E-01 0.119E-01 RMM: 4 -0.359503857945E+03 0.68174E-04 -0.31752E-04 4138 0.412E-02 0.985E-02 RMM: 5 -0.359503801320E+03 0.56626E-04 -0.58977E-05 3276 0.226E-02 0.654E-02 RMM: 6 -0.359503783075E+03 0.18245E-04 -0.26535E-05 2574 0.154E-02 8885 T= 5614. E= 0.68106559E+03 F= 0.63462456E+03 E0= 0.66522401E+03 EK= 0.46441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359477975810E+03 0.25826E-01 -0.13894E-01 7728 0.223E+01 0.220E-01 RMM: 2 -0.359491625770E+03 -0.13650E-01 -0.56091E-02 5181 0.557E-01 0.119E+00 RMM: 3 -0.359482320501E+03 0.93053E-02 -0.70833E-03 5353 0.194E-01 0.248E-01 RMM: 4 -0.359481935130E+03 0.38537E-03 -0.72735E-04 4636 0.556E-02 0.853E-02 RMM: 5 -0.359481914357E+03 0.20773E-04 -0.11097E-04 3836 0.282E-02 0.882E-02 RMM: 6 -0.359481870242E+03 0.44114E-04 -0.36340E-05 2964 0.179E-02 0.524E-02 RMM: 7 -0.359481890098E+03 -0.19855E-04 -0.36677E-05 2943 0.177E-02 8886 T= 5926. E= 0.68361384E+03 F= 0.63458705E+03 E0= 0.66518474E+03 EK= 0.49027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359464431464E+03 0.17439E-01 -0.15147E-01 7896 0.230E+01 0.274E-01 RMM: 2 -0.359485336867E+03 -0.20905E-01 -0.66480E-02 5226 0.631E-01 0.159E+00 RMM: 3 -0.359469258646E+03 0.16078E-01 -0.95026E-03 5358 0.233E-01 0.292E-01 RMM: 4 -0.359468708122E+03 0.55052E-03 -0.10606E-03 4644 0.674E-02 0.106E-01 RMM: 5 -0.359468696894E+03 0.11228E-04 -0.18944E-04 3876 0.368E-02 8887 T= 6418. E= 0.68763164E+03 F= 0.63453969E+03 E0= 0.66513038E+03 EK= 0.53092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359401391319E+03 0.67317E-01 -0.16588E-01 8160 0.239E+01 0.210E-01 RMM: 2 -0.359417772678E+03 -0.16381E-01 -0.68130E-02 5339 0.598E-01 0.129E+00 RMM: 3 -0.359406763237E+03 0.11009E-01 -0.71592E-03 5367 0.192E-01 0.195E-01 RMM: 4 -0.359406520000E+03 0.24324E-03 -0.68804E-04 4863 0.494E-02 0.925E-02 RMM: 5 -0.359406455845E+03 0.64155E-04 -0.80137E-05 3699 0.261E-02 0.728E-02 RMM: 6 -0.359406434188E+03 0.21657E-04 -0.33633E-05 2744 0.171E-02 0.640E-02 RMM: 7 -0.359406459239E+03 -0.25051E-04 -0.51927E-05 3268 0.186E-02 0.106E-01 RMM: 8 -0.359406379060E+03 0.80179E-04 -0.70486E-05 3801 0.219E-02 0.316E-02 RMM: 9 -0.359406379518E+03 -0.45762E-06 -0.18656E-05 2510 0.120E-02 8888 T= 6935. E= 0.69191575E+03 F= 0.63454099E+03 E0= 0.66512099E+03 EK= 0.57375E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359231007169E+03 0.17537E+00 -0.17447E-01 8064 0.247E+01 0.214E-01 RMM: 2 -0.359243341718E+03 -0.12335E-01 -0.73381E-02 5219 0.661E-01 0.102E+00 RMM: 3 -0.359236546765E+03 0.67950E-02 -0.74288E-03 5433 0.190E-01 0.202E-01 RMM: 4 -0.359236409590E+03 0.13718E-03 -0.81233E-04 4623 0.632E-02 0.165E-01 RMM: 5 -0.359236249519E+03 0.16007E-03 -0.20525E-04 3880 0.394E-02 0.871E-02 RMM: 6 -0.359236213461E+03 0.36058E-04 -0.48123E-05 3194 0.203E-02 0.528E-02 RMM: 7 -0.359236218822E+03 -0.53615E-05 -0.34465E-05 2845 0.178E-02 8889 T= 7269. E= 0.69478042E+03 F= 0.63464957E+03 E0= 0.66521101E+03 EK= 0.60131E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358925591039E+03 0.31062E+00 -0.17635E-01 7836 0.249E+01 0.152E-01 RMM: 2 -0.358934520073E+03 -0.89290E-02 -0.64239E-02 5410 0.587E-01 0.747E-01 RMM: 3 -0.358930654991E+03 0.38651E-02 -0.46688E-03 5595 0.141E-01 0.135E-01 RMM: 4 -0.358930534386E+03 0.12060E-03 -0.35145E-04 4108 0.421E-02 0.908E-02 RMM: 5 -0.358930474497E+03 0.59889E-04 -0.73573E-05 3633 0.246E-02 0.680E-02 RMM: 6 -0.358930469300E+03 0.51968E-05 -0.32951E-05 2830 0.165E-02 8890 T= 7256. E= 0.69491602E+03 F= 0.63489222E+03 E0= 0.66542720E+03 EK= 0.60024E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358511325394E+03 0.41915E+00 -0.17099E-01 7668 0.245E+01 0.303E-01 RMM: 2 -0.358533702195E+03 -0.22377E-01 -0.75310E-02 5149 0.662E-01 0.162E+00 RMM: 3 -0.358516719055E+03 0.16983E-01 -0.11079E-02 5346 0.254E-01 0.307E-01 RMM: 4 -0.358516093280E+03 0.62578E-03 -0.11653E-03 4656 0.697E-02 0.104E-01 RMM: 5 -0.358516089385E+03 0.38952E-05 -0.18716E-04 3897 0.360E-02 8891 T= 6905. E= 0.69236419E+03 F= 0.63524052E+03 E0= 0.66574339E+03 EK= 0.57124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358063148815E+03 0.45294E+00 -0.16011E-01 7620 0.237E+01 0.268E-01 RMM: 2 -0.358083491804E+03 -0.20343E-01 -0.71193E-02 5327 0.610E-01 0.150E+00 RMM: 3 -0.358068756320E+03 0.14735E-01 -0.89547E-03 5344 0.225E-01 0.332E-01 RMM: 4 -0.358068082000E+03 0.67432E-03 -0.11297E-03 4637 0.715E-02 0.114E-01 RMM: 5 -0.358068042369E+03 0.39631E-04 -0.17018E-04 3881 0.345E-02 0.109E-01 RMM: 6 -0.358067970227E+03 0.72142E-04 -0.57689E-05 3303 0.222E-02 0.515E-02 RMM: 7 -0.358067999762E+03 -0.29535E-04 -0.38233E-05 2925 0.172E-02 0.935E-02 RMM: 8 -0.358067946511E+03 0.53250E-04 -0.91627E-05 3877 0.246E-02 0.381E-02 RMM: 9 -0.358067939194E+03 0.73176E-05 -0.13526E-05 2488 0.111E-02 8892 T= 6389. E= 0.68847185E+03 F= 0.63561824E+03 E0= 0.66608547E+03 EK= 0.52854E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357672410424E+03 0.39554E+00 -0.15215E-01 7836 0.228E+01 0.260E-01 RMM: 2 -0.357688529188E+03 -0.16119E-01 -0.75291E-02 5047 0.653E-01 0.127E+00 RMM: 3 -0.357677940798E+03 0.10588E-01 -0.86490E-03 5400 0.208E-01 0.197E-01 RMM: 4 -0.357678077608E+03 -0.13681E-03 -0.11407E-03 4636 0.755E-02 0.257E-01 RMM: 5 -0.357677743543E+03 0.33407E-03 -0.25387E-04 3932 0.414E-02 0.119E-01 RMM: 6 -0.357677655420E+03 0.88122E-04 -0.56871E-05 3311 0.222E-02 0.338E-02 RMM: 7 -0.357677667818E+03 -0.12397E-04 -0.25545E-05 2570 0.152E-02 8893 T= 5917. E= 0.68488577E+03 F= 0.63593287E+03 E0= 0.66636296E+03 EK= 0.48953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357417223904E+03 0.26043E+00 -0.13983E-01 7824 0.221E+01 0.201E-01 RMM: 2 -0.357426690883E+03 -0.94670E-02 -0.56904E-02 5343 0.562E-01 0.887E-01 RMM: 3 -0.357421488635E+03 0.52022E-02 -0.50523E-03 5417 0.154E-01 0.166E-01 RMM: 4 -0.357421422799E+03 0.65836E-04 -0.65190E-04 4607 0.587E-02 0.156E-01 RMM: 5 -0.357421293478E+03 0.12932E-03 -0.13186E-04 3867 0.294E-02 0.906E-02 RMM: 6 -0.357421244360E+03 0.49118E-04 -0.29618E-05 2813 0.169E-02 0.389E-02 RMM: 7 -0.357421253866E+03 -0.95063E-05 -0.28104E-05 2625 0.150E-02 8894 T= 5638. E= 0.68274604E+03 F= 0.63610856E+03 E0= 0.66650266E+03 EK= 0.46637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357337586957E+03 0.83657E-01 -0.13592E-01 7716 0.219E+01 0.181E-01 RMM: 2 -0.357345150837E+03 -0.75639E-02 -0.48401E-02 5228 0.518E-01 0.780E-01 RMM: 3 -0.357341202960E+03 0.39479E-02 -0.45715E-03 5423 0.145E-01 0.144E-01 RMM: 4 -0.357341195243E+03 0.77175E-05 -0.51178E-04 4549 0.508E-02 0.157E-01 RMM: 5 -0.357341081954E+03 0.11329E-03 -0.11780E-04 3821 0.285E-02 0.962E-02 RMM: 6 -0.357341023176E+03 0.58777E-04 -0.36963E-05 3049 0.186E-02 0.313E-02 RMM: 7 -0.357341035620E+03 -0.12444E-04 -0.20371E-05 2530 0.131E-02 8895 T= 5616. E= 0.68256168E+03 F= 0.63610405E+03 E0= 0.66646443E+03 EK= 0.46458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357436955876E+03 -0.95933E-01 -0.13847E-01 7824 0.222E+01 0.182E-01 RMM: 2 -0.357445244921E+03 -0.82890E-02 -0.45647E-02 5268 0.501E-01 0.875E-01 RMM: 3 -0.357440322264E+03 0.49227E-02 -0.46924E-03 5356 0.152E-01 0.146E-01 RMM: 4 -0.357440248821E+03 0.73443E-04 -0.47385E-04 4522 0.469E-02 0.116E-01 RMM: 5 -0.357440192048E+03 0.56773E-04 -0.93292E-05 3772 0.259E-02 0.896E-02 RMM: 6 -0.357440140444E+03 0.51604E-04 -0.40443E-05 3083 0.190E-02 0.356E-02 RMM: 7 -0.357440157187E+03 -0.16743E-04 -0.27685E-05 2633 0.153E-02 8896 T= 5856. E= 0.68436647E+03 F= 0.63591792E+03 E0= 0.66624701E+03 EK= 0.48449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357676880942E+03 -0.23674E+00 -0.14435E-01 7896 0.230E+01 0.180E-01 RMM: 2 -0.357686110912E+03 -0.92300E-02 -0.48684E-02 5276 0.532E-01 0.928E-01 RMM: 3 -0.357680618515E+03 0.54924E-02 -0.49735E-03 5408 0.155E-01 0.176E-01 RMM: 4 -0.357680413949E+03 0.20457E-03 -0.48367E-04 4509 0.473E-02 0.849E-02 RMM: 5 -0.357680387595E+03 0.26354E-04 -0.98570E-05 3830 0.277E-02 0.825E-02 RMM: 6 -0.357680350987E+03 0.36608E-04 -0.42480E-05 3112 0.192E-02 0.483E-02 RMM: 7 -0.357680377534E+03 -0.26547E-04 -0.36993E-05 2957 0.176E-02 0.862E-02 RMM: 8 -0.357680331417E+03 0.46117E-04 -0.25957E-05 2618 0.162E-02 0.271E-02 RMM: 9 -0.357680328129E+03 0.32872E-05 -0.75804E-06 2438 0.758E-03 8897 T= 6304. E= 0.68773750E+03 F= 0.63559015E+03 E0= 0.66589062E+03 EK= 0.52147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357982147858E+03 -0.30182E+00 -0.15369E-01 8112 0.239E+01 0.130E-01 RMM: 2 -0.357988368595E+03 -0.62207E-02 -0.53247E-02 5317 0.541E-01 0.537E-01 RMM: 3 -0.357986463769E+03 0.19048E-02 -0.42334E-03 5575 0.128E-01 0.122E-01 RMM: 4 -0.357986389545E+03 0.74224E-04 -0.32042E-04 3990 0.429E-02 0.117E-01 RMM: 5 -0.357986292931E+03 0.96614E-04 -0.85461E-05 3689 0.271E-02 0.582E-02 RMM: 6 -0.357986289167E+03 0.37642E-05 -0.38714E-05 2970 0.179E-02 8898 T= 6824. E= 0.69164592E+03 F= 0.63519700E+03 E0= 0.66546953E+03 EK= 0.56449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358258780190E+03 -0.27249E+00 -0.16683E-01 8100 0.248E+01 0.245E-01 RMM: 2 -0.358278232957E+03 -0.19453E-01 -0.67360E-02 5304 0.625E-01 0.148E+00 RMM: 3 -0.358263811340E+03 0.14422E-01 -0.84022E-03 5350 0.215E-01 0.219E-01 RMM: 4 -0.358263501697E+03 0.30964E-03 -0.83468E-04 4711 0.566E-02 0.896E-02 RMM: 5 -0.358263445050E+03 0.56647E-04 -0.11058E-04 3849 0.306E-02 0.815E-02 RMM: 6 -0.358263424784E+03 0.20266E-04 -0.49149E-05 3188 0.201E-02 0.775E-02 RMM: 7 -0.358263448441E+03 -0.23658E-04 -0.83471E-05 3775 0.242E-02 0.109E-01 RMM: 8 -0.358263367398E+03 0.81044E-04 -0.45157E-05 3169 0.198E-02 0.337E-02 RMM: 9 -0.358263364699E+03 0.26989E-05 -0.15827E-05 2481 0.111E-02 8899 T= 7212. E= 0.69449959E+03 F= 0.63483295E+03 E0= 0.66508041E+03 EK= 0.59667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358426425872E+03 -0.16306E+00 -0.17216E-01 7776 0.252E+01 0.183E-01 RMM: 2 -0.358438229336E+03 -0.11803E-01 -0.67581E-02 5290 0.617E-01 0.985E-01 RMM: 3 -0.358431739838E+03 0.64895E-02 -0.62703E-03 5383 0.173E-01 0.176E-01 RMM: 4 -0.358431617462E+03 0.12238E-03 -0.75083E-04 4646 0.612E-02 0.145E-01 RMM: 5 -0.358431489396E+03 0.12807E-03 -0.15478E-04 3876 0.342E-02 0.790E-02 RMM: 6 -0.358431455189E+03 0.34207E-04 -0.40405E-05 3011 0.188E-02 0.542E-02 RMM: 7 -0.358431443063E+03 0.12126E-04 -0.38171E-05 2627 0.190E-02 8900 T= 7284. E= 0.69483641E+03 F= 0.63457684E+03 E0= 0.66479906E+03 EK= 0.60260E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358451745042E+03 -0.20290E-01 -0.17521E-01 7632 0.249E+01 0.182E-01 RMM: 2 -0.358462479645E+03 -0.10735E-01 -0.73650E-02 5193 0.627E-01 0.853E-01 RMM: 3 -0.358457656187E+03 0.48235E-02 -0.71084E-03 5645 0.169E-01 0.165E-01 RMM: 4 -0.358457464692E+03 0.19150E-03 -0.53062E-04 4625 0.523E-02 0.108E-01 RMM: 5 -0.358457382282E+03 0.82410E-04 -0.12486E-04 3883 0.299E-02 0.798E-02 RMM: 6 -0.358457378040E+03 0.42422E-05 -0.56747E-05 3346 0.210E-02 8901 T= 7000. E= 0.69237204E+03 F= 0.63445979E+03 E0= 0.66465822E+03 EK= 0.57912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358363529303E+03 0.93853E-01 -0.16644E-01 7800 0.242E+01 0.278E-01 RMM: 2 -0.358382770609E+03 -0.19241E-01 -0.67899E-02 5210 0.606E-01 0.147E+00 RMM: 3 -0.358368520231E+03 0.14250E-01 -0.98153E-03 5330 0.235E-01 0.264E-01 RMM: 4 -0.358368121353E+03 0.39888E-03 -0.10277E-03 4644 0.645E-02 0.111E-01 RMM: 5 -0.358368086708E+03 0.34646E-04 -0.14900E-04 3885 0.315E-02 0.110E-01 RMM: 6 -0.358368013844E+03 0.72863E-04 -0.58604E-05 3348 0.221E-02 0.475E-02 RMM: 7 -0.358368040845E+03 -0.27001E-04 -0.42316E-05 3079 0.188E-02 0.843E-02 RMM: 8 -0.358368000644E+03 0.40201E-04 -0.26129E-05 2612 0.156E-02 0.420E-02 RMM: 9 -0.358367990328E+03 0.10316E-04 -0.11280E-05 2464 0.991E-03 8902 T= 6502. E= 0.68824222E+03 F= 0.63445292E+03 E0= 0.66462708E+03 EK= 0.53789E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358227580389E+03 0.14042E+00 -0.15607E-01 7872 0.233E+01 0.312E-01 RMM: 2 -0.358248094988E+03 -0.20515E-01 -0.74787E-02 5193 0.652E-01 0.154E+00 RMM: 3 -0.358232941862E+03 0.15153E-01 -0.10736E-02 5347 0.246E-01 0.327E-01 RMM: 4 -0.358232306150E+03 0.63571E-03 -0.13668E-03 4656 0.792E-02 0.134E-01 RMM: 5 -0.358232320520E+03 -0.14370E-04 -0.21304E-04 3877 0.374E-02 0.151E-01 RMM: 6 -0.358232172021E+03 0.14850E-03 -0.71090E-05 3464 0.250E-02 0.342E-02 RMM: 7 -0.358232173405E+03 -0.13840E-05 -0.20754E-05 2548 0.133E-02 8903 T= 6001. E= 0.68412646E+03 F= 0.63448595E+03 E0= 0.66463515E+03 EK= 0.49641E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358119903781E+03 0.11227E+00 -0.14766E-01 7992 0.225E+01 0.217E-01 RMM: 2 -0.358130170820E+03 -0.10267E-01 -0.62869E-02 5285 0.572E-01 0.912E-01 RMM: 3 -0.358124496809E+03 0.56740E-02 -0.57233E-03 5401 0.167E-01 0.162E-01 RMM: 4 -0.358124606428E+03 -0.10962E-03 -0.73192E-04 4616 0.615E-02 0.212E-01 RMM: 5 -0.358124338678E+03 0.26775E-03 -0.16103E-04 3876 0.315E-02 0.986E-02 RMM: 6 -0.358124280311E+03 0.58366E-04 -0.46160E-05 3199 0.199E-02 0.407E-02 RMM: 7 -0.358124302990E+03 -0.22679E-04 -0.34471E-05 2854 0.166E-02 0.792E-02 RMM: 8 -0.358124265676E+03 0.37314E-04 -0.27567E-05 2607 0.161E-02 0.256E-02 RMM: 9 -0.358124266150E+03 -0.47411E-06 -0.11095E-05 2458 0.948E-03 8904 T= 5661. E= 0.68131420E+03 F= 0.63448441E+03 E0= 0.66460699E+03 EK= 0.46830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358092865648E+03 0.31400E-01 -0.14372E-01 8076 0.221E+01 0.199E-01 RMM: 2 -0.358101332532E+03 -0.84669E-02 -0.66960E-02 5053 0.601E-01 0.699E-01 RMM: 3 -0.358098091253E+03 0.32413E-02 -0.67184E-03 5670 0.164E-01 0.166E-01 RMM: 4 -0.358098054340E+03 0.36913E-04 -0.65639E-04 4623 0.605E-02 0.186E-01 RMM: 5 -0.358097880409E+03 0.17393E-03 -0.16016E-04 3847 0.317E-02 0.109E-01 RMM: 6 -0.358097805520E+03 0.74889E-04 -0.46486E-05 3199 0.206E-02 0.296E-02 RMM: 7 -0.358097817437E+03 -0.11918E-04 -0.21782E-05 2541 0.136E-02 8905 T= 5567. E= 0.68044782E+03 F= 0.63439599E+03 E0= 0.66448903E+03 EK= 0.46052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358168651896E+03 -0.70846E-01 -0.14512E-01 8184 0.221E+01 0.176E-01 RMM: 2 -0.358176806674E+03 -0.81548E-02 -0.66445E-02 5093 0.593E-01 0.642E-01 RMM: 3 -0.358173934909E+03 0.28718E-02 -0.64949E-03 5734 0.159E-01 0.135E-01 RMM: 4 -0.358173875835E+03 0.59074E-04 -0.47583E-04 4531 0.500E-02 0.146E-01 RMM: 5 -0.358173737904E+03 0.13793E-03 -0.10642E-04 3800 0.264E-02 0.706E-02 RMM: 6 -0.358173723458E+03 0.14446E-04 -0.43187E-05 3132 0.187E-02 8906 T= 5738. E= 0.68166988E+03 F= 0.63420205E+03 E0= 0.66426197E+03 EK= 0.47468E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358334450254E+03 -0.16071E+00 -0.15232E-01 8328 0.227E+01 0.242E-01 RMM: 2 -0.358351140427E+03 -0.16690E-01 -0.74474E-02 5136 0.621E-01 0.128E+00 RMM: 3 -0.358340270245E+03 0.10870E-01 -0.85813E-03 5383 0.209E-01 0.236E-01 RMM: 4 -0.358339929583E+03 0.34066E-03 -0.94896E-04 4638 0.638E-02 0.105E-01 RMM: 5 -0.358339906223E+03 0.23359E-04 -0.16977E-04 3884 0.339E-02 0.112E-01 RMM: 6 -0.358339833316E+03 0.72907E-04 -0.71285E-05 3537 0.241E-02 0.546E-02 RMM: 7 -0.358339870023E+03 -0.36707E-04 -0.57959E-05 3347 0.210E-02 0.966E-02 RMM: 8 -0.358339810520E+03 0.59503E-04 -0.32607E-05 2949 0.184E-02 0.315E-02 RMM: 9 -0.358339805973E+03 0.45470E-05 -0.85297E-06 2454 0.828E-03 8907 T= 6138. E= 0.68469878E+03 F= 0.63391725E+03 E0= 0.66393901E+03 EK= 0.50782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358546975155E+03 -0.20716E+00 -0.16326E-01 8352 0.235E+01 0.271E-01 RMM: 2 -0.358568693610E+03 -0.21718E-01 -0.85767E-02 5166 0.679E-01 0.150E+00 RMM: 3 -0.358553729648E+03 0.14964E-01 -0.10278E-02 5360 0.236E-01 0.304E-01 RMM: 4 -0.358553113761E+03 0.61589E-03 -0.12557E-03 4649 0.749E-02 0.955E-02 RMM: 5 -0.358553117062E+03 -0.33010E-05 -0.21234E-04 3885 0.390E-02 0.123E-01 RMM: 6 -0.358553017259E+03 0.99803E-04 -0.74781E-05 3583 0.248E-02 0.435E-02 RMM: 7 -0.358553048511E+03 -0.31252E-04 -0.53445E-05 3253 0.205E-02 0.887E-02 RMM: 8 -0.358552998594E+03 0.49917E-04 -0.30172E-05 2860 0.180E-02 0.230E-02 RMM: 9 -0.358552995875E+03 0.27194E-05 -0.67799E-06 2445 0.735E-03 8908 T= 6662. E= 0.68870143E+03 F= 0.63358636E+03 E0= 0.66356419E+03 EK= 0.55115E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358739366159E+03 -0.18637E+00 -0.18037E-01 8520 0.243E+01 0.195E-01 RMM: 2 -0.358754472996E+03 -0.15107E-01 -0.10631E-01 5152 0.740E-01 0.956E-01 RMM: 3 -0.358748246342E+03 0.62267E-02 -0.10063E-02 5701 0.201E-01 0.193E-01 RMM: 4 -0.358747927135E+03 0.31921E-03 -0.66893E-04 4761 0.551E-02 0.946E-02 RMM: 5 -0.358747852654E+03 0.74481E-04 -0.12613E-04 3869 0.319E-02 0.762E-02 RMM: 6 -0.358747860686E+03 -0.80322E-05 -0.57616E-05 3368 0.208E-02 8909 T= 7124. E= 0.69220756E+03 F= 0.63327506E+03 E0= 0.66320288E+03 EK= 0.58932E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358849341775E+03 -0.10149E+00 -0.19301E-01 8460 0.248E+01 0.282E-01 RMM: 2 -0.358872399035E+03 -0.23057E-01 -0.11950E-01 5157 0.769E-01 0.141E+00 RMM: 3 -0.358858819367E+03 0.13580E-01 -0.12763E-02 5389 0.255E-01 0.263E-01 RMM: 4 -0.358858367617E+03 0.45175E-03 -0.12468E-03 4796 0.704E-02 0.115E-01 RMM: 5 -0.358858312394E+03 0.55223E-04 -0.21196E-04 3903 0.398E-02 0.117E-01 RMM: 6 -0.358858244813E+03 0.67581E-04 -0.11663E-04 3870 0.297E-02 0.760E-02 RMM: 7 -0.358858318256E+03 -0.73443E-04 -0.10004E-04 3800 0.276E-02 0.134E-01 RMM: 8 -0.358858204578E+03 0.11368E-03 -0.48881E-05 3250 0.210E-02 0.444E-02 RMM: 9 -0.358858195453E+03 0.91255E-05 -0.14573E-05 2512 0.109E-02 8910 T= 7316. E= 0.69356936E+03 F= 0.63304820E+03 E0= 0.66292395E+03 EK= 0.60521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358843536678E+03 0.14668E-01 -0.19504E-01 8532 0.247E+01 0.281E-01 RMM: 2 -0.358866892906E+03 -0.23356E-01 -0.12144E-01 5170 0.775E-01 0.141E+00 RMM: 3 -0.358853246089E+03 0.13647E-01 -0.12395E-02 5415 0.249E-01 0.315E-01 RMM: 4 -0.358852572234E+03 0.67385E-03 -0.14461E-03 4715 0.817E-02 0.120E-01 RMM: 5 -0.358852551941E+03 0.20293E-04 -0.25985E-04 3983 0.431E-02 0.128E-01 RMM: 6 -0.358852447002E+03 0.10494E-03 -0.78490E-05 3593 0.252E-02 0.438E-02 RMM: 7 -0.358852474483E+03 -0.27481E-04 -0.48704E-05 3181 0.196E-02 0.840E-02 RMM: 8 -0.358852430411E+03 0.44072E-04 -0.29864E-05 2788 0.180E-02 0.243E-02 RMM: 9 -0.358852427902E+03 0.25090E-05 -0.72401E-06 2446 0.756E-03 8911 T= 7141. E= 0.69200962E+03 F= 0.63293488E+03 E0= 0.66275662E+03 EK= 0.59075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358741156039E+03 0.11127E+00 -0.19632E-01 8508 0.241E+01 0.227E-01 RMM: 2 -0.358758503912E+03 -0.17348E-01 -0.12924E-01 5104 0.780E-01 0.942E-01 RMM: 3 -0.358751459171E+03 0.70447E-02 -0.10996E-02 5538 0.221E-01 0.186E-01 RMM: 4 -0.358751387449E+03 0.71723E-04 -0.10245E-03 4703 0.713E-02 0.187E-01 RMM: 5 -0.358751193013E+03 0.19444E-03 -0.19717E-04 3887 0.356E-02 0.108E-01 RMM: 6 -0.358751126502E+03 0.66511E-04 -0.62458E-05 3355 0.225E-02 0.500E-02 RMM: 7 -0.358751159936E+03 -0.33435E-04 -0.59986E-05 3408 0.215E-02 0.932E-02 RMM: 8 -0.358751104644E+03 0.55293E-04 -0.30300E-05 2883 0.174E-02 0.235E-02 RMM: 9 -0.358751103342E+03 0.13019E-05 -0.88855E-06 2450 0.828E-03 8912 T= 6689. E= 0.68825164E+03 F= 0.63291179E+03 E0= 0.66268135E+03 EK= 0.55340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358604918395E+03 0.14619E+00 -0.18068E-01 8808 0.232E+01 0.216E-01 RMM: 2 -0.358617685641E+03 -0.12767E-01 -0.10534E-01 5319 0.689E-01 0.758E-01 RMM: 3 -0.358612830158E+03 0.48555E-02 -0.76093E-03 5644 0.183E-01 0.144E-01 RMM: 4 -0.358613029116E+03 -0.19896E-03 -0.79901E-04 4657 0.650E-02 0.248E-01 RMM: 5 -0.358612659766E+03 0.36935E-03 -0.20960E-04 3882 0.373E-02 0.939E-02 RMM: 6 -0.358612605333E+03 0.54433E-04 -0.49809E-05 3220 0.208E-02 0.382E-02 RMM: 7 -0.358612624509E+03 -0.19176E-04 -0.33831E-05 2816 0.169E-02 8913 T= 6166. E= 0.68393100E+03 F= 0.63291840E+03 E0= 0.66263932E+03 EK= 0.51013E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358498114561E+03 0.11449E+00 -0.17047E-01 8772 0.223E+01 0.217E-01 RMM: 2 -0.358508865538E+03 -0.10751E-01 -0.99719E-02 5297 0.678E-01 0.585E-01 RMM: 3 -0.358505709873E+03 0.31557E-02 -0.74780E-03 5655 0.178E-01 0.159E-01 RMM: 4 -0.358505949623E+03 -0.23975E-03 -0.75178E-04 4657 0.627E-02 0.271E-01 RMM: 5 -0.358505474016E+03 0.47561E-03 -0.23646E-04 3890 0.397E-02 0.733E-02 RMM: 6 -0.358505450225E+03 0.23791E-04 -0.44140E-05 3131 0.192E-02 0.508E-02 RMM: 7 -0.358505464434E+03 -0.14209E-04 -0.39985E-05 2917 0.181E-02 8914 T= 5760. E= 0.68053719E+03 F= 0.63288557E+03 E0= 0.66256251E+03 EK= 0.47652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358478630416E+03 0.26820E-01 -0.15831E-01 8868 0.218E+01 0.225E-01 RMM: 2 -0.358489801133E+03 -0.11171E-01 -0.87291E-02 5317 0.636E-01 0.786E-01 RMM: 3 -0.358484966066E+03 0.48351E-02 -0.68208E-03 5605 0.175E-01 0.164E-01 RMM: 4 -0.358485134128E+03 -0.16806E-03 -0.81675E-04 4645 0.659E-02 0.247E-01 RMM: 5 -0.358484795701E+03 0.33843E-03 -0.21812E-04 3883 0.378E-02 0.117E-01 RMM: 6 -0.358484707270E+03 0.88430E-04 -0.71569E-05 3478 0.246E-02 0.359E-02 RMM: 7 -0.358484729711E+03 -0.22441E-04 -0.32242E-05 2810 0.164E-02 0.734E-02 RMM: 8 -0.358484696908E+03 0.32803E-04 -0.23454E-05 2548 0.152E-02 0.278E-02 RMM: 9 -0.358484693628E+03 0.32805E-05 -0.90518E-06 2444 0.853E-03 8915 T= 5580. E= 0.67892218E+03 F= 0.63275940E+03 E0= 0.66239673E+03 EK= 0.46163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358572071850E+03 -0.87375E-01 -0.15103E-01 8880 0.218E+01 0.193E-01 RMM: 2 -0.358581120505E+03 -0.90487E-02 -0.75676E-02 5448 0.572E-01 0.639E-01 RMM: 3 -0.358577496358E+03 0.36241E-02 -0.49083E-03 5522 0.148E-01 0.135E-01 RMM: 4 -0.358577697125E+03 -0.20077E-03 -0.62547E-04 4654 0.572E-02 0.236E-01 RMM: 5 -0.358577345036E+03 0.35209E-03 -0.18578E-04 3877 0.349E-02 0.794E-02 RMM: 6 -0.358577314391E+03 0.30645E-04 -0.57701E-05 3332 0.215E-02 0.498E-02 RMM: 7 -0.358577323133E+03 -0.87415E-05 -0.35371E-05 2847 0.175E-02 8916 T= 5664. E= 0.67937451E+03 F= 0.63251554E+03 E0= 0.66211634E+03 EK= 0.46859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358773442396E+03 -0.19613E+00 -0.15422E-01 8880 0.223E+01 0.184E-01 RMM: 2 -0.358781905526E+03 -0.84631E-02 -0.73999E-02 5375 0.590E-01 0.598E-01 RMM: 3 -0.358778995773E+03 0.29098E-02 -0.57130E-03 5909 0.149E-01 0.134E-01 RMM: 4 -0.358779007381E+03 -0.11609E-04 -0.49444E-04 4551 0.511E-02 0.185E-01 RMM: 5 -0.358778795036E+03 0.21235E-03 -0.16713E-04 3881 0.349E-02 0.785E-02 RMM: 6 -0.358778792398E+03 0.26381E-05 -0.75590E-05 3525 0.238E-02 8917 T= 5995. E= 0.68175432E+03 F= 0.63216180E+03 E0= 0.66172867E+03 EK= 0.49593E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359045792918E+03 -0.26700E+00 -0.16491E-01 8520 0.231E+01 0.236E-01 RMM: 2 -0.359061981039E+03 -0.16188E-01 -0.87517E-02 5254 0.654E-01 0.116E+00 RMM: 3 -0.359052552647E+03 0.94284E-02 -0.88404E-03 5418 0.206E-01 0.217E-01 RMM: 4 -0.359052267826E+03 0.28482E-03 -0.88952E-04 4712 0.609E-02 0.118E-01 RMM: 5 -0.359052185256E+03 0.82570E-04 -0.20674E-04 3892 0.401E-02 0.971E-02 RMM: 6 -0.359052163010E+03 0.22246E-04 -0.11646E-04 3855 0.293E-02 0.863E-02 RMM: 7 -0.359052184508E+03 -0.21498E-04 -0.64495E-05 3453 0.228E-02 0.107E-01 RMM: 8 -0.359052110467E+03 0.74041E-04 -0.32257E-05 2946 0.180E-02 0.321E-02 RMM: 9 -0.359052107200E+03 0.32672E-05 -0.10990E-05 2460 0.924E-03 8918 T= 6490. E= 0.68542870E+03 F= 0.63173775E+03 E0= 0.66127242E+03 EK= 0.53691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359330258635E+03 -0.27815E+00 -0.17140E-01 8328 0.240E+01 0.242E-01 RMM: 2 -0.359347248541E+03 -0.16990E-01 -0.90064E-02 5252 0.692E-01 0.121E+00 RMM: 3 -0.359337334289E+03 0.99143E-02 -0.91241E-03 5488 0.207E-01 0.240E-01 RMM: 4 -0.359336932487E+03 0.40180E-03 -0.10148E-03 4634 0.696E-02 0.119E-01 RMM: 5 -0.359336846240E+03 0.86247E-04 -0.21429E-04 3883 0.407E-02 0.872E-02 RMM: 6 -0.359336818378E+03 0.27862E-04 -0.73280E-05 3542 0.242E-02 0.663E-02 RMM: 7 -0.359336835796E+03 -0.17418E-04 -0.44710E-05 3069 0.194E-02 8919 T= 6990. E= 0.68912947E+03 F= 0.63130473E+03 E0= 0.66080847E+03 EK= 0.57825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359561997375E+03 -0.22518E+00 -0.18318E-01 8136 0.246E+01 0.199E-01 RMM: 2 -0.359575354988E+03 -0.13358E-01 -0.10630E-01 5174 0.737E-01 0.794E-01 RMM: 3 -0.359570802589E+03 0.45524E-02 -0.10223E-02 5814 0.191E-01 0.171E-01 RMM: 4 -0.359570523440E+03 0.27915E-03 -0.60102E-04 4688 0.549E-02 0.129E-01 RMM: 5 -0.359570404043E+03 0.11940E-03 -0.20541E-04 3920 0.411E-02 0.899E-02 RMM: 6 -0.359570451399E+03 -0.47357E-04 -0.14364E-04 3880 0.315E-02 0.131E-01 RMM: 7 -0.359570371396E+03 0.80004E-04 -0.77250E-05 3636 0.254E-02 0.818E-02 RMM: 8 -0.359570329473E+03 0.41923E-04 -0.23984E-05 2643 0.149E-02 0.314E-02 RMM: 9 -0.359570329480E+03 -0.65083E-08 -0.15833E-05 2480 0.111E-02 8920 T= 7285. E= 0.69119234E+03 F= 0.63092428E+03 E0= 0.66039981E+03 EK= 0.60268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359708488203E+03 -0.13816E+00 -0.18373E-01 7932 0.247E+01 0.193E-01 RMM: 2 -0.359720549166E+03 -0.12061E-01 -0.10062E-01 5022 0.730E-01 0.724E-01 RMM: 3 -0.359716800294E+03 0.37489E-02 -0.10075E-02 5870 0.191E-01 0.149E-01 RMM: 4 -0.359716657169E+03 0.14313E-03 -0.63782E-04 4643 0.604E-02 0.166E-01 RMM: 5 -0.359716476257E+03 0.18091E-03 -0.18244E-04 3877 0.380E-02 0.734E-02 RMM: 6 -0.359716473250E+03 0.30069E-05 -0.81757E-05 3555 0.251E-02 8921 T= 7232. E= 0.69046087E+03 F= 0.63062976E+03 E0= 0.66008053E+03 EK= 0.59831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359783029130E+03 -0.66553E-01 -0.16790E-01 7620 0.243E+01 0.262E-01 RMM: 2 -0.359800537062E+03 -0.17508E-01 -0.90712E-02 5178 0.680E-01 0.122E+00 RMM: 3 -0.359789916173E+03 0.10621E-01 -0.92407E-03 5382 0.214E-01 0.211E-01 RMM: 4 -0.359789865508E+03 0.50665E-04 -0.11482E-03 4679 0.753E-02 0.206E-01 RMM: 5 -0.359789655109E+03 0.21040E-03 -0.28470E-04 3924 0.434E-02 0.141E-01 RMM: 6 -0.359789542424E+03 0.11268E-03 -0.11921E-04 3865 0.302E-02 0.689E-02 RMM: 7 -0.359789601258E+03 -0.58834E-04 -0.96751E-05 3774 0.268E-02 0.121E-01 RMM: 8 -0.359789505048E+03 0.96210E-04 -0.47763E-05 3229 0.214E-02 0.349E-02 RMM: 9 -0.359789499913E+03 0.51354E-05 -0.11544E-05 2482 0.968E-03 8922 T= 6862. E= 0.68716741E+03 F= 0.63040351E+03 E0= 0.65983481E+03 EK= 0.56764E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359845224727E+03 -0.55720E-01 -0.15356E-01 7668 0.234E+01 0.273E-01 RMM: 2 -0.359863008243E+03 -0.17784E-01 -0.82604E-02 5050 0.681E-01 0.131E+00 RMM: 3 -0.359851359381E+03 0.11649E-01 -0.94692E-03 5385 0.221E-01 0.215E-01 RMM: 4 -0.359851295462E+03 0.63919E-04 -0.12599E-03 4689 0.799E-02 0.206E-01 RMM: 5 -0.359851124669E+03 0.17079E-03 -0.24264E-04 3902 0.392E-02 0.144E-01 RMM: 6 -0.359850989192E+03 0.13548E-03 -0.86132E-05 3599 0.272E-02 0.356E-02 RMM: 7 -0.359851007524E+03 -0.18332E-04 -0.30436E-05 2774 0.162E-02 8923 T= 6353. E= 0.68273454E+03 F= 0.63018095E+03 E0= 0.65960044E+03 EK= 0.52554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359970716673E+03 -0.11973E+00 -0.14636E-01 7716 0.225E+01 0.265E-01 RMM: 2 -0.359983754283E+03 -0.13038E-01 -0.87736E-02 5028 0.696E-01 0.965E-01 RMM: 3 -0.359977434114E+03 0.63202E-02 -0.92415E-03 5476 0.203E-01 0.200E-01 RMM: 4 -0.359977618032E+03 -0.18392E-03 -0.12078E-03 4732 0.817E-02 0.277E-01 RMM: 5 -0.359977150816E+03 0.46722E-03 -0.31038E-04 3938 0.449E-02 0.114E-01 RMM: 6 -0.359977072995E+03 0.77820E-04 -0.68285E-05 3450 0.232E-02 0.489E-02 RMM: 7 -0.359977095077E+03 -0.22081E-04 -0.52635E-05 3238 0.199E-02 0.850E-02 RMM: 8 -0.359977048864E+03 0.46213E-04 -0.32713E-05 2917 0.183E-02 0.207E-02 RMM: 9 -0.359977053631E+03 -0.47676E-05 -0.10025E-05 2466 0.889E-03 8924 T= 5907. E= 0.67875400E+03 F= 0.62988459E+03 E0= 0.65930020E+03 EK= 0.48869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360227154385E+03 -0.25011E+00 -0.13891E-01 7836 0.218E+01 0.230E-01 RMM: 2 -0.360236009070E+03 -0.88547E-02 -0.77883E-02 5055 0.645E-01 0.634E-01 RMM: 3 -0.360233126398E+03 0.28827E-02 -0.74451E-03 5579 0.168E-01 0.170E-01 RMM: 4 -0.360233383478E+03 -0.25708E-03 -0.88473E-04 4669 0.727E-02 0.285E-01 RMM: 5 -0.360232862168E+03 0.52131E-03 -0.29568E-04 3961 0.443E-02 0.909E-02 RMM: 6 -0.360232814044E+03 0.48124E-04 -0.58210E-05 3339 0.219E-02 0.417E-02 RMM: 7 -0.360232828684E+03 -0.14641E-04 -0.27584E-05 2601 0.154E-02 8925 T= 5659. E= 0.67626839E+03 F= 0.62944989E+03 E0= 0.65887124E+03 EK= 0.46818E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360647150700E+03 -0.41434E+00 -0.13257E-01 8040 0.217E+01 0.221E-01 RMM: 2 -0.360654739269E+03 -0.75886E-02 -0.67433E-02 5073 0.606E-01 0.602E-01 RMM: 3 -0.360652295804E+03 0.24435E-02 -0.65970E-03 5693 0.160E-01 0.163E-01 RMM: 4 -0.360652468884E+03 -0.17308E-03 -0.73077E-04 4613 0.657E-02 0.259E-01 RMM: 5 -0.360652016160E+03 0.45272E-03 -0.25037E-04 3889 0.405E-02 0.692E-02 RMM: 6 -0.360652030185E+03 -0.14025E-04 -0.78164E-05 3565 0.243E-02 8926 T= 5665. E= 0.67570884E+03 F= 0.62884576E+03 E0= 0.65828198E+03 EK= 0.46863E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361223942038E+03 -0.57193E+00 -0.13896E-01 8172 0.219E+01 0.269E-01 RMM: 2 -0.361241911457E+03 -0.17969E-01 -0.78053E-02 5051 0.645E-01 0.133E+00 RMM: 3 -0.361229774376E+03 0.12137E-01 -0.91978E-03 5358 0.219E-01 0.214E-01 RMM: 4 -0.361229658388E+03 0.11599E-03 -0.11255E-03 4647 0.715E-02 0.182E-01 RMM: 5 -0.361229463927E+03 0.19446E-03 -0.26110E-04 3918 0.426E-02 0.110E-01 RMM: 6 -0.361229421475E+03 0.42452E-04 -0.10973E-04 3827 0.287E-02 0.808E-02 RMM: 7 -0.361229450265E+03 -0.28791E-04 -0.63142E-05 3446 0.225E-02 0.108E-01 RMM: 8 -0.361229372314E+03 0.77951E-04 -0.36151E-05 3043 0.193E-02 0.270E-02 RMM: 9 -0.361229371564E+03 0.75054E-06 -0.10449E-05 2461 0.917E-03 8927 T= 5918. E= 0.67704147E+03 F= 0.62808107E+03 E0= 0.65754155E+03 EK= 0.48960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361908605209E+03 -0.67923E+00 -0.15081E-01 8748 0.226E+01 0.265E-01 RMM: 2 -0.361929024078E+03 -0.20419E-01 -0.83949E-02 5274 0.661E-01 0.144E+00 RMM: 3 -0.361914821075E+03 0.14203E-01 -0.89807E-03 5373 0.219E-01 0.243E-01 RMM: 4 -0.361914478475E+03 0.34260E-03 -0.11398E-03 4661 0.721E-02 0.130E-01 RMM: 5 -0.361914404587E+03 0.73888E-04 -0.25893E-04 3911 0.446E-02 0.118E-01 RMM: 6 -0.361914334418E+03 0.70169E-04 -0.97074E-05 3768 0.277E-02 0.690E-02 RMM: 7 -0.361914368952E+03 -0.34534E-04 -0.65757E-05 3459 0.224E-02 0.104E-01 RMM: 8 -0.361914298355E+03 0.70597E-04 -0.35183E-05 3022 0.192E-02 0.252E-02 RMM: 9 -0.361914295385E+03 0.29701E-05 -0.70359E-06 2451 0.738E-03 8928 T= 6355. E= 0.67977986E+03 F= 0.62720954E+03 E0= 0.65670420E+03 EK= 0.52570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362607605153E+03 -0.69331E+00 -0.17357E-01 8832 0.235E+01 0.228E-01 RMM: 2 -0.362624737537E+03 -0.17132E-01 -0.11312E-01 5213 0.761E-01 0.107E+00 RMM: 3 -0.362616653782E+03 0.80838E-02 -0.10167E-02 5589 0.210E-01 0.199E-01 RMM: 4 -0.362616382100E+03 0.27168E-03 -0.84121E-04 4715 0.626E-02 0.134E-01 RMM: 5 -0.362616256237E+03 0.12586E-03 -0.22258E-04 3893 0.420E-02 0.998E-02 RMM: 6 -0.362616279922E+03 -0.23686E-04 -0.12488E-04 3869 0.296E-02 0.123E-01 RMM: 7 -0.362616235536E+03 0.44387E-04 -0.91113E-05 3787 0.265E-02 0.104E-01 RMM: 8 -0.362616164849E+03 0.70687E-04 -0.39568E-05 3111 0.189E-02 0.312E-02 RMM: 9 -0.362616164757E+03 0.92223E-07 -0.16839E-05 2491 0.117E-02 8929 T= 6836. E= 0.68287171E+03 F= 0.62632334E+03 E0= 0.65586101E+03 EK= 0.56548E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363211885610E+03 -0.59572E+00 -0.19588E-01 8916 0.242E+01 0.205E-01 RMM: 2 -0.363227380902E+03 -0.15495E-01 -0.12848E-01 5326 0.793E-01 0.827E-01 RMM: 3 -0.363222242234E+03 0.51387E-02 -0.10263E-02 5852 0.195E-01 0.176E-01 RMM: 4 -0.363221978635E+03 0.26360E-03 -0.69686E-04 4698 0.599E-02 0.149E-01 RMM: 5 -0.363221810976E+03 0.16766E-03 -0.19317E-04 3885 0.391E-02 0.822E-02 RMM: 6 -0.363221884759E+03 -0.73783E-04 -0.14260E-04 3876 0.314E-02 0.141E-01 RMM: 7 -0.363221777980E+03 0.10678E-03 -0.88688E-05 3794 0.272E-02 0.767E-02 RMM: 8 -0.363221738894E+03 0.39086E-04 -0.22522E-05 2627 0.141E-02 0.280E-02 RMM: 9 -0.363221737394E+03 0.15003E-05 -0.15580E-05 2461 0.114E-02 8930 T= 7167. E= 0.68482628E+03 F= 0.62553492E+03 E0= 0.65512240E+03 EK= 0.59291E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363624087574E+03 -0.40235E+00 -0.21716E-01 9084 0.245E+01 0.207E-01 RMM: 2 -0.363640655851E+03 -0.16568E-01 -0.13934E-01 5365 0.803E-01 0.807E-01 RMM: 3 -0.363635216688E+03 0.54392E-02 -0.10010E-02 5793 0.195E-01 0.184E-01 RMM: 4 -0.363634968235E+03 0.24845E-03 -0.74754E-04 4701 0.629E-02 0.155E-01 RMM: 5 -0.363634787723E+03 0.18051E-03 -0.23066E-04 3892 0.419E-02 0.894E-02 RMM: 6 -0.363634882665E+03 -0.94942E-04 -0.13794E-04 3875 0.309E-02 0.152E-01 RMM: 7 -0.363634756554E+03 0.12611E-03 -0.86870E-05 3768 0.260E-02 0.827E-02 RMM: 8 -0.363634712436E+03 0.44118E-04 -0.28554E-05 2887 0.159E-02 0.298E-02 RMM: 9 -0.363634712298E+03 0.13796E-06 -0.18225E-05 2483 0.122E-02 8931 T= 7190. E= 0.68442165E+03 F= 0.62493780E+03 E0= 0.65457856E+03 EK= 0.59484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363800362544E+03 -0.16565E+00 -0.22944E-01 9012 0.242E+01 0.213E-01 RMM: 2 -0.363816195430E+03 -0.15833E-01 -0.14217E-01 5445 0.778E-01 0.709E-01 RMM: 3 -0.363811188795E+03 0.50066E-02 -0.87744E-03 5897 0.188E-01 0.157E-01 RMM: 4 -0.363811156398E+03 0.32397E-04 -0.79272E-04 4685 0.648E-02 0.204E-01 RMM: 5 -0.363810878464E+03 0.27793E-03 -0.25173E-04 3900 0.430E-02 0.847E-02 RMM: 6 -0.363810916009E+03 -0.37545E-04 -0.13853E-04 3878 0.317E-02 0.116E-01 RMM: 7 -0.363810863991E+03 0.52017E-04 -0.64589E-05 3475 0.233E-02 0.828E-02 RMM: 8 -0.363810820058E+03 0.43934E-04 -0.21352E-05 2617 0.144E-02 0.254E-02 RMM: 9 -0.363810820075E+03 -0.17621E-07 -0.10220E-05 2452 0.893E-03 8932 T= 6892. E= 0.68159127E+03 F= 0.62457235E+03 E0= 0.65426635E+03 EK= 0.57019E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363762321439E+03 0.48499E-01 -0.23645E-01 8700 0.235E+01 0.232E-01 RMM: 2 -0.363777816638E+03 -0.15495E-01 -0.13910E-01 5613 0.752E-01 0.702E-01 RMM: 3 -0.363772799796E+03 0.50168E-02 -0.80252E-03 5598 0.186E-01 0.157E-01 RMM: 4 -0.363773070705E+03 -0.27091E-03 -0.10409E-03 4679 0.755E-02 0.281E-01 RMM: 5 -0.363772574620E+03 0.49608E-03 -0.33667E-04 4012 0.473E-02 0.919E-02 RMM: 6 -0.363772567709E+03 0.69113E-05 -0.95846E-05 3736 0.263E-02 8933 T= 6416. E= 0.67748972E+03 F= 0.62441248E+03 E0= 0.65415766E+03 EK= 0.53077E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363577516338E+03 0.19506E+00 -0.23671E-01 8424 0.227E+01 0.349E-01 RMM: 2 -0.363602272859E+03 -0.24757E-01 -0.14149E-01 5516 0.775E-01 0.142E+00 RMM: 3 -0.363587635919E+03 0.14637E-01 -0.13017E-02 5358 0.259E-01 0.276E-01 RMM: 4 -0.363587617258E+03 0.18661E-04 -0.17283E-03 4856 0.906E-02 0.287E-01 RMM: 5 -0.363587274390E+03 0.34287E-03 -0.43918E-04 4299 0.513E-02 0.196E-01 RMM: 6 -0.363587037979E+03 0.23641E-03 -0.20884E-04 3892 0.390E-02 0.756E-02 RMM: 7 -0.363587115566E+03 -0.77588E-04 -0.10353E-04 3818 0.269E-02 0.133E-01 RMM: 8 -0.363587001367E+03 0.11420E-03 -0.50330E-05 3272 0.213E-02 0.419E-02 RMM: 9 -0.363586993687E+03 0.76803E-05 -0.15606E-05 2512 0.114E-02 8934 T= 5955. E= 0.67365247E+03 F= 0.62438926E+03 E0= 0.65418120E+03 EK= 0.49263E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363322209036E+03 0.26479E+00 -0.22843E-01 8436 0.220E+01 0.329E-01 RMM: 2 -0.363345359873E+03 -0.23151E-01 -0.13289E-01 5394 0.754E-01 0.135E+00 RMM: 3 -0.363332057653E+03 0.13302E-01 -0.12844E-02 5357 0.257E-01 0.307E-01 RMM: 4 -0.363331771639E+03 0.28601E-03 -0.18253E-03 4879 0.940E-02 0.249E-01 RMM: 5 -0.363331559715E+03 0.21192E-03 -0.42231E-04 4369 0.522E-02 0.185E-01 RMM: 6 -0.363331341937E+03 0.21778E-03 -0.13628E-04 3879 0.316E-02 0.496E-02 RMM: 7 -0.363331366451E+03 -0.24514E-04 -0.46251E-05 3175 0.186E-02 0.814E-02 RMM: 8 -0.363331327550E+03 0.38901E-04 -0.30583E-05 2729 0.181E-02 0.310E-02 RMM: 9 -0.363331323125E+03 0.44251E-05 -0.84837E-06 2451 0.862E-03 8935 T= 5656. E= 0.67121731E+03 F= 0.62442605E+03 E0= 0.65426044E+03 EK= 0.46791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363056751815E+03 0.27458E+00 -0.22328E-01 8580 0.216E+01 0.296E-01 RMM: 2 -0.363076832015E+03 -0.20080E-01 -0.13001E-01 5559 0.731E-01 0.117E+00 RMM: 3 -0.363066348910E+03 0.10483E-01 -0.97250E-03 5406 0.214E-01 0.219E-01 RMM: 4 -0.363066607058E+03 -0.25815E-03 -0.15519E-03 4749 0.901E-02 0.315E-01 RMM: 5 -0.363066033109E+03 0.57395E-03 -0.43099E-04 4286 0.530E-02 0.134E-01 RMM: 6 -0.363065938106E+03 0.95003E-04 -0.10758E-04 3800 0.279E-02 0.668E-02 RMM: 7 -0.363065983199E+03 -0.45093E-04 -0.69270E-05 3504 0.225E-02 0.110E-01 RMM: 8 -0.363065904487E+03 0.78712E-04 -0.37177E-05 3066 0.195E-02 0.279E-02 RMM: 9 -0.363065903646E+03 0.84075E-06 -0.10388E-05 2469 0.893E-03 8936 T= 5594. E= 0.67074057E+03 F= 0.62446560E+03 E0= 0.65433781E+03 EK= 0.46275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362814538005E+03 0.25137E+00 -0.21844E-01 8652 0.218E+01 0.248E-01 RMM: 2 -0.362829871914E+03 -0.15334E-01 -0.12251E-01 5711 0.686E-01 0.843E-01 RMM: 3 -0.362823580534E+03 0.62914E-02 -0.77664E-03 5426 0.186E-01 0.163E-01 RMM: 4 -0.362823934518E+03 -0.35398E-03 -0.10800E-03 4673 0.758E-02 0.301E-01 RMM: 5 -0.362823367589E+03 0.56693E-03 -0.35146E-04 4035 0.483E-02 0.102E-01 RMM: 6 -0.362823340453E+03 0.27136E-04 -0.11084E-04 3811 0.284E-02 0.831E-02 RMM: 7 -0.362823358188E+03 -0.17735E-04 -0.51772E-05 3291 0.205E-02 8937 T= 5783. E= 0.67232260E+03 F= 0.62448000E+03 E0= 0.65438523E+03 EK= 0.47843E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362595551798E+03 0.22779E+00 -0.23610E-01 8940 0.224E+01 0.233E-01 RMM: 2 -0.362610902570E+03 -0.15351E-01 -0.13763E-01 5661 0.729E-01 0.685E-01 RMM: 3 -0.362606075974E+03 0.48266E-02 -0.79739E-03 5489 0.184E-01 0.189E-01 RMM: 4 -0.362606176680E+03 -0.10071E-03 -0.98059E-04 4677 0.725E-02 0.259E-01 RMM: 5 -0.362605782615E+03 0.39407E-03 -0.39638E-04 4333 0.534E-02 0.118E-01 RMM: 6 -0.362605766316E+03 0.16299E-04 -0.15862E-04 3886 0.325E-02 8938 T= 6187. E= 0.67565190E+03 F= 0.62447175E+03 E0= 0.65440576E+03 EK= 0.51180E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362377383744E+03 0.22840E+00 -0.25840E-01 8772 0.232E+01 0.349E-01 RMM: 2 -0.362414310883E+03 -0.36927E-01 -0.15498E-01 5414 0.802E-01 0.191E+00 RMM: 3 -0.362388916032E+03 0.25395E-01 -0.14820E-02 5366 0.281E-01 0.344E-01 RMM: 4 -0.362388147282E+03 0.76875E-03 -0.18169E-03 4754 0.884E-02 0.153E-01 RMM: 5 -0.362388143884E+03 0.33978E-05 -0.44541E-04 4532 0.562E-02 0.184E-01 RMM: 6 -0.362387958750E+03 0.18513E-03 -0.25270E-04 3890 0.431E-02 0.948E-02 RMM: 7 -0.362388067789E+03 -0.10904E-03 -0.17193E-04 3886 0.355E-02 0.161E-01 RMM: 8 -0.362387902372E+03 0.16542E-03 -0.89871E-05 3661 0.281E-02 0.443E-02 RMM: 9 -0.362387896074E+03 0.62982E-05 -0.15107E-05 2540 0.112E-02 8939 T= 6697. E= 0.67986889E+03 F= 0.62446892E+03 E0= 0.65442288E+03 EK= 0.55400E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362114077002E+03 0.27383E+00 -0.28418E-01 8856 0.240E+01 0.353E-01 RMM: 2 -0.362153756740E+03 -0.39680E-01 -0.16940E-01 5549 0.816E-01 0.194E+00 RMM: 3 -0.362126696031E+03 0.27061E-01 -0.14919E-02 5350 0.282E-01 0.348E-01 RMM: 4 -0.362125931977E+03 0.76405E-03 -0.19487E-03 4778 0.924E-02 0.151E-01 RMM: 5 -0.362125970846E+03 -0.38869E-04 -0.41889E-04 4451 0.537E-02 0.192E-01 RMM: 6 -0.362125734806E+03 0.23604E-03 -0.18276E-04 3881 0.368E-02 0.618E-02 RMM: 7 -0.362125819057E+03 -0.84252E-04 -0.10775E-04 3784 0.274E-02 0.131E-01 RMM: 8 -0.362125710585E+03 0.10847E-03 -0.48692E-05 3264 0.216E-02 0.332E-02 RMM: 9 -0.362125705282E+03 0.53027E-05 -0.97849E-06 2479 0.903E-03 8940 T= 7131. E= 0.68351202E+03 F= 0.62451553E+03 E0= 0.65448217E+03 EK= 0.58996E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361752577665E+03 0.37313E+00 -0.31277E-01 8868 0.245E+01 0.286E-01 RMM: 2 -0.361782737226E+03 -0.30160E-01 -0.18758E-01 5482 0.866E-01 0.142E+00 RMM: 3 -0.361767066111E+03 0.15671E-01 -0.12476E-02 5404 0.245E-01 0.260E-01 RMM: 4 -0.361766677472E+03 0.38864E-03 -0.14167E-03 4729 0.782E-02 0.156E-01 RMM: 5 -0.361766545119E+03 0.13235E-03 -0.45307E-04 4567 0.594E-02 0.138E-01 RMM: 6 -0.361766525545E+03 0.19573E-04 -0.20029E-04 3881 0.368E-02 0.132E-01 RMM: 7 -0.361766502535E+03 0.23010E-04 -0.12043E-04 3878 0.310E-02 0.123E-01 RMM: 8 -0.361766407598E+03 0.94937E-04 -0.54762E-05 3348 0.216E-02 0.394E-02 RMM: 9 -0.361766405304E+03 0.22936E-05 -0.14114E-05 2502 0.105E-02 8941 T= 7295. E= 0.68500951E+03 F= 0.62466164E+03 E0= 0.65463096E+03 EK= 0.60348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361257476095E+03 0.50893E+00 -0.32840E-01 8784 0.245E+01 0.236E-01 RMM: 2 -0.361278327201E+03 -0.20851E-01 -0.18680E-01 5762 0.853E-01 0.749E-01 RMM: 3 -0.361272249160E+03 0.60780E-02 -0.98863E-03 5435 0.213E-01 0.172E-01 RMM: 4 -0.361272366418E+03 -0.11726E-03 -0.10762E-03 4751 0.729E-02 0.243E-01 RMM: 5 -0.361271984167E+03 0.38225E-03 -0.34879E-04 4186 0.494E-02 0.976E-02 RMM: 6 -0.361272021683E+03 -0.37517E-04 -0.17066E-04 3878 0.345E-02 0.125E-01 RMM: 7 -0.361271965575E+03 0.56108E-04 -0.65886E-05 3512 0.244E-02 0.909E-02 RMM: 8 -0.361271913242E+03 0.52333E-04 -0.24614E-05 2750 0.154E-02 0.275E-02 RMM: 9 -0.361271915893E+03 -0.26507E-05 -0.12416E-05 2474 0.100E-02 8942 T= 7101. E= 0.68368710E+03 F= 0.62494087E+03 E0= 0.65490348E+03 EK= 0.58746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360621635122E+03 0.65028E+00 -0.31162E-01 8736 0.240E+01 0.246E-01 RMM: 2 -0.360640642850E+03 -0.19008E-01 -0.17423E-01 5855 0.818E-01 0.704E-01 RMM: 3 -0.360635279840E+03 0.53630E-02 -0.84496E-03 5441 0.200E-01 0.185E-01 RMM: 4 -0.360635549655E+03 -0.26982E-03 -0.12179E-03 4744 0.814E-02 0.292E-01 RMM: 5 -0.360635022595E+03 0.52706E-03 -0.41490E-04 4303 0.532E-02 0.111E-01 RMM: 6 -0.360635008522E+03 0.14073E-04 -0.13074E-04 3878 0.300E-02 8943 T= 6644. E= 0.68031768E+03 F= 0.62535580E+03 E0= 0.65530482E+03 EK= 0.54962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359864826849E+03 0.77020E+00 -0.28816E-01 8736 0.233E+01 0.378E-01 RMM: 2 -0.359894227222E+03 -0.29400E-01 -0.16914E-01 5484 0.835E-01 0.152E+00 RMM: 3 -0.359877020076E+03 0.17207E-01 -0.14291E-02 5360 0.277E-01 0.286E-01 RMM: 4 -0.359877105077E+03 -0.85001E-04 -0.20443E-03 4989 0.986E-02 0.320E-01 RMM: 5 -0.359876605523E+03 0.49955E-03 -0.51157E-04 4500 0.548E-02 0.201E-01 RMM: 6 -0.359876379516E+03 0.22601E-03 -0.23726E-04 3882 0.403E-02 0.839E-02 RMM: 7 -0.359876464539E+03 -0.85023E-04 -0.11730E-04 3855 0.287E-02 0.145E-01 RMM: 8 -0.359876337068E+03 0.12747E-03 -0.62376E-05 3454 0.234E-02 0.515E-02 RMM: 9 -0.359876323654E+03 0.13414E-04 -0.16213E-05 2540 0.117E-02 8944 T= 6121. E= 0.67651714E+03 F= 0.62588272E+03 E0= 0.65581163E+03 EK= 0.50634E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359021177379E+03 0.85516E+00 -0.25539E-01 8760 0.226E+01 0.357E-01 RMM: 2 -0.359048280049E+03 -0.27103E-01 -0.14555E-01 5555 0.767E-01 0.151E+00 RMM: 3 -0.359031464545E+03 0.16816E-01 -0.12008E-02 5354 0.254E-01 0.325E-01 RMM: 4 -0.359031220102E+03 0.24444E-03 -0.21067E-03 4871 0.102E-01 0.287E-01 RMM: 5 -0.359030954065E+03 0.26604E-03 -0.45025E-04 4373 0.541E-02 0.215E-01 RMM: 6 -0.359030651076E+03 0.30299E-03 -0.15510E-04 3880 0.333E-02 0.472E-02 RMM: 7 -0.359030684045E+03 -0.32969E-04 -0.56930E-05 3342 0.201E-02 0.900E-02 RMM: 8 -0.359030635274E+03 0.48771E-04 -0.35534E-05 2948 0.186E-02 0.333E-02 RMM: 9 -0.359030630164E+03 0.51100E-05 -0.11007E-05 2469 0.963E-03 8945 T= 5712. E= 0.67374214E+03 F= 0.62648650E+03 E0= 0.65639521E+03 EK= 0.47256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358123918675E+03 0.90672E+00 -0.22843E-01 8892 0.221E+01 0.341E-01 RMM: 2 -0.358147171803E+03 -0.23253E-01 -0.13484E-01 5450 0.754E-01 0.136E+00 RMM: 3 -0.358133353656E+03 0.13818E-01 -0.10296E-02 5376 0.226E-01 0.246E-01 RMM: 4 -0.358133794055E+03 -0.44040E-03 -0.19482E-03 4798 0.102E-01 0.370E-01 RMM: 5 -0.358132996590E+03 0.79747E-03 -0.52721E-04 4405 0.575E-02 0.157E-01 RMM: 6 -0.358132850082E+03 0.14651E-03 -0.12053E-04 3855 0.287E-02 0.607E-02 RMM: 7 -0.358132907293E+03 -0.57211E-04 -0.90881E-05 3736 0.247E-02 0.118E-01 RMM: 8 -0.358132820427E+03 0.86865E-04 -0.46399E-05 3211 0.208E-02 0.399E-02 RMM: 9 -0.358132813123E+03 0.73045E-05 -0.13910E-05 2498 0.106E-02 8946 T= 5525. E= 0.67284248E+03 F= 0.62713511E+03 E0= 0.65702481E+03 EK= 0.45707E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357210447125E+03 0.92237E+00 -0.20654E-01 8916 0.222E+01 0.314E-01 RMM: 2 -0.357227503913E+03 -0.17057E-01 -0.11871E-01 5516 0.707E-01 0.109E+00 RMM: 3 -0.357218770416E+03 0.87335E-02 -0.87562E-03 5397 0.203E-01 0.217E-01 RMM: 4 -0.357219324673E+03 -0.55426E-03 -0.15118E-03 4686 0.893E-02 0.372E-01 RMM: 5 -0.357218487469E+03 0.83720E-03 -0.42908E-04 4101 0.518E-02 0.146E-01 RMM: 6 -0.357218362214E+03 0.12525E-03 -0.13492E-04 3876 0.312E-02 0.640E-02 RMM: 7 -0.357218419562E+03 -0.57348E-04 -0.75305E-05 3570 0.232E-02 0.118E-01 RMM: 8 -0.357218325350E+03 0.94213E-04 -0.47012E-05 3208 0.204E-02 0.303E-02 RMM: 9 -0.357218324144E+03 0.12057E-05 -0.14405E-05 2500 0.108E-02 8947 T= 5601. E= 0.67413703E+03 F= 0.62779833E+03 E0= 0.65767237E+03 EK= 0.46339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356317046674E+03 0.90128E+00 -0.19734E-01 9000 0.226E+01 0.286E-01 RMM: 2 -0.356333808993E+03 -0.16762E-01 -0.12288E-01 5329 0.744E-01 0.986E-01 RMM: 3 -0.356326318525E+03 0.74905E-02 -0.96799E-03 5422 0.210E-01 0.218E-01 RMM: 4 -0.356326608538E+03 -0.29001E-03 -0.14920E-03 4758 0.897E-02 0.314E-01 RMM: 5 -0.356325985083E+03 0.62346E-03 -0.42165E-04 4177 0.521E-02 0.118E-01 RMM: 6 -0.356325918647E+03 0.66436E-04 -0.10410E-04 3771 0.273E-02 0.712E-02 RMM: 7 -0.356325959579E+03 -0.40932E-04 -0.68627E-05 3507 0.218E-02 0.112E-01 RMM: 8 -0.356325877006E+03 0.82573E-04 -0.39492E-05 3079 0.197E-02 0.286E-02 RMM: 9 -0.356325877268E+03 -0.26173E-06 -0.12463E-05 2482 0.980E-03 8948 T= 5935. E= 0.67754539E+03 F= 0.62844328E+03 E0= 0.65830609E+03 EK= 0.49102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355489162520E+03 0.83671E+00 -0.18990E-01 8760 0.234E+01 0.286E-01 RMM: 2 -0.355506842782E+03 -0.17680E-01 -0.11416E-01 5411 0.727E-01 0.113E+00 RMM: 3 -0.355497653374E+03 0.91894E-02 -0.95435E-03 5479 0.207E-01 0.227E-01 RMM: 4 -0.355497677615E+03 -0.24241E-04 -0.13017E-03 4692 0.814E-02 0.259E-01 RMM: 5 -0.355497314234E+03 0.36338E-03 -0.33812E-04 3977 0.466E-02 0.147E-01 RMM: 6 -0.355497198864E+03 0.11537E-03 -0.14387E-04 3878 0.332E-02 0.757E-02 RMM: 7 -0.355497269834E+03 -0.70970E-04 -0.86668E-05 3650 0.248E-02 0.133E-01 RMM: 8 -0.355497153529E+03 0.11631E-03 -0.50783E-05 3266 0.218E-02 0.304E-02 RMM: 9 -0.355497151501E+03 0.20280E-05 -0.12350E-05 2485 0.986E-03 8949 T= 6463. E= 0.68249694E+03 F= 0.62903266E+03 E0= 0.65888953E+03 EK= 0.53464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354754538129E+03 0.74262E+00 -0.18799E-01 8592 0.243E+01 0.270E-01 RMM: 2 -0.354772254356E+03 -0.17716E-01 -0.10457E-01 5307 0.718E-01 0.118E+00 RMM: 3 -0.354762380336E+03 0.98740E-02 -0.93820E-03 5467 0.206E-01 0.207E-01 RMM: 4 -0.354762304184E+03 0.76152E-04 -0.11565E-03 4649 0.761E-02 0.213E-01 RMM: 5 -0.354762073331E+03 0.23085E-03 -0.34927E-04 4220 0.495E-02 0.143E-01 RMM: 6 -0.354761981542E+03 0.91789E-04 -0.14788E-04 3880 0.327E-02 0.851E-02 RMM: 7 -0.354762034824E+03 -0.53282E-04 -0.86291E-05 3665 0.255E-02 0.128E-01 RMM: 8 -0.354761927569E+03 0.10726E-03 -0.46353E-05 3219 0.210E-02 0.309E-02 RMM: 9 -0.354761925973E+03 0.15956E-05 -0.11622E-05 2484 0.942E-03 8950 T= 7031. E= 0.68770282E+03 F= 0.62953800E+03 E0= 0.65939437E+03 EK= 0.58165E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354110558298E+03 0.65137E+00 -0.19480E-01 8148 0.251E+01 0.241E-01 RMM: 2 -0.354124558692E+03 -0.14000E-01 -0.92209E-02 5272 0.699E-01 0.102E+00 RMM: 3 -0.354117541281E+03 0.70174E-02 -0.80968E-03 5469 0.193E-01 0.190E-01 RMM: 4 -0.354117436100E+03 0.10518E-03 -0.88541E-04 4659 0.674E-02 0.185E-01 RMM: 5 -0.354117237223E+03 0.19888E-03 -0.32303E-04 4191 0.494E-02 0.123E-01 RMM: 6 -0.354117218378E+03 0.18845E-04 -0.17101E-04 3884 0.350E-02 8951 T= 7411. E= 0.69126526E+03 F= 0.62996017E+03 E0= 0.65982211E+03 EK= 0.61305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353515292125E+03 0.60195E+00 -0.20499E-01 7872 0.253E+01 0.440E-01 RMM: 2 -0.353559555151E+03 -0.44263E-01 -0.11009E-01 5240 0.805E-01 0.235E+00 RMM: 3 -0.353522507235E+03 0.37048E-01 -0.19881E-02 5343 0.351E-01 0.397E-01 RMM: 4 -0.353521500019E+03 0.10072E-02 -0.22456E-03 4903 0.974E-02 0.167E-01 RMM: 5 -0.353521507602E+03 -0.75833E-05 -0.53217E-04 4579 0.594E-02 0.213E-01 RMM: 6 -0.353521265203E+03 0.24240E-03 -0.38634E-04 4346 0.535E-02 0.116E-01 RMM: 7 -0.353521385138E+03 -0.11993E-03 -0.20391E-04 3884 0.376E-02 0.181E-01 RMM: 8 -0.353521185692E+03 0.19945E-03 -0.11391E-04 3834 0.326E-02 0.592E-02 RMM: 9 -0.353521169016E+03 0.16675E-04 -0.22099E-05 2711 0.139E-02 8952 T= 7408. E= 0.69162227E+03 F= 0.63033620E+03 E0= 0.66020711E+03 EK= 0.61286E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352914975009E+03 0.60621E+00 -0.20689E-01 8028 0.249E+01 0.385E-01 RMM: 2 -0.352957584636E+03 -0.42610E-01 -0.10912E-01 5121 0.758E-01 0.228E+00 RMM: 3 -0.352922711236E+03 0.34873E-01 -0.16942E-02 5343 0.319E-01 0.384E-01 RMM: 4 -0.352921745049E+03 0.96619E-03 -0.21579E-03 5095 0.992E-02 0.168E-01 RMM: 5 -0.352921814591E+03 -0.69542E-04 -0.46308E-04 4467 0.550E-02 0.211E-01 RMM: 6 -0.352921519482E+03 0.29511E-03 -0.21069E-04 3892 0.396E-02 0.654E-02 RMM: 7 -0.352921598817E+03 -0.79335E-04 -0.11050E-04 3861 0.278E-02 0.129E-01 RMM: 8 -0.352921493803E+03 0.10501E-03 -0.50269E-05 3268 0.216E-02 0.369E-02 RMM: 9 -0.352921487638E+03 0.61650E-05 -0.11288E-05 2489 0.988E-03 8953 T= 7017. E= 0.68876468E+03 F= 0.63071242E+03 E0= 0.66059632E+03 EK= 0.58052E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352282981346E+03 0.63851E+00 -0.20492E-01 8256 0.240E+01 0.325E-01 RMM: 2 -0.352305459733E+03 -0.22478E-01 -0.12053E-01 5104 0.777E-01 0.138E+00 RMM: 3 -0.352292189584E+03 0.13270E-01 -0.12463E-02 5361 0.253E-01 0.286E-01 RMM: 4 -0.352291923072E+03 0.26651E-03 -0.16457E-03 4944 0.898E-02 0.233E-01 RMM: 5 -0.352291702150E+03 0.22092E-03 -0.47569E-04 4552 0.571E-02 0.183E-01 RMM: 6 -0.352291527281E+03 0.17487E-03 -0.18909E-04 3881 0.361E-02 0.920E-02 RMM: 7 -0.352291608278E+03 -0.80997E-04 -0.12139E-04 3876 0.299E-02 0.148E-01 RMM: 8 -0.352291469364E+03 0.13891E-03 -0.60211E-05 3391 0.231E-02 0.366E-02 RMM: 9 -0.352291467396E+03 0.19671E-05 -0.13715E-05 2509 0.104E-02 8954 T= 6426. E= 0.68426878E+03 F= 0.63111046E+03 E0= 0.66100844E+03 EK= 0.53158E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351630553303E+03 0.66092E+00 -0.19209E-01 8508 0.229E+01 0.302E-01 RMM: 2 -0.351647247789E+03 -0.16694E-01 -0.10907E-01 5270 0.699E-01 0.111E+00 RMM: 3 -0.351638358358E+03 0.88894E-02 -0.90586E-03 5378 0.215E-01 0.254E-01 RMM: 4 -0.351638454611E+03 -0.96253E-04 -0.14138E-03 4846 0.883E-02 0.297E-01 RMM: 5 -0.351638007420E+03 0.44719E-03 -0.42706E-04 4460 0.539E-02 0.174E-01 RMM: 6 -0.351637831495E+03 0.17593E-03 -0.17406E-04 3888 0.353E-02 0.724E-02 RMM: 7 -0.351637905972E+03 -0.74477E-04 -0.92608E-05 3710 0.259E-02 0.132E-01 RMM: 8 -0.351637792455E+03 0.11352E-03 -0.50732E-05 3265 0.217E-02 0.344E-02 RMM: 9 -0.351637788914E+03 0.35411E-05 -0.13461E-05 2495 0.105E-02 8955 T= 5870. E= 0.68008474E+03 F= 0.63152114E+03 E0= 0.66143335E+03 EK= 0.48564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350969868495E+03 0.66792E+00 -0.19316E-01 8628 0.221E+01 0.299E-01 RMM: 2 -0.350986414235E+03 -0.16546E-01 -0.11763E-01 5280 0.710E-01 0.102E+00 RMM: 3 -0.350978307847E+03 0.81064E-02 -0.91158E-03 5420 0.209E-01 0.219E-01 RMM: 4 -0.350978683675E+03 -0.37583E-03 -0.14484E-03 4843 0.904E-02 0.343E-01 RMM: 5 -0.350977987001E+03 0.69667E-03 -0.48208E-04 4492 0.569E-02 0.150E-01 RMM: 6 -0.350977874540E+03 0.11246E-03 -0.14733E-04 3881 0.317E-02 0.817E-02 RMM: 7 -0.350977926830E+03 -0.52290E-04 -0.96593E-05 3756 0.266E-02 0.125E-01 RMM: 8 -0.350977824427E+03 0.10240E-03 -0.49036E-05 3260 0.212E-02 0.291E-02 RMM: 9 -0.350977824685E+03 -0.25784E-06 -0.12465E-05 2493 0.987E-03 8956 T= 5515. E= 0.67755005E+03 F= 0.63192818E+03 E0= 0.66185322E+03 EK= 0.45622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350306371180E+03 0.67145E+00 -0.18932E-01 8916 0.216E+01 0.294E-01 RMM: 2 -0.350322914051E+03 -0.16543E-01 -0.11639E-01 5378 0.672E-01 0.104E+00 RMM: 3 -0.350314638823E+03 0.82752E-02 -0.77840E-03 5387 0.194E-01 0.235E-01 RMM: 4 -0.350314871235E+03 -0.23241E-03 -0.13497E-03 4681 0.868E-02 0.316E-01 RMM: 5 -0.350314296987E+03 0.57425E-03 -0.41736E-04 4276 0.523E-02 0.156E-01 RMM: 6 -0.350314169876E+03 0.12711E-03 -0.15699E-04 3884 0.337E-02 0.790E-02 RMM: 7 -0.350314228815E+03 -0.58939E-04 -0.93544E-05 3742 0.261E-02 0.128E-01 RMM: 8 -0.350314120915E+03 0.10790E-03 -0.50069E-05 3267 0.215E-02 0.297E-02 RMM: 9 -0.350314119982E+03 0.93292E-06 -0.12414E-05 2493 0.995E-03 8957 T= 5432. E= 0.67727377E+03 F= 0.63233353E+03 E0= 0.66227006E+03 EK= 0.44940E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349612941713E+03 0.70118E+00 -0.21215E-01 8868 0.217E+01 0.271E-01 RMM: 2 -0.349631051753E+03 -0.18110E-01 -0.13403E-01 5544 0.689E-01 0.993E-01 RMM: 3 -0.349622692824E+03 0.83589E-02 -0.78945E-03 5414 0.190E-01 0.210E-01 RMM: 4 -0.349622870410E+03 -0.17759E-03 -0.12471E-03 4653 0.824E-02 0.286E-01 RMM: 5 -0.349622397487E+03 0.47292E-03 -0.40978E-04 4220 0.525E-02 0.147E-01 RMM: 6 -0.349622301112E+03 0.96375E-04 -0.16287E-04 3884 0.337E-02 0.917E-02 RMM: 7 -0.349622339970E+03 -0.38858E-04 -0.99678E-05 3784 0.274E-02 0.125E-01 RMM: 8 -0.349622238166E+03 0.10180E-03 -0.48522E-05 3257 0.211E-02 0.290E-02 RMM: 9 -0.349622238452E+03 -0.28601E-06 -0.11513E-05 2487 0.946E-03 8958 T= 5635. E= 0.67938491E+03 F= 0.63276800E+03 E0= 0.66271447E+03 EK= 0.46617E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348835148692E+03 0.78709E+00 -0.26405E-01 9072 0.223E+01 0.270E-01 RMM: 2 -0.348856237248E+03 -0.21089E-01 -0.16046E-01 5493 0.763E-01 0.103E+00 RMM: 3 -0.348847265413E+03 0.89718E-02 -0.10356E-02 5585 0.204E-01 0.222E-01 RMM: 4 -0.348847119300E+03 0.14611E-03 -0.11538E-03 4674 0.769E-02 0.222E-01 RMM: 5 -0.348846838330E+03 0.28097E-03 -0.37888E-04 4259 0.513E-02 0.137E-01 RMM: 6 -0.348846787608E+03 0.50722E-04 -0.17516E-04 3884 0.352E-02 0.109E-01 RMM: 7 -0.348846811068E+03 -0.23460E-04 -0.99128E-05 3785 0.272E-02 0.130E-01 RMM: 8 -0.348846700431E+03 0.11064E-03 -0.50827E-05 3297 0.211E-02 0.336E-02 RMM: 9 -0.348846698434E+03 0.19971E-05 -0.13607E-05 2499 0.104E-02 8959 T= 6083. E= 0.68361768E+03 F= 0.63329311E+03 E0= 0.66324801E+03 EK= 0.50325E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347892226088E+03 0.95447E+00 -0.34468E-01 8976 0.233E+01 0.257E-01 RMM: 2 -0.347918146640E+03 -0.25921E-01 -0.20034E-01 5593 0.846E-01 0.108E+00 RMM: 3 -0.347907923289E+03 0.10223E-01 -0.11881E-02 5499 0.218E-01 0.215E-01 RMM: 4 -0.347907750725E+03 0.17256E-03 -0.12147E-03 4719 0.758E-02 0.204E-01 RMM: 5 -0.347907490386E+03 0.26034E-03 -0.37092E-04 4239 0.513E-02 0.127E-01 RMM: 6 -0.347907484726E+03 0.56591E-05 -0.19282E-04 3885 0.357E-02 8960 T= 6663. E= 0.68911727E+03 F= 0.63399242E+03 E0= 0.66395291E+03 EK= 0.55125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346707576168E+03 0.11999E+01 -0.44919E-01 8892 0.242E+01 0.483E-01 RMM: 2 -0.346774022066E+03 -0.66446E-01 -0.24720E-01 5490 0.981E-01 0.261E+00 RMM: 3 -0.346726139181E+03 0.47883E-01 -0.26942E-02 5343 0.380E-01 0.428E-01 RMM: 4 -0.346724975820E+03 0.11634E-02 -0.32011E-03 5142 0.110E-01 0.194E-01 RMM: 5 -0.346724912324E+03 0.63496E-04 -0.62385E-04 4546 0.620E-02 0.224E-01 RMM: 6 -0.346724645808E+03 0.26652E-03 -0.41935E-04 4361 0.545E-02 0.126E-01 RMM: 7 -0.346724842750E+03 -0.19694E-03 -0.26151E-04 3906 0.419E-02 0.215E-01 RMM: 8 -0.346724556566E+03 0.28618E-03 -0.15343E-04 3889 0.359E-02 0.723E-02 RMM: 9 -0.346724532731E+03 0.23835E-04 -0.34194E-05 3018 0.164E-02 0.490E-02 RMM: 10 -0.346724535444E+03 -0.27130E-05 -0.25773E-05 2580 0.145E-02 8961 T= 7172. E= 0.69427499E+03 F= 0.63494597E+03 E0= 0.66490933E+03 EK= 0.59329E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345234352108E+03 0.14902E+01 -0.56515E-01 8784 0.248E+01 0.431E-01 RMM: 2 -0.345292631485E+03 -0.58279E-01 -0.27733E-01 5551 0.103E+00 0.225E+00 RMM: 3 -0.345256077784E+03 0.36554E-01 -0.23597E-02 5351 0.352E-01 0.456E-01 RMM: 4 -0.345254716778E+03 0.13610E-02 -0.32267E-03 5208 0.117E-01 0.175E-01 RMM: 5 -0.345254730240E+03 -0.13462E-04 -0.62663E-04 4566 0.639E-02 0.207E-01 RMM: 6 -0.345254450912E+03 0.27933E-03 -0.22398E-04 3885 0.378E-02 0.746E-02 RMM: 7 -0.345254565531E+03 -0.11462E-03 -0.12835E-04 3879 0.287E-02 0.153E-01 RMM: 8 -0.345254417520E+03 0.14801E-03 -0.67235E-05 3508 0.239E-02 0.468E-02 RMM: 9 -0.345254406884E+03 0.10635E-04 -0.16440E-05 2532 0.118E-02 8962 T= 7376. E= 0.69721176E+03 F= 0.63619390E+03 E0= 0.66615600E+03 EK= 0.61018E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343507210597E+03 0.17472E+01 -0.64708E-01 8664 0.247E+01 0.338E-01 RMM: 2 -0.343544881483E+03 -0.37671E-01 -0.26374E-01 6212 0.983E-01 0.144E+00 RMM: 3 -0.343528411641E+03 0.16470E-01 -0.12755E-02 5402 0.246E-01 0.252E-01 RMM: 4 -0.343528380342E+03 0.31299E-04 -0.17812E-03 4785 0.922E-02 0.279E-01 RMM: 5 -0.343527996468E+03 0.38387E-03 -0.49352E-04 4457 0.559E-02 0.184E-01 RMM: 6 -0.343527839991E+03 0.15648E-03 -0.25419E-04 3891 0.413E-02 0.112E-01 RMM: 7 -0.343527935899E+03 -0.95909E-04 -0.15901E-04 3884 0.334E-02 0.169E-01 RMM: 8 -0.343527748979E+03 0.18692E-03 -0.85044E-05 3609 0.265E-02 0.353E-02 RMM: 9 -0.343527750703E+03 -0.17240E-05 -0.18101E-05 2545 0.120E-02 8963 T= 7169. E= 0.69700537E+03 F= 0.63770038E+03 E0= 0.66765830E+03 EK= 0.59305E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341635173798E+03 0.18926E+01 -0.66442E-01 8772 0.242E+01 0.326E-01 RMM: 2 -0.341669035003E+03 -0.33861E-01 -0.26291E-01 6137 0.100E+00 0.124E+00 RMM: 3 -0.341656545337E+03 0.12490E-01 -0.13242E-02 5482 0.248E-01 0.247E-01 RMM: 4 -0.341656669895E+03 -0.12456E-03 -0.17995E-03 4898 0.940E-02 0.313E-01 RMM: 5 -0.341656137986E+03 0.53191E-03 -0.47954E-04 4468 0.550E-02 0.166E-01 RMM: 6 -0.341655978347E+03 0.15964E-03 -0.17300E-04 3876 0.340E-02 0.721E-02 RMM: 7 -0.341656070271E+03 -0.91925E-04 -0.10433E-04 3823 0.266E-02 0.142E-01 RMM: 8 -0.341655938862E+03 0.13141E-03 -0.53058E-05 3319 0.216E-02 0.337E-02 RMM: 9 -0.341655935671E+03 0.31902E-05 -0.13416E-05 2501 0.104E-02 8964 T= 6660. E= 0.69444577E+03 F= 0.63934890E+03 E0= 0.66930007E+03 EK= 0.55097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339774420513E+03 0.18815E+01 -0.61384E-01 8844 0.233E+01 0.348E-01 RMM: 2 -0.339808272019E+03 -0.33852E-01 -0.25840E-01 5795 0.102E+00 0.128E+00 RMM: 3 -0.339795162366E+03 0.13110E-01 -0.16077E-02 5522 0.264E-01 0.227E-01 RMM: 4 -0.339795655995E+03 -0.49363E-03 -0.21850E-03 5101 0.107E-01 0.385E-01 RMM: 5 -0.339794789683E+03 0.86631E-03 -0.53871E-04 4438 0.568E-02 0.172E-01 RMM: 6 -0.339794616349E+03 0.17333E-03 -0.17842E-04 3885 0.344E-02 0.740E-02 RMM: 7 -0.339794681544E+03 -0.65195E-04 -0.11163E-04 3857 0.273E-02 0.128E-01 RMM: 8 -0.339794572469E+03 0.10908E-03 -0.56953E-05 3350 0.221E-02 0.272E-02 RMM: 9 -0.339794573752E+03 -0.12837E-05 -0.12726E-05 2498 0.101E-02 8965 T= 6087. E= 0.69133375E+03 F= 0.64098069E+03 E0= 0.67092301E+03 EK= 0.50353E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338081907307E+03 0.17127E+01 -0.50527E-01 8808 0.225E+01 0.342E-01 RMM: 2 -0.338110442765E+03 -0.28535E-01 -0.22770E-01 5737 0.960E-01 0.114E+00 RMM: 3 -0.338099796036E+03 0.10647E-01 -0.14344E-02 5497 0.248E-01 0.248E-01 RMM: 4 -0.338100335743E+03 -0.53971E-03 -0.20546E-03 4986 0.104E-01 0.405E-01 RMM: 5 -0.338099313741E+03 0.10220E-02 -0.60058E-04 4577 0.618E-02 0.144E-01 RMM: 6 -0.338099196814E+03 0.11693E-03 -0.14011E-04 3871 0.296E-02 0.677E-02 RMM: 7 -0.338099268671E+03 -0.71857E-04 -0.94749E-05 3792 0.249E-02 0.129E-01 RMM: 8 -0.338099158433E+03 0.11024E-03 -0.53111E-05 3295 0.214E-02 0.282E-02 RMM: 9 -0.338099160118E+03 -0.16854E-05 -0.13301E-05 2499 0.103E-02 8966 T= 5660. E= 0.68926236E+03 F= 0.64244028E+03 E0= 0.67237186E+03 EK= 0.46822E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336679769708E+03 0.14194E+01 -0.38277E-01 8736 0.221E+01 0.323E-01 RMM: 2 -0.336701678087E+03 -0.21908E-01 -0.18345E-01 5903 0.852E-01 0.971E-01 RMM: 3 -0.336693808598E+03 0.78695E-02 -0.10142E-02 5459 0.211E-01 0.245E-01 RMM: 4 -0.336694173084E+03 -0.36449E-03 -0.17547E-03 4741 0.966E-02 0.358E-01 RMM: 5 -0.336693403318E+03 0.76977E-03 -0.51731E-04 4333 0.563E-02 0.154E-01 RMM: 6 -0.336693269998E+03 0.13332E-03 -0.14151E-04 3878 0.313E-02 0.742E-02 RMM: 7 -0.336693333779E+03 -0.63781E-04 -0.10545E-04 3800 0.264E-02 0.128E-01 RMM: 8 -0.336693226583E+03 0.10720E-03 -0.57169E-05 3344 0.223E-02 0.328E-02 RMM: 9 -0.336693223390E+03 0.31934E-05 -0.13966E-05 2494 0.107E-02 8967 T= 5500. E= 0.68911064E+03 F= 0.64360736E+03 E0= 0.67352655E+03 EK= 0.45503E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335647410975E+03 0.10458E+01 -0.29514E-01 8700 0.222E+01 0.312E-01 RMM: 2 -0.335670867939E+03 -0.23457E-01 -0.15795E-01 5743 0.811E-01 0.122E+00 RMM: 3 -0.335659542070E+03 0.11326E-01 -0.10256E-02 5421 0.218E-01 0.234E-01 RMM: 4 -0.335659761095E+03 -0.21902E-03 -0.16255E-03 4744 0.914E-02 0.315E-01 RMM: 5 -0.335659170837E+03 0.59026E-03 -0.45777E-04 4361 0.545E-02 0.145E-01 RMM: 6 -0.335659059873E+03 0.11096E-03 -0.13558E-04 3863 0.305E-02 0.777E-02 RMM: 7 -0.335659120273E+03 -0.60400E-04 -0.10416E-04 3811 0.263E-02 0.126E-01 RMM: 8 -0.335659018154E+03 0.10212E-03 -0.57141E-05 3351 0.227E-02 0.399E-02 RMM: 9 -0.335659010371E+03 0.77830E-05 -0.13165E-05 2497 0.105E-02 8968 T= 5653. E= 0.69116764E+03 F= 0.64440496E+03 E0= 0.67431008E+03 EK= 0.46763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335020625154E+03 0.63839E+00 -0.24079E-01 8880 0.229E+01 0.271E-01 RMM: 2 -0.335040000012E+03 -0.19375E-01 -0.13557E-01 5752 0.763E-01 0.108E+00 RMM: 3 -0.335031144045E+03 0.88560E-02 -0.84807E-03 5398 0.201E-01 0.220E-01 RMM: 4 -0.335031129242E+03 0.14803E-04 -0.12186E-03 4634 0.783E-02 0.235E-01 RMM: 5 -0.335030848414E+03 0.28083E-03 -0.33222E-04 3968 0.466E-02 0.150E-01 RMM: 6 -0.335030737651E+03 0.11076E-03 -0.16082E-04 3877 0.348E-02 0.859E-02 RMM: 7 -0.335030807272E+03 -0.69621E-04 -0.10182E-04 3743 0.266E-02 0.138E-01 RMM: 8 -0.335030683086E+03 0.12419E-03 -0.56764E-05 3348 0.229E-02 0.320E-02 RMM: 9 -0.335030681247E+03 0.18383E-05 -0.13176E-05 2496 0.104E-02 8969 T= 6099. E= 0.69525651E+03 F= 0.64480406E+03 E0= 0.67469310E+03 EK= 0.50452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334774153102E+03 0.25653E+00 -0.22069E-01 8664 0.241E+01 0.267E-01 RMM: 2 -0.334797888598E+03 -0.23735E-01 -0.13865E-01 5330 0.823E-01 0.132E+00 RMM: 3 -0.334785474198E+03 0.12414E-01 -0.11860E-02 5507 0.231E-01 0.234E-01 RMM: 4 -0.334785161783E+03 0.31242E-03 -0.12092E-03 4688 0.762E-02 0.172E-01 RMM: 5 -0.334785022463E+03 0.13932E-03 -0.36171E-04 4381 0.529E-02 0.133E-01 RMM: 6 -0.334784958550E+03 0.63913E-04 -0.15115E-04 3876 0.318E-02 0.101E-01 RMM: 7 -0.334784969136E+03 -0.10587E-04 -0.94645E-05 3749 0.268E-02 8970 T= 6734. E= 0.70053850E+03 F= 0.64483090E+03 E0= 0.67470134E+03 EK= 0.55708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334819278332E+03 -0.34320E-01 -0.21521E-01 8484 0.253E+01 0.246E-01 RMM: 2 -0.334836471389E+03 -0.17193E-01 -0.13220E-01 5336 0.841E-01 0.950E-01 RMM: 3 -0.334830158980E+03 0.63124E-02 -0.11398E-02 5763 0.210E-01 0.244E-01 RMM: 4 -0.334829675811E+03 0.48317E-03 -0.85065E-04 4680 0.667E-02 0.153E-01 RMM: 5 -0.334829499894E+03 0.17592E-03 -0.35158E-04 4377 0.527E-02 0.116E-01 RMM: 6 -0.334829647024E+03 -0.14713E-03 -0.25888E-04 3966 0.429E-02 0.191E-01 RMM: 7 -0.334829506337E+03 0.14069E-03 -0.13695E-04 3876 0.324E-02 0.134E-01 RMM: 8 -0.334829390534E+03 0.11580E-03 -0.74412E-05 3536 0.239E-02 0.434E-02 RMM: 9 -0.334829399969E+03 -0.94353E-05 -0.26188E-05 2638 0.143E-02 8971 T= 7334. E= 0.70524554E+03 F= 0.64457746E+03 E0= 0.67442503E+03 EK= 0.60668E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335014201897E+03 -0.18481E+00 -0.21966E-01 8304 0.261E+01 0.262E-01 RMM: 2 -0.335036342305E+03 -0.22140E-01 -0.14096E-01 5173 0.905E-01 0.124E+00 RMM: 3 -0.335025910406E+03 0.10432E-01 -0.14237E-02 5585 0.243E-01 0.231E-01 RMM: 4 -0.335025519952E+03 0.39045E-03 -0.11414E-03 4718 0.757E-02 0.168E-01 RMM: 5 -0.335025323885E+03 0.19607E-03 -0.30086E-04 4127 0.489E-02 0.100E-01 RMM: 6 -0.335025333551E+03 -0.96655E-05 -0.15683E-04 3876 0.333E-02 8972 T= 7609. E= 0.70712590E+03 F= 0.64417857E+03 E0= 0.67399685E+03 EK= 0.62947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335243082847E+03 -0.21776E+00 -0.21209E-01 8124 0.262E+01 0.377E-01 RMM: 2 -0.335278981317E+03 -0.35898E-01 -0.11622E-01 5230 0.816E-01 0.200E+00 RMM: 3 -0.335251695063E+03 0.27286E-01 -0.16178E-02 5339 0.304E-01 0.330E-01 RMM: 4 -0.335251101881E+03 0.59318E-03 -0.18594E-03 4807 0.891E-02 0.192E-01 RMM: 5 -0.335251038962E+03 0.62920E-04 -0.61247E-04 4605 0.680E-02 0.209E-01 RMM: 6 -0.335250810538E+03 0.22842E-03 -0.33272E-04 4048 0.484E-02 0.116E-01 RMM: 7 -0.335250937715E+03 -0.12718E-03 -0.20152E-04 3892 0.388E-02 0.182E-01 RMM: 8 -0.335250724650E+03 0.21306E-03 -0.11746E-04 3868 0.321E-02 0.544E-02 RMM: 9 -0.335250715187E+03 0.94631E-05 -0.20873E-05 2617 0.132E-02 8973 T= 7401. E= 0.70497586E+03 F= 0.64375027E+03 E0= 0.67353672E+03 EK= 0.61226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335452715403E+03 -0.20199E+00 -0.19659E-01 7596 0.254E+01 0.397E-01 RMM: 2 -0.335493584116E+03 -0.40869E-01 -0.11130E-01 5096 0.829E-01 0.220E+00 RMM: 3 -0.335460652195E+03 0.32932E-01 -0.18055E-02 5329 0.329E-01 0.387E-01 RMM: 4 -0.335459638636E+03 0.10136E-02 -0.22453E-03 5107 0.101E-01 0.145E-01 RMM: 5 -0.335459658157E+03 -0.19522E-04 -0.42640E-04 4450 0.544E-02 0.184E-01 RMM: 6 -0.335459439806E+03 0.21835E-03 -0.16145E-04 3872 0.343E-02 0.668E-02 RMM: 7 -0.335459528742E+03 -0.88936E-04 -0.10500E-04 3839 0.262E-02 0.138E-01 RMM: 8 -0.335459403433E+03 0.12531E-03 -0.54403E-05 3309 0.225E-02 0.338E-02 RMM: 9 -0.335459398595E+03 0.48387E-05 -0.10216E-05 2486 0.896E-03 8974 T= 6821. E= 0.69976182E+03 F= 0.64333255E+03 E0= 0.67308209E+03 EK= 0.56429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335680173526E+03 -0.22077E+00 -0.17652E-01 7632 0.242E+01 0.309E-01 RMM: 2 -0.335695506889E+03 -0.15333E-01 -0.91043E-02 4973 0.715E-01 0.114E+00 RMM: 3 -0.335686735771E+03 0.87711E-02 -0.10526E-02 5373 0.230E-01 0.241E-01 RMM: 4 -0.335686928991E+03 -0.19322E-03 -0.14658E-03 4893 0.885E-02 0.311E-01 RMM: 5 -0.335686367257E+03 0.56173E-03 -0.43906E-04 4505 0.555E-02 0.144E-01 RMM: 6 -0.335686260939E+03 0.10632E-03 -0.13041E-04 3871 0.297E-02 0.791E-02 RMM: 7 -0.335686310995E+03 -0.50056E-04 -0.98400E-05 3826 0.264E-02 0.122E-01 RMM: 8 -0.335686212057E+03 0.98938E-04 -0.52683E-05 3291 0.220E-02 0.318E-02 RMM: 9 -0.335686209668E+03 0.23897E-05 -0.11746E-05 2494 0.957E-03 8975 T= 6150. E= 0.69376480E+03 F= 0.64288613E+03 E0= 0.67259771E+03 EK= 0.50879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336000162792E+03 -0.31395E+00 -0.16265E-01 7692 0.230E+01 0.309E-01 RMM: 2 -0.336015061244E+03 -0.14898E-01 -0.89949E-02 4942 0.721E-01 0.112E+00 RMM: 3 -0.336006575903E+03 0.84853E-02 -0.10506E-02 5461 0.221E-01 0.213E-01 RMM: 4 -0.336006933243E+03 -0.35734E-03 -0.14834E-03 4865 0.910E-02 0.335E-01 RMM: 5 -0.336006290617E+03 0.64263E-03 -0.43265E-04 4395 0.541E-02 0.153E-01 RMM: 6 -0.336006147811E+03 0.14281E-03 -0.13547E-04 3872 0.309E-02 0.613E-02 RMM: 7 -0.336006199713E+03 -0.51902E-04 -0.72811E-05 3527 0.229E-02 0.112E-01 RMM: 8 -0.336006115052E+03 0.84661E-04 -0.40722E-05 3116 0.201E-02 0.262E-02 RMM: 9 -0.336006114483E+03 0.56839E-06 -0.10555E-05 2477 0.904E-03 8976 T= 5634. E= 0.68894118E+03 F= 0.64233485E+03 E0= 0.67200895E+03 EK= 0.46606E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336485967562E+03 -0.47985E+00 -0.14727E-01 7680 0.222E+01 0.290E-01 RMM: 2 -0.336496089318E+03 -0.10122E-01 -0.75595E-02 4997 0.654E-01 0.856E-01 RMM: 3 -0.336491237057E+03 0.48523E-02 -0.81889E-03 5511 0.191E-01 0.220E-01 RMM: 4 -0.336491609072E+03 -0.37202E-03 -0.13216E-03 4741 0.883E-02 0.343E-01 RMM: 5 -0.336490860037E+03 0.74903E-03 -0.46131E-04 4435 0.565E-02 0.116E-01 RMM: 6 -0.336490798755E+03 0.61282E-04 -0.10821E-04 3777 0.275E-02 0.731E-02 RMM: 7 -0.336490820927E+03 -0.22172E-04 -0.60119E-05 3394 0.213E-02 0.101E-01 RMM: 8 -0.336490754992E+03 0.65935E-04 -0.35896E-05 3043 0.189E-02 0.268E-02 RMM: 9 -0.336490755649E+03 -0.65676E-06 -0.10899E-05 2473 0.917E-03 8977 T= 5400. E= 0.68628348E+03 F= 0.64160959E+03 E0= 0.67124868E+03 EK= 0.44674E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337178690580E+03 -0.68794E+00 -0.14330E-01 7776 0.220E+01 0.292E-01 RMM: 2 -0.337193258823E+03 -0.14568E-01 -0.78452E-02 4889 0.674E-01 0.115E+00 RMM: 3 -0.337184240679E+03 0.90181E-02 -0.95014E-03 5441 0.212E-01 0.210E-01 RMM: 4 -0.337184450797E+03 -0.21012E-03 -0.13401E-03 4710 0.860E-02 0.295E-01 RMM: 5 -0.337183977962E+03 0.47284E-03 -0.39713E-04 4319 0.520E-02 0.152E-01 RMM: 6 -0.337183844072E+03 0.13389E-03 -0.14582E-04 3881 0.321E-02 0.682E-02 RMM: 7 -0.337183887359E+03 -0.43287E-04 -0.75020E-05 3558 0.237E-02 0.110E-01 RMM: 8 -0.337183806673E+03 0.80687E-04 -0.40600E-05 3129 0.202E-02 0.254E-02 RMM: 9 -0.337183806231E+03 0.44193E-06 -0.97880E-06 2472 0.883E-03 8978 T= 5488. E= 0.68606956E+03 F= 0.64067205E+03 E0= 0.67027907E+03 EK= 0.45398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338082172439E+03 -0.89837E+00 -0.14529E-01 7836 0.225E+01 0.238E-01 RMM: 2 -0.338092022573E+03 -0.98501E-02 -0.72891E-02 5042 0.640E-01 0.816E-01 RMM: 3 -0.338087619179E+03 0.44034E-02 -0.76880E-03 5647 0.176E-01 0.182E-01 RMM: 4 -0.338087618772E+03 0.40735E-06 -0.89586E-04 4630 0.727E-02 0.230E-01 RMM: 5 -0.338087308740E+03 0.31003E-03 -0.37188E-04 4352 0.527E-02 0.119E-01 RMM: 6 -0.338087275572E+03 0.33167E-04 -0.14581E-04 3895 0.318E-02 0.992E-02 RMM: 7 -0.338087267034E+03 0.85383E-05 -0.59857E-05 3395 0.226E-02 8979 T= 5876. E= 0.68814027E+03 F= 0.63952635E+03 E0= 0.66910449E+03 EK= 0.48614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339142143117E+03 -0.10549E+01 -0.16060E-01 7992 0.234E+01 0.222E-01 RMM: 2 -0.339152679282E+03 -0.10536E-01 -0.89047E-02 5059 0.710E-01 0.708E-01 RMM: 3 -0.339149380976E+03 0.32983E-02 -0.94664E-03 5895 0.179E-01 0.196E-01 RMM: 4 -0.339149128288E+03 0.25269E-03 -0.72342E-04 4642 0.676E-02 0.189E-01 RMM: 5 -0.339148877323E+03 0.25096E-03 -0.42683E-04 4509 0.581E-02 0.977E-02 RMM: 6 -0.339149028833E+03 -0.15151E-03 -0.21096E-04 3885 0.374E-02 0.182E-01 RMM: 7 -0.339148841315E+03 0.18752E-03 -0.10521E-04 3798 0.307E-02 0.833E-02 RMM: 8 -0.339148798679E+03 0.42637E-04 -0.30611E-05 2988 0.162E-02 0.324E-02 RMM: 9 -0.339148803925E+03 -0.52459E-05 -0.19642E-05 2516 0.129E-02 8980 T= 6477. E= 0.69181282E+03 F= 0.63822937E+03 E0= 0.66778350E+03 EK= 0.53583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340248897576E+03 -0.11001E+01 -0.17640E-01 7896 0.245E+01 0.206E-01 RMM: 2 -0.340261841701E+03 -0.12944E-01 -0.10434E-01 5118 0.781E-01 0.829E-01 RMM: 3 -0.340257497348E+03 0.43444E-02 -0.10999E-02 5820 0.197E-01 0.166E-01 RMM: 4 -0.340257213574E+03 0.28377E-03 -0.66254E-04 4662 0.606E-02 0.152E-01 RMM: 5 -0.340257056801E+03 0.15677E-03 -0.22368E-04 3930 0.433E-02 0.921E-02 RMM: 6 -0.340257103196E+03 -0.46396E-04 -0.17264E-04 3896 0.349E-02 0.133E-01 RMM: 7 -0.340256997370E+03 0.10583E-03 -0.92091E-05 3798 0.285E-02 0.626E-02 RMM: 8 -0.340256972674E+03 0.24696E-04 -0.16618E-05 2537 0.126E-02 0.237E-02 RMM: 9 -0.340256971175E+03 0.14990E-05 -0.89743E-06 2447 0.904E-03 8981 T= 7097. E= 0.69560228E+03 F= 0.63689376E+03 E0= 0.66642755E+03 EK= 0.58709E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341257726789E+03 -0.10008E+01 -0.18332E-01 7896 0.254E+01 0.209E-01 RMM: 2 -0.341269959884E+03 -0.12233E-01 -0.10709E-01 5181 0.782E-01 0.727E-01 RMM: 3 -0.341266580084E+03 0.33798E-02 -0.10630E-02 5943 0.186E-01 0.197E-01 RMM: 4 -0.341266188950E+03 0.39113E-03 -0.61738E-04 4604 0.625E-02 0.152E-01 RMM: 5 -0.341266006699E+03 0.18225E-03 -0.32686E-04 4351 0.522E-02 0.100E-01 RMM: 6 -0.341266199092E+03 -0.19239E-03 -0.24641E-04 3891 0.407E-02 0.204E-01 RMM: 7 -0.341265958008E+03 0.24108E-03 -0.13339E-04 3888 0.334E-02 0.872E-02 RMM: 8 -0.341265911130E+03 0.46878E-04 -0.30704E-05 2924 0.162E-02 0.350E-02 RMM: 9 -0.341265911206E+03 -0.76006E-07 -0.19799E-05 2499 0.129E-02 8982 T= 7465. E= 0.69741776E+03 F= 0.63566284E+03 E0= 0.66518173E+03 EK= 0.61755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342039485842E+03 -0.77357E+00 -0.19046E-01 7788 0.256E+01 0.222E-01 RMM: 2 -0.342054138212E+03 -0.14652E-01 -0.11589E-01 5052 0.816E-01 0.885E-01 RMM: 3 -0.342049020877E+03 0.51173E-02 -0.12337E-02 5883 0.207E-01 0.184E-01 RMM: 4 -0.342048687312E+03 0.33357E-03 -0.74283E-04 4689 0.657E-02 0.157E-01 RMM: 5 -0.342048515284E+03 0.17203E-03 -0.30659E-04 4262 0.504E-02 0.971E-02 RMM: 6 -0.342048611135E+03 -0.95851E-04 -0.20734E-04 3880 0.376E-02 0.159E-01 RMM: 7 -0.342048473513E+03 0.13762E-03 -0.91847E-05 3725 0.286E-02 0.778E-02 RMM: 8 -0.342048433989E+03 0.39524E-04 -0.21538E-05 2599 0.140E-02 0.279E-02 RMM: 9 -0.342048435230E+03 -0.12408E-05 -0.14592E-05 2470 0.112E-02 8983 T= 7388. E= 0.69577746E+03 F= 0.63465848E+03 E0= 0.66416877E+03 EK= 0.61119E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342546317942E+03 -0.49788E+00 -0.17971E-01 7728 0.250E+01 0.238E-01 RMM: 2 -0.342557921359E+03 -0.11603E-01 -0.99764E-02 4993 0.747E-01 0.742E-01 RMM: 3 -0.342554169434E+03 0.37519E-02 -0.10792E-02 5979 0.194E-01 0.170E-01 RMM: 4 -0.342554140160E+03 0.29274E-04 -0.94646E-04 4688 0.780E-02 0.247E-01 RMM: 5 -0.342553770145E+03 0.37002E-03 -0.42944E-04 4504 0.569E-02 0.108E-01 RMM: 6 -0.342553778785E+03 -0.86400E-05 -0.14295E-04 3876 0.310E-02 8984 T= 6909. E= 0.69108166E+03 F= 0.63392517E+03 E0= 0.66343417E+03 EK= 0.57156E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342814639117E+03 -0.26087E+00 -0.17565E-01 7620 0.240E+01 0.404E-01 RMM: 2 -0.342845676079E+03 -0.31037E-01 -0.11918E-01 4961 0.825E-01 0.186E+00 RMM: 3 -0.342822747367E+03 0.22929E-01 -0.16790E-02 5376 0.303E-01 0.313E-01 RMM: 4 -0.342822600638E+03 0.14673E-03 -0.22121E-03 5100 0.102E-01 0.298E-01 RMM: 5 -0.342822349514E+03 0.25112E-03 -0.61579E-04 4583 0.619E-02 0.243E-01 RMM: 6 -0.342821974847E+03 0.37467E-03 -0.26275E-04 3893 0.423E-02 0.749E-02 RMM: 7 -0.342822039304E+03 -0.64457E-04 -0.12490E-04 3865 0.300E-02 0.128E-01 RMM: 8 -0.342821937356E+03 0.10195E-03 -0.61160E-05 3435 0.236E-02 0.527E-02 RMM: 9 -0.342821921579E+03 0.15777E-04 -0.17121E-05 2541 0.123E-02 8985 T= 6268. E= 0.68527117E+03 F= 0.63341790E+03 E0= 0.66293188E+03 EK= 0.51853E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342943829463E+03 -0.12189E+00 -0.15449E-01 7680 0.229E+01 0.367E-01 RMM: 2 -0.342969965552E+03 -0.26136E-01 -0.82658E-02 5113 0.691E-01 0.177E+00 RMM: 3 -0.342948845034E+03 0.21121E-01 -0.11904E-02 5345 0.263E-01 0.284E-01 RMM: 4 -0.342948966360E+03 -0.12133E-03 -0.21621E-03 5106 0.106E-01 0.329E-01 RMM: 5 -0.342948536628E+03 0.42973E-03 -0.51753E-04 4558 0.596E-02 0.219E-01 RMM: 6 -0.342948211755E+03 0.32487E-03 -0.16502E-04 3882 0.342E-02 0.416E-02 RMM: 7 -0.342948231403E+03 -0.19648E-04 -0.41861E-05 3105 0.180E-02 8986 T= 5717. E= 0.68033727E+03 F= 0.63303936E+03 E0= 0.66256678E+03 EK= 0.47298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343027093430E+03 -0.78882E-01 -0.15094E-01 7764 0.221E+01 0.334E-01 RMM: 2 -0.343041905227E+03 -0.14812E-01 -0.91890E-02 5056 0.704E-01 0.113E+00 RMM: 3 -0.343033278700E+03 0.86265E-02 -0.10059E-02 5451 0.216E-01 0.235E-01 RMM: 4 -0.343034026801E+03 -0.74810E-03 -0.18267E-03 4947 0.102E-01 0.426E-01 RMM: 5 -0.343032982047E+03 0.10448E-02 -0.57223E-04 4535 0.612E-02 0.170E-01 RMM: 6 -0.343032797379E+03 0.18467E-03 -0.15336E-04 3872 0.319E-02 0.587E-02 RMM: 7 -0.343032849246E+03 -0.51867E-04 -0.74368E-05 3543 0.234E-02 0.114E-01 RMM: 8 -0.343032761570E+03 0.87676E-04 -0.40371E-05 3127 0.199E-02 0.260E-02 RMM: 9 -0.343032763219E+03 -0.16486E-05 -0.13312E-05 2492 0.102E-02 8987 T= 5410. E= 0.67744974E+03 F= 0.63269154E+03 E0= 0.66223885E+03 EK= 0.44758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343147502227E+03 -0.11474E+00 -0.13617E-01 7920 0.218E+01 0.292E-01 RMM: 2 -0.343156295812E+03 -0.87936E-02 -0.64166E-02 5038 0.612E-01 0.872E-01 RMM: 3 -0.343151515303E+03 0.47805E-02 -0.70144E-03 5510 0.180E-01 0.206E-01 RMM: 4 -0.343152119594E+03 -0.60429E-03 -0.13378E-03 4707 0.888E-02 0.378E-01 RMM: 5 -0.343151226153E+03 0.89344E-03 -0.51053E-04 4482 0.591E-02 0.119E-01 RMM: 6 -0.343151144876E+03 0.81277E-04 -0.10504E-04 3761 0.271E-02 0.563E-02 RMM: 7 -0.343151172881E+03 -0.28004E-04 -0.47028E-05 3203 0.194E-02 0.910E-02 RMM: 8 -0.343151117908E+03 0.54972E-04 -0.27064E-05 2849 0.172E-02 0.247E-02 RMM: 9 -0.343151115790E+03 0.21187E-05 -0.68689E-06 2455 0.735E-03 8988 T= 5407. E= 0.67703594E+03 F= 0.63230438E+03 E0= 0.66187969E+03 EK= 0.44732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343336500591E+03 -0.18538E+00 -0.14572E-01 7764 0.222E+01 0.262E-01 RMM: 2 -0.343345816445E+03 -0.93159E-02 -0.71204E-02 4985 0.634E-01 0.796E-01 RMM: 3 -0.343341527789E+03 0.42887E-02 -0.76543E-03 5553 0.177E-01 0.168E-01 RMM: 4 -0.343341926923E+03 -0.39913E-03 -0.11705E-03 4735 0.850E-02 0.328E-01 RMM: 5 -0.343341295190E+03 0.63173E-03 -0.48401E-04 4460 0.581E-02 0.127E-01 RMM: 6 -0.343341220136E+03 0.75054E-04 -0.12845E-04 3844 0.296E-02 0.759E-02 RMM: 7 -0.343341237473E+03 -0.17337E-04 -0.61875E-05 3450 0.234E-02 8989 T= 5710. E= 0.67908003E+03 F= 0.63184701E+03 E0= 0.66145830E+03 EK= 0.47233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343591404689E+03 -0.25018E+00 -0.14795E-01 8076 0.230E+01 0.255E-01 RMM: 2 -0.343599682441E+03 -0.82778E-02 -0.60721E-02 5136 0.607E-01 0.810E-01 RMM: 3 -0.343595683629E+03 0.39988E-02 -0.62692E-03 5465 0.168E-01 0.218E-01 RMM: 4 -0.343595623511E+03 0.60119E-04 -0.85905E-04 4614 0.710E-02 0.229E-01 RMM: 5 -0.343595303929E+03 0.31958E-03 -0.59886E-04 4599 0.690E-02 0.118E-01 RMM: 6 -0.343595321778E+03 -0.17849E-04 -0.20216E-04 3876 0.371E-02 0.133E-01 RMM: 7 -0.343595260256E+03 0.61522E-04 -0.10019E-04 3815 0.309E-02 0.103E-01 RMM: 8 -0.343595192307E+03 0.67949E-04 -0.36190E-05 3102 0.182E-02 0.314E-02 RMM: 9 -0.343595194329E+03 -0.20221E-05 -0.12863E-05 2494 0.104E-02 8990 T= 6261. E= 0.68312877E+03 F= 0.63133340E+03 E0= 0.66098855E+03 EK= 0.51795E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343851908363E+03 -0.25672E+00 -0.16742E-01 7716 0.242E+01 0.212E-01 RMM: 2 -0.343863475941E+03 -0.11568E-01 -0.76788E-02 5074 0.685E-01 0.942E-01 RMM: 3 -0.343857943426E+03 0.55325E-02 -0.79090E-03 5534 0.182E-01 0.162E-01 RMM: 4 -0.343857801727E+03 0.14170E-03 -0.66993E-04 4569 0.609E-02 0.156E-01 RMM: 5 -0.343857639390E+03 0.16234E-03 -0.33182E-04 4436 0.529E-02 0.934E-02 RMM: 6 -0.343857703425E+03 -0.64035E-04 -0.18093E-04 3877 0.353E-02 0.138E-01 RMM: 7 -0.343857626310E+03 0.77116E-04 -0.71328E-05 3524 0.254E-02 0.902E-02 RMM: 8 -0.343857572276E+03 0.54034E-04 -0.26325E-05 2849 0.158E-02 0.215E-02 RMM: 9 -0.343857571255E+03 0.10201E-05 -0.69030E-06 2448 0.756E-03 8991 T= 6912. E= 0.68800024E+03 F= 0.63082171E+03 E0= 0.66052718E+03 EK= 0.57179E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344034464506E+03 -0.17689E+00 -0.18096E-01 7752 0.252E+01 0.223E-01 RMM: 2 -0.344044905059E+03 -0.10441E-01 -0.82186E-02 5198 0.722E-01 0.813E-01 RMM: 3 -0.344040948276E+03 0.39568E-02 -0.77321E-03 5559 0.177E-01 0.207E-01 RMM: 4 -0.344040667403E+03 0.28087E-03 -0.62893E-04 4599 0.613E-02 0.158E-01 RMM: 5 -0.344040482142E+03 0.18526E-03 -0.45722E-04 4573 0.621E-02 0.115E-01 RMM: 6 -0.344040617233E+03 -0.13509E-03 -0.28284E-04 3949 0.436E-02 0.188E-01 RMM: 7 -0.344040434627E+03 0.18261E-03 -0.12699E-04 3860 0.335E-02 0.966E-02 RMM: 8 -0.344040376575E+03 0.58053E-04 -0.28645E-05 2915 0.158E-02 0.347E-02 RMM: 9 -0.344040375808E+03 0.76657E-06 -0.16995E-05 2491 0.119E-02 8992 T= 7409. E= 0.69169132E+03 F= 0.63039853E+03 E0= 0.66015748E+03 EK= 0.61293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344053192252E+03 -0.12816E-01 -0.18880E-01 7680 0.257E+01 0.229E-01 RMM: 2 -0.344065367652E+03 -0.12175E-01 -0.81470E-02 5200 0.724E-01 0.978E-01 RMM: 3 -0.344059482464E+03 0.58852E-02 -0.79424E-03 5502 0.186E-01 0.187E-01 RMM: 4 -0.344059274359E+03 0.20811E-03 -0.68530E-04 4609 0.621E-02 0.153E-01 RMM: 5 -0.344059112732E+03 0.16163E-03 -0.34218E-04 4423 0.534E-02 0.105E-01 RMM: 6 -0.344059210378E+03 -0.97647E-04 -0.20631E-04 3881 0.372E-02 0.165E-01 RMM: 7 -0.344059090640E+03 0.11974E-03 -0.99987E-05 3719 0.294E-02 0.102E-01 RMM: 8 -0.344059022239E+03 0.68401E-04 -0.37374E-05 3103 0.181E-02 0.288E-02 RMM: 9 -0.344059022690E+03 -0.45053E-06 -0.13594E-05 2483 0.107E-02 8993 T= 7506. E= 0.69223621E+03 F= 0.63014351E+03 E0= 0.65995435E+03 EK= 0.62093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343872136664E+03 0.18689E+00 -0.19213E-01 7776 0.254E+01 0.235E-01 RMM: 2 -0.343881182448E+03 -0.90458E-02 -0.71947E-02 5151 0.664E-01 0.769E-01 RMM: 3 -0.343877466104E+03 0.37163E-02 -0.68125E-03 5532 0.170E-01 0.186E-01 RMM: 4 -0.343877494733E+03 -0.28629E-04 -0.82022E-04 4622 0.725E-02 0.237E-01 RMM: 5 -0.343877161353E+03 0.33338E-03 -0.46010E-04 4556 0.594E-02 0.126E-01 RMM: 6 -0.343877155030E+03 0.63232E-05 -0.20237E-04 3884 0.368E-02 0.126E-01 RMM: 7 -0.343877120251E+03 0.34779E-04 -0.87933E-05 3662 0.286E-02 0.110E-01 RMM: 8 -0.343877043377E+03 0.76874E-04 -0.30811E-05 2998 0.170E-02 0.282E-02 RMM: 9 -0.343877042711E+03 0.66622E-06 -0.10229E-05 2474 0.908E-03 8994 T= 7148. E= 0.68922046E+03 F= 0.63008643E+03 E0= 0.65994225E+03 EK= 0.59134E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343516810689E+03 0.36023E+00 -0.18723E-01 7548 0.245E+01 0.274E-01 RMM: 2 -0.343526499503E+03 -0.96888E-02 -0.72041E-02 4960 0.662E-01 0.851E-01 RMM: 3 -0.343521788710E+03 0.47108E-02 -0.78504E-03 5461 0.189E-01 0.173E-01 RMM: 4 -0.343522232419E+03 -0.44371E-03 -0.11832E-03 4789 0.863E-02 0.333E-01 RMM: 5 -0.343521573409E+03 0.65901E-03 -0.44157E-04 4442 0.555E-02 0.135E-01 RMM: 6 -0.343521490072E+03 0.83337E-04 -0.13646E-04 3867 0.308E-02 0.807E-02 RMM: 7 -0.343521521399E+03 -0.31327E-04 -0.69109E-05 3512 0.238E-02 0.110E-01 RMM: 8 -0.343521440224E+03 0.81174E-04 -0.36102E-05 3080 0.191E-02 0.248E-02 RMM: 9 -0.343521439812E+03 0.41205E-06 -0.88078E-06 2466 0.832E-03 8995 T= 6524. E= 0.68416674E+03 F= 0.63019417E+03 E0= 0.66008577E+03 EK= 0.53973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343054927896E+03 0.46651E+00 -0.17189E-01 7668 0.234E+01 0.297E-01 RMM: 2 -0.343063514549E+03 -0.85867E-02 -0.67359E-02 5000 0.635E-01 0.804E-01 RMM: 3 -0.343059282159E+03 0.42324E-02 -0.72337E-03 5426 0.186E-01 0.223E-01 RMM: 4 -0.343059978570E+03 -0.69641E-03 -0.13652E-03 4847 0.923E-02 0.402E-01 RMM: 5 -0.343058959194E+03 0.10194E-02 -0.51899E-04 4474 0.596E-02 0.125E-01 RMM: 6 -0.343058878025E+03 0.81169E-04 -0.12520E-04 3856 0.291E-02 0.709E-02 RMM: 7 -0.343058915820E+03 -0.37795E-04 -0.64990E-05 3455 0.225E-02 0.110E-01 RMM: 8 -0.343058837365E+03 0.78455E-04 -0.33879E-05 3031 0.185E-02 0.247E-02 RMM: 9 -0.343058838179E+03 -0.81427E-06 -0.99414E-06 2470 0.872E-03 8996 T= 5905. E= 0.67924517E+03 F= 0.63039675E+03 E0= 0.66031383E+03 EK= 0.48848E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342551478052E+03 0.50736E+00 -0.15642E-01 7824 0.224E+01 0.311E-01 RMM: 2 -0.342559791403E+03 -0.83134E-02 -0.63559E-02 5043 0.615E-01 0.832E-01 RMM: 3 -0.342555333332E+03 0.44581E-02 -0.69111E-03 5445 0.181E-01 0.209E-01 RMM: 4 -0.342556063903E+03 -0.73057E-03 -0.13715E-03 4798 0.916E-02 0.409E-01 RMM: 5 -0.342555031236E+03 0.10327E-02 -0.53853E-04 4519 0.610E-02 0.131E-01 RMM: 6 -0.342554937782E+03 0.93455E-04 -0.11453E-04 3790 0.277E-02 0.653E-02 RMM: 7 -0.342554967385E+03 -0.29603E-04 -0.59080E-05 3381 0.214E-02 0.101E-01 RMM: 8 -0.342554899516E+03 0.67869E-04 -0.33562E-05 2999 0.185E-02 0.229E-02 RMM: 9 -0.342554902590E+03 -0.30740E-05 -0.11289E-05 2476 0.934E-03 8997 T= 5485. E= 0.67600225E+03 F= 0.63062925E+03 E0= 0.66056318E+03 EK= 0.45373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342045939395E+03 0.50896E+00 -0.14716E-01 7944 0.220E+01 0.292E-01 RMM: 2 -0.342053673355E+03 -0.77340E-02 -0.57436E-02 5016 0.576E-01 0.798E-01 RMM: 3 -0.342049448803E+03 0.42246E-02 -0.62363E-03 5426 0.173E-01 0.217E-01 RMM: 4 -0.342050141054E+03 -0.69225E-03 -0.13429E-03 4751 0.909E-02 0.402E-01 RMM: 5 -0.342049116821E+03 0.10242E-02 -0.54267E-04 4494 0.613E-02 0.113E-01 RMM: 6 -0.342049058761E+03 0.58059E-04 -0.11106E-04 3801 0.272E-02 0.744E-02 RMM: 7 -0.342049074984E+03 -0.16223E-04 -0.55048E-05 3336 0.210E-02 8998 T= 5353. E= 0.67514223E+03 F= 0.63085705E+03 E0= 0.66080083E+03 EK= 0.44285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341539385226E+03 0.50967E+00 -0.15066E-01 8124 0.221E+01 0.280E-01 RMM: 2 -0.341546032042E+03 -0.66468E-02 -0.55320E-02 5049 0.562E-01 0.704E-01 RMM: 3 -0.341542906509E+03 0.31255E-02 -0.60322E-03 5544 0.164E-01 0.208E-01 RMM: 4 -0.341543366382E+03 -0.45987E-03 -0.11389E-03 4633 0.837E-02 0.359E-01 RMM: 5 -0.341542554058E+03 0.81232E-03 -0.50693E-04 4468 0.592E-02 0.118E-01 RMM: 6 -0.341542522978E+03 0.31080E-04 -0.12909E-04 3879 0.296E-02 0.102E-01 RMM: 7 -0.341542504534E+03 0.18444E-04 -0.70499E-05 3518 0.241E-02 8999 T= 5530. E= 0.67683683E+03 F= 0.63108634E+03 E0= 0.66103291E+03 EK= 0.45750E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340988954120E+03 0.55357E+00 -0.15921E-01 8532 0.227E+01 0.246E-01 RMM: 2 -0.340997212718E+03 -0.82586E-02 -0.59815E-02 5088 0.584E-01 0.788E-01 RMM: 3 -0.340993137577E+03 0.40751E-02 -0.61630E-03 5525 0.167E-01 0.210E-01 RMM: 4 -0.340993144752E+03 -0.71746E-05 -0.90580E-04 4616 0.741E-02 0.242E-01 RMM: 5 -0.340992846866E+03 0.29789E-03 -0.45313E-04 4523 0.584E-02 0.152E-01 RMM: 6 -0.340992734714E+03 0.11215E-03 -0.19919E-04 3893 0.371E-02 0.877E-02 RMM: 7 -0.340992747347E+03 -0.12633E-04 -0.72392E-05 3544 0.259E-02 9000 T= 5985. E= 0.68087863E+03 F= 0.63136673E+03 E0= 0.66130942E+03 EK= 0.49512E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340309237935E+03 0.68350E+00 -0.18185E-01 8532 0.238E+01 0.234E-01 RMM: 2 -0.340319207566E+03 -0.99696E-02 -0.81194E-02 5138 0.683E-01 0.759E-01 RMM: 3 -0.340315515815E+03 0.36918E-02 -0.87612E-03 5738 0.185E-01 0.180E-01 RMM: 4 -0.340315382012E+03 0.13380E-03 -0.71746E-04 4629 0.641E-02 0.204E-01 RMM: 5 -0.340315124319E+03 0.25769E-03 -0.41338E-04 4497 0.572E-02 0.117E-01 RMM: 6 -0.340315165517E+03 -0.41198E-04 -0.23225E-04 3907 0.399E-02 0.144E-01 RMM: 7 -0.340315102073E+03 0.63444E-04 -0.10015E-04 3797 0.299E-02 0.112E-01 RMM: 8 -0.340315021385E+03 0.80688E-04 -0.36595E-05 3094 0.180E-02 0.332E-02 RMM: 9 -0.340315018682E+03 0.27036E-05 -0.11573E-05 2483 0.965E-03 9001 T= 6611. E= 0.68647831E+03 F= 0.63178750E+03 E0= 0.66171810E+03 EK= 0.54691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339393644345E+03 0.92138E+00 -0.19998E-01 8736 0.249E+01 0.200E-01 RMM: 2 -0.339405936867E+03 -0.12293E-01 -0.88325E-02 5195 0.701E-01 0.875E-01 RMM: 3 -0.339400907503E+03 0.50294E-02 -0.86879E-03 5680 0.184E-01 0.176E-01 RMM: 4 -0.339400712951E+03 0.19455E-03 -0.65924E-04 4624 0.608E-02 0.160E-01 RMM: 5 -0.339400509771E+03 0.20318E-03 -0.28177E-04 4041 0.484E-02 0.765E-02 RMM: 6 -0.339400636411E+03 -0.12664E-03 -0.19278E-04 3894 0.366E-02 0.161E-01 RMM: 7 -0.339400498674E+03 0.13774E-03 -0.86325E-05 3648 0.275E-02 0.841E-02 RMM: 8 -0.339400453094E+03 0.45580E-04 -0.24375E-05 2655 0.149E-02 0.260E-02 RMM: 9 -0.339400450988E+03 0.21056E-05 -0.97373E-06 2451 0.920E-03 9002 T= 7196. E= 0.69199020E+03 F= 0.63245791E+03 E0= 0.66236494E+03 EK= 0.59532E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338153802782E+03 0.12467E+01 -0.21878E-01 8736 0.256E+01 0.232E-01 RMM: 2 -0.338166103190E+03 -0.12300E-01 -0.10094E-01 5213 0.755E-01 0.809E-01 RMM: 3 -0.338161828466E+03 0.42747E-02 -0.99860E-03 5812 0.197E-01 0.192E-01 RMM: 4 -0.338161574908E+03 0.25356E-03 -0.74271E-04 4653 0.651E-02 0.179E-01 RMM: 5 -0.338161345018E+03 0.22989E-03 -0.38484E-04 4452 0.556E-02 0.102E-01 RMM: 6 -0.338161500538E+03 -0.15552E-03 -0.22550E-04 3886 0.391E-02 0.188E-01 RMM: 7 -0.338161319356E+03 0.18118E-03 -0.10527E-04 3841 0.300E-02 0.977E-02 RMM: 8 -0.338161258932E+03 0.60424E-04 -0.31978E-05 2974 0.165E-02 0.349E-02 RMM: 9 -0.338161257379E+03 0.15528E-05 -0.17094E-05 2493 0.119E-02 9003 T= 7473. E= 0.69528799E+03 F= 0.63346222E+03 E0= 0.66333218E+03 EK= 0.61826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336573068086E+03 0.15882E+01 -0.22375E-01 8544 0.256E+01 0.233E-01 RMM: 2 -0.336586368755E+03 -0.13301E-01 -0.10684E-01 5179 0.749E-01 0.840E-01 RMM: 3 -0.336581372059E+03 0.49967E-02 -0.95635E-03 5903 0.192E-01 0.184E-01 RMM: 4 -0.336581238313E+03 0.13375E-03 -0.83097E-04 4659 0.712E-02 0.209E-01 RMM: 5 -0.336580933290E+03 0.30502E-03 -0.35482E-04 4366 0.523E-02 0.892E-02 RMM: 6 -0.336581023773E+03 -0.90483E-04 -0.16923E-04 3880 0.344E-02 0.148E-01 RMM: 7 -0.336580935082E+03 0.88690E-04 -0.70846E-05 3522 0.243E-02 0.101E-01 RMM: 8 -0.336580869160E+03 0.65922E-04 -0.34328E-05 3028 0.176E-02 0.255E-02 RMM: 9 -0.336580870157E+03 -0.99720E-06 -0.11898E-05 2467 0.979E-03 9004 T= 7292. E= 0.69513202E+03 F= 0.63481108E+03 E0= 0.66463005E+03 EK= 0.60321E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334734132466E+03 0.18467E+01 -0.21938E-01 8268 0.249E+01 0.266E-01 RMM: 2 -0.334746687324E+03 -0.12555E-01 -0.11587E-01 5166 0.760E-01 0.691E-01 RMM: 3 -0.334742755275E+03 0.39320E-02 -0.98371E-03 5814 0.202E-01 0.217E-01 RMM: 4 -0.334742976054E+03 -0.22078E-03 -0.12038E-03 4855 0.861E-02 0.318E-01 RMM: 5 -0.334742334338E+03 0.64172E-03 -0.44607E-04 4379 0.546E-02 0.115E-01 RMM: 6 -0.334742294377E+03 0.39960E-04 -0.14049E-04 3877 0.318E-02 0.916E-02 RMM: 7 -0.334742321038E+03 -0.26661E-04 -0.69081E-05 3530 0.231E-02 0.117E-01 RMM: 8 -0.334742231674E+03 0.89365E-04 -0.36576E-05 3047 0.188E-02 0.288E-02 RMM: 9 -0.334742229639E+03 0.20342E-05 -0.11085E-05 2473 0.927E-03 9005 T= 6748. E= 0.69223666E+03 F= 0.63641555E+03 E0= 0.66617223E+03 EK= 0.55821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332786854772E+03 0.19554E+01 -0.20241E-01 8124 0.237E+01 0.318E-01 RMM: 2 -0.332801502442E+03 -0.14648E-01 -0.11812E-01 5219 0.773E-01 0.928E-01 RMM: 3 -0.332795073156E+03 0.64293E-02 -0.10337E-02 5772 0.211E-01 0.216E-01 RMM: 4 -0.332795641579E+03 -0.56842E-03 -0.15125E-03 4901 0.947E-02 0.392E-01 RMM: 5 -0.332794646451E+03 0.99513E-03 -0.52682E-04 4553 0.597E-02 0.115E-01 RMM: 6 -0.332794583448E+03 0.63002E-04 -0.10976E-04 3800 0.274E-02 0.715E-02 RMM: 7 -0.332794618060E+03 -0.34612E-04 -0.64967E-05 3439 0.217E-02 0.107E-01 RMM: 8 -0.332794543603E+03 0.74458E-04 -0.42921E-05 3108 0.199E-02 0.347E-02 RMM: 9 -0.332794539093E+03 0.45092E-05 -0.13944E-05 2491 0.107E-02 9006 T= 6103. E= 0.68860757E+03 F= 0.63812252E+03 E0= 0.66781047E+03 EK= 0.50485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330884812920E+03 0.19097E+01 -0.18418E-01 8304 0.226E+01 0.328E-01 RMM: 2 -0.330898762452E+03 -0.13950E-01 -0.11730E-01 5215 0.773E-01 0.880E-01 RMM: 3 -0.330893158979E+03 0.56035E-02 -0.10699E-02 5700 0.213E-01 0.256E-01 RMM: 4 -0.330893775927E+03 -0.61695E-03 -0.16577E-03 4941 0.100E-01 0.418E-01 RMM: 5 -0.330892629849E+03 0.11461E-02 -0.58302E-04 4535 0.621E-02 0.120E-01 RMM: 6 -0.330892551912E+03 0.77936E-04 -0.11083E-04 3797 0.269E-02 0.667E-02 RMM: 7 -0.330892593149E+03 -0.41237E-04 -0.72069E-05 3594 0.225E-02 0.111E-01 RMM: 8 -0.330892511679E+03 0.81470E-04 -0.46493E-05 3184 0.200E-02 0.316E-02 RMM: 9 -0.330892511866E+03 -0.18691E-06 -0.15908E-05 2512 0.113E-02 9007 T= 5597. E= 0.68608016E+03 F= 0.63977704E+03 E0= 0.66939449E+03 EK= 0.46303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329145525651E+03 0.17470E+01 -0.17255E-01 8352 0.219E+01 0.322E-01 RMM: 2 -0.329159172395E+03 -0.13647E-01 -0.11060E-01 5111 0.762E-01 0.909E-01 RMM: 3 -0.329153380006E+03 0.57924E-02 -0.10981E-02 5735 0.215E-01 0.230E-01 RMM: 4 -0.329153932921E+03 -0.55291E-03 -0.15762E-03 4910 0.965E-02 0.398E-01 RMM: 5 -0.329152935392E+03 0.99753E-03 -0.53456E-04 4509 0.597E-02 0.136E-01 RMM: 6 -0.329152826304E+03 0.10909E-03 -0.11245E-04 3804 0.276E-02 0.605E-02 RMM: 7 -0.329152865278E+03 -0.38974E-04 -0.63309E-05 3425 0.217E-02 0.104E-01 RMM: 8 -0.329152794042E+03 0.71236E-04 -0.42706E-05 3117 0.192E-02 0.349E-02 RMM: 9 -0.329152790383E+03 0.36593E-05 -0.15767E-05 2503 0.113E-02 9008 T= 5368. E= 0.68567308E+03 F= 0.64126610E+03 E0= 0.67081483E+03 EK= 0.44407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327635607243E+03 0.15172E+01 -0.16282E-01 8364 0.219E+01 0.293E-01 RMM: 2 -0.327648028729E+03 -0.12421E-01 -0.92684E-02 5232 0.687E-01 0.903E-01 RMM: 3 -0.327642125239E+03 0.59035E-02 -0.88451E-03 5724 0.193E-01 0.202E-01 RMM: 4 -0.327642595256E+03 -0.47002E-03 -0.12947E-03 4733 0.884E-02 0.360E-01 RMM: 5 -0.327641771781E+03 0.82348E-03 -0.42976E-04 4211 0.528E-02 0.122E-01 RMM: 6 -0.327641694076E+03 0.77705E-04 -0.98865E-05 3680 0.267E-02 0.665E-02 RMM: 7 -0.327641731407E+03 -0.37330E-04 -0.78684E-05 3643 0.234E-02 0.106E-01 RMM: 8 -0.327641655277E+03 0.76129E-04 -0.46048E-05 3200 0.207E-02 0.285E-02 RMM: 9 -0.327641653503E+03 0.17748E-05 -0.11720E-05 2485 0.970E-03 9009 T= 5468. E= 0.68776248E+03 F= 0.64252966E+03 E0= 0.67201367E+03 EK= 0.45233E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326370815387E+03 0.12708E+01 -0.16686E-01 8352 0.224E+01 0.259E-01 RMM: 2 -0.326383565797E+03 -0.12750E-01 -0.94628E-02 5222 0.697E-01 0.906E-01 RMM: 3 -0.326377868820E+03 0.56970E-02 -0.88453E-03 5842 0.186E-01 0.189E-01 RMM: 4 -0.326377991294E+03 -0.12247E-03 -0.10597E-03 4670 0.792E-02 0.278E-01 RMM: 5 -0.326377529722E+03 0.46157E-03 -0.34095E-04 4026 0.481E-02 0.128E-01 RMM: 6 -0.326377453332E+03 0.76390E-04 -0.13294E-04 3879 0.315E-02 0.806E-02 RMM: 7 -0.326377496362E+03 -0.43031E-04 -0.82202E-05 3652 0.253E-02 0.118E-01 RMM: 8 -0.326377403349E+03 0.93014E-04 -0.41708E-05 3159 0.198E-02 0.303E-02 RMM: 9 -0.326377399903E+03 0.34455E-05 -0.10504E-05 2483 0.902E-03 9010 T= 5893. E= 0.69230490E+03 F= 0.64355586E+03 E0= 0.67298004E+03 EK= 0.48749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325326747300E+03 0.10507E+01 -0.18039E-01 8508 0.236E+01 0.241E-01 RMM: 2 -0.325342436424E+03 -0.15689E-01 -0.10837E-01 5242 0.752E-01 0.995E-01 RMM: 3 -0.325335326153E+03 0.71103E-02 -0.10355E-02 5765 0.200E-01 0.192E-01 RMM: 4 -0.325335158862E+03 0.16729E-03 -0.90601E-04 4700 0.714E-02 0.198E-01 RMM: 5 -0.325334933890E+03 0.22497E-03 -0.28999E-04 3993 0.453E-02 0.128E-01 RMM: 6 -0.325334881899E+03 0.51991E-04 -0.14282E-04 3876 0.327E-02 0.969E-02 RMM: 7 -0.325334913155E+03 -0.31257E-04 -0.98310E-05 3773 0.267E-02 0.126E-01 RMM: 8 -0.325334808355E+03 0.10480E-03 -0.52274E-05 3306 0.218E-02 0.298E-02 RMM: 9 -0.325334805692E+03 0.26629E-05 -0.11598E-05 2484 0.949E-03 9011 T= 6564. E= 0.69867412E+03 F= 0.64437406E+03 E0= 0.67374360E+03 EK= 0.54300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324443087038E+03 0.89172E+00 -0.20081E-01 8760 0.249E+01 0.252E-01 RMM: 2 -0.324462626124E+03 -0.19539E-01 -0.12931E-01 5242 0.848E-01 0.116E+00 RMM: 3 -0.324453645444E+03 0.89807E-02 -0.12520E-02 5789 0.220E-01 0.222E-01 RMM: 4 -0.324453249216E+03 0.39623E-03 -0.96346E-04 4720 0.725E-02 0.163E-01 RMM: 5 -0.324453080109E+03 0.16911E-03 -0.28435E-04 4010 0.469E-02 0.112E-01 RMM: 6 -0.324453075648E+03 0.44611E-05 -0.14930E-04 3876 0.329E-02 9012 T= 7275. E= 0.70522926E+03 F= 0.64504541E+03 E0= 0.67436586E+03 EK= 0.60184E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323649669896E+03 0.80341E+00 -0.22143E-01 8592 0.259E+01 0.430E-01 RMM: 2 -0.323697890017E+03 -0.48220E-01 -0.14952E-01 5295 0.916E-01 0.238E+00 RMM: 3 -0.323660769923E+03 0.37120E-01 -0.22269E-02 5355 0.360E-01 0.380E-01 RMM: 4 -0.323659854879E+03 0.91504E-03 -0.23711E-03 4995 0.964E-02 0.170E-01 RMM: 5 -0.323659738578E+03 0.11630E-03 -0.47967E-04 4510 0.585E-02 0.173E-01 RMM: 6 -0.323659595080E+03 0.14350E-03 -0.26294E-04 3911 0.436E-02 0.121E-01 RMM: 7 -0.323659726956E+03 -0.13188E-03 -0.23159E-04 3907 0.410E-02 0.188E-01 RMM: 8 -0.323659504319E+03 0.22264E-03 -0.12598E-04 3879 0.330E-02 0.647E-02 RMM: 9 -0.323659484061E+03 0.20258E-04 -0.25364E-05 2777 0.145E-02 0.422E-02 RMM: 10 -0.323659483694E+03 0.36756E-06 -0.21680E-05 2542 0.133E-02 9013 T= 7709. E= 0.70941512E+03 F= 0.64563910E+03 E0= 0.67491629E+03 EK= 0.63776E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322908594407E+03 0.75089E+00 -0.23037E-01 8184 0.262E+01 0.438E-01 RMM: 2 -0.322956355176E+03 -0.47761E-01 -0.16288E-01 5197 0.983E-01 0.233E+00 RMM: 3 -0.322920966255E+03 0.35389E-01 -0.22714E-02 5373 0.364E-01 0.482E-01 RMM: 4 -0.322919353155E+03 0.16131E-02 -0.29414E-03 5311 0.118E-01 0.159E-01 RMM: 5 -0.322919361099E+03 -0.79436E-05 -0.54351E-04 4519 0.602E-02 0.189E-01 RMM: 6 -0.322919125953E+03 0.23515E-03 -0.18784E-04 3876 0.366E-02 0.694E-02 RMM: 7 -0.322919196562E+03 -0.70609E-04 -0.95515E-05 3688 0.250E-02 0.130E-01 RMM: 8 -0.322919088317E+03 0.10824E-03 -0.59672E-05 3435 0.237E-02 0.368E-02 RMM: 9 -0.322919080881E+03 0.74368E-05 -0.11255E-05 2485 0.981E-03 9014 T= 7624. E= 0.70925869E+03 F= 0.64618398E+03 E0= 0.67542428E+03 EK= 0.63075E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322263602557E+03 0.65549E+00 -0.22248E-01 8016 0.256E+01 0.302E-01 RMM: 2 -0.322283823928E+03 -0.20221E-01 -0.14560E-01 5187 0.880E-01 0.111E+00 RMM: 3 -0.322275073980E+03 0.87499E-02 -0.13561E-02 5691 0.242E-01 0.222E-01 RMM: 4 -0.322275180047E+03 -0.10607E-03 -0.14189E-03 4908 0.900E-02 0.307E-01 RMM: 5 -0.322274644924E+03 0.53512E-03 -0.45735E-04 4499 0.563E-02 0.153E-01 RMM: 6 -0.322274532466E+03 0.11246E-03 -0.17066E-04 3877 0.340E-02 0.903E-02 RMM: 7 -0.322274606827E+03 -0.74361E-04 -0.11766E-04 3882 0.287E-02 0.144E-01 RMM: 8 -0.322274469059E+03 0.13777E-03 -0.62512E-05 3417 0.232E-02 0.370E-02 RMM: 9 -0.322274464187E+03 0.48718E-05 -0.14688E-05 2516 0.109E-02 9015 T= 7071. E= 0.70512626E+03 F= 0.64663073E+03 E0= 0.67584379E+03 EK= 0.58496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321827442889E+03 0.44703E+00 -0.20457E-01 7992 0.244E+01 0.318E-01 RMM: 2 -0.321849710505E+03 -0.22268E-01 -0.14962E-01 5094 0.907E-01 0.122E+00 RMM: 3 -0.321839125303E+03 0.10585E-01 -0.15228E-02 5705 0.255E-01 0.228E-01 RMM: 4 -0.321839218929E+03 -0.93625E-04 -0.16189E-03 5036 0.963E-02 0.306E-01 RMM: 5 -0.321838671759E+03 0.54717E-03 -0.41631E-04 4243 0.528E-02 0.145E-01 RMM: 6 -0.321838544073E+03 0.12769E-03 -0.11985E-04 3814 0.299E-02 0.576E-02 RMM: 7 -0.321838594782E+03 -0.50709E-04 -0.67844E-05 3491 0.219E-02 0.110E-01 RMM: 8 -0.321838515333E+03 0.79449E-04 -0.42675E-05 3086 0.202E-02 0.369E-02 RMM: 9 -0.321838508321E+03 0.70125E-05 -0.12300E-05 2482 0.996E-03 9016 T= 6344. E= 0.69934670E+03 F= 0.64686130E+03 E0= 0.67605816E+03 EK= 0.52485E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321733757008E+03 0.10476E+00 -0.18314E-01 8004 0.232E+01 0.340E-01 RMM: 2 -0.321753680784E+03 -0.19924E-01 -0.14106E-01 5111 0.882E-01 0.114E+00 RMM: 3 -0.321744496086E+03 0.91847E-02 -0.14807E-02 5656 0.251E-01 0.250E-01 RMM: 4 -0.321744842226E+03 -0.34614E-03 -0.18112E-03 4996 0.102E-01 0.374E-01 RMM: 5 -0.321744000782E+03 0.84144E-03 -0.50637E-04 4505 0.581E-02 0.153E-01 RMM: 6 -0.321743854448E+03 0.14633E-03 -0.12239E-04 3871 0.288E-02 0.626E-02 RMM: 7 -0.321743910943E+03 -0.56495E-04 -0.88910E-05 3725 0.242E-02 0.118E-01 RMM: 8 -0.321743818681E+03 0.92262E-04 -0.58618E-05 3382 0.222E-02 0.349E-02 RMM: 9 -0.321743814489E+03 0.41916E-05 -0.13991E-05 2501 0.107E-02 9017 T= 5745. E= 0.69426773E+03 F= 0.64674104E+03 E0= 0.67593350E+03 EK= 0.47527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322084774752E+03 -0.34096E+00 -0.16911E-01 7848 0.223E+01 0.340E-01 RMM: 2 -0.322107754335E+03 -0.22980E-01 -0.14118E-01 4923 0.892E-01 0.131E+00 RMM: 3 -0.322095668904E+03 0.12085E-01 -0.16653E-02 5629 0.266E-01 0.236E-01 RMM: 4 -0.322095911566E+03 -0.24266E-03 -0.19096E-03 5093 0.103E-01 0.348E-01 RMM: 5 -0.322095201506E+03 0.71006E-03 -0.48998E-04 4428 0.562E-02 0.154E-01 RMM: 6 -0.322095055623E+03 0.14588E-03 -0.12886E-04 3858 0.296E-02 0.611E-02 RMM: 7 -0.322095105384E+03 -0.49761E-04 -0.77408E-05 3598 0.230E-02 0.111E-01 RMM: 8 -0.322095024991E+03 0.80393E-04 -0.48823E-05 3210 0.209E-02 0.383E-02 RMM: 9 -0.322095018051E+03 0.69400E-05 -0.12531E-05 2496 0.101E-02 9018 T= 5441. E= 0.69117901E+03 F= 0.64616698E+03 E0= 0.67536622E+03 EK= 0.45012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322928037218E+03 -0.83301E+00 -0.16577E-01 8256 0.221E+01 0.276E-01 RMM: 2 -0.322943361988E+03 -0.15325E-01 -0.12013E-01 5030 0.793E-01 0.895E-01 RMM: 3 -0.322937461015E+03 0.59010E-02 -0.12444E-02 5766 0.216E-01 0.194E-01 RMM: 4 -0.322937670185E+03 -0.20917E-03 -0.12413E-03 4811 0.850E-02 0.314E-01 RMM: 5 -0.322937056724E+03 0.61346E-03 -0.38345E-04 4171 0.508E-02 0.124E-01 RMM: 6 -0.322936978003E+03 0.78721E-04 -0.11112E-04 3832 0.282E-02 0.736E-02 RMM: 7 -0.322937023153E+03 -0.45150E-04 -0.83485E-05 3665 0.244E-02 0.116E-01 RMM: 8 -0.322936933898E+03 0.89255E-04 -0.44367E-05 3177 0.205E-02 0.297E-02 RMM: 9 -0.322936930974E+03 0.29240E-05 -0.10701E-05 2480 0.920E-03 9019 T= 5486. E= 0.69048025E+03 F= 0.64509895E+03 E0= 0.67431537E+03 EK= 0.45381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324225268549E+03 -0.12883E+01 -0.17628E-01 8256 0.227E+01 0.249E-01 RMM: 2 -0.324242464979E+03 -0.17196E-01 -0.12470E-01 5030 0.797E-01 0.990E-01 RMM: 3 -0.324235303430E+03 0.71615E-02 -0.12838E-02 5792 0.218E-01 0.183E-01 RMM: 4 -0.324235221927E+03 0.81503E-04 -0.10366E-03 4773 0.769E-02 0.236E-01 RMM: 5 -0.324234882429E+03 0.33950E-03 -0.32261E-04 4082 0.476E-02 0.115E-01 RMM: 6 -0.324234849728E+03 0.32701E-04 -0.12999E-04 3866 0.306E-02 0.960E-02 RMM: 7 -0.324234860979E+03 -0.11251E-04 -0.74531E-05 3565 0.240E-02 9020 T= 5860. E= 0.69205229E+03 F= 0.64357721E+03 E0= 0.67282018E+03 EK= 0.48475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325853794887E+03 -0.16189E+01 -0.18767E-01 8640 0.237E+01 0.240E-01 RMM: 2 -0.325869682889E+03 -0.15888E-01 -0.12709E-01 5175 0.805E-01 0.869E-01 RMM: 3 -0.325864262603E+03 0.54203E-02 -0.12821E-02 5887 0.211E-01 0.213E-01 RMM: 4 -0.325863875499E+03 0.38710E-03 -0.81160E-04 4696 0.662E-02 0.167E-01 RMM: 5 -0.325863679553E+03 0.19595E-03 -0.32825E-04 4210 0.503E-02 0.116E-01 RMM: 6 -0.325863744127E+03 -0.64575E-04 -0.20243E-04 3889 0.374E-02 0.158E-01 RMM: 7 -0.325863686425E+03 0.57702E-04 -0.13548E-04 3892 0.325E-02 0.132E-01 RMM: 8 -0.325863571430E+03 0.11499E-03 -0.71194E-05 3493 0.242E-02 0.388E-02 RMM: 9 -0.325863570504E+03 0.92601E-06 -0.18601E-05 2544 0.124E-02 9021 T= 6467. E= 0.69523177E+03 F= 0.64173124E+03 E0= 0.67100820E+03 EK= 0.53501E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327597044077E+03 -0.17335E+01 -0.21857E-01 8532 0.250E+01 0.238E-01 RMM: 2 -0.327619471482E+03 -0.22427E-01 -0.16457E-01 5069 0.929E-01 0.108E+00 RMM: 3 -0.327611189507E+03 0.82820E-02 -0.17774E-02 5807 0.249E-01 0.210E-01 RMM: 4 -0.327610701497E+03 0.48801E-03 -0.99342E-04 4775 0.716E-02 0.151E-01 RMM: 5 -0.327610529033E+03 0.17246E-03 -0.24486E-04 3949 0.436E-02 0.956E-02 RMM: 6 -0.327610552300E+03 -0.23268E-04 -0.14532E-04 3876 0.325E-02 0.120E-01 RMM: 7 -0.327610521401E+03 0.30900E-04 -0.92726E-05 3837 0.270E-02 0.112E-01 RMM: 8 -0.327610436667E+03 0.84734E-04 -0.41565E-05 3143 0.192E-02 0.293E-02 RMM: 9 -0.327610435072E+03 0.15948E-05 -0.14124E-05 2484 0.109E-02 9022 T= 7102. E= 0.69852778E+03 F= 0.63977480E+03 E0= 0.66909014E+03 EK= 0.58753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329206986836E+03 -0.15966E+01 -0.23832E-01 8592 0.259E+01 0.228E-01 RMM: 2 -0.329226655247E+03 -0.19668E-01 -0.16674E-01 5171 0.930E-01 0.860E-01 RMM: 3 -0.329221282316E+03 0.53729E-02 -0.16610E-02 5970 0.234E-01 0.204E-01 RMM: 4 -0.329220756812E+03 0.52550E-03 -0.78489E-04 4726 0.654E-02 0.149E-01 RMM: 5 -0.329220581412E+03 0.17540E-03 -0.24386E-04 3967 0.447E-02 0.105E-01 RMM: 6 -0.329220743975E+03 -0.16256E-03 -0.22157E-04 3899 0.390E-02 0.198E-01 RMM: 7 -0.329220522457E+03 0.22152E-03 -0.14632E-04 3890 0.343E-02 0.979E-02 RMM: 8 -0.329220462149E+03 0.60308E-04 -0.39632E-05 3074 0.180E-02 0.391E-02 RMM: 9 -0.329220459456E+03 0.26934E-05 -0.32539E-05 2568 0.167E-02 9023 T= 7477. E= 0.69981559E+03 F= 0.63796053E+03 E0= 0.66731467E+03 EK= 0.61855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330471872471E+03 -0.12514E+01 -0.24507E-01 8508 0.261E+01 0.234E-01 RMM: 2 -0.330492874625E+03 -0.21002E-01 -0.17024E-01 5104 0.924E-01 0.937E-01 RMM: 3 -0.330486231773E+03 0.66429E-02 -0.16352E-02 5992 0.239E-01 0.203E-01 RMM: 4 -0.330485800866E+03 0.43091E-03 -0.87824E-04 4725 0.705E-02 0.165E-01 RMM: 5 -0.330485595586E+03 0.20528E-03 -0.27485E-04 4102 0.465E-02 0.958E-02 RMM: 6 -0.330485682032E+03 -0.86446E-04 -0.17690E-04 3884 0.352E-02 0.153E-01 RMM: 7 -0.330485577979E+03 0.10405E-03 -0.95009E-05 3810 0.275E-02 0.102E-01 RMM: 8 -0.330485509881E+03 0.68098E-04 -0.33885E-05 2993 0.172E-02 0.291E-02 RMM: 9 -0.330485512186E+03 -0.23054E-05 -0.20108E-05 2512 0.128E-02 9024 T= 7388. E= 0.69761202E+03 F= 0.63649163E+03 E0= 0.66587936E+03 EK= 0.61120E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331309054401E+03 -0.82354E+00 -0.24229E-01 8328 0.256E+01 0.246E-01 RMM: 2 -0.331328011859E+03 -0.18957E-01 -0.17286E-01 5157 0.906E-01 0.744E-01 RMM: 3 -0.331323114122E+03 0.48977E-02 -0.15188E-02 6049 0.235E-01 0.176E-01 RMM: 4 -0.331323036985E+03 0.77137E-04 -0.10209E-03 4848 0.789E-02 0.249E-01 RMM: 5 -0.331322627637E+03 0.40935E-03 -0.35137E-04 4235 0.500E-02 0.105E-01 RMM: 6 -0.331322639260E+03 -0.11622E-04 -0.15264E-04 3876 0.325E-02 9025 T= 6885. E= 0.69240315E+03 F= 0.63544532E+03 E0= 0.66485695E+03 EK= 0.56958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331779789972E+03 -0.45716E+00 -0.23311E-01 8484 0.245E+01 0.421E-01 RMM: 2 -0.331820318483E+03 -0.40529E-01 -0.16172E-01 5074 0.906E-01 0.202E+00 RMM: 3 -0.331791491585E+03 0.28827E-01 -0.20260E-02 5371 0.330E-01 0.311E-01 RMM: 4 -0.331791388340E+03 0.10324E-03 -0.26291E-03 5274 0.110E-01 0.308E-01 RMM: 5 -0.331791022295E+03 0.36604E-03 -0.55654E-04 4513 0.557E-02 0.230E-01 RMM: 6 -0.331790693877E+03 0.32842E-03 -0.26204E-04 3901 0.422E-02 0.853E-02 RMM: 7 -0.331790769256E+03 -0.75380E-04 -0.13671E-04 3879 0.310E-02 0.138E-01 RMM: 8 -0.331790643950E+03 0.12531E-03 -0.74366E-05 3557 0.249E-02 0.496E-02 RMM: 9 -0.331790630731E+03 0.13219E-04 -0.18126E-05 2564 0.125E-02 9026 T= 6222. E= 0.68623329E+03 F= 0.63475842E+03 E0= 0.66418218E+03 EK= 0.51475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332024785592E+03 -0.23414E+00 -0.21553E-01 8352 0.233E+01 0.409E-01 RMM: 2 -0.332067384458E+03 -0.42599E-01 -0.15889E-01 4990 0.923E-01 0.211E+00 RMM: 3 -0.332036333120E+03 0.31051E-01 -0.20145E-02 5369 0.334E-01 0.332E-01 RMM: 4 -0.332036089437E+03 0.24368E-03 -0.29164E-03 5299 0.119E-01 0.300E-01 RMM: 5 -0.332035853421E+03 0.23602E-03 -0.56382E-04 4557 0.591E-02 0.241E-01 RMM: 6 -0.332035453721E+03 0.39970E-03 -0.19741E-04 3881 0.367E-02 0.470E-02 RMM: 7 -0.332035480753E+03 -0.27031E-04 -0.56348E-05 3318 0.199E-02 0.860E-02 RMM: 8 -0.332035435441E+03 0.45312E-04 -0.40713E-05 2951 0.195E-02 0.353E-02 RMM: 9 -0.332035431338E+03 0.41030E-05 -0.13641E-05 2491 0.108E-02 9027 T= 5662. E= 0.68112540E+03 F= 0.63428360E+03 E0= 0.66370881E+03 EK= 0.46842E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332205727703E+03 -0.17029E+00 -0.18964E-01 8352 0.225E+01 0.357E-01 RMM: 2 -0.332227761767E+03 -0.22034E-01 -0.12927E-01 5044 0.828E-01 0.135E+00 RMM: 3 -0.332215354338E+03 0.12407E-01 -0.14468E-02 5458 0.261E-01 0.288E-01 RMM: 4 -0.332215530329E+03 -0.17599E-03 -0.21675E-03 5061 0.108E-01 0.348E-01 RMM: 5 -0.332214855591E+03 0.67474E-03 -0.50749E-04 4340 0.557E-02 0.177E-01 RMM: 6 -0.332214656298E+03 0.19929E-03 -0.15298E-04 3875 0.329E-02 0.638E-02 RMM: 7 -0.332214701801E+03 -0.45503E-04 -0.88954E-05 3692 0.250E-02 0.110E-01 RMM: 8 -0.332214622306E+03 0.79494E-04 -0.50626E-05 3257 0.210E-02 0.382E-02 RMM: 9 -0.332214615892E+03 0.64141E-05 -0.14036E-05 2501 0.109E-02 9028 T= 5361. E= 0.67821542E+03 F= 0.63386572E+03 E0= 0.66328339E+03 EK= 0.44350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332435842415E+03 -0.22122E+00 -0.17114E-01 8076 0.222E+01 0.299E-01 RMM: 2 -0.332452179807E+03 -0.16337E-01 -0.11610E-01 4887 0.778E-01 0.102E+00 RMM: 3 -0.332444942044E+03 0.72378E-02 -0.13169E-02 5604 0.233E-01 0.241E-01 RMM: 4 -0.332445181023E+03 -0.23898E-03 -0.16385E-03 4973 0.954E-02 0.331E-01 RMM: 5 -0.332444517452E+03 0.66357E-03 -0.45693E-04 4366 0.542E-02 0.143E-01 RMM: 6 -0.332444392786E+03 0.12467E-03 -0.12298E-04 3842 0.292E-02 0.557E-02 RMM: 7 -0.332444439351E+03 -0.46565E-04 -0.61915E-05 3416 0.212E-02 0.106E-01 RMM: 8 -0.332444362513E+03 0.76838E-04 -0.36411E-05 3016 0.193E-02 0.269E-02 RMM: 9 -0.332444361884E+03 0.62943E-06 -0.11174E-05 2484 0.943E-03 9029 T= 5378. E= 0.67788733E+03 F= 0.63339417E+03 E0= 0.66279697E+03 EK= 0.44493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332767223570E+03 -0.32286E+00 -0.17364E-01 7920 0.226E+01 0.257E-01 RMM: 2 -0.332781173230E+03 -0.13950E-01 -0.10487E-01 4905 0.750E-01 0.894E-01 RMM: 3 -0.332775515438E+03 0.56578E-02 -0.11561E-02 5734 0.208E-01 0.189E-01 RMM: 4 -0.332775530383E+03 -0.14945E-04 -0.11802E-03 4776 0.831E-02 0.254E-01 RMM: 5 -0.332775184295E+03 0.34609E-03 -0.35746E-04 4080 0.493E-02 0.141E-01 RMM: 6 -0.332775075039E+03 0.10926E-03 -0.12412E-04 3872 0.306E-02 0.699E-02 RMM: 7 -0.332775097619E+03 -0.22580E-04 -0.66494E-05 3475 0.231E-02 0.970E-02 RMM: 8 -0.332775035393E+03 0.62226E-04 -0.33576E-05 3038 0.188E-02 0.251E-02 RMM: 9 -0.332775034705E+03 0.68782E-06 -0.88324E-06 2466 0.843E-03 9030 T= 5714. E= 0.68009419E+03 F= 0.63282528E+03 E0= 0.66220763E+03 EK= 0.47269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333169427795E+03 -0.39439E+00 -0.17498E-01 8016 0.236E+01 0.226E-01 RMM: 2 -0.333182564442E+03 -0.13137E-01 -0.89284E-02 4963 0.711E-01 0.938E-01 RMM: 3 -0.333176596137E+03 0.59683E-02 -0.97443E-03 5595 0.200E-01 0.191E-01 RMM: 4 -0.333176410008E+03 0.18613E-03 -0.85161E-04 4646 0.678E-02 0.168E-01 RMM: 5 -0.333176245002E+03 0.16501E-03 -0.37128E-04 4479 0.544E-02 0.112E-01 RMM: 6 -0.333176230247E+03 0.14755E-04 -0.15976E-04 3875 0.329E-02 9031 T= 6303. E= 0.68434019E+03 F= 0.63219483E+03 E0= 0.66155199E+03 EK= 0.52145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333526623764E+03 -0.35038E+00 -0.18897E-01 8172 0.248E+01 0.378E-01 RMM: 2 -0.333566315215E+03 -0.39691E-01 -0.98608E-02 5178 0.786E-01 0.219E+00 RMM: 3 -0.333533536033E+03 0.32779E-01 -0.16094E-02 5332 0.316E-01 0.319E-01 RMM: 4 -0.333532885682E+03 0.65035E-03 -0.17199E-03 4761 0.806E-02 0.147E-01 RMM: 5 -0.333532761279E+03 0.12440E-03 -0.40524E-04 4510 0.570E-02 0.143E-01 RMM: 6 -0.333532714748E+03 0.46531E-04 -0.29995E-04 4205 0.480E-02 0.132E-01 RMM: 7 -0.333532780648E+03 -0.65900E-04 -0.17928E-04 3884 0.360E-02 0.169E-01 RMM: 8 -0.333532592947E+03 0.18770E-03 -0.10581E-04 3748 0.305E-02 0.446E-02 RMM: 9 -0.333532590062E+03 0.28843E-05 -0.18011E-05 2558 0.122E-02 9032 T= 6978. E= 0.68934352E+03 F= 0.63162033E+03 E0= 0.66094715E+03 EK= 0.57723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333666301595E+03 -0.13371E+00 -0.20429E-01 8040 0.259E+01 0.326E-01 RMM: 2 -0.333698753241E+03 -0.32452E-01 -0.11265E-01 5105 0.831E-01 0.185E+00 RMM: 3 -0.333675288312E+03 0.23465E-01 -0.15539E-02 5364 0.298E-01 0.367E-01 RMM: 4 -0.333674358910E+03 0.92940E-03 -0.18350E-03 4877 0.900E-02 0.126E-01 RMM: 5 -0.333674277272E+03 0.81638E-04 -0.34675E-04 4278 0.515E-02 0.121E-01 RMM: 6 -0.333674199547E+03 0.77724E-04 -0.12491E-04 3856 0.297E-02 0.855E-02 RMM: 7 -0.333674241997E+03 -0.42450E-04 -0.10839E-04 3875 0.275E-02 0.124E-01 RMM: 8 -0.333674138764E+03 0.10323E-03 -0.56127E-05 3349 0.229E-02 0.284E-02 RMM: 9 -0.333674135693E+03 0.30716E-05 -0.98549E-06 2475 0.902E-03 9033 T= 7459. E= 0.69297364E+03 F= 0.63127000E+03 E0= 0.66056234E+03 EK= 0.61704E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333440554997E+03 0.23358E+00 -0.21225E-01 7920 0.263E+01 0.261E-01 RMM: 2 -0.333460338428E+03 -0.19783E-01 -0.10715E-01 5075 0.809E-01 0.129E+00 RMM: 3 -0.333449084740E+03 0.11254E-01 -0.11740E-02 5429 0.238E-01 0.227E-01 RMM: 4 -0.333448742974E+03 0.34177E-03 -0.10037E-03 4697 0.676E-02 0.133E-01 RMM: 5 -0.333448601445E+03 0.14153E-03 -0.29698E-04 4235 0.506E-02 0.109E-01 RMM: 6 -0.333448664240E+03 -0.62796E-04 -0.19338E-04 3889 0.376E-02 0.153E-01 RMM: 7 -0.333448566689E+03 0.97551E-04 -0.11188E-04 3850 0.294E-02 0.108E-01 RMM: 8 -0.333448490136E+03 0.76553E-04 -0.49110E-05 3274 0.204E-02 0.341E-02 RMM: 9 -0.333448489605E+03 0.53113E-06 -0.22018E-05 2523 0.138E-02 9034 T= 7494. E= 0.69328325E+03 F= 0.63129155E+03 E0= 0.66054713E+03 EK= 0.61992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332792769244E+03 0.65572E+00 -0.20515E-01 7728 0.258E+01 0.218E-01 RMM: 2 -0.332804773468E+03 -0.12004E-01 -0.10007E-01 4851 0.755E-01 0.742E-01 RMM: 3 -0.332800914822E+03 0.38586E-02 -0.11488E-02 5792 0.212E-01 0.157E-01 RMM: 4 -0.332800813070E+03 0.10175E-03 -0.73736E-04 4669 0.649E-02 0.194E-01 RMM: 5 -0.332800570757E+03 0.24231E-03 -0.25529E-04 4051 0.450E-02 0.100E-01 RMM: 6 -0.332800586228E+03 -0.15471E-04 -0.16749E-04 3882 0.347E-02 9035 T= 7057. E= 0.69011785E+03 F= 0.63173420E+03 E0= 0.66095235E+03 EK= 0.58384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331789580335E+03 0.10110E+01 -0.18714E-01 7704 0.247E+01 0.347E-01 RMM: 2 -0.331813209363E+03 -0.23629E-01 -0.10187E-01 4852 0.757E-01 0.154E+00 RMM: 3 -0.331796752338E+03 0.16457E-01 -0.13419E-02 5382 0.267E-01 0.243E-01 RMM: 4 -0.331796914517E+03 -0.16218E-03 -0.19298E-03 5210 0.997E-02 0.308E-01 RMM: 5 -0.331796408069E+03 0.50645E-03 -0.49187E-04 4469 0.560E-02 0.176E-01 RMM: 6 -0.331796230080E+03 0.17799E-03 -0.18188E-04 3882 0.354E-02 0.825E-02 RMM: 7 -0.331796307782E+03 -0.77702E-04 -0.12262E-04 3874 0.294E-02 0.139E-01 RMM: 8 -0.331796177766E+03 0.13002E-03 -0.66675E-05 3462 0.240E-02 0.386E-02 RMM: 9 -0.331796171988E+03 0.57776E-05 -0.13317E-05 2516 0.104E-02 9036 T= 6377. E= 0.68528063E+03 F= 0.63252744E+03 E0= 0.66171076E+03 EK= 0.52753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330565574542E+03 0.12306E+01 -0.17184E-01 7896 0.233E+01 0.345E-01 RMM: 2 -0.330592443532E+03 -0.26869E-01 -0.10796E-01 4827 0.780E-01 0.167E+00 RMM: 3 -0.330573207778E+03 0.19236E-01 -0.14666E-02 5383 0.285E-01 0.245E-01 RMM: 4 -0.330573380828E+03 -0.17305E-03 -0.20326E-03 5235 0.101E-01 0.303E-01 RMM: 5 -0.330572890396E+03 0.49043E-03 -0.39751E-04 4207 0.490E-02 0.165E-01 RMM: 6 -0.330572714025E+03 0.17637E-03 -0.12115E-04 3820 0.298E-02 0.469E-02 RMM: 7 -0.330572733148E+03 -0.19123E-04 -0.47776E-05 3187 0.190E-02 9037 T= 5739. E= 0.68100951E+03 F= 0.63353190E+03 E0= 0.66268522E+03 EK= 0.47478E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329262973254E+03 0.13097E+01 -0.15484E-01 7920 0.222E+01 0.326E-01 RMM: 2 -0.329276328258E+03 -0.13355E-01 -0.10180E-01 4995 0.748E-01 0.937E-01 RMM: 3 -0.329270444337E+03 0.58839E-02 -0.11186E-02 5517 0.222E-01 0.262E-01 RMM: 4 -0.329270901248E+03 -0.45691E-03 -0.17439E-03 4973 0.999E-02 0.392E-01 RMM: 5 -0.329269915622E+03 0.98563E-03 -0.57878E-04 4496 0.622E-02 0.124E-01 RMM: 6 -0.329269832122E+03 0.83500E-04 -0.10834E-04 3739 0.263E-02 0.693E-02 RMM: 7 -0.329269866623E+03 -0.34501E-04 -0.85307E-05 3747 0.240E-02 0.108E-01 RMM: 8 -0.329269786111E+03 0.80512E-04 -0.49774E-05 3273 0.208E-02 0.233E-02 RMM: 9 -0.329269793448E+03 -0.73370E-05 -0.14891E-05 2513 0.111E-02 9038 T= 5337. E= 0.67875958E+03 F= 0.63461004E+03 E0= 0.66373986E+03 EK= 0.44150E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327985263052E+03 0.12845E+01 -0.15498E-01 8100 0.217E+01 0.299E-01 RMM: 2 -0.327999919697E+03 -0.14657E-01 -0.11147E-01 4930 0.770E-01 0.945E-01 RMM: 3 -0.327993601584E+03 0.63181E-02 -0.12202E-02 5684 0.220E-01 0.197E-01 RMM: 4 -0.327993951282E+03 -0.34970E-03 -0.14438E-03 4883 0.916E-02 0.342E-01 RMM: 5 -0.327993206007E+03 0.74528E-03 -0.43596E-04 4273 0.536E-02 0.122E-01 RMM: 6 -0.327993115564E+03 0.90442E-04 -0.10396E-04 3716 0.273E-02 0.531E-02 RMM: 7 -0.327993151942E+03 -0.36378E-04 -0.54814E-05 3315 0.198E-02 0.984E-02 RMM: 8 -0.327993086500E+03 0.65442E-04 -0.35043E-05 2922 0.186E-02 0.223E-02 RMM: 9 -0.327993088747E+03 -0.22471E-05 -0.11819E-05 2480 0.950E-03 9039 T= 5256. E= 0.67914285E+03 F= 0.63566142E+03 E0= 0.66477492E+03 EK= 0.43481E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326795260128E+03 0.11978E+01 -0.15760E-01 8340 0.217E+01 0.252E-01 RMM: 2 -0.326807359662E+03 -0.12100E-01 -0.10782E-01 4974 0.739E-01 0.687E-01 RMM: 3 -0.326803894953E+03 0.34647E-02 -0.11414E-02 5898 0.198E-01 0.192E-01 RMM: 4 -0.326804043517E+03 -0.14856E-03 -0.10553E-03 4734 0.804E-02 0.300E-01 RMM: 5 -0.326803434807E+03 0.60871E-03 -0.34840E-04 4006 0.476E-02 0.912E-02 RMM: 6 -0.326803409655E+03 0.25152E-04 -0.95088E-05 3668 0.269E-02 0.753E-02 RMM: 7 -0.326803424836E+03 -0.15181E-04 -0.54671E-05 3294 0.200E-02 9040 T= 5521. E= 0.68230401E+03 F= 0.63663197E+03 E0= 0.66573653E+03 EK= 0.45672E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325712090668E+03 0.10913E+01 -0.16855E-01 8760 0.224E+01 0.248E-01 RMM: 2 -0.325725610576E+03 -0.13520E-01 -0.10896E-01 5152 0.712E-01 0.813E-01 RMM: 3 -0.325720604058E+03 0.50065E-02 -0.10432E-02 5814 0.201E-01 0.206E-01 RMM: 4 -0.325720470724E+03 0.13333E-03 -0.95728E-04 4646 0.717E-02 0.215E-01 RMM: 5 -0.325720179488E+03 0.29124E-03 -0.26181E-04 3891 0.413E-02 0.110E-01 RMM: 6 -0.325720140939E+03 0.38550E-04 -0.10282E-04 3770 0.279E-02 0.872E-02 RMM: 7 -0.325720164603E+03 -0.23664E-04 -0.91122E-05 3762 0.250E-02 0.112E-01 RMM: 8 -0.325720079109E+03 0.85494E-04 -0.49009E-05 3247 0.214E-02 0.243E-02 RMM: 9 -0.325720081208E+03 -0.20991E-05 -0.12657E-05 2493 0.101E-02 9041 T= 6104. E= 0.68800466E+03 F= 0.63750814E+03 E0= 0.66661172E+03 EK= 0.50497E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324711497312E+03 0.10086E+01 -0.21133E-01 8688 0.236E+01 0.219E-01 RMM: 2 -0.324730870306E+03 -0.19373E-01 -0.16127E-01 5039 0.867E-01 0.852E-01 RMM: 3 -0.324724984008E+03 0.58863E-02 -0.15341E-02 6039 0.230E-01 0.185E-01 RMM: 4 -0.324724606102E+03 0.37791E-03 -0.88002E-04 4737 0.702E-02 0.161E-01 RMM: 5 -0.324724430660E+03 0.17544E-03 -0.22809E-04 3887 0.407E-02 0.999E-02 RMM: 6 -0.324724405491E+03 0.25169E-04 -0.12446E-04 3886 0.305E-02 0.871E-02 RMM: 7 -0.324724412529E+03 -0.70378E-05 -0.72599E-05 3559 0.236E-02 9042 T= 6881. E= 0.69523605E+03 F= 0.63831119E+03 E0= 0.66741942E+03 EK= 0.56925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323756202936E+03 0.96820E+00 -0.24776E-01 9120 0.247E+01 0.229E-01 RMM: 2 -0.323776266220E+03 -0.20063E-01 -0.18129E-01 5436 0.866E-01 0.749E-01 RMM: 3 -0.323770722560E+03 0.55437E-02 -0.13592E-02 6106 0.216E-01 0.195E-01 RMM: 4 -0.323770366051E+03 0.35651E-03 -0.80071E-04 4792 0.618E-02 0.163E-01 RMM: 5 -0.323770151957E+03 0.21409E-03 -0.21560E-04 3890 0.397E-02 0.960E-02 RMM: 6 -0.323770272966E+03 -0.12101E-03 -0.19138E-04 3890 0.360E-02 0.173E-01 RMM: 7 -0.323770120608E+03 0.15236E-03 -0.13468E-04 3888 0.316E-02 0.104E-01 RMM: 8 -0.323770051435E+03 0.69173E-04 -0.45497E-05 3188 0.191E-02 0.340E-02 RMM: 9 -0.323770055745E+03 -0.43104E-05 -0.25488E-05 2563 0.145E-02 9043 T= 7576. E= 0.70176354E+03 F= 0.63908622E+03 E0= 0.66820343E+03 EK= 0.62677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322791400726E+03 0.97865E+00 -0.29974E-01 9168 0.254E+01 0.220E-01 RMM: 2 -0.322815400787E+03 -0.24000E-01 -0.22095E-01 5461 0.944E-01 0.745E-01 RMM: 3 -0.322809390891E+03 0.60099E-02 -0.15882E-02 6244 0.225E-01 0.185E-01 RMM: 4 -0.322809001196E+03 0.38969E-03 -0.88982E-04 4726 0.680E-02 0.174E-01 RMM: 5 -0.322808794318E+03 0.20688E-03 -0.22439E-04 3887 0.399E-02 0.999E-02 RMM: 6 -0.322808777461E+03 0.16857E-04 -0.11507E-04 3871 0.292E-02 9044 T= 7841. E= 0.70474631E+03 F= 0.63987697E+03 E0= 0.66900431E+03 EK= 0.64869E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321812540018E+03 0.99625E+00 -0.33233E-01 9012 0.253E+01 0.348E-01 RMM: 2 -0.321851414882E+03 -0.38875E-01 -0.23618E-01 5631 0.960E-01 0.162E+00 RMM: 3 -0.321830928581E+03 0.20486E-01 -0.16420E-02 5426 0.279E-01 0.324E-01 RMM: 4 -0.321830328690E+03 0.59989E-03 -0.20276E-03 4855 0.962E-02 0.182E-01 RMM: 5 -0.321830168212E+03 0.16048E-03 -0.43425E-04 4231 0.513E-02 0.156E-01 RMM: 6 -0.321830072931E+03 0.95281E-04 -0.19490E-04 3896 0.364E-02 0.111E-01 RMM: 7 -0.321830180730E+03 -0.10780E-03 -0.17306E-04 3891 0.341E-02 0.170E-01 RMM: 8 -0.321829991688E+03 0.18904E-03 -0.10445E-04 3774 0.296E-02 0.479E-02 RMM: 9 -0.321829981111E+03 0.10577E-04 -0.18931E-05 2573 0.126E-02 9045 T= 7516. E= 0.70286551E+03 F= 0.64068791E+03 E0= 0.66982752E+03 EK= 0.62178E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320877199687E+03 0.95279E+00 -0.33974E-01 8976 0.245E+01 0.290E-01 RMM: 2 -0.320913837351E+03 -0.36638E-01 -0.23316E-01 5555 0.959E-01 0.150E+00 RMM: 3 -0.320896038302E+03 0.17799E-01 -0.15760E-02 5457 0.273E-01 0.232E-01 RMM: 4 -0.320895823566E+03 0.21474E-03 -0.17813E-03 4959 0.903E-02 0.204E-01 RMM: 5 -0.320895653549E+03 0.17002E-03 -0.34623E-04 4026 0.463E-02 0.147E-01 RMM: 6 -0.320895519326E+03 0.13422E-03 -0.12130E-04 3874 0.300E-02 0.602E-02 RMM: 7 -0.320895572760E+03 -0.53434E-04 -0.76642E-05 3563 0.231E-02 0.111E-01 RMM: 8 -0.320895492756E+03 0.80004E-04 -0.46661E-05 3177 0.209E-02 0.340E-02 RMM: 9 -0.320895487050E+03 0.57064E-05 -0.12511E-05 2487 0.101E-02 9046 T= 6789. E= 0.69761084E+03 F= 0.64145158E+03 E0= 0.67060185E+03 EK= 0.56159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320105995416E+03 0.78950E+00 -0.31619E-01 9036 0.232E+01 0.327E-01 RMM: 2 -0.320136984686E+03 -0.30989E-01 -0.22076E-01 5421 0.964E-01 0.130E+00 RMM: 3 -0.320123598610E+03 0.13386E-01 -0.16065E-02 5634 0.264E-01 0.257E-01 RMM: 4 -0.320123569247E+03 0.29363E-04 -0.19494E-03 5026 0.101E-01 0.295E-01 RMM: 5 -0.320123081502E+03 0.48774E-03 -0.42255E-04 4092 0.492E-02 0.150E-01 RMM: 6 -0.320122946412E+03 0.13509E-03 -0.11755E-04 3784 0.293E-02 0.599E-02 RMM: 7 -0.320122993901E+03 -0.47488E-04 -0.78115E-05 3602 0.231E-02 0.107E-01 RMM: 8 -0.320122922473E+03 0.71428E-04 -0.55745E-05 3316 0.210E-02 0.433E-02 RMM: 9 -0.320122912947E+03 0.95253E-05 -0.17075E-05 2524 0.121E-02 9047 T= 6016. E= 0.69181723E+03 F= 0.64204689E+03 E0= 0.67120706E+03 EK= 0.49770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319631575256E+03 0.49135E+00 -0.27237E-01 9060 0.221E+01 0.304E-01 RMM: 2 -0.319655515722E+03 -0.23940E-01 -0.19741E-01 5415 0.910E-01 0.957E-01 RMM: 3 -0.319647586659E+03 0.79291E-02 -0.15200E-02 5621 0.251E-01 0.266E-01 RMM: 4 -0.319647526320E+03 0.60339E-04 -0.16748E-03 4911 0.932E-02 0.289E-01 RMM: 5 -0.319647039444E+03 0.48688E-03 -0.40400E-04 4016 0.490E-02 0.152E-01 RMM: 6 -0.319646896875E+03 0.14257E-03 -0.12415E-04 3843 0.308E-02 0.571E-02 RMM: 7 -0.319646932169E+03 -0.35294E-04 -0.66280E-05 3474 0.217E-02 0.975E-02 RMM: 8 -0.319646874137E+03 0.58033E-04 -0.51604E-05 3199 0.200E-02 0.459E-02 RMM: 9 -0.319646863502E+03 0.10634E-04 -0.18347E-05 2529 0.124E-02 9048 T= 5472. E= 0.68760430E+03 F= 0.64233918E+03 E0= 0.67150840E+03 EK= 0.45265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319570788948E+03 0.76085E-01 -0.23910E-01 8892 0.216E+01 0.282E-01 RMM: 2 -0.319594550365E+03 -0.23761E-01 -0.19254E-01 5206 0.935E-01 0.974E-01 RMM: 3 -0.319586995034E+03 0.75553E-02 -0.16698E-02 5775 0.251E-01 0.238E-01 RMM: 4 -0.319586893418E+03 0.10162E-03 -0.15367E-03 4943 0.912E-02 0.278E-01 RMM: 5 -0.319586455713E+03 0.43770E-03 -0.36355E-04 4023 0.467E-02 0.141E-01 RMM: 6 -0.319586333360E+03 0.12235E-03 -0.10579E-04 3689 0.289E-02 0.558E-02 RMM: 7 -0.319586366108E+03 -0.32747E-04 -0.63153E-05 3425 0.215E-02 0.923E-02 RMM: 8 -0.319586315064E+03 0.51044E-04 -0.43490E-05 3035 0.189E-02 0.456E-02 RMM: 9 -0.319586303253E+03 0.11811E-04 -0.16784E-05 2513 0.121E-02 9049 T= 5280. E= 0.68588913E+03 F= 0.64221271E+03 E0= 0.67139021E+03 EK= 0.43676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320011424853E+03 -0.42511E+00 -0.20791E-01 8784 0.217E+01 0.268E-01 RMM: 2 -0.320033356332E+03 -0.21931E-01 -0.15998E-01 5264 0.843E-01 0.105E+00 RMM: 3 -0.320024625016E+03 0.87313E-02 -0.14154E-02 5574 0.239E-01 0.245E-01 RMM: 4 -0.320024331546E+03 0.29347E-03 -0.14036E-03 4814 0.841E-02 0.197E-01 RMM: 5 -0.320024163560E+03 0.16799E-03 -0.28713E-04 3907 0.405E-02 0.148E-01 RMM: 6 -0.320024033148E+03 0.13041E-03 -0.10844E-04 3789 0.296E-02 0.607E-02 RMM: 7 -0.320024065624E+03 -0.32476E-04 -0.67826E-05 3463 0.222E-02 0.956E-02 RMM: 8 -0.320024011671E+03 0.53953E-04 -0.43876E-05 3135 0.201E-02 0.468E-02 RMM: 9 -0.320023998129E+03 0.13542E-04 -0.14226E-05 2503 0.114E-02 9050 T= 5473. E= 0.68686319E+03 F= 0.64158991E+03 E0= 0.67077474E+03 EK= 0.45273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320976172761E+03 -0.95216E+00 -0.18892E-01 8856 0.226E+01 0.226E-01 RMM: 2 -0.320993347352E+03 -0.17175E-01 -0.12324E-01 5195 0.748E-01 0.963E-01 RMM: 3 -0.320986239832E+03 0.71075E-02 -0.10858E-02 5724 0.210E-01 0.208E-01 RMM: 4 -0.320985938090E+03 0.30174E-03 -0.90736E-04 4677 0.670E-02 0.145E-01 RMM: 5 -0.320985848875E+03 0.89214E-04 -0.23461E-04 3894 0.413E-02 0.120E-01 RMM: 6 -0.320985779868E+03 0.69007E-04 -0.10398E-04 3740 0.286E-02 0.735E-02 RMM: 7 -0.320985827388E+03 -0.47520E-04 -0.82606E-05 3629 0.250E-02 0.112E-01 RMM: 8 -0.320985744133E+03 0.83254E-04 -0.44473E-05 3160 0.210E-02 0.396E-02 RMM: 9 -0.320985735915E+03 0.82180E-05 -0.12006E-05 2486 0.101E-02 9051 T= 6023. E= 0.69027997E+03 F= 0.64044999E+03 E0= 0.66964059E+03 EK= 0.49830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322406505231E+03 -0.14208E+01 -0.19356E-01 8820 0.240E+01 0.196E-01 RMM: 2 -0.322420920460E+03 -0.14415E-01 -0.10479E-01 5443 0.701E-01 0.876E-01 RMM: 3 -0.322414997158E+03 0.59233E-02 -0.81640E-03 5758 0.180E-01 0.180E-01 RMM: 4 -0.322414731016E+03 0.26614E-03 -0.65926E-04 4701 0.554E-02 0.117E-01 RMM: 5 -0.322414631280E+03 0.99735E-04 -0.16361E-04 3879 0.358E-02 0.841E-02 RMM: 6 -0.322414653273E+03 -0.21993E-04 -0.10961E-04 3850 0.285E-02 0.110E-01 RMM: 7 -0.322414637574E+03 0.15700E-04 -0.73400E-05 3581 0.241E-02 9052 T= 6807. E= 0.69516774E+03 F= 0.63885258E+03 E0= 0.66804637E+03 EK= 0.56315E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324139641246E+03 -0.17250E+01 -0.21713E-01 8484 0.254E+01 0.196E-01 RMM: 2 -0.324155049186E+03 -0.15408E-01 -0.12022E-01 5293 0.800E-01 0.854E-01 RMM: 3 -0.324149863891E+03 0.51853E-02 -0.11023E-02 5870 0.197E-01 0.233E-01 RMM: 4 -0.324149358130E+03 0.50576E-03 -0.63201E-04 4680 0.560E-02 0.126E-01 RMM: 5 -0.324149257899E+03 0.10023E-03 -0.14044E-04 3863 0.335E-02 0.106E-01 RMM: 6 -0.324149286897E+03 -0.28998E-04 -0.13763E-04 3875 0.314E-02 0.146E-01 RMM: 7 -0.324149230181E+03 0.56717E-04 -0.16115E-04 3889 0.353E-02 0.128E-01 RMM: 8 -0.324149122337E+03 0.10784E-03 -0.66865E-05 3486 0.237E-02 0.443E-02 RMM: 9 -0.324149119339E+03 0.29973E-05 -0.22590E-05 2560 0.137E-02 9053 T= 7542. E= 0.69935321E+03 F= 0.63695870E+03 E0= 0.66615271E+03 EK= 0.62395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325940340087E+03 -0.17912E+01 -0.24143E-01 8028 0.263E+01 0.196E-01 RMM: 2 -0.325956491008E+03 -0.16151E-01 -0.13398E-01 5133 0.867E-01 0.815E-01 RMM: 3 -0.325951851612E+03 0.46394E-02 -0.13376E-02 5896 0.217E-01 0.172E-01 RMM: 4 -0.325951514527E+03 0.33709E-03 -0.74280E-04 4713 0.649E-02 0.155E-01 RMM: 5 -0.325951342807E+03 0.17172E-03 -0.18550E-04 3895 0.383E-02 0.741E-02 RMM: 6 -0.325951373897E+03 -0.31090E-04 -0.10890E-04 3849 0.283E-02 0.108E-01 RMM: 7 -0.325951306560E+03 0.67337E-04 -0.73249E-05 3703 0.254E-02 0.713E-02 RMM: 8 -0.325951272838E+03 0.33722E-04 -0.23787E-05 2573 0.149E-02 0.241E-02 RMM: 9 -0.325951272865E+03 -0.27365E-07 -0.11694E-05 2458 0.103E-02 9054 T= 7856. E= 0.69999247E+03 F= 0.63500263E+03 E0= 0.66419177E+03 EK= 0.64990E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327586945552E+03 -0.16357E+01 -0.23765E-01 8136 0.262E+01 0.205E-01 RMM: 2 -0.327601157554E+03 -0.14212E-01 -0.11081E-01 5224 0.784E-01 0.832E-01 RMM: 3 -0.327596191496E+03 0.49661E-02 -0.10593E-02 5816 0.200E-01 0.223E-01 RMM: 4 -0.327595738674E+03 0.45282E-03 -0.66877E-04 4678 0.591E-02 0.119E-01 RMM: 5 -0.327595630169E+03 0.10850E-03 -0.18761E-04 3902 0.398E-02 0.953E-02 RMM: 6 -0.327595662858E+03 -0.32689E-04 -0.12305E-04 3852 0.298E-02 0.133E-01 RMM: 7 -0.327595619393E+03 0.43464E-04 -0.12519E-04 3888 0.313E-02 0.116E-01 RMM: 8 -0.327595529220E+03 0.90174E-04 -0.53587E-05 3315 0.216E-02 0.381E-02 RMM: 9 -0.327595525248E+03 0.39717E-05 -0.17533E-05 2510 0.120E-02 9055 T= 7558. E= 0.69572592E+03 F= 0.63320451E+03 E0= 0.66238249E+03 EK= 0.62521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328960574179E+03 -0.13650E+01 -0.22290E-01 8064 0.252E+01 0.227E-01 RMM: 2 -0.328974178621E+03 -0.13604E-01 -0.10026E-01 5029 0.737E-01 0.877E-01 RMM: 3 -0.328968642822E+03 0.55358E-02 -0.10427E-02 5750 0.205E-01 0.199E-01 RMM: 4 -0.328968360211E+03 0.28261E-03 -0.82413E-04 4672 0.672E-02 0.146E-01 RMM: 5 -0.328968260997E+03 0.99214E-04 -0.23924E-04 3929 0.422E-02 0.116E-01 RMM: 6 -0.328968200306E+03 0.60691E-04 -0.11680E-04 3800 0.307E-02 0.709E-02 RMM: 7 -0.328968238737E+03 -0.38431E-04 -0.66274E-05 3456 0.230E-02 0.108E-01 RMM: 8 -0.328968163820E+03 0.74918E-04 -0.35741E-05 3034 0.193E-02 0.342E-02 RMM: 9 -0.328968157952E+03 0.58674E-05 -0.10120E-05 2470 0.910E-03 9056 T= 6822. E= 0.68811121E+03 F= 0.63167258E+03 E0= 0.66083377E+03 EK= 0.56439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330081799602E+03 -0.11136E+01 -0.19155E-01 8016 0.237E+01 0.225E-01 RMM: 2 -0.330091572086E+03 -0.97725E-02 -0.81996E-02 5140 0.650E-01 0.672E-01 RMM: 3 -0.330088042716E+03 0.35294E-02 -0.75481E-03 5705 0.172E-01 0.178E-01 RMM: 4 -0.330088079807E+03 -0.37091E-04 -0.82961E-04 4658 0.709E-02 0.223E-01 RMM: 5 -0.330087758820E+03 0.32099E-03 -0.25494E-04 3903 0.415E-02 0.103E-01 RMM: 6 -0.330087711367E+03 0.47454E-04 -0.87762E-05 3601 0.269E-02 0.646E-02 RMM: 7 -0.330087743544E+03 -0.32178E-04 -0.53427E-05 3267 0.207E-02 0.998E-02 RMM: 8 -0.330087678064E+03 0.65480E-04 -0.31236E-05 2911 0.182E-02 0.247E-02 RMM: 9 -0.330087676132E+03 0.19327E-05 -0.89422E-06 2460 0.831E-03 9057 T= 6015. E= 0.68014398E+03 F= 0.63038471E+03 E0= 0.65952363E+03 EK= 0.49759E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331042821840E+03 -0.95514E+00 -0.17003E-01 7872 0.223E+01 0.255E-01 RMM: 2 -0.331054164002E+03 -0.11342E-01 -0.79769E-02 5000 0.658E-01 0.884E-01 RMM: 3 -0.331048738522E+03 0.54255E-02 -0.84751E-03 5647 0.188E-01 0.192E-01 RMM: 4 -0.331048867592E+03 -0.12907E-03 -0.10829E-03 4680 0.803E-02 0.260E-01 RMM: 5 -0.331048459981E+03 0.40761E-03 -0.29368E-04 3924 0.438E-02 0.123E-01 RMM: 6 -0.331048370841E+03 0.89140E-04 -0.86260E-05 3577 0.269E-02 0.508E-02 RMM: 7 -0.331048403731E+03 -0.32889E-04 -0.50628E-05 3219 0.198E-02 0.915E-02 RMM: 8 -0.331048349415E+03 0.54316E-04 -0.31456E-05 2881 0.182E-02 0.285E-02 RMM: 9 -0.331048345956E+03 0.34589E-05 -0.98318E-06 2461 0.897E-03 9058 T= 5416. E= 0.67405271E+03 F= 0.62924613E+03 E0= 0.65835866E+03 EK= 0.44807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331950491789E+03 -0.90214E+00 -0.15300E-01 8076 0.215E+01 0.237E-01 RMM: 2 -0.331959365601E+03 -0.88738E-02 -0.62422E-02 5135 0.571E-01 0.792E-01 RMM: 3 -0.331954889960E+03 0.44756E-02 -0.61108E-03 5607 0.161E-01 0.174E-01 RMM: 4 -0.331955148530E+03 -0.25857E-03 -0.90539E-04 4629 0.735E-02 0.275E-01 RMM: 5 -0.331954677530E+03 0.47100E-03 -0.27559E-04 3915 0.425E-02 0.112E-01 RMM: 6 -0.331954603774E+03 0.73756E-04 -0.83447E-05 3577 0.260E-02 0.515E-02 RMM: 7 -0.331954637757E+03 -0.33983E-04 -0.49624E-05 3208 0.198E-02 0.934E-02 RMM: 8 -0.331954579484E+03 0.58273E-04 -0.29541E-05 2875 0.178E-02 0.205E-02 RMM: 9 -0.331954579473E+03 0.10874E-07 -0.86870E-06 2460 0.820E-03 9059 T= 5151. E= 0.67076596E+03 F= 0.62815543E+03 E0= 0.65723851E+03 EK= 0.42611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332878540738E+03 -0.92396E+00 -0.14350E-01 8544 0.213E+01 0.211E-01 RMM: 2 -0.332885927225E+03 -0.73865E-02 -0.51408E-02 5214 0.512E-01 0.733E-01 RMM: 3 -0.332882092360E+03 0.38349E-02 -0.47249E-03 5578 0.143E-01 0.148E-01 RMM: 4 -0.332882255511E+03 -0.16315E-03 -0.73655E-04 4612 0.664E-02 0.230E-01 RMM: 5 -0.332881928613E+03 0.32690E-03 -0.23042E-04 3889 0.389E-02 0.101E-01 RMM: 6 -0.332881877438E+03 0.51175E-04 -0.68801E-05 3477 0.236E-02 0.571E-02 RMM: 7 -0.332881894757E+03 -0.17319E-04 -0.41419E-05 3068 0.187E-02 9060 T= 5249. E= 0.67046261E+03 F= 0.62704257E+03 E0= 0.65609407E+03 EK= 0.43420E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333856439380E+03 -0.97456E+00 -0.14922E-01 8352 0.219E+01 0.188E-01 RMM: 2 -0.333863268419E+03 -0.68290E-02 -0.59880E-02 5112 0.556E-01 0.561E-01 RMM: 3 -0.333861065312E+03 0.22031E-02 -0.60758E-03 5866 0.147E-01 0.160E-01 RMM: 4 -0.333860974918E+03 0.90394E-04 -0.50492E-04 4522 0.547E-02 0.170E-01 RMM: 5 -0.333860762152E+03 0.21277E-03 -0.21726E-04 3884 0.403E-02 0.691E-02 RMM: 6 -0.333860817254E+03 -0.55102E-04 -0.10414E-04 3825 0.280E-02 0.115E-01 RMM: 7 -0.333860758548E+03 0.58706E-04 -0.48870E-05 3264 0.212E-02 0.774E-02 RMM: 8 -0.333860718160E+03 0.40388E-04 -0.24399E-05 2762 0.154E-02 0.226E-02 RMM: 9 -0.333860720092E+03 -0.19321E-05 -0.10962E-05 2464 0.939E-03 9061 T= 5694. E= 0.67298796E+03 F= 0.62588312E+03 E0= 0.65490132E+03 EK= 0.47105E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334861059299E+03 -0.10003E+01 -0.16450E-01 8544 0.230E+01 0.158E-01 RMM: 2 -0.334868930314E+03 -0.78710E-02 -0.64159E-02 5192 0.584E-01 0.629E-01 RMM: 3 -0.334866219612E+03 0.27107E-02 -0.63019E-03 5888 0.148E-01 0.127E-01 RMM: 4 -0.334866073008E+03 0.14660E-03 -0.38989E-04 4169 0.470E-02 0.119E-01 RMM: 5 -0.334865973214E+03 0.99794E-04 -0.13984E-04 3873 0.346E-02 0.719E-02 RMM: 6 -0.334865993435E+03 -0.20220E-04 -0.87612E-05 3622 0.256E-02 0.940E-02 RMM: 7 -0.334865964856E+03 0.28579E-04 -0.39100E-05 3051 0.193E-02 0.767E-02 RMM: 8 -0.334865925087E+03 0.39769E-04 -0.20526E-05 2561 0.142E-02 0.177E-02 RMM: 9 -0.334865924175E+03 0.91148E-06 -0.73164E-06 2443 0.758E-03 9062 T= 6408. E= 0.67771764E+03 F= 0.62470647E+03 E0= 0.65368955E+03 EK= 0.53011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335806346308E+03 -0.94042E+00 -0.18818E-01 8448 0.244E+01 0.141E-01 RMM: 2 -0.335814826836E+03 -0.84805E-02 -0.83085E-02 5184 0.666E-01 0.446E-01 RMM: 3 -0.335813359413E+03 0.14674E-02 -0.76779E-03 5975 0.153E-01 0.142E-01 RMM: 4 -0.335813134564E+03 0.22485E-03 -0.37342E-04 4166 0.493E-02 0.107E-01 RMM: 5 -0.335813042907E+03 0.91657E-04 -0.12199E-04 3874 0.329E-02 0.782E-02 RMM: 6 -0.335813149038E+03 -0.10613E-03 -0.14796E-04 3880 0.321E-02 0.157E-01 RMM: 7 -0.335812989483E+03 0.15956E-03 -0.74056E-05 3584 0.255E-02 0.561E-02 RMM: 8 -0.335812971160E+03 0.18323E-04 -0.20066E-05 2547 0.129E-02 9063 T= 7186. E= 0.68304962E+03 F= 0.62359833E+03 E0= 0.65254459E+03 EK= 0.59451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336572965058E+03 -0.75998E+00 -0.20162E-01 8304 0.255E+01 0.171E-01 RMM: 2 -0.336583367025E+03 -0.10402E-01 -0.86439E-02 5193 0.684E-01 0.684E-01 RMM: 3 -0.336580122656E+03 0.32444E-02 -0.86028E-03 5866 0.174E-01 0.157E-01 RMM: 4 -0.336579858431E+03 0.26422E-03 -0.44733E-04 4296 0.478E-02 0.108E-01 RMM: 5 -0.336579781307E+03 0.77124E-04 -0.12456E-04 3861 0.330E-02 0.855E-02 RMM: 6 -0.336579804138E+03 -0.22831E-04 -0.10744E-04 3810 0.280E-02 0.112E-01 RMM: 7 -0.336579731062E+03 0.73076E-04 -0.68269E-05 3536 0.241E-02 0.671E-02 RMM: 8 -0.336579703729E+03 0.27334E-04 -0.17945E-05 2549 0.130E-02 0.293E-02 RMM: 9 -0.336579702691E+03 0.10372E-05 -0.16121E-05 2472 0.115E-02 9064 T= 7698. E= 0.68635885E+03 F= 0.62267874E+03 E0= 0.65158732E+03 EK= 0.63680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337056452852E+03 -0.47675E+00 -0.20333E-01 8172 0.259E+01 0.159E-01 RMM: 2 -0.337066079915E+03 -0.96271E-02 -0.81871E-02 5196 0.663E-01 0.636E-01 RMM: 3 -0.337063182987E+03 0.28969E-02 -0.78631E-03 5899 0.169E-01 0.155E-01 RMM: 4 -0.337062946125E+03 0.23686E-03 -0.42699E-04 4283 0.475E-02 0.107E-01 RMM: 5 -0.337062858473E+03 0.87652E-04 -0.14119E-04 3862 0.356E-02 0.695E-02 RMM: 6 -0.337062901303E+03 -0.42829E-04 -0.96143E-05 3741 0.264E-02 0.114E-01 RMM: 7 -0.337062836829E+03 0.64474E-04 -0.57358E-05 3355 0.228E-02 0.671E-02 RMM: 8 -0.337062808185E+03 0.28644E-04 -0.18804E-05 2544 0.136E-02 0.254E-02 RMM: 9 -0.337062806511E+03 0.16732E-05 -0.90175E-06 2449 0.866E-03 9065 T= 7664. E= 0.68544716E+03 F= 0.62204663E+03 E0= 0.65091615E+03 EK= 0.63401E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337232168242E+03 -0.16936E+00 -0.19241E-01 8172 0.254E+01 0.182E-01 RMM: 2 -0.337239627291E+03 -0.74590E-02 -0.76178E-02 5223 0.608E-01 0.418E-01 RMM: 3 -0.337237839198E+03 0.17881E-02 -0.60472E-03 5875 0.156E-01 0.134E-01 RMM: 4 -0.337237964839E+03 -0.12564E-03 -0.51283E-04 4538 0.548E-02 0.219E-01 RMM: 5 -0.337237657177E+03 0.30766E-03 -0.18775E-04 3880 0.373E-02 0.780E-02 RMM: 6 -0.337237642141E+03 0.15036E-04 -0.65763E-05 3427 0.231E-02 9066 T= 7108. E= 0.68052019E+03 F= 0.62172155E+03 E0= 0.65055238E+03 EK= 0.58799E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337162690459E+03 0.74967E-01 -0.18133E-01 7944 0.243E+01 0.290E-01 RMM: 2 -0.337179595074E+03 -0.16905E-01 -0.83820E-02 5198 0.661E-01 0.125E+00 RMM: 3 -0.337168573602E+03 0.11021E-01 -0.92477E-03 5407 0.218E-01 0.232E-01 RMM: 4 -0.337168499781E+03 0.73821E-04 -0.12778E-03 4662 0.800E-02 0.224E-01 RMM: 5 -0.337168255033E+03 0.24475E-03 -0.27120E-04 3890 0.414E-02 0.133E-01 RMM: 6 -0.337168146927E+03 0.10811E-03 -0.86255E-05 3587 0.272E-02 0.571E-02 RMM: 7 -0.337168173074E+03 -0.26147E-04 -0.59006E-05 3308 0.212E-02 0.875E-02 RMM: 8 -0.337168125955E+03 0.47119E-04 -0.37504E-05 2993 0.195E-02 0.423E-02 RMM: 9 -0.337168114935E+03 0.11020E-04 -0.11896E-05 2487 0.104E-02 9067 T= 6329. E= 0.67399238E+03 F= 0.62163569E+03 E0= 0.65042716E+03 EK= 0.52357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336958381660E+03 0.20974E+00 -0.16652E-01 8064 0.230E+01 0.281E-01 RMM: 2 -0.336973443992E+03 -0.15062E-01 -0.77670E-02 5178 0.640E-01 0.116E+00 RMM: 3 -0.336963955648E+03 0.94883E-02 -0.86275E-03 5385 0.211E-01 0.239E-01 RMM: 4 -0.336963986578E+03 -0.30931E-04 -0.14596E-03 4696 0.882E-02 0.260E-01 RMM: 5 -0.336963647772E+03 0.33881E-03 -0.32613E-04 3963 0.470E-02 0.140E-01 RMM: 6 -0.336963513289E+03 0.13448E-03 -0.76071E-05 3538 0.257E-02 0.339E-02 RMM: 7 -0.336963516595E+03 -0.33058E-05 -0.21907E-05 2547 0.137E-02 9068 T= 5648. E= 0.66840586E+03 F= 0.62167833E+03 E0= 0.65043185E+03 EK= 0.46728E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336722532631E+03 0.24098E+00 -0.15357E-01 8256 0.221E+01 0.259E-01 RMM: 2 -0.336732429589E+03 -0.98970E-02 -0.70121E-02 5177 0.609E-01 0.837E-01 RMM: 3 -0.336727583776E+03 0.48458E-02 -0.72203E-03 5515 0.177E-01 0.184E-01 RMM: 4 -0.336727884079E+03 -0.30030E-03 -0.10753E-03 4635 0.777E-02 0.297E-01 RMM: 5 -0.336727328720E+03 0.55536E-03 -0.32543E-04 3950 0.464E-02 0.101E-01 RMM: 6 -0.336727267571E+03 0.61150E-04 -0.57438E-05 3350 0.214E-02 0.476E-02 RMM: 7 -0.336727287861E+03 -0.20290E-04 -0.46794E-05 3148 0.186E-02 0.805E-02 RMM: 8 -0.336727246227E+03 0.41634E-04 -0.35088E-05 2942 0.189E-02 0.232E-02 RMM: 9 -0.336727249828E+03 -0.36004E-05 -0.11245E-05 2481 0.960E-03 9069 T= 5250. E= 0.66518347E+03 F= 0.62174782E+03 E0= 0.65046498E+03 EK= 0.43436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336519724473E+03 0.20752E+00 -0.14705E-01 8076 0.218E+01 0.217E-01 RMM: 2 -0.336527233083E+03 -0.75086E-02 -0.65612E-02 5056 0.586E-01 0.610E-01 RMM: 3 -0.336524665146E+03 0.25679E-02 -0.68718E-03 5702 0.159E-01 0.155E-01 RMM: 4 -0.336524927111E+03 -0.26197E-03 -0.70779E-04 4609 0.642E-02 0.275E-01 RMM: 5 -0.336524415479E+03 0.51163E-03 -0.24254E-04 3886 0.402E-02 0.691E-02 RMM: 6 -0.336524388789E+03 0.26690E-04 -0.42752E-05 3122 0.191E-02 0.403E-02 RMM: 7 -0.336524396710E+03 -0.79208E-05 -0.25386E-05 2564 0.150E-02 9070 T= 5201. E= 0.66481127E+03 F= 0.62178340E+03 E0= 0.65046578E+03 EK= 0.43028E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336366085829E+03 0.15830E+00 -0.14681E-01 8004 0.221E+01 0.186E-01 RMM: 2 -0.336373581179E+03 -0.74953E-02 -0.65544E-02 4986 0.593E-01 0.568E-01 RMM: 3 -0.336371299195E+03 0.22820E-02 -0.70120E-03 5876 0.156E-01 0.139E-01 RMM: 4 -0.336371306251E+03 -0.70560E-05 -0.54628E-04 4563 0.569E-02 0.196E-01 RMM: 5 -0.336371044282E+03 0.26197E-03 -0.17515E-04 3880 0.350E-02 0.597E-02 RMM: 6 -0.336371064764E+03 -0.20482E-04 -0.61049E-05 3375 0.218E-02 0.848E-02 RMM: 7 -0.336371040863E+03 0.23901E-04 -0.34487E-05 2894 0.183E-02 0.677E-02 RMM: 8 -0.336371010121E+03 0.30742E-04 -0.19790E-05 2568 0.142E-02 0.166E-02 RMM: 9 -0.336371013007E+03 -0.28864E-05 -0.72302E-06 2452 0.759E-03 9071 T= 5507. E= 0.66733331E+03 F= 0.62177435E+03 E0= 0.65042439E+03 EK= 0.45559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336228677707E+03 0.14233E+00 -0.15158E-01 8340 0.231E+01 0.162E-01 RMM: 2 -0.336235667987E+03 -0.69903E-02 -0.59891E-02 5225 0.572E-01 0.576E-01 RMM: 3 -0.336233389997E+03 0.22780E-02 -0.56294E-03 5833 0.142E-01 0.116E-01 RMM: 4 -0.336233312684E+03 0.77314E-04 -0.38676E-04 4157 0.475E-02 0.137E-01 RMM: 5 -0.336233194432E+03 0.11825E-03 -0.13684E-04 3872 0.339E-02 0.746E-02 RMM: 6 -0.336233188133E+03 0.62986E-05 -0.75735E-05 3515 0.241E-02 9072 T= 6124. E= 0.67242470E+03 F= 0.62175894E+03 E0= 0.65037943E+03 EK= 0.50666E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336022953580E+03 0.21024E+00 -0.17753E-01 8304 0.244E+01 0.222E-01 RMM: 2 -0.336038599548E+03 -0.15646E-01 -0.86109E-02 5233 0.694E-01 0.113E+00 RMM: 3 -0.336029881390E+03 0.87182E-02 -0.89633E-03 5472 0.203E-01 0.216E-01 RMM: 4 -0.336029555795E+03 0.32559E-03 -0.76463E-04 4724 0.567E-02 0.103E-01 RMM: 5 -0.336029468301E+03 0.87494E-04 -0.16289E-04 3873 0.371E-02 0.827E-02 RMM: 6 -0.336029501772E+03 -0.33471E-04 -0.10703E-04 3865 0.277E-02 0.120E-01 RMM: 7 -0.336029465940E+03 0.35832E-04 -0.89832E-05 3821 0.267E-02 0.106E-01 RMM: 8 -0.336029390426E+03 0.75514E-04 -0.43635E-05 3192 0.196E-02 0.320E-02 RMM: 9 -0.336029390878E+03 -0.45236E-06 -0.18332E-05 2508 0.124E-02 9073 T= 6908. E= 0.67896742E+03 F= 0.62182059E+03 E0= 0.65041512E+03 EK= 0.57147E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335643880197E+03 0.38551E+00 -0.19759E-01 8520 0.257E+01 0.222E-01 RMM: 2 -0.335660760297E+03 -0.16880E-01 -0.10130E-01 5272 0.768E-01 0.113E+00 RMM: 3 -0.335652169692E+03 0.85906E-02 -0.99521E-03 5555 0.206E-01 0.196E-01 RMM: 4 -0.335651889689E+03 0.28000E-03 -0.90055E-04 4654 0.679E-02 0.135E-01 RMM: 5 -0.335651764052E+03 0.12564E-03 -0.19179E-04 3874 0.377E-02 0.871E-02 RMM: 6 -0.335651739668E+03 0.24384E-04 -0.68268E-05 3503 0.233E-02 0.735E-02 RMM: 7 -0.335651722502E+03 0.17165E-04 -0.56728E-05 3367 0.222E-02 9074 T= 7566. E= 0.68465977E+03 F= 0.62206615E+03 E0= 0.65063854E+03 EK= 0.62594E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335016779527E+03 0.63496E+00 -0.21082E-01 8340 0.263E+01 0.184E-01 RMM: 2 -0.335029898716E+03 -0.13119E-01 -0.11313E-01 5237 0.787E-01 0.717E-01 RMM: 3 -0.335026433405E+03 0.34653E-02 -0.10963E-02 5932 0.192E-01 0.174E-01 RMM: 4 -0.335026089199E+03 0.34421E-03 -0.52843E-04 4518 0.539E-02 0.120E-01 RMM: 5 -0.335025974446E+03 0.11475E-03 -0.14609E-04 3886 0.348E-02 0.897E-02 RMM: 6 -0.335026053738E+03 -0.79292E-04 -0.14301E-04 3882 0.317E-02 0.152E-01 RMM: 7 -0.335025913743E+03 0.14000E-03 -0.10820E-04 3881 0.294E-02 0.772E-02 RMM: 8 -0.335025876018E+03 0.37725E-04 -0.25914E-05 2681 0.150E-02 0.348E-02 RMM: 9 -0.335025873337E+03 0.26803E-05 -0.27685E-05 2530 0.151E-02 9075 T= 7765. E= 0.68680699E+03 F= 0.62256658E+03 E0= 0.65112347E+03 EK= 0.64240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334165060055E+03 0.86082E+00 -0.21434E-01 8544 0.260E+01 0.190E-01 RMM: 2 -0.334179054098E+03 -0.13994E-01 -0.11787E-01 4972 0.800E-01 0.752E-01 RMM: 3 -0.334175073777E+03 0.39803E-02 -0.12556E-02 5929 0.212E-01 0.134E-01 RMM: 4 -0.334174913423E+03 0.16035E-03 -0.70374E-04 4676 0.643E-02 0.156E-01 RMM: 5 -0.334174754719E+03 0.15870E-03 -0.15908E-04 3880 0.353E-02 0.713E-02 RMM: 6 -0.334174745535E+03 0.91837E-05 -0.58303E-05 3315 0.218E-02 9076 T= 7390. E= 0.68443230E+03 F= 0.62329471E+03 E0= 0.65184027E+03 EK= 0.61138E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333219103510E+03 0.95565E+00 -0.20658E-01 7980 0.249E+01 0.283E-01 RMM: 2 -0.333240185459E+03 -0.21082E-01 -0.12789E-01 4984 0.819E-01 0.121E+00 RMM: 3 -0.333229373757E+03 0.10812E-01 -0.14593E-02 5468 0.258E-01 0.200E-01 RMM: 4 -0.333229454805E+03 -0.81048E-04 -0.14118E-03 4888 0.843E-02 0.257E-01 RMM: 5 -0.333229066888E+03 0.38792E-03 -0.29279E-04 3922 0.423E-02 0.127E-01 RMM: 6 -0.333228974112E+03 0.92776E-04 -0.10141E-04 3719 0.281E-02 0.631E-02 RMM: 7 -0.333229028402E+03 -0.54290E-04 -0.89279E-05 3774 0.253E-02 0.113E-01 RMM: 8 -0.333228942101E+03 0.86302E-04 -0.52645E-05 3280 0.209E-02 0.280E-02 RMM: 9 -0.333228941368E+03 0.73310E-06 -0.13173E-05 2492 0.105E-02 9077 T= 6660. E= 0.67921313E+03 F= 0.62411611E+03 E0= 0.65265613E+03 EK= 0.55097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332359352897E+03 0.86959E+00 -0.18083E-01 7992 0.234E+01 0.287E-01 RMM: 2 -0.332381313493E+03 -0.21961E-01 -0.11747E-01 5005 0.792E-01 0.134E+00 RMM: 3 -0.332368376522E+03 0.12937E-01 -0.12796E-02 5435 0.254E-01 0.226E-01 RMM: 4 -0.332368258461E+03 0.11806E-03 -0.14872E-03 4914 0.870E-02 0.208E-01 RMM: 5 -0.332368080106E+03 0.17836E-03 -0.25436E-04 3892 0.398E-02 0.144E-01 RMM: 6 -0.332367940391E+03 0.13972E-03 -0.75058E-05 3517 0.253E-02 0.311E-02 RMM: 7 -0.332367944665E+03 -0.42739E-05 -0.20593E-05 2552 0.133E-02 9078 T= 5924. E= 0.67385364E+03 F= 0.62484934E+03 E0= 0.65338745E+03 EK= 0.49004E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331745021013E+03 0.62292E+00 -0.16067E-01 8172 0.222E+01 0.256E-01 RMM: 2 -0.331757926753E+03 -0.12906E-01 -0.10406E-01 5143 0.745E-01 0.796E-01 RMM: 3 -0.331753255233E+03 0.46715E-02 -0.10045E-02 5725 0.203E-01 0.210E-01 RMM: 4 -0.331753326739E+03 -0.71505E-04 -0.10858E-03 4731 0.798E-02 0.268E-01 RMM: 5 -0.331752839693E+03 0.48705E-03 -0.30385E-04 3951 0.457E-02 0.818E-02 RMM: 6 -0.331752802789E+03 0.36904E-04 -0.43819E-05 3123 0.196E-02 0.473E-02 RMM: 7 -0.331752816677E+03 -0.13888E-04 -0.39758E-05 2939 0.178E-02 9079 T= 5429. E= 0.67024960E+03 F= 0.62533381E+03 E0= 0.65387378E+03 EK= 0.44916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331479802114E+03 0.27300E+00 -0.15028E-01 8100 0.215E+01 0.219E-01 RMM: 2 -0.331490551753E+03 -0.10750E-01 -0.98694E-02 5005 0.720E-01 0.595E-01 RMM: 3 -0.331487803131E+03 0.27486E-02 -0.10127E-02 5878 0.194E-01 0.160E-01 RMM: 4 -0.331487905451E+03 -0.10232E-03 -0.76831E-04 4664 0.666E-02 0.252E-01 RMM: 5 -0.331487489705E+03 0.41575E-03 -0.22467E-04 3894 0.393E-02 0.789E-02 RMM: 6 -0.331487450659E+03 0.39047E-04 -0.40970E-05 3085 0.190E-02 0.338E-02 RMM: 7 -0.331487458700E+03 -0.80408E-05 -0.23612E-05 2565 0.142E-02 9080 T= 5285. E= 0.66919233E+03 F= 0.62546827E+03 E0= 0.65401267E+03 EK= 0.43724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331606338686E+03 -0.11889E+00 -0.15961E-01 8112 0.216E+01 0.182E-01 RMM: 2 -0.331618462305E+03 -0.12124E-01 -0.10948E-01 4937 0.754E-01 0.589E-01 RMM: 3 -0.331615561026E+03 0.29013E-02 -0.11150E-02 5964 0.197E-01 0.136E-01 RMM: 4 -0.331615454135E+03 0.10689E-03 -0.63323E-04 4658 0.608E-02 0.176E-01 RMM: 5 -0.331615247631E+03 0.20650E-03 -0.14061E-04 3868 0.311E-02 0.733E-02 RMM: 6 -0.331615221650E+03 0.25981E-04 -0.43957E-05 3120 0.194E-02 0.474E-02 RMM: 7 -0.331615236350E+03 -0.14699E-04 -0.34446E-05 2797 0.173E-02 9081 T= 5515. E= 0.67083787E+03 F= 0.62521310E+03 E0= 0.65376451E+03 EK= 0.45625E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332107757554E+03 -0.49254E+00 -0.16730E-01 8280 0.224E+01 0.165E-01 RMM: 2 -0.332120733681E+03 -0.12976E-01 -0.11594E-01 4926 0.772E-01 0.616E-01 RMM: 3 -0.332117724308E+03 0.30094E-02 -0.11772E-02 6052 0.198E-01 0.126E-01 RMM: 4 -0.332117510026E+03 0.21428E-03 -0.56944E-04 4554 0.572E-02 0.131E-01 RMM: 5 -0.332117397203E+03 0.11282E-03 -0.12924E-04 3879 0.326E-02 0.666E-02 RMM: 6 -0.332117394253E+03 0.29505E-05 -0.55451E-05 3284 0.208E-02 9082 T= 6084. E= 0.67491744E+03 F= 0.62459033E+03 E0= 0.65315127E+03 EK= 0.50327E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332891287846E+03 -0.77389E+00 -0.18612E-01 8220 0.237E+01 0.209E-01 RMM: 2 -0.332912648063E+03 -0.21360E-01 -0.14479E-01 5096 0.846E-01 0.109E+00 RMM: 3 -0.332903731724E+03 0.89163E-02 -0.14359E-02 5591 0.240E-01 0.202E-01 RMM: 4 -0.332903356450E+03 0.37527E-03 -0.96459E-04 4893 0.638E-02 0.102E-01 RMM: 5 -0.332903274732E+03 0.81718E-04 -0.14548E-04 3879 0.340E-02 0.756E-02 RMM: 6 -0.332903274406E+03 0.32612E-06 -0.59679E-05 3347 0.211E-02 9083 T= 6856. E= 0.68040853E+03 F= 0.62369217E+03 E0= 0.65226282E+03 EK= 0.56716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333798308191E+03 -0.89503E+00 -0.20854E-01 8592 0.251E+01 0.415E-01 RMM: 2 -0.333847915813E+03 -0.49608E-01 -0.16513E-01 5186 0.971E-01 0.234E+00 RMM: 3 -0.333810830345E+03 0.37085E-01 -0.22945E-02 5379 0.366E-01 0.400E-01 RMM: 4 -0.333809628174E+03 0.12022E-02 -0.25885E-03 5060 0.104E-01 0.111E-01 RMM: 5 -0.333809551432E+03 0.76741E-04 -0.29194E-04 3949 0.399E-02 0.104E-01 RMM: 6 -0.333809496863E+03 0.54569E-04 -0.82864E-05 3808 0.250E-02 0.730E-02 RMM: 7 -0.333809548537E+03 -0.51674E-04 -0.95103E-05 3866 0.265E-02 0.125E-01 RMM: 8 -0.333809436304E+03 0.11223E-03 -0.56172E-05 3369 0.216E-02 0.377E-02 RMM: 9 -0.333809433511E+03 0.27929E-05 -0.19583E-05 2543 0.127E-02 9084 T= 7547. E= 0.68511147E+03 F= 0.62268134E+03 E0= 0.65126641E+03 EK= 0.62430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334628871371E+03 -0.81944E+00 -0.22510E-01 8664 0.260E+01 0.300E-01 RMM: 2 -0.334659380359E+03 -0.30509E-01 -0.17929E-01 5149 0.978E-01 0.147E+00 RMM: 3 -0.334643869247E+03 0.15511E-01 -0.18651E-02 5431 0.302E-01 0.345E-01 RMM: 4 -0.334643105440E+03 0.76381E-03 -0.20368E-03 4941 0.976E-02 0.153E-01 RMM: 5 -0.334642960543E+03 0.14490E-03 -0.35574E-04 4079 0.494E-02 0.114E-01 RMM: 6 -0.334642880631E+03 0.79912E-04 -0.92197E-05 3764 0.258E-02 0.600E-02 RMM: 7 -0.334642891535E+03 -0.10904E-04 -0.63575E-05 3491 0.227E-02 9085 T= 7803. E= 0.68629957E+03 F= 0.62174831E+03 E0= 0.65034779E+03 EK= 0.64551E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335251093833E+03 -0.60821E+00 -0.22795E-01 8940 0.259E+01 0.242E-01 RMM: 2 -0.335274039601E+03 -0.22946E-01 -0.16079E-01 5130 0.924E-01 0.116E+00 RMM: 3 -0.335264415138E+03 0.96245E-02 -0.15404E-02 5754 0.254E-01 0.231E-01 RMM: 4 -0.335263921984E+03 0.49315E-03 -0.10291E-03 4846 0.689E-02 0.106E-01 RMM: 5 -0.335263846767E+03 0.75217E-04 -0.19162E-04 3909 0.381E-02 0.967E-02 RMM: 6 -0.335263819621E+03 0.27146E-04 -0.90134E-05 3696 0.256E-02 0.848E-02 RMM: 7 -0.335263838405E+03 -0.18784E-04 -0.86434E-05 3860 0.250E-02 9086 T= 7470. E= 0.68282253E+03 F= 0.62102940E+03 E0= 0.64964433E+03 EK= 0.61793E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335640396612E+03 -0.37658E+00 -0.21491E-01 8904 0.250E+01 0.203E-01 RMM: 2 -0.335657466782E+03 -0.17070E-01 -0.14654E-01 5080 0.859E-01 0.765E-01 RMM: 3 -0.335652650738E+03 0.48160E-02 -0.13657E-02 5961 0.227E-01 0.145E-01 RMM: 4 -0.335652472186E+03 0.17855E-03 -0.76367E-04 4736 0.644E-02 0.163E-01 RMM: 5 -0.335652300964E+03 0.17122E-03 -0.15866E-04 3886 0.337E-02 0.771E-02 RMM: 6 -0.335652279418E+03 0.21546E-04 -0.55027E-05 3277 0.210E-02 0.619E-02 RMM: 7 -0.335652289899E+03 -0.10481E-04 -0.51134E-05 3213 0.209E-02 9087 T= 6739. E= 0.67629049E+03 F= 0.62054141E+03 E0= 0.64917374E+03 EK= 0.55749E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335883179211E+03 -0.23090E+00 -0.19885E-01 8316 0.237E+01 0.221E-01 RMM: 2 -0.335900374378E+03 -0.17195E-01 -0.14741E-01 4979 0.881E-01 0.779E-01 RMM: 3 -0.335895603403E+03 0.47710E-02 -0.14850E-02 5863 0.241E-01 0.175E-01 RMM: 4 -0.335895463744E+03 0.13966E-03 -0.92104E-04 4778 0.714E-02 0.199E-01 RMM: 5 -0.335895217900E+03 0.24584E-03 -0.18923E-04 3891 0.358E-02 0.926E-02 RMM: 6 -0.335895166249E+03 0.51651E-04 -0.51692E-05 3224 0.210E-02 0.397E-02 RMM: 7 -0.335895179649E+03 -0.13400E-04 -0.33364E-05 2705 0.171E-02 9088 T= 5965. E= 0.66954212E+03 F= 0.62019554E+03 E0= 0.64884439E+03 EK= 0.49347E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336107185843E+03 -0.21202E+00 -0.16524E-01 8628 0.224E+01 0.236E-01 RMM: 2 -0.336122060497E+03 -0.14875E-01 -0.10822E-01 5153 0.754E-01 0.914E-01 RMM: 3 -0.336115879638E+03 0.61809E-02 -0.10404E-02 5691 0.209E-01 0.186E-01 RMM: 4 -0.336115833139E+03 0.46499E-04 -0.96079E-04 4678 0.728E-02 0.212E-01 RMM: 5 -0.336115571676E+03 0.26146E-03 -0.20971E-04 3883 0.372E-02 0.103E-01 RMM: 6 -0.336115503923E+03 0.67752E-04 -0.52318E-05 3257 0.218E-02 0.352E-02 RMM: 7 -0.336115513319E+03 -0.93952E-05 -0.23191E-05 2557 0.141E-02 9089 T= 5411. E= 0.66463567E+03 F= 0.61986891E+03 E0= 0.64853143E+03 EK= 0.44767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336408669700E+03 -0.29317E+00 -0.14486E-01 8544 0.217E+01 0.201E-01 RMM: 2 -0.336419558543E+03 -0.10889E-01 -0.90250E-02 5075 0.687E-01 0.684E-01 RMM: 3 -0.336416052616E+03 0.35059E-02 -0.90455E-03 5727 0.192E-01 0.168E-01 RMM: 4 -0.336416025438E+03 0.27178E-04 -0.72487E-04 4663 0.625E-02 0.194E-01 RMM: 5 -0.336415789483E+03 0.23595E-03 -0.16371E-04 3872 0.328E-02 0.903E-02 RMM: 6 -0.336415738959E+03 0.50524E-04 -0.46240E-05 3163 0.204E-02 0.362E-02 RMM: 7 -0.336415750239E+03 -0.11280E-04 -0.32050E-05 2696 0.167E-02 9090 T= 5194. E= 0.66243327E+03 F= 0.61946114E+03 E0= 0.64813373E+03 EK= 0.42972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336842914616E+03 -0.42718E+00 -0.13976E-01 8064 0.217E+01 0.188E-01 RMM: 2 -0.336853823792E+03 -0.10909E-01 -0.79360E-02 4998 0.658E-01 0.788E-01 RMM: 3 -0.336849489831E+03 0.43340E-02 -0.87233E-03 5785 0.184E-01 0.153E-01 RMM: 4 -0.336849356015E+03 0.13382E-03 -0.61852E-04 4653 0.578E-02 0.146E-01 RMM: 5 -0.336849244068E+03 0.11195E-03 -0.12646E-04 3800 0.293E-02 0.906E-02 RMM: 6 -0.336849193160E+03 0.50908E-04 -0.46627E-05 3177 0.206E-02 0.365E-02 RMM: 7 -0.336849213191E+03 -0.20032E-04 -0.28131E-05 2619 0.158E-02 0.721E-02 RMM: 8 -0.336849178471E+03 0.34720E-04 -0.20874E-05 2544 0.143E-02 0.218E-02 RMM: 9 -0.336849176228E+03 0.22437E-05 -0.72088E-06 2443 0.781E-03 9091 T= 5342. E= 0.66311661E+03 F= 0.61892217E+03 E0= 0.64760049E+03 EK= 0.44194E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337403123703E+03 -0.55395E+00 -0.14192E-01 8040 0.225E+01 0.148E-01 RMM: 2 -0.337411787555E+03 -0.86639E-02 -0.69548E-02 5138 0.609E-01 0.618E-01 RMM: 3 -0.337408950864E+03 0.28367E-02 -0.67110E-03 5742 0.159E-01 0.110E-01 RMM: 4 -0.337408882018E+03 0.68846E-04 -0.40917E-04 4320 0.473E-02 0.122E-01 RMM: 5 -0.337408766784E+03 0.11523E-03 -0.89833E-05 3672 0.268E-02 0.557E-02 RMM: 6 -0.337408767784E+03 -0.10005E-05 -0.41537E-05 3066 0.185E-02 9092 T= 5833. E= 0.66651579E+03 F= 0.61826215E+03 E0= 0.64694047E+03 EK= 0.48254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338012314019E+03 -0.60355E+00 -0.15950E-01 8064 0.237E+01 0.222E-01 RMM: 2 -0.338031409475E+03 -0.19095E-01 -0.87668E-02 5119 0.722E-01 0.131E+00 RMM: 3 -0.338019639451E+03 0.11770E-01 -0.10187E-02 5446 0.224E-01 0.198E-01 RMM: 4 -0.338019376754E+03 0.26270E-03 -0.89038E-04 4886 0.581E-02 0.913E-02 RMM: 5 -0.338019316031E+03 0.60723E-04 -0.10157E-04 3778 0.293E-02 0.782E-02 RMM: 6 -0.338019298756E+03 0.17275E-04 -0.41679E-05 2964 0.190E-02 9093 T= 6568. E= 0.67189387E+03 F= 0.61755822E+03 E0= 0.64623008E+03 EK= 0.54336E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338530144067E+03 -0.51083E+00 -0.17674E-01 8124 0.251E+01 0.418E-01 RMM: 2 -0.338572300189E+03 -0.42156E-01 -0.11717E-01 5190 0.877E-01 0.223E+00 RMM: 3 -0.338538647550E+03 0.33653E-01 -0.19925E-02 5356 0.356E-01 0.441E-01 RMM: 4 -0.338537223912E+03 0.14236E-02 -0.23012E-03 5037 0.100E-01 0.109E-01 RMM: 5 -0.338537144825E+03 0.79087E-04 -0.24947E-04 3935 0.361E-02 0.996E-02 RMM: 6 -0.338537089545E+03 0.55280E-04 -0.65257E-05 3543 0.234E-02 0.667E-02 RMM: 7 -0.338537125418E+03 -0.35872E-04 -0.89945E-05 3836 0.261E-02 0.113E-01 RMM: 8 -0.338537033983E+03 0.91434E-04 -0.35770E-05 2957 0.179E-02 0.407E-02 RMM: 9 -0.338537029724E+03 0.42597E-05 -0.20818E-05 2517 0.130E-02 9094 T= 7313. E= 0.67744984E+03 F= 0.61695418E+03 E0= 0.64561341E+03 EK= 0.60496E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338780566374E+03 -0.24353E+00 -0.19584E-01 8016 0.262E+01 0.309E-01 RMM: 2 -0.338806340642E+03 -0.25774E-01 -0.11743E-01 5159 0.856E-01 0.152E+00 RMM: 3 -0.338790244843E+03 0.16096E-01 -0.14336E-02 5369 0.277E-01 0.296E-01 RMM: 4 -0.338789767236E+03 0.47761E-03 -0.18955E-03 4867 0.966E-02 0.195E-01 RMM: 5 -0.338789541232E+03 0.22600E-03 -0.35540E-04 4286 0.510E-02 0.110E-01 RMM: 6 -0.338789462887E+03 0.78345E-04 -0.85278E-05 3741 0.250E-02 0.507E-02 RMM: 7 -0.338789481825E+03 -0.18938E-04 -0.47402E-05 3171 0.195E-02 9095 T= 7722. E= 0.68050592E+03 F= 0.61662099E+03 E0= 0.64525869E+03 EK= 0.63885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338645753591E+03 0.14371E+00 -0.20613E-01 8076 0.263E+01 0.208E-01 RMM: 2 -0.338662370010E+03 -0.16616E-01 -0.11416E-01 5062 0.827E-01 0.101E+00 RMM: 3 -0.338655482481E+03 0.68875E-02 -0.12355E-02 5599 0.231E-01 0.192E-01 RMM: 4 -0.338655155812E+03 0.32667E-03 -0.75133E-04 4802 0.589E-02 0.933E-02 RMM: 5 -0.338655091466E+03 0.64347E-04 -0.11918E-04 3876 0.330E-02 0.796E-02 RMM: 6 -0.338655078100E+03 0.13366E-04 -0.55723E-05 3278 0.210E-02 9096 T= 7562. E= 0.67923225E+03 F= 0.61667772E+03 E0= 0.64528606E+03 EK= 0.62555E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338122814985E+03 0.53228E+00 -0.20406E-01 7668 0.256E+01 0.334E-01 RMM: 2 -0.338157744325E+03 -0.34929E-01 -0.12473E-01 4854 0.871E-01 0.192E+00 RMM: 3 -0.338132658724E+03 0.25086E-01 -0.18135E-02 5380 0.318E-01 0.288E-01 RMM: 4 -0.338132105537E+03 0.55319E-03 -0.17005E-03 4961 0.838E-02 0.111E-01 RMM: 5 -0.338132096935E+03 0.86022E-05 -0.21729E-04 3962 0.373E-02 0.129E-01 RMM: 6 -0.338131993603E+03 0.10333E-03 -0.80178E-05 3561 0.252E-02 0.604E-02 RMM: 7 -0.338132024678E+03 -0.31075E-04 -0.69595E-05 3506 0.234E-02 0.943E-02 RMM: 8 -0.338131964573E+03 0.60105E-04 -0.42990E-05 3050 0.191E-02 0.416E-02 RMM: 9 -0.338131955575E+03 0.89981E-05 -0.16716E-05 2504 0.121E-02 9097 T= 6922. E= 0.67438315E+03 F= 0.61712367E+03 E0= 0.64569975E+03 EK= 0.57259E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337322588016E+03 0.80938E+00 -0.18215E-01 7680 0.243E+01 0.309E-01 RMM: 2 -0.337351052280E+03 -0.28464E-01 -0.11441E-01 4901 0.816E-01 0.167E+00 RMM: 3 -0.337331442487E+03 0.19610E-01 -0.15329E-02 5386 0.292E-01 0.255E-01 RMM: 4 -0.337331128647E+03 0.31384E-03 -0.16688E-03 5097 0.886E-02 0.164E-01 RMM: 5 -0.337331063209E+03 0.65438E-04 -0.22416E-04 3903 0.351E-02 0.146E-01 RMM: 6 -0.337330919161E+03 0.14405E-03 -0.75644E-05 3519 0.256E-02 0.356E-02 RMM: 7 -0.337330924958E+03 -0.57969E-05 -0.25442E-05 2611 0.149E-02 9098 T= 6131. E= 0.66856403E+03 F= 0.61784650E+03 E0= 0.64638577E+03 EK= 0.50718E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336399719949E+03 0.93120E+00 -0.16436E-01 7704 0.230E+01 0.265E-01 RMM: 2 -0.336417825121E+03 -0.18105E-01 -0.10945E-01 5057 0.803E-01 0.116E+00 RMM: 3 -0.336408592085E+03 0.92330E-02 -0.12210E-02 5557 0.239E-01 0.249E-01 RMM: 4 -0.336408297137E+03 0.29495E-03 -0.12474E-03 4818 0.812E-02 0.181E-01 RMM: 5 -0.336408088591E+03 0.20855E-03 -0.21128E-04 3881 0.377E-02 0.898E-02 RMM: 6 -0.336408038593E+03 0.49999E-04 -0.39130E-05 3024 0.190E-02 0.418E-02 RMM: 7 -0.336408044912E+03 -0.63194E-05 -0.34929E-05 2717 0.176E-02 9099 T= 5492. E= 0.66412140E+03 F= 0.61869009E+03 E0= 0.64719076E+03 EK= 0.45431E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335490664672E+03 0.91737E+00 -0.14909E-01 8028 0.221E+01 0.224E-01 RMM: 2 -0.335503131717E+03 -0.12467E-01 -0.92659E-02 5063 0.734E-01 0.846E-01 RMM: 3 -0.335498233115E+03 0.48986E-02 -0.10087E-02 5702 0.203E-01 0.161E-01 RMM: 4 -0.335498214543E+03 0.18571E-04 -0.81510E-04 4667 0.670E-02 0.203E-01 RMM: 5 -0.335497943851E+03 0.27069E-03 -0.17211E-04 3880 0.343E-02 0.814E-02 RMM: 6 -0.335497902024E+03 0.41827E-04 -0.36707E-05 2991 0.186E-02 0.342E-02 RMM: 7 -0.335497903967E+03 -0.19429E-05 -0.20029E-05 2527 0.131E-02 9100 T= 5164. E= 0.66224304E+03 F= 0.61952134E+03 E0= 0.64798436E+03 EK= 0.42722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334680546415E+03 0.81736E+00 -0.14262E-01 7932 0.218E+01 0.187E-01 RMM: 2 -0.334691393791E+03 -0.10847E-01 -0.86798E-02 5033 0.696E-01 0.711E-01 RMM: 3 -0.334687847300E+03 0.35465E-02 -0.93594E-03 5788 0.189E-01 0.138E-01 RMM: 4 -0.334687749587E+03 0.97712E-04 -0.59244E-04 4660 0.556E-02 0.155E-01 RMM: 5 -0.334687580834E+03 0.16875E-03 -0.11265E-04 3777 0.282E-02 0.632E-02 RMM: 6 -0.334687559335E+03 0.21499E-04 -0.27876E-05 2739 0.160E-02 0.406E-02 RMM: 7 -0.334687563605E+03 -0.42704E-05 -0.28496E-05 2583 0.155E-02 9101 T= 5205. E= 0.66331260E+03 F= 0.62025568E+03 E0= 0.64868170E+03 EK= 0.43057E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334007865485E+03 0.67969E+00 -0.14141E-01 8052 0.223E+01 0.176E-01 RMM: 2 -0.334017603887E+03 -0.97384E-02 -0.75563E-02 5078 0.646E-01 0.701E-01 RMM: 3 -0.334014134230E+03 0.34697E-02 -0.80251E-03 5775 0.176E-01 0.127E-01 RMM: 4 -0.334014035240E+03 0.98989E-04 -0.50670E-04 4544 0.505E-02 0.129E-01 RMM: 5 -0.334013929305E+03 0.10594E-03 -0.91631E-05 3644 0.257E-02 0.658E-02 RMM: 6 -0.334013904815E+03 0.24490E-04 -0.29628E-05 2822 0.166E-02 0.370E-02 RMM: 7 -0.334013910148E+03 -0.53329E-05 -0.24147E-05 2550 0.148E-02 9102 T= 5620. E= 0.66735038E+03 F= 0.62085870E+03 E0= 0.64925030E+03 EK= 0.46492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333458222425E+03 0.55568E+00 -0.15651E-01 7848 0.235E+01 0.154E-01 RMM: 2 -0.333468613051E+03 -0.10391E-01 -0.87706E-02 5136 0.697E-01 0.645E-01 RMM: 3 -0.333465769327E+03 0.28437E-02 -0.91130E-03 5933 0.174E-01 0.117E-01 RMM: 4 -0.333465566915E+03 0.20241E-03 -0.42428E-04 4355 0.474E-02 0.103E-01 RMM: 5 -0.333465486117E+03 0.80799E-04 -0.73387E-05 3515 0.251E-02 0.582E-02 RMM: 6 -0.333465481254E+03 0.48629E-05 -0.31334E-05 2760 0.163E-02 9103 T= 6356. E= 0.67392806E+03 F= 0.62134344E+03 E0= 0.64970469E+03 EK= 0.52585E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332979970882E+03 0.48552E+00 -0.17404E-01 7980 0.250E+01 0.194E-01 RMM: 2 -0.332994742261E+03 -0.14771E-01 -0.96737E-02 5222 0.735E-01 0.970E-01 RMM: 3 -0.332988255844E+03 0.64864E-02 -0.97024E-03 5573 0.199E-01 0.185E-01 RMM: 4 -0.332987964787E+03 0.29106E-03 -0.67383E-04 4703 0.544E-02 0.889E-02 RMM: 5 -0.332987901188E+03 0.63599E-04 -0.93913E-05 3768 0.264E-02 0.665E-02 RMM: 6 -0.332987891456E+03 0.97324E-05 -0.30823E-05 2709 0.164E-02 9104 T= 7227. E= 0.68155478E+03 F= 0.62176443E+03 E0= 0.65010285E+03 EK= 0.59790E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332496685835E+03 0.49122E+00 -0.19203E-01 7800 0.263E+01 0.337E-01 RMM: 2 -0.332529728537E+03 -0.33043E-01 -0.12072E-01 5258 0.853E-01 0.187E+00 RMM: 3 -0.332506003047E+03 0.23725E-01 -0.15563E-02 5368 0.296E-01 0.323E-01 RMM: 4 -0.332505249936E+03 0.75311E-03 -0.16955E-03 4737 0.858E-02 0.105E-01 RMM: 5 -0.332505169963E+03 0.79974E-04 -0.20428E-04 3902 0.368E-02 0.941E-02 RMM: 6 -0.332505123760E+03 0.46203E-04 -0.48711E-05 3103 0.208E-02 0.640E-02 RMM: 7 -0.332505131138E+03 -0.73781E-05 -0.60470E-05 3444 0.222E-02 9105 T= 7872. E= 0.68732159E+03 F= 0.62219656E+03 E0= 0.65052363E+03 EK= 0.65125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331962722254E+03 0.54240E+00 -0.20284E-01 8016 0.268E+01 0.289E-01 RMM: 2 -0.331989069184E+03 -0.26347E-01 -0.12798E-01 5191 0.861E-01 0.151E+00 RMM: 3 -0.331973305961E+03 0.15763E-01 -0.14466E-02 5447 0.268E-01 0.306E-01 RMM: 4 -0.331972644356E+03 0.66161E-03 -0.15349E-03 4784 0.852E-02 0.113E-01 RMM: 5 -0.331972576424E+03 0.67932E-04 -0.21213E-04 3890 0.373E-02 0.960E-02 RMM: 6 -0.331972519435E+03 0.56990E-04 -0.46433E-05 3078 0.205E-02 0.519E-02 RMM: 7 -0.331972525688E+03 -0.62529E-05 -0.38684E-05 2828 0.185E-02 9106 T= 7931. E= 0.68829086E+03 F= 0.62268268E+03 E0= 0.65101124E+03 EK= 0.65608E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331419497627E+03 0.55302E+00 -0.19972E-01 7812 0.262E+01 0.214E-01 RMM: 2 -0.331437932246E+03 -0.18435E-01 -0.13264E-01 5170 0.840E-01 0.993E-01 RMM: 3 -0.331430634005E+03 0.72982E-02 -0.12834E-02 5786 0.223E-01 0.173E-01 RMM: 4 -0.331430368948E+03 0.26506E-03 -0.79536E-04 4696 0.646E-02 0.135E-01 RMM: 5 -0.331430257382E+03 0.11157E-03 -0.12919E-04 3848 0.299E-02 0.803E-02 RMM: 6 -0.331430226578E+03 0.30803E-04 -0.37101E-05 2959 0.184E-02 0.541E-02 RMM: 7 -0.331430242011E+03 -0.15433E-04 -0.47672E-05 3088 0.190E-02 9107 T= 7367. E= 0.68412896E+03 F= 0.62318075E+03 E0= 0.65152470E+03 EK= 0.60948E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330986625709E+03 0.44360E+00 -0.18700E-01 8016 0.248E+01 0.225E-01 RMM: 2 -0.331003929056E+03 -0.17303E-01 -0.14192E-01 5090 0.875E-01 0.834E-01 RMM: 3 -0.330998679929E+03 0.52491E-02 -0.14419E-02 5818 0.234E-01 0.169E-01 RMM: 4 -0.330998493538E+03 0.18639E-03 -0.86684E-04 4740 0.682E-02 0.184E-01 RMM: 5 -0.330998276594E+03 0.21694E-03 -0.17016E-04 3905 0.355E-02 0.757E-02 RMM: 6 -0.330998242626E+03 0.33968E-04 -0.36516E-05 2937 0.185E-02 0.415E-02 RMM: 7 -0.330998242363E+03 0.26270E-06 -0.23145E-05 2541 0.145E-02 9108 T= 6511. E= 0.67743415E+03 F= 0.62356953E+03 E0= 0.65193863E+03 EK= 0.53865E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330806200387E+03 0.19204E+00 -0.17015E-01 8064 0.233E+01 0.211E-01 RMM: 2 -0.330821913463E+03 -0.15713E-01 -0.13466E-01 5198 0.855E-01 0.762E-01 RMM: 3 -0.330817691028E+03 0.42224E-02 -0.12960E-02 5940 0.210E-01 0.166E-01 RMM: 4 -0.330817441407E+03 0.24962E-03 -0.76712E-04 4677 0.675E-02 0.182E-01 RMM: 5 -0.330817211128E+03 0.23028E-03 -0.17449E-04 3885 0.352E-02 0.755E-02 RMM: 6 -0.330817185825E+03 0.25303E-04 -0.32460E-05 2851 0.174E-02 0.527E-02 RMM: 7 -0.330817177355E+03 0.84704E-05 -0.38579E-05 2663 0.173E-02 9109 T= 5747. E= 0.67124858E+03 F= 0.62370801E+03 E0= 0.65210854E+03 EK= 0.47541E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330982342568E+03 -0.16516E+00 -0.15399E-01 8184 0.221E+01 0.212E-01 RMM: 2 -0.330996613450E+03 -0.14271E-01 -0.11192E-01 5245 0.768E-01 0.823E-01 RMM: 3 -0.330991707330E+03 0.49061E-02 -0.10761E-02 5776 0.199E-01 0.175E-01 RMM: 4 -0.330991535238E+03 0.17209E-03 -0.77173E-04 4679 0.645E-02 0.175E-01 RMM: 5 -0.330991328370E+03 0.20687E-03 -0.16141E-04 3886 0.330E-02 0.752E-02 RMM: 6 -0.330991297428E+03 0.30942E-04 -0.32119E-05 2886 0.174E-02 0.413E-02 RMM: 7 -0.330991295858E+03 0.15705E-05 -0.20915E-05 2529 0.134E-02 9110 T= 5296. E= 0.66730323E+03 F= 0.62349254E+03 E0= 0.65192706E+03 EK= 0.43811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331557146516E+03 -0.56585E+00 -0.15565E-01 8340 0.216E+01 0.177E-01 RMM: 2 -0.331570901046E+03 -0.13755E-01 -0.11018E-01 5219 0.729E-01 0.755E-01 RMM: 3 -0.331566360340E+03 0.45407E-02 -0.10267E-02 5912 0.188E-01 0.145E-01 RMM: 4 -0.331566156263E+03 0.20408E-03 -0.57892E-04 4633 0.553E-02 0.133E-01 RMM: 5 -0.331566029903E+03 0.12636E-03 -0.10178E-04 3662 0.261E-02 0.620E-02 RMM: 6 -0.331566014331E+03 0.15571E-04 -0.24419E-05 2618 0.150E-02 9111 T= 5232. E= 0.66615825E+03 F= 0.62287887E+03 E0= 0.65134752E+03 EK= 0.43279E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332518596897E+03 -0.95257E+00 -0.16622E-01 8688 0.219E+01 0.202E-01 RMM: 2 -0.332536350995E+03 -0.17754E-01 -0.10445E-01 5327 0.677E-01 0.111E+00 RMM: 3 -0.332526984791E+03 0.93662E-02 -0.92869E-03 5476 0.203E-01 0.186E-01 RMM: 4 -0.332526733540E+03 0.25125E-03 -0.83082E-04 4862 0.574E-02 0.861E-02 RMM: 5 -0.332526683202E+03 0.50338E-04 -0.86471E-05 3758 0.230E-02 0.654E-02 RMM: 6 -0.332526665491E+03 0.17711E-04 -0.21566E-05 2581 0.141E-02 9112 T= 5553. E= 0.66782438E+03 F= 0.62188286E+03 E0= 0.65038423E+03 EK= 0.45942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333787099159E+03 -0.12604E+01 -0.19441E-01 8640 0.229E+01 0.328E-01 RMM: 2 -0.333822633112E+03 -0.35534E-01 -0.13404E-01 5276 0.792E-01 0.188E+00 RMM: 3 -0.333797517108E+03 0.25116E-01 -0.16200E-02 5421 0.290E-01 0.340E-01 RMM: 4 -0.333796618219E+03 0.89889E-03 -0.18206E-03 4790 0.887E-02 0.916E-02 RMM: 5 -0.333796570611E+03 0.47608E-04 -0.22481E-04 4422 0.308E-02 0.877E-02 RMM: 6 -0.333796532140E+03 0.38471E-04 -0.27723E-05 2619 0.166E-02 0.619E-02 RMM: 7 -0.333796548300E+03 -0.16160E-04 -0.43874E-05 3030 0.190E-02 9113 T= 6202. E= 0.67188786E+03 F= 0.62058191E+03 E0= 0.64911238E+03 EK= 0.51306E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335214959912E+03 -0.14184E+01 -0.23781E-01 8772 0.243E+01 0.287E-01 RMM: 2 -0.335244456098E+03 -0.29496E-01 -0.17404E-01 5386 0.866E-01 0.145E+00 RMM: 3 -0.335229164274E+03 0.15292E-01 -0.15679E-02 5459 0.267E-01 0.314E-01 RMM: 4 -0.335228493173E+03 0.67110E-03 -0.18634E-03 4820 0.926E-02 0.141E-01 RMM: 5 -0.335228397849E+03 0.95324E-04 -0.27468E-04 3907 0.410E-02 0.113E-01 RMM: 6 -0.335228314495E+03 0.83354E-04 -0.63753E-05 3464 0.231E-02 0.450E-02 RMM: 7 -0.335228316446E+03 -0.19512E-05 -0.27423E-05 2632 0.155E-02 9114 T= 7005. E= 0.67707471E+03 F= 0.61912338E+03 E0= 0.64767584E+03 EK= 0.57951E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336594223475E+03 -0.13659E+01 -0.29667E-01 8748 0.256E+01 0.265E-01 RMM: 2 -0.336626475060E+03 -0.32252E-01 -0.22777E-01 5402 0.986E-01 0.132E+00 RMM: 3 -0.336613210984E+03 0.13264E-01 -0.18918E-02 5689 0.273E-01 0.248E-01 RMM: 4 -0.336612695668E+03 0.51532E-03 -0.14194E-03 4915 0.775E-02 0.151E-01 RMM: 5 -0.336612517462E+03 0.17821E-03 -0.20395E-04 3896 0.370E-02 0.927E-02 RMM: 6 -0.336612478651E+03 0.38811E-04 -0.50244E-05 3144 0.206E-02 0.737E-02 RMM: 7 -0.336612437163E+03 0.41488E-04 -0.72716E-05 3633 0.228E-02 0.713E-02 RMM: 8 -0.336612399462E+03 0.37701E-04 -0.41419E-05 2758 0.176E-02 0.410E-02 RMM: 9 -0.336612404178E+03 -0.47165E-05 -0.32770E-05 2624 0.150E-02 9115 T= 7641. E= 0.68092408E+03 F= 0.61771629E+03 E0= 0.64628090E+03 EK= 0.63208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337713622579E+03 -0.11012E+01 -0.32997E-01 9012 0.262E+01 0.208E-01 RMM: 2 -0.337739868547E+03 -0.26246E-01 -0.24649E-01 5313 0.101E+00 0.690E-01 RMM: 3 -0.337734898751E+03 0.49698E-02 -0.19841E-02 6116 0.247E-01 0.163E-01 RMM: 4 -0.337734567366E+03 0.33138E-03 -0.10568E-03 4788 0.736E-02 0.196E-01 RMM: 5 -0.337734296018E+03 0.27135E-03 -0.21022E-04 3903 0.375E-02 0.680E-02 RMM: 6 -0.337734275742E+03 0.20276E-04 -0.41736E-05 3024 0.186E-02 0.547E-02 RMM: 7 -0.337734259729E+03 0.16013E-04 -0.28714E-05 2610 0.163E-02 9116 T= 7767. E= 0.68082899E+03 F= 0.61657442E+03 E0= 0.64513763E+03 EK= 0.64255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338438034870E+03 -0.70376E+00 -0.36186E-01 8868 0.259E+01 0.182E-01 RMM: 2 -0.338465712659E+03 -0.27678E-01 -0.25201E-01 5398 0.103E+00 0.749E-01 RMM: 3 -0.338459863978E+03 0.58487E-02 -0.17683E-02 6128 0.248E-01 0.179E-01 RMM: 4 -0.338459398968E+03 0.46501E-03 -0.79551E-04 4917 0.618E-02 0.960E-02 RMM: 5 -0.338459331396E+03 0.67571E-04 -0.10487E-04 3941 0.276E-02 0.763E-02 RMM: 6 -0.338459320970E+03 0.10426E-04 -0.32881E-05 2698 0.171E-02 9117 T= 7306. E= 0.67626774E+03 F= 0.61583152E+03 E0= 0.64438177E+03 EK= 0.60436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338765046726E+03 -0.30572E+00 -0.33159E-01 8868 0.247E+01 0.260E-01 RMM: 2 -0.338798377644E+03 -0.33331E-01 -0.21543E-01 5507 0.952E-01 0.140E+00 RMM: 3 -0.338783112946E+03 0.15265E-01 -0.16195E-02 5500 0.276E-01 0.242E-01 RMM: 4 -0.338782666495E+03 0.44645E-03 -0.14071E-03 4973 0.756E-02 0.997E-02 RMM: 5 -0.338782616955E+03 0.49540E-04 -0.15990E-04 4293 0.298E-02 0.769E-02 RMM: 6 -0.338782586297E+03 0.30658E-04 -0.27301E-05 2689 0.154E-02 0.509E-02 RMM: 7 -0.338782600633E+03 -0.14336E-04 -0.31336E-05 2795 0.171E-02 9118 T= 6515. E= 0.66938535E+03 F= 0.61549207E+03 E0= 0.64402247E+03 EK= 0.53893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338777831426E+03 0.47549E-02 -0.27106E-01 8916 0.233E+01 0.300E-01 RMM: 2 -0.338808993658E+03 -0.31162E-01 -0.17956E-01 5393 0.878E-01 0.151E+00 RMM: 3 -0.338792199361E+03 0.16794E-01 -0.15105E-02 5477 0.269E-01 0.308E-01 RMM: 4 -0.338791492756E+03 0.70661E-03 -0.16891E-03 4826 0.882E-02 0.109E-01 RMM: 5 -0.338791526836E+03 -0.34080E-04 -0.24630E-04 3915 0.372E-02 0.137E-01 RMM: 6 -0.338791404280E+03 0.12256E-03 -0.68254E-05 3443 0.238E-02 0.390E-02 RMM: 7 -0.338791411592E+03 -0.73120E-05 -0.23991E-05 2594 0.145E-02 9119 T= 5748. E= 0.66301825E+03 F= 0.61546873E+03 E0= 0.64397411E+03 EK= 0.47550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338580808912E+03 0.21060E+00 -0.23240E-01 8940 0.221E+01 0.251E-01 RMM: 2 -0.338605294625E+03 -0.24486E-01 -0.15873E-01 5320 0.846E-01 0.123E+00 RMM: 3 -0.338593894362E+03 0.11400E-01 -0.13773E-02 5599 0.246E-01 0.232E-01 RMM: 4 -0.338593477738E+03 0.41662E-03 -0.11935E-03 4777 0.726E-02 0.120E-01 RMM: 5 -0.338593411994E+03 0.65744E-04 -0.17305E-04 3891 0.339E-02 0.896E-02 RMM: 6 -0.338593359332E+03 0.52663E-04 -0.39195E-05 3002 0.189E-02 0.410E-02 RMM: 7 -0.338593359955E+03 -0.62382E-06 -0.18539E-05 2514 0.132E-02 9120 T= 5234. E= 0.65895264E+03 F= 0.61565419E+03 E0= 0.64413582E+03 EK= 0.43298E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338251938309E+03 0.34142E+00 -0.19217E-01 9036 0.215E+01 0.194E-01 RMM: 2 -0.338268334370E+03 -0.16396E-01 -0.11845E-01 5397 0.717E-01 0.904E-01 RMM: 3 -0.338261574484E+03 0.67599E-02 -0.95509E-03 5632 0.201E-01 0.182E-01 RMM: 4 -0.338261295802E+03 0.27868E-03 -0.74391E-04 4854 0.556E-02 0.844E-02 RMM: 5 -0.338261262723E+03 0.33079E-04 -0.95418E-05 3711 0.257E-02 0.727E-02 RMM: 6 -0.338261230081E+03 0.32642E-04 -0.25169E-05 2687 0.154E-02 0.373E-02 RMM: 7 -0.338261231330E+03 -0.12490E-05 -0.16745E-05 2507 0.125E-02 9121 T= 5063. E= 0.65786276E+03 F= 0.61597617E+03 E0= 0.64443548E+03 EK= 0.41887E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337807227320E+03 0.45400E+00 -0.17670E-01 8832 0.215E+01 0.177E-01 RMM: 2 -0.337821565714E+03 -0.14338E-01 -0.10410E-01 5298 0.681E-01 0.852E-01 RMM: 3 -0.337815681132E+03 0.58846E-02 -0.88603E-03 5724 0.189E-01 0.149E-01 RMM: 4 -0.337815489277E+03 0.19185E-03 -0.63603E-04 4624 0.536E-02 0.985E-02 RMM: 5 -0.337815438354E+03 0.50923E-04 -0.89889E-05 3630 0.248E-02 0.655E-02 RMM: 6 -0.337815410924E+03 0.27430E-04 -0.22774E-05 2623 0.148E-02 0.295E-02 RMM: 7 -0.337815412072E+03 -0.11474E-05 -0.11928E-05 2483 0.108E-02 9122 T= 5256. E= 0.65989622E+03 F= 0.61641468E+03 E0= 0.64485569E+03 EK= 0.43482E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337212552316E+03 0.60286E+00 -0.17001E-01 8844 0.223E+01 0.165E-01 RMM: 2 -0.337224007822E+03 -0.11456E-01 -0.90284E-02 5464 0.631E-01 0.718E-01 RMM: 3 -0.337219621580E+03 0.43862E-02 -0.67071E-03 5823 0.166E-01 0.147E-01 RMM: 4 -0.337219449407E+03 0.17217E-03 -0.49552E-04 4392 0.465E-02 0.838E-02 RMM: 5 -0.337219406107E+03 0.43300E-04 -0.68538E-05 3458 0.227E-02 0.656E-02 RMM: 6 -0.337219381301E+03 0.24806E-04 -0.22660E-05 2576 0.148E-02 0.343E-02 RMM: 7 -0.337219379258E+03 0.20428E-05 -0.15822E-05 2489 0.121E-02 9123 T= 5794. E= 0.66493751E+03 F= 0.61700641E+03 E0= 0.64543272E+03 EK= 0.47931E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336377926511E+03 0.84145E+00 -0.18657E-01 8916 0.236E+01 0.169E-01 RMM: 2 -0.336389921801E+03 -0.11995E-01 -0.95450E-02 5429 0.674E-01 0.736E-01 RMM: 3 -0.336385662300E+03 0.42595E-02 -0.74457E-03 5873 0.170E-01 0.152E-01 RMM: 4 -0.336385467165E+03 0.19514E-03 -0.53880E-04 4427 0.513E-02 0.108E-01 RMM: 5 -0.336385384490E+03 0.82675E-04 -0.94525E-05 3691 0.266E-02 0.622E-02 RMM: 6 -0.336385363978E+03 0.20512E-04 -0.20668E-05 2572 0.137E-02 0.412E-02 RMM: 7 -0.336385356623E+03 0.73551E-05 -0.17726E-05 2499 0.128E-02 9124 T= 6583. E= 0.67229674E+03 F= 0.61783903E+03 E0= 0.64625547E+03 EK= 0.54458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335190763771E+03 0.11946E+01 -0.21540E-01 9060 0.251E+01 0.187E-01 RMM: 2 -0.335204799026E+03 -0.14035E-01 -0.11569E-01 5370 0.761E-01 0.772E-01 RMM: 3 -0.335200283192E+03 0.45158E-02 -0.94371E-03 5944 0.187E-01 0.165E-01 RMM: 4 -0.335200023895E+03 0.25930E-03 -0.63012E-04 4638 0.574E-02 0.128E-01 RMM: 5 -0.335199897735E+03 0.12616E-03 -0.12217E-04 3855 0.295E-02 0.665E-02 RMM: 6 -0.335199877347E+03 0.20388E-04 -0.23603E-05 2581 0.146E-02 0.497E-02 RMM: 7 -0.335199860629E+03 0.16718E-04 -0.22925E-05 2517 0.142E-02 9125 T= 7381. E= 0.68008516E+03 F= 0.61902578E+03 E0= 0.64743579E+03 EK= 0.61059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333569958108E+03 0.16299E+01 -0.23261E-01 8988 0.262E+01 0.186E-01 RMM: 2 -0.333584512664E+03 -0.14555E-01 -0.12410E-01 5404 0.794E-01 0.745E-01 RMM: 3 -0.333580170990E+03 0.43417E-02 -0.96553E-03 5959 0.190E-01 0.161E-01 RMM: 4 -0.333579937193E+03 0.23380E-03 -0.62225E-04 4656 0.578E-02 0.141E-01 RMM: 5 -0.333579791396E+03 0.14580E-03 -0.13281E-04 3863 0.311E-02 0.672E-02 RMM: 6 -0.333579770929E+03 0.20466E-04 -0.25917E-05 2667 0.153E-02 0.529E-02 RMM: 7 -0.333579749733E+03 0.21196E-04 -0.30130E-05 2553 0.162E-02 0.506E-02 RMM: 8 -0.333579730143E+03 0.19590E-04 -0.19798E-05 2493 0.122E-02 9126 T= 7819. E= 0.68533518E+03 F= 0.62064965E+03 E0= 0.64905691E+03 EK= 0.64686E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331539827345E+03 0.20399E+01 -0.23789E-01 8652 0.263E+01 0.175E-01 RMM: 2 -0.331554594086E+03 -0.14767E-01 -0.13408E-01 5214 0.812E-01 0.614E-01 RMM: 3 -0.331550887933E+03 0.37062E-02 -0.10960E-02 5670 0.214E-01 0.169E-01 RMM: 4 -0.331550716291E+03 0.17164E-03 -0.76541E-04 4717 0.632E-02 0.145E-01 RMM: 5 -0.331550571078E+03 0.14521E-03 -0.14606E-04 3879 0.331E-02 0.656E-02 RMM: 6 -0.331550546177E+03 0.24901E-04 -0.28388E-05 2694 0.162E-02 0.374E-02 RMM: 7 -0.331550541060E+03 0.51176E-05 -0.22315E-05 2508 0.146E-02 9127 T= 7642. E= 0.68590541E+03 F= 0.62268513E+03 E0= 0.65109102E+03 EK= 0.63220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329260945382E+03 0.22896E+01 -0.22468E-01 8568 0.255E+01 0.174E-01 RMM: 2 -0.329275888625E+03 -0.14943E-01 -0.12661E-01 5228 0.797E-01 0.715E-01 RMM: 3 -0.329271302836E+03 0.45858E-02 -0.11036E-02 5700 0.223E-01 0.137E-01 RMM: 4 -0.329271142757E+03 0.16008E-03 -0.61673E-04 4944 0.525E-02 0.969E-02 RMM: 5 -0.329271074107E+03 0.68650E-04 -0.65706E-05 3390 0.246E-02 0.627E-02 RMM: 6 -0.329271060589E+03 0.13518E-04 -0.25507E-05 2552 0.154E-02 9128 T= 6954. E= 0.68250176E+03 F= 0.62497379E+03 E0= 0.65337938E+03 EK= 0.57528E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326962351583E+03 0.23087E+01 -0.20268E-01 8556 0.242E+01 0.251E-01 RMM: 2 -0.326984293098E+03 -0.21942E-01 -0.13053E-01 5079 0.842E-01 0.124E+00 RMM: 3 -0.326973171743E+03 0.11121E-01 -0.13665E-02 5427 0.264E-01 0.274E-01 RMM: 4 -0.326972625446E+03 0.54630E-03 -0.11854E-03 4774 0.743E-02 0.959E-02 RMM: 5 -0.326972577587E+03 0.47859E-04 -0.14863E-04 3921 0.329E-02 0.828E-02 RMM: 6 -0.326972544328E+03 0.33258E-04 -0.31748E-05 2658 0.173E-02 0.530E-02 RMM: 7 -0.326972551338E+03 -0.70097E-05 -0.25454E-05 2579 0.156E-02 9129 T= 6117. E= 0.67789171E+03 F= 0.62728488E+03 E0= 0.65569048E+03 EK= 0.50607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324856522411E+03 0.21160E+01 -0.17428E-01 8652 0.228E+01 0.277E-01 RMM: 2 -0.324879774863E+03 -0.23252E-01 -0.12365E-01 5119 0.833E-01 0.138E+00 RMM: 3 -0.324866794471E+03 0.12980E-01 -0.14041E-02 5444 0.266E-01 0.301E-01 RMM: 4 -0.324866162281E+03 0.63219E-03 -0.13796E-03 4794 0.806E-02 0.116E-01 RMM: 5 -0.324866102833E+03 0.59448E-04 -0.20033E-04 3904 0.372E-02 0.984E-02 RMM: 6 -0.324866043676E+03 0.59157E-04 -0.50380E-05 3186 0.215E-02 0.471E-02 RMM: 7 -0.324866048994E+03 -0.53183E-05 -0.24402E-05 2563 0.152E-02 9130 T= 5458. E= 0.67456000E+03 F= 0.62940784E+03 E0= 0.65781321E+03 EK= 0.45152E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323078181992E+03 0.17879E+01 -0.15420E-01 8040 0.219E+01 0.216E-01 RMM: 2 -0.323095147960E+03 -0.16966E-01 -0.10604E-01 5179 0.773E-01 0.108E+00 RMM: 3 -0.323086915992E+03 0.82320E-02 -0.10885E-02 5536 0.224E-01 0.188E-01 RMM: 4 -0.323086655949E+03 0.26004E-03 -0.82080E-04 4747 0.601E-02 0.109E-01 RMM: 5 -0.323086573776E+03 0.82173E-04 -0.11488E-04 3857 0.307E-02 0.739E-02 RMM: 6 -0.323086552365E+03 0.21411E-04 -0.28997E-05 2655 0.161E-02 0.576E-02 RMM: 7 -0.323086545508E+03 0.68565E-05 -0.31150E-05 2594 0.172E-02 9131 T= 5143. E= 0.67375082E+03 F= 0.63120782E+03 E0= 0.65961316E+03 EK= 0.42543E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321682196812E+03 0.14044E+01 -0.14249E-01 8100 0.218E+01 0.173E-01 RMM: 2 -0.321694066888E+03 -0.11870E-01 -0.84826E-02 5069 0.688E-01 0.820E-01 RMM: 3 -0.321689416305E+03 0.46506E-02 -0.92098E-03 5694 0.189E-01 0.162E-01 RMM: 4 -0.321689176150E+03 0.24015E-03 -0.57141E-04 4634 0.519E-02 0.829E-02 RMM: 5 -0.321689136370E+03 0.39780E-04 -0.80178E-05 3587 0.248E-02 0.648E-02 RMM: 6 -0.321689117064E+03 0.19306E-04 -0.24253E-05 2580 0.151E-02 9132 T= 5229. E= 0.67588402E+03 F= 0.63262932E+03 E0= 0.66103403E+03 EK= 0.43255E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320651053156E+03 0.10381E+01 -0.15650E-01 7620 0.224E+01 0.189E-01 RMM: 2 -0.320666221567E+03 -0.15168E-01 -0.10009E-01 4946 0.738E-01 0.966E-01 RMM: 3 -0.320659623205E+03 0.65984E-02 -0.11165E-02 5588 0.211E-01 0.188E-01 RMM: 4 -0.320659302316E+03 0.32089E-03 -0.73275E-04 4708 0.582E-02 0.692E-02 RMM: 5 -0.320659274669E+03 0.27647E-04 -0.92609E-05 3838 0.233E-02 0.666E-02 RMM: 6 -0.320659252921E+03 0.21748E-04 -0.22126E-05 2554 0.144E-02 0.415E-02 RMM: 7 -0.320659256228E+03 -0.33072E-05 -0.17849E-05 2494 0.132E-02 9133 T= 5720. E= 0.68100527E+03 F= 0.63368594E+03 E0= 0.66208831E+03 EK= 0.47319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319910690628E+03 0.74856E+00 -0.16967E-01 8184 0.237E+01 0.263E-01 RMM: 2 -0.319926868687E+03 -0.16178E-01 -0.85300E-02 5165 0.721E-01 0.120E+00 RMM: 3 -0.319917307230E+03 0.95615E-02 -0.95799E-03 5459 0.219E-01 0.267E-01 RMM: 4 -0.319916841124E+03 0.46611E-03 -0.11903E-03 4641 0.775E-02 0.124E-01 RMM: 5 -0.319916777498E+03 0.63626E-04 -0.19530E-04 3875 0.363E-02 0.973E-02 RMM: 6 -0.319916715554E+03 0.61944E-04 -0.40928E-05 3063 0.197E-02 0.328E-02 RMM: 7 -0.319916713597E+03 0.19570E-05 -0.15732E-05 2491 0.121E-02 9134 T= 6545. E= 0.68860094E+03 F= 0.63445692E+03 E0= 0.66285319E+03 EK= 0.54144E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319310244199E+03 0.60647E+00 -0.20725E-01 8004 0.253E+01 0.234E-01 RMM: 2 -0.319328948507E+03 -0.18704E-01 -0.14791E-01 5091 0.920E-01 0.952E-01 RMM: 3 -0.319322757106E+03 0.61914E-02 -0.15831E-02 5776 0.247E-01 0.160E-01 RMM: 4 -0.319322555141E+03 0.20197E-03 -0.99888E-04 4771 0.716E-02 0.187E-01 RMM: 5 -0.319322304463E+03 0.25068E-03 -0.18123E-04 3871 0.340E-02 0.813E-02 RMM: 6 -0.319322269782E+03 0.34681E-04 -0.35249E-05 2857 0.173E-02 0.531E-02 RMM: 7 -0.319322244016E+03 0.25766E-04 -0.24413E-05 2530 0.149E-02 0.450E-02 RMM: 8 -0.319322229129E+03 0.14887E-04 -0.21336E-05 2546 0.124E-02 9135 T= 7465. E= 0.69683448E+03 F= 0.63508092E+03 E0= 0.66346519E+03 EK= 0.61754E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318701131220E+03 0.62111E+00 -0.21835E-01 8796 0.266E+01 0.233E-01 RMM: 2 -0.318717630473E+03 -0.16499E-01 -0.13997E-01 5394 0.864E-01 0.827E-01 RMM: 3 -0.318712827651E+03 0.48028E-02 -0.12170E-02 5793 0.211E-01 0.197E-01 RMM: 4 -0.318712654760E+03 0.17289E-03 -0.10016E-03 4647 0.748E-02 0.212E-01 RMM: 5 -0.318712333387E+03 0.32137E-03 -0.23981E-04 3889 0.392E-02 0.800E-02 RMM: 6 -0.318712298294E+03 0.35093E-04 -0.35510E-05 2962 0.177E-02 0.461E-02 RMM: 7 -0.318712281673E+03 0.16621E-04 -0.18207E-05 2521 0.125E-02 9136 T= 8051. E= 0.70232539E+03 F= 0.63572160E+03 E0= 0.66408494E+03 EK= 0.66604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317962517992E+03 0.74978E+00 -0.22997E-01 8952 0.269E+01 0.276E-01 RMM: 2 -0.317985854996E+03 -0.23337E-01 -0.15318E-01 5400 0.903E-01 0.127E+00 RMM: 3 -0.317974889047E+03 0.10966E-01 -0.14227E-02 5700 0.247E-01 0.268E-01 RMM: 4 -0.317974319646E+03 0.56940E-03 -0.12373E-03 4700 0.767E-02 0.136E-01 RMM: 5 -0.317974171180E+03 0.14847E-03 -0.18276E-04 3901 0.345E-02 0.877E-02 RMM: 6 -0.317974141126E+03 0.30054E-04 -0.32870E-05 2717 0.172E-02 0.697E-02 RMM: 7 -0.317974114653E+03 0.26472E-04 -0.45671E-05 2897 0.191E-02 0.714E-02 RMM: 8 -0.317974071022E+03 0.43631E-04 -0.91186E-05 3887 0.226E-02 0.385E-02 RMM: 9 -0.317974080452E+03 -0.94300E-05 -0.34676E-05 2655 0.166E-02 9137 T= 7942. E= 0.70219545E+03 F= 0.63649269E+03 E0= 0.66482833E+03 EK= 0.65703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317108885112E+03 0.86519E+00 -0.22126E-01 8712 0.259E+01 0.227E-01 RMM: 2 -0.317125263133E+03 -0.16378E-01 -0.14242E-01 5258 0.835E-01 0.778E-01 RMM: 3 -0.317120242766E+03 0.50204E-02 -0.12310E-02 5881 0.218E-01 0.149E-01 RMM: 4 -0.317120343284E+03 -0.10052E-03 -0.91415E-04 4711 0.704E-02 0.239E-01 RMM: 5 -0.317119965064E+03 0.37822E-03 -0.21874E-04 3885 0.374E-02 0.827E-02 RMM: 6 -0.317119923855E+03 0.41209E-04 -0.44619E-05 3124 0.199E-02 0.368E-02 RMM: 7 -0.317119933357E+03 -0.95018E-05 -0.22857E-05 2551 0.142E-02 9138 T= 7200. E= 0.69694789E+03 F= 0.63738337E+03 E0= 0.66568516E+03 EK= 0.59565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316263570082E+03 0.85635E+00 -0.20265E-01 8664 0.243E+01 0.175E-01 RMM: 2 -0.316280223751E+03 -0.16654E-01 -0.14071E-01 5199 0.840E-01 0.750E-01 RMM: 3 -0.316275352940E+03 0.48708E-02 -0.12520E-02 6015 0.218E-01 0.166E-01 RMM: 4 -0.316275043190E+03 0.30975E-03 -0.61589E-04 4674 0.569E-02 0.108E-01 RMM: 5 -0.316274962210E+03 0.80980E-04 -0.10001E-04 3729 0.285E-02 0.656E-02 RMM: 6 -0.316274954966E+03 0.72441E-05 -0.28553E-05 2625 0.158E-02 9139 T= 6243. E= 0.68991877E+03 F= 0.63826999E+03 E0= 0.66653915E+03 EK= 0.51649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315577785524E+03 0.69718E+00 -0.18551E-01 8292 0.226E+01 0.210E-01 RMM: 2 -0.315599776036E+03 -0.21991E-01 -0.15290E-01 5105 0.884E-01 0.108E+00 RMM: 3 -0.315590805736E+03 0.89703E-02 -0.14977E-02 5708 0.249E-01 0.211E-01 RMM: 4 -0.315590378767E+03 0.42697E-03 -0.91727E-04 4869 0.648E-02 0.968E-02 RMM: 5 -0.315590324623E+03 0.54144E-04 -0.11923E-04 3941 0.301E-02 0.803E-02 RMM: 6 -0.315590312475E+03 0.12148E-04 -0.36924E-05 2728 0.183E-02 9140 T= 5464. E= 0.68420066E+03 F= 0.63900239E+03 E0= 0.66724231E+03 EK= 0.45198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315169212882E+03 0.42111E+00 -0.16073E-01 8484 0.214E+01 0.383E-01 RMM: 2 -0.315210688390E+03 -0.41476E-01 -0.13568E-01 5135 0.866E-01 0.208E+00 RMM: 3 -0.315179574803E+03 0.31114E-01 -0.19523E-02 5374 0.337E-01 0.401E-01 RMM: 4 -0.315178389316E+03 0.11855E-02 -0.23238E-03 5084 0.985E-02 0.996E-02 RMM: 5 -0.315178341653E+03 0.47663E-04 -0.23974E-04 3978 0.351E-02 0.910E-02 RMM: 6 -0.315178299568E+03 0.42085E-04 -0.45791E-05 3016 0.207E-02 0.586E-02 RMM: 7 -0.315178330902E+03 -0.31334E-04 -0.44245E-05 3090 0.192E-02 0.882E-02 RMM: 8 -0.315178288895E+03 0.42008E-04 -0.40453E-05 2802 0.183E-02 0.387E-02 RMM: 9 -0.315178289964E+03 -0.10699E-05 -0.18465E-05 2518 0.121E-02 9141 T= 5051. E= 0.68125331E+03 F= 0.63946821E+03 E0= 0.66768622E+03 EK= 0.41785E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315082930491E+03 0.95358E-01 -0.15397E-01 8628 0.210E+01 0.314E-01 RMM: 2 -0.315115381529E+03 -0.32451E-01 -0.11822E-01 5097 0.755E-01 0.178E+00 RMM: 3 -0.315092084536E+03 0.23297E-01 -0.14571E-02 5382 0.285E-01 0.285E-01 RMM: 4 -0.315091595095E+03 0.48944E-03 -0.18211E-03 4901 0.890E-02 0.148E-01 RMM: 5 -0.315091579822E+03 0.15273E-04 -0.26971E-04 3899 0.416E-02 0.149E-01 RMM: 6 -0.315091430252E+03 0.14957E-03 -0.96788E-05 3715 0.286E-02 0.368E-02 RMM: 7 -0.315091441772E+03 -0.11520E-04 -0.31650E-05 2859 0.168E-02 9142 T= 5059. E= 0.68146346E+03 F= 0.63961357E+03 E0= 0.66781990E+03 EK= 0.41850E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315317615245E+03 -0.22618E+00 -0.15680E-01 8688 0.214E+01 0.198E-01 RMM: 2 -0.315333845732E+03 -0.16230E-01 -0.10503E-01 5364 0.684E-01 0.996E-01 RMM: 3 -0.315325984242E+03 0.78615E-02 -0.87950E-03 5494 0.199E-01 0.203E-01 RMM: 4 -0.315325694988E+03 0.28925E-03 -0.81202E-04 4790 0.591E-02 0.817E-02 RMM: 5 -0.315325665878E+03 0.29110E-04 -0.11121E-04 3844 0.256E-02 0.836E-02 RMM: 6 -0.315325625916E+03 0.39962E-04 -0.32181E-05 2892 0.169E-02 0.457E-02 RMM: 7 -0.315325648336E+03 -0.22421E-04 -0.44392E-05 3106 0.189E-02 0.765E-02 RMM: 8 -0.315325610117E+03 0.38219E-04 -0.38935E-05 2880 0.176E-02 0.247E-02 RMM: 9 -0.315325608880E+03 0.12368E-05 -0.11291E-05 2460 0.942E-03 9143 T= 5488. E= 0.68483991E+03 F= 0.63944051E+03 E0= 0.66764760E+03 EK= 0.45399E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.315815315138E+03 -0.48971E+00 -0.17732E-01 8892 0.227E+01 0.196E-01 RMM: 2 -0.315830062494E+03 -0.14747E-01 -0.12201E-01 5258 0.744E-01 0.754E-01 RMM: 3 -0.315825144575E+03 0.49179E-02 -0.10189E-02 5924 0.195E-01 0.124E-01 RMM: 4 -0.315825125163E+03 0.19412E-04 -0.69809E-04 4696 0.605E-02 0.187E-01 RMM: 5 -0.315824890900E+03 0.23426E-03 -0.14859E-04 3846 0.309E-02 0.645E-02 RMM: 6 -0.315824865727E+03 0.25173E-04 -0.26907E-05 2725 0.159E-02 0.319E-02 RMM: 7 -0.315824864865E+03 0.86116E-06 -0.13852E-05 2482 0.112E-02 9144 T= 6285. E= 0.69099424E+03 F= 0.63900284E+03 E0= 0.66722509E+03 EK= 0.51991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.316464779445E+03 -0.63991E+00 -0.21581E-01 9012 0.243E+01 0.197E-01 RMM: 2 -0.316482443314E+03 -0.17664E-01 -0.16913E-01 5267 0.889E-01 0.576E-01 RMM: 3 -0.316479065649E+03 0.33777E-02 -0.14782E-02 6123 0.223E-01 0.138E-01 RMM: 4 -0.316478872795E+03 0.19285E-03 -0.76994E-04 4727 0.629E-02 0.190E-01 RMM: 5 -0.316478615562E+03 0.25723E-03 -0.16940E-04 3890 0.338E-02 0.617E-02 RMM: 6 -0.316478599917E+03 0.15644E-04 -0.30361E-05 2732 0.162E-02 9145 T= 7253. E= 0.69841183E+03 F= 0.63841002E+03 E0= 0.66666396E+03 EK= 0.60002E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317123258959E+03 -0.64464E+00 -0.27053E-01 9024 0.258E+01 0.237E-01 RMM: 2 -0.317148642253E+03 -0.25383E-01 -0.21347E-01 5353 0.990E-01 0.946E-01 RMM: 3 -0.317141134327E+03 0.75079E-02 -0.17902E-02 5977 0.253E-01 0.182E-01 RMM: 4 -0.317140905763E+03 0.22856E-03 -0.12058E-03 4787 0.789E-02 0.207E-01 RMM: 5 -0.317140595303E+03 0.31046E-03 -0.24638E-04 3898 0.383E-02 0.747E-02 RMM: 6 -0.317140574361E+03 0.20942E-04 -0.40061E-05 3020 0.178E-02 0.611E-02 RMM: 7 -0.317140559384E+03 0.14977E-04 -0.42726E-05 2699 0.190E-02 9146 T= 7989. E= 0.70389646E+03 F= 0.63780861E+03 E0= 0.66611216E+03 EK= 0.66088E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.317675327728E+03 -0.53475E+00 -0.30689E-01 8988 0.263E+01 0.272E-01 RMM: 2 -0.317705134891E+03 -0.29807E-01 -0.25814E-01 5195 0.109E+00 0.980E-01 RMM: 3 -0.317696930439E+03 0.82045E-02 -0.22369E-02 5977 0.285E-01 0.234E-01 RMM: 4 -0.317696511532E+03 0.41891E-03 -0.15283E-03 4956 0.893E-02 0.217E-01 RMM: 5 -0.317696201604E+03 0.30993E-03 -0.30455E-04 3928 0.425E-02 0.106E-01 RMM: 6 -0.317696132923E+03 0.68682E-04 -0.69340E-05 3440 0.235E-02 0.428E-02 RMM: 7 -0.317696129081E+03 0.38420E-05 -0.25639E-05 2551 0.150E-02 9147 T= 8070. E= 0.70407227E+03 F= 0.63731505E+03 E0= 0.66568166E+03 EK= 0.66757E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318122019882E+03 -0.42589E+00 -0.31288E-01 8964 0.258E+01 0.205E-01 RMM: 2 -0.318148135979E+03 -0.26116E-01 -0.22876E-01 5817 0.980E-01 0.837E-01 RMM: 3 -0.318140961149E+03 0.71748E-02 -0.12723E-02 5780 0.228E-01 0.159E-01 RMM: 4 -0.318140836138E+03 0.12501E-03 -0.93423E-04 4813 0.665E-02 0.163E-01 RMM: 5 -0.318140643945E+03 0.19219E-03 -0.16120E-04 3920 0.298E-02 0.751E-02 RMM: 6 -0.318140622278E+03 0.21667E-04 -0.42416E-05 3078 0.188E-02 0.590E-02 RMM: 7 -0.318140639824E+03 -0.17546E-04 -0.65965E-05 3589 0.213E-02 9148 T= 7448. E= 0.69855518E+03 F= 0.63693670E+03 E0= 0.66537447E+03 EK= 0.61618E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.318566108046E+03 -0.42549E+00 -0.30028E-01 9012 0.243E+01 0.232E-01 RMM: 2 -0.318593159489E+03 -0.27051E-01 -0.23281E-01 5401 0.103E+00 0.908E-01 RMM: 3 -0.318585620443E+03 0.75390E-02 -0.16985E-02 6039 0.254E-01 0.175E-01 RMM: 4 -0.318585329315E+03 0.29113E-03 -0.10131E-03 4804 0.716E-02 0.170E-01 RMM: 5 -0.318585139890E+03 0.18943E-03 -0.18885E-04 3895 0.366E-02 0.747E-02 RMM: 6 -0.318585125023E+03 0.14866E-04 -0.59675E-05 3308 0.220E-02 9149 T= 6505. E= 0.69037537E+03 F= 0.63656530E+03 E0= 0.66507600E+03 EK= 0.53810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.319165164969E+03 -0.58003E+00 -0.24747E-01 8988 0.227E+01 0.241E-01 RMM: 2 -0.319194212137E+03 -0.29047E-01 -0.19218E-01 5505 0.915E-01 0.128E+00 RMM: 3 -0.319180984936E+03 0.13227E-01 -0.14775E-02 5494 0.258E-01 0.212E-01 RMM: 4 -0.319180674886E+03 0.31005E-03 -0.13178E-03 5067 0.707E-02 0.128E-01 RMM: 5 -0.319180541339E+03 0.13355E-03 -0.15411E-04 3942 0.324E-02 0.820E-02 RMM: 6 -0.319180534237E+03 0.71020E-05 -0.55482E-05 3248 0.208E-02 9150 T= 5670. E= 0.68295532E+03 F= 0.63605170E+03 E0= 0.66463304E+03 EK= 0.46904E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320035839622E+03 -0.85530E+00 -0.19594E-01 9000 0.215E+01 0.463E-01 RMM: 2 -0.320090072655E+03 -0.54233E-01 -0.16134E-01 5316 0.909E-01 0.247E+00 RMM: 3 -0.320047486143E+03 0.42587E-01 -0.23913E-02 5366 0.377E-01 0.477E-01 RMM: 4 -0.320045775766E+03 0.17104E-02 -0.29459E-03 5110 0.111E-01 0.103E-01 RMM: 5 -0.320045752456E+03 0.23310E-04 -0.32233E-04 4004 0.388E-02 0.124E-01 RMM: 6 -0.320045663325E+03 0.89131E-04 -0.80896E-05 3724 0.249E-02 0.628E-02 RMM: 7 -0.320045716568E+03 -0.53243E-04 -0.82861E-05 3675 0.242E-02 0.112E-01 RMM: 8 -0.320045648349E+03 0.68219E-04 -0.59518E-05 3367 0.216E-02 0.529E-02 RMM: 9 -0.320045634262E+03 0.14087E-04 -0.21363E-05 2583 0.137E-02 9151 T= 5177. E= 0.67810376E+03 F= 0.63527729E+03 E0= 0.66392307E+03 EK= 0.42826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321232615251E+03 -0.11870E+01 -0.17224E-01 9024 0.210E+01 0.345E-01 RMM: 2 -0.321269774039E+03 -0.37159E-01 -0.12862E-01 5174 0.769E-01 0.195E+00 RMM: 3 -0.321242664053E+03 0.27110E-01 -0.16765E-02 5370 0.306E-01 0.384E-01 RMM: 4 -0.321241665205E+03 0.99885E-03 -0.22913E-03 4955 0.991E-02 0.137E-01 RMM: 5 -0.321241637487E+03 0.27718E-04 -0.30297E-04 3899 0.432E-02 0.143E-01 RMM: 6 -0.321241491070E+03 0.14642E-03 -0.89290E-05 3719 0.266E-02 0.423E-02 RMM: 7 -0.321241513908E+03 -0.22838E-04 -0.48339E-05 3150 0.197E-02 0.766E-02 RMM: 8 -0.321241473691E+03 0.40216E-04 -0.31272E-05 2729 0.175E-02 0.270E-02 RMM: 9 -0.321241470554E+03 0.31371E-05 -0.10402E-05 2465 0.919E-03 9152 T= 5094. E= 0.67631634E+03 F= 0.63417915E+03 E0= 0.66288761E+03 EK= 0.42137E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322762001416E+03 -0.15205E+01 -0.16039E-01 8448 0.214E+01 0.237E-01 RMM: 2 -0.322780099068E+03 -0.18098E-01 -0.10970E-01 5136 0.727E-01 0.112E+00 RMM: 3 -0.322770788119E+03 0.93109E-02 -0.11199E-02 5566 0.220E-01 0.228E-01 RMM: 4 -0.322770405953E+03 0.38217E-03 -0.10530E-03 4719 0.694E-02 0.112E-01 RMM: 5 -0.322770346907E+03 0.59046E-04 -0.15522E-04 3978 0.277E-02 0.102E-01 RMM: 6 -0.322770284209E+03 0.62699E-04 -0.43535E-05 3115 0.195E-02 0.460E-02 RMM: 7 -0.322770312647E+03 -0.28439E-04 -0.55872E-05 3336 0.203E-02 0.865E-02 RMM: 8 -0.322770262578E+03 0.50069E-04 -0.39141E-05 2957 0.184E-02 0.270E-02 RMM: 9 -0.322770260732E+03 0.18464E-05 -0.11777E-05 2471 0.970E-03 9153 T= 5417. E= 0.67756319E+03 F= 0.63275185E+03 E0= 0.66152043E+03 EK= 0.44811E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324567398784E+03 -0.17971E+01 -0.16341E-01 8256 0.225E+01 0.238E-01 RMM: 2 -0.324581999747E+03 -0.14601E-01 -0.10171E-01 5203 0.715E-01 0.969E-01 RMM: 3 -0.324575422873E+03 0.65769E-02 -0.10411E-02 5734 0.202E-01 0.196E-01 RMM: 4 -0.324575251395E+03 0.17148E-03 -0.94472E-04 4675 0.691E-02 0.185E-01 RMM: 5 -0.324575039038E+03 0.21236E-03 -0.18322E-04 3884 0.329E-02 0.930E-02 RMM: 6 -0.324574983915E+03 0.55124E-04 -0.46127E-05 3162 0.205E-02 0.400E-02 RMM: 7 -0.324574991063E+03 -0.71480E-05 -0.26091E-05 2570 0.148E-02 9154 T= 6094. E= 0.68146357E+03 F= 0.63104913E+03 E0= 0.65987595E+03 EK= 0.50414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326516835211E+03 -0.19419E+01 -0.17945E-01 8160 0.240E+01 0.243E-01 RMM: 2 -0.326529446270E+03 -0.12611E-01 -0.10959E-01 5219 0.776E-01 0.748E-01 RMM: 3 -0.326525662152E+03 0.37841E-02 -0.11630E-02 5823 0.206E-01 0.151E-01 RMM: 4 -0.326525693529E+03 -0.31377E-04 -0.86939E-04 4672 0.657E-02 0.249E-01 RMM: 5 -0.326525268804E+03 0.42472E-03 -0.22637E-04 3893 0.389E-02 0.616E-02 RMM: 6 -0.326525251770E+03 0.17035E-04 -0.36710E-05 2994 0.175E-02 9155 T= 6962. E= 0.68679393E+03 F= 0.62919938E+03 E0= 0.65808128E+03 EK= 0.57595E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328415724825E+03 -0.18905E+01 -0.19457E-01 8304 0.255E+01 0.324E-01 RMM: 2 -0.328441695773E+03 -0.25971E-01 -0.11858E-01 5288 0.824E-01 0.159E+00 RMM: 3 -0.328424649144E+03 0.17047E-01 -0.13274E-02 5440 0.257E-01 0.265E-01 RMM: 4 -0.328424433994E+03 0.21515E-03 -0.16975E-03 4745 0.918E-02 0.230E-01 RMM: 5 -0.328424084505E+03 0.34949E-03 -0.32123E-04 3896 0.447E-02 0.112E-01 RMM: 6 -0.328424007857E+03 0.76648E-04 -0.73259E-05 3528 0.241E-02 0.553E-02 RMM: 7 -0.328424011781E+03 -0.39235E-05 -0.45870E-05 3099 0.195E-02 9156 T= 7686. E= 0.69098644E+03 F= 0.62739973E+03 E0= 0.65633099E+03 EK= 0.63587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330053855341E+03 -0.16298E+01 -0.20517E-01 7812 0.262E+01 0.286E-01 RMM: 2 -0.330070357166E+03 -0.16502E-01 -0.11824E-01 5182 0.835E-01 0.104E+00 RMM: 3 -0.330063109096E+03 0.72481E-02 -0.12527E-02 5581 0.233E-01 0.256E-01 RMM: 4 -0.330063009155E+03 0.99941E-04 -0.14755E-03 4771 0.890E-02 0.255E-01 RMM: 5 -0.330062591935E+03 0.41722E-03 -0.32894E-04 3907 0.457E-02 0.104E-01 RMM: 6 -0.330062523710E+03 0.68225E-04 -0.57612E-05 3317 0.217E-02 0.352E-02 RMM: 7 -0.330062523023E+03 0.68756E-06 -0.20343E-05 2512 0.134E-02 9157 T= 7883. E= 0.69107325E+03 F= 0.62586122E+03 E0= 0.65483190E+03 EK= 0.65212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331301650214E+03 -0.12391E+01 -0.20566E-01 7896 0.259E+01 0.226E-01 RMM: 2 -0.331315971592E+03 -0.14321E-01 -0.10508E-01 4964 0.773E-01 0.915E-01 RMM: 3 -0.331310223579E+03 0.57480E-02 -0.11404E-02 5739 0.215E-01 0.177E-01 RMM: 4 -0.331310143593E+03 0.79987E-04 -0.89007E-04 4714 0.703E-02 0.198E-01 RMM: 5 -0.331309894089E+03 0.24950E-03 -0.19317E-04 3885 0.348E-02 0.979E-02 RMM: 6 -0.331309837172E+03 0.56917E-04 -0.66580E-05 3401 0.236E-02 0.481E-02 RMM: 7 -0.331309865695E+03 -0.28524E-04 -0.67167E-05 3627 0.217E-02 0.905E-02 RMM: 8 -0.331309810162E+03 0.55533E-04 -0.39583E-05 2838 0.177E-02 0.239E-02 RMM: 9 -0.331309812815E+03 -0.26536E-05 -0.15209E-05 2477 0.118E-02 9158 T= 7433. E= 0.68620690E+03 F= 0.62471850E+03 E0= 0.65371659E+03 EK= 0.61488E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332162521374E+03 -0.85271E+00 -0.19075E-01 7584 0.248E+01 0.174E-01 RMM: 2 -0.332172805287E+03 -0.10284E-01 -0.96554E-02 4738 0.736E-01 0.536E-01 RMM: 3 -0.332170579372E+03 0.22259E-02 -0.10782E-02 5852 0.202E-01 0.125E-01 RMM: 4 -0.332170608078E+03 -0.28707E-04 -0.63794E-04 4647 0.634E-02 0.199E-01 RMM: 5 -0.332170350599E+03 0.25748E-03 -0.17594E-04 3896 0.379E-02 0.630E-02 RMM: 6 -0.332170342047E+03 0.85526E-05 -0.52335E-05 3214 0.211E-02 9159 T= 6603. E= 0.67859335E+03 F= 0.62397087E+03 E0= 0.65298397E+03 EK= 0.54622E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332739549674E+03 -0.56920E+00 -0.16998E-01 7572 0.233E+01 0.235E-01 RMM: 2 -0.332758523871E+03 -0.18974E-01 -0.98206E-02 4798 0.756E-01 0.124E+00 RMM: 3 -0.332747700020E+03 0.10824E-01 -0.12380E-02 5435 0.246E-01 0.215E-01 RMM: 4 -0.332747401109E+03 0.29891E-03 -0.10233E-03 4727 0.672E-02 0.107E-01 RMM: 5 -0.332747362872E+03 0.38236E-04 -0.20902E-04 3978 0.424E-02 0.106E-01 RMM: 6 -0.332747322300E+03 0.40573E-04 -0.10841E-04 3825 0.286E-02 0.785E-02 RMM: 7 -0.332747377136E+03 -0.54837E-04 -0.90723E-05 3724 0.266E-02 0.118E-01 RMM: 8 -0.332747291756E+03 0.85381E-04 -0.49773E-05 3258 0.218E-02 0.330E-02 RMM: 9 -0.332747293094E+03 -0.13383E-05 -0.13012E-05 2498 0.106E-02 9160 T= 5782. E= 0.67135229E+03 F= 0.62351765E+03 E0= 0.65253566E+03 EK= 0.47835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333157932568E+03 -0.41064E+00 -0.14753E-01 7536 0.220E+01 0.225E-01 RMM: 2 -0.333175468363E+03 -0.17536E-01 -0.91551E-02 4702 0.733E-01 0.120E+00 RMM: 3 -0.333165389981E+03 0.10078E-01 -0.11269E-02 5443 0.236E-01 0.212E-01 RMM: 4 -0.333165105018E+03 0.28496E-03 -0.10516E-03 4730 0.704E-02 0.109E-01 RMM: 5 -0.333165071814E+03 0.33204E-04 -0.20378E-04 3892 0.398E-02 0.106E-01 RMM: 6 -0.333165011620E+03 0.60195E-04 -0.81406E-05 3615 0.257E-02 0.529E-02 RMM: 7 -0.333165043939E+03 -0.32319E-04 -0.48472E-05 3194 0.206E-02 0.874E-02 RMM: 8 -0.333164996403E+03 0.47536E-04 -0.28994E-05 2848 0.179E-02 0.214E-02 RMM: 9 -0.333164995797E+03 0.60592E-06 -0.66889E-06 2447 0.743E-03 9161 T= 5225. E= 0.66645683E+03 F= 0.62323460E+03 E0= 0.65224984E+03 EK= 0.43222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333505676954E+03 -0.34068E+00 -0.13389E-01 7764 0.213E+01 0.193E-01 RMM: 2 -0.333518312212E+03 -0.12635E-01 -0.85977E-02 4725 0.698E-01 0.878E-01 RMM: 3 -0.333512982338E+03 0.53299E-02 -0.10701E-02 5696 0.202E-01 0.160E-01 RMM: 4 -0.333512762711E+03 0.21963E-03 -0.70233E-04 4656 0.598E-02 0.116E-01 RMM: 5 -0.333512693986E+03 0.68725E-04 -0.19776E-04 3907 0.408E-02 0.904E-02 RMM: 6 -0.333512675385E+03 0.18601E-04 -0.80829E-05 3575 0.248E-02 9162 T= 5027. E= 0.66461655E+03 F= 0.62302979E+03 E0= 0.65203719E+03 EK= 0.41587E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333818847143E+03 -0.30615E+00 -0.13863E-01 7632 0.214E+01 0.300E-01 RMM: 2 -0.333840224854E+03 -0.21378E-01 -0.86225E-02 4724 0.692E-01 0.147E+00 RMM: 3 -0.333825414854E+03 0.14810E-01 -0.12682E-02 5367 0.261E-01 0.260E-01 RMM: 4 -0.333825059404E+03 0.35545E-03 -0.14174E-03 4751 0.751E-02 0.139E-01 RMM: 5 -0.333825074891E+03 -0.15487E-04 -0.27822E-04 3923 0.427E-02 0.161E-01 RMM: 6 -0.333824918488E+03 0.15640E-03 -0.13969E-04 3875 0.331E-02 0.602E-02 RMM: 7 -0.333824954513E+03 -0.36025E-04 -0.60769E-05 3375 0.221E-02 0.929E-02 RMM: 8 -0.333824908739E+03 0.45774E-04 -0.34033E-05 2960 0.192E-02 0.375E-02 RMM: 9 -0.333824903298E+03 0.54410E-05 -0.11079E-05 2484 0.102E-02 9163 T= 5209. E= 0.66595284E+03 F= 0.62286390E+03 E0= 0.65186041E+03 EK= 0.43089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334078429880E+03 -0.25352E+00 -0.14207E-01 8124 0.221E+01 0.284E-01 RMM: 2 -0.334096896300E+03 -0.18466E-01 -0.69425E-02 4793 0.624E-01 0.140E+00 RMM: 3 -0.334083525049E+03 0.13371E-01 -0.10585E-02 5369 0.244E-01 0.285E-01 RMM: 4 -0.334083078877E+03 0.44617E-03 -0.13731E-03 4676 0.799E-02 0.148E-01 RMM: 5 -0.334083061777E+03 0.17100E-04 -0.23226E-04 3884 0.393E-02 0.146E-01 RMM: 6 -0.334082916089E+03 0.14569E-03 -0.72193E-05 3477 0.251E-02 0.299E-02 RMM: 7 -0.334082913927E+03 0.21618E-05 -0.16820E-05 2519 0.121E-02 9164 T= 5752. E= 0.67033244E+03 F= 0.62275060E+03 E0= 0.65173278E+03 EK= 0.47582E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334213545337E+03 -0.13063E+00 -0.15809E-01 8160 0.234E+01 0.245E-01 RMM: 2 -0.334225873353E+03 -0.12328E-01 -0.81123E-02 4949 0.669E-01 0.947E-01 RMM: 3 -0.334219799364E+03 0.60740E-02 -0.94634E-03 5526 0.202E-01 0.174E-01 RMM: 4 -0.334219927422E+03 -0.12806E-03 -0.10216E-03 4638 0.734E-02 0.250E-01 RMM: 5 -0.334219522362E+03 0.40506E-03 -0.24682E-04 3899 0.405E-02 0.914E-02 RMM: 6 -0.334219470867E+03 0.51495E-04 -0.53352E-05 3261 0.210E-02 0.430E-02 RMM: 7 -0.334219489346E+03 -0.18479E-04 -0.35879E-05 2833 0.172E-02 9165 T= 6565. E= 0.67706629E+03 F= 0.62275347E+03 E0= 0.65171875E+03 EK= 0.54313E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334129169367E+03 0.90301E-01 -0.18589E-01 7968 0.249E+01 0.242E-01 RMM: 2 -0.334141748029E+03 -0.12579E-01 -0.11511E-01 4893 0.807E-01 0.687E-01 RMM: 3 -0.334138616133E+03 0.31319E-02 -0.13481E-02 5854 0.215E-01 0.183E-01 RMM: 4 -0.334138717682E+03 -0.10155E-03 -0.98109E-04 4756 0.743E-02 0.286E-01 RMM: 5 -0.334138163983E+03 0.55370E-03 -0.27896E-04 3927 0.436E-02 0.709E-02 RMM: 6 -0.334138133074E+03 0.30909E-04 -0.42409E-05 3081 0.188E-02 0.325E-02 RMM: 7 -0.334138131748E+03 0.13258E-05 -0.19183E-05 2521 0.131E-02 9166 T= 7406. E= 0.68423729E+03 F= 0.62296817E+03 E0= 0.65191439E+03 EK= 0.61269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333750805999E+03 0.38733E+00 -0.21525E-01 8124 0.259E+01 0.239E-01 RMM: 2 -0.333765776796E+03 -0.14971E-01 -0.13280E-01 4975 0.851E-01 0.731E-01 RMM: 3 -0.333761888233E+03 0.38886E-02 -0.14511E-02 5857 0.219E-01 0.186E-01 RMM: 4 -0.333761796041E+03 0.92192E-04 -0.10513E-03 4827 0.785E-02 0.255E-01 RMM: 5 -0.333761364104E+03 0.43194E-03 -0.27880E-04 3930 0.432E-02 0.890E-02 RMM: 6 -0.333761316494E+03 0.47610E-04 -0.55382E-05 3299 0.210E-02 0.458E-02 RMM: 7 -0.333761324625E+03 -0.81312E-05 -0.48821E-05 3033 0.187E-02 9167 T= 7890. E= 0.68874945E+03 F= 0.62347439E+03 E0= 0.65240108E+03 EK= 0.65275E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333085735084E+03 0.67558E+00 -0.21349E-01 7836 0.261E+01 0.225E-01 RMM: 2 -0.333098635948E+03 -0.12901E-01 -0.11374E-01 4999 0.773E-01 0.719E-01 RMM: 3 -0.333094849226E+03 0.37867E-02 -0.11948E-02 5873 0.205E-01 0.172E-01 RMM: 4 -0.333094865444E+03 -0.16218E-04 -0.89682E-04 4729 0.714E-02 0.241E-01 RMM: 5 -0.333094487574E+03 0.37787E-03 -0.20906E-04 3886 0.365E-02 0.808E-02 RMM: 6 -0.333094449345E+03 0.38230E-04 -0.44277E-05 3131 0.197E-02 0.348E-02 RMM: 7 -0.333094464549E+03 -0.15204E-04 -0.26294E-05 2577 0.150E-02 9168 T= 7739. E= 0.68829304E+03 F= 0.62427101E+03 E0= 0.65317930E+03 EK= 0.64022E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332245489137E+03 0.84896E+00 -0.20047E-01 8040 0.252E+01 0.180E-01 RMM: 2 -0.332256641831E+03 -0.11153E-01 -0.97401E-02 5071 0.716E-01 0.643E-01 RMM: 3 -0.332253419634E+03 0.32222E-02 -0.95053E-03 5976 0.184E-01 0.138E-01 RMM: 4 -0.332253281204E+03 0.13843E-03 -0.53245E-04 4593 0.558E-02 0.152E-01 RMM: 5 -0.332253129019E+03 0.15219E-03 -0.14179E-04 3879 0.324E-02 0.790E-02 RMM: 6 -0.332253124925E+03 0.40941E-05 -0.80014E-05 3550 0.248E-02 9169 T= 7048. E= 0.68355532E+03 F= 0.62524740E+03 E0= 0.65413915E+03 EK= 0.58308E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331404856763E+03 0.84827E+00 -0.18052E-01 7920 0.238E+01 0.252E-01 RMM: 2 -0.331426689476E+03 -0.21833E-01 -0.10191E-01 5149 0.744E-01 0.141E+00 RMM: 3 -0.331412937721E+03 0.13752E-01 -0.11420E-02 5416 0.238E-01 0.221E-01 RMM: 4 -0.331412630405E+03 0.30732E-03 -0.10524E-03 4803 0.652E-02 0.116E-01 RMM: 5 -0.331412534269E+03 0.96136E-04 -0.22331E-04 3945 0.444E-02 0.905E-02 RMM: 6 -0.331412571279E+03 -0.37010E-04 -0.13506E-04 3877 0.313E-02 0.121E-01 RMM: 7 -0.331412568976E+03 0.23027E-05 -0.89622E-05 3783 0.273E-02 9170 T= 6192. E= 0.67745762E+03 F= 0.62623218E+03 E0= 0.65511131E+03 EK= 0.51225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330723698839E+03 0.68887E+00 -0.15498E-01 7932 0.224E+01 0.280E-01 RMM: 2 -0.330746335343E+03 -0.22637E-01 -0.88299E-02 5232 0.723E-01 0.154E+00 RMM: 3 -0.330730349341E+03 0.15986E-01 -0.10519E-02 5391 0.241E-01 0.303E-01 RMM: 4 -0.330729693063E+03 0.65628E-03 -0.11958E-03 4680 0.752E-02 0.106E-01 RMM: 5 -0.330729630201E+03 0.62861E-04 -0.25237E-04 3953 0.456E-02 0.108E-01 RMM: 6 -0.330729609907E+03 0.20295E-04 -0.11553E-04 3870 0.297E-02 0.989E-02 RMM: 7 -0.330729643695E+03 -0.33788E-04 -0.96123E-05 3772 0.263E-02 0.121E-01 RMM: 8 -0.330729551371E+03 0.92324E-04 -0.52652E-05 3296 0.222E-02 0.305E-02 RMM: 9 -0.330729556028E+03 -0.46569E-05 -0.13975E-05 2497 0.107E-02 9171 T= 5508. E= 0.67263682E+03 F= 0.62706997E+03 E0= 0.65593906E+03 EK= 0.45567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330294628293E+03 0.43492E+00 -0.14580E-01 8184 0.214E+01 0.168E-01 RMM: 2 -0.330306447018E+03 -0.11819E-01 -0.85717E-02 5062 0.675E-01 0.799E-01 RMM: 3 -0.330301774626E+03 0.46724E-02 -0.87385E-03 5689 0.179E-01 0.150E-01 RMM: 4 -0.330301552445E+03 0.22218E-03 -0.54358E-04 4460 0.532E-02 0.105E-01 RMM: 5 -0.330301478832E+03 0.73614E-04 -0.15740E-04 3874 0.372E-02 0.763E-02 RMM: 6 -0.330301488950E+03 -0.10118E-04 -0.87885E-05 3673 0.257E-02 9172 T= 5164. E= 0.67038320E+03 F= 0.62766156E+03 E0= 0.65652361E+03 EK= 0.42722E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330159496543E+03 0.14198E+00 -0.13662E-01 8352 0.212E+01 0.336E-01 RMM: 2 -0.330183719425E+03 -0.24223E-01 -0.68002E-02 5161 0.622E-01 0.172E+00 RMM: 3 -0.330163730295E+03 0.19989E-01 -0.11428E-02 5360 0.261E-01 0.269E-01 RMM: 4 -0.330163351860E+03 0.37844E-03 -0.13658E-03 4671 0.778E-02 0.165E-01 RMM: 5 -0.330163382443E+03 -0.30583E-04 -0.39336E-04 4351 0.524E-02 0.197E-01 RMM: 6 -0.330163144570E+03 0.23787E-03 -0.19217E-04 3892 0.378E-02 0.673E-02 RMM: 7 -0.330163202307E+03 -0.57736E-04 -0.85979E-05 3619 0.256E-02 0.115E-01 RMM: 8 -0.330163127463E+03 0.74843E-04 -0.46200E-05 3245 0.215E-02 0.441E-02 RMM: 9 -0.330163119073E+03 0.83903E-05 -0.12436E-05 2502 0.106E-02 9173 T= 5211. E= 0.67107913E+03 F= 0.62796771E+03 E0= 0.65682253E+03 EK= 0.43111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330294783464E+03 -0.13166E+00 -0.14797E-01 8328 0.218E+01 0.277E-01 RMM: 2 -0.330317657910E+03 -0.22874E-01 -0.80360E-02 4947 0.640E-01 0.154E+00 RMM: 3 -0.330300717894E+03 0.16940E-01 -0.11056E-02 5388 0.246E-01 0.261E-01 RMM: 4 -0.330300329399E+03 0.38850E-03 -0.13362E-03 4700 0.773E-02 0.137E-01 RMM: 5 -0.330300370587E+03 -0.41188E-04 -0.24741E-04 3901 0.406E-02 0.161E-01 RMM: 6 -0.330300192064E+03 0.17852E-03 -0.96213E-05 3706 0.280E-02 0.373E-02 RMM: 7 -0.330300205548E+03 -0.13484E-04 -0.28376E-05 2770 0.155E-02 9174 T= 5647. E= 0.67471249E+03 F= 0.62799711E+03 E0= 0.65684451E+03 EK= 0.46715E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330648606541E+03 -0.34841E+00 -0.16394E-01 8604 0.230E+01 0.277E-01 RMM: 2 -0.330663557320E+03 -0.14951E-01 -0.79741E-02 5189 0.650E-01 0.117E+00 RMM: 3 -0.330654234157E+03 0.93232E-02 -0.87866E-03 5479 0.204E-01 0.187E-01 RMM: 4 -0.330654429821E+03 -0.19566E-03 -0.12375E-03 4646 0.810E-02 0.271E-01 RMM: 5 -0.330654002028E+03 0.42779E-03 -0.28911E-04 3886 0.428E-02 0.123E-01 RMM: 6 -0.330653903152E+03 0.98876E-04 -0.71010E-05 3490 0.239E-02 0.420E-02 RMM: 7 -0.330653925020E+03 -0.21868E-04 -0.44671E-05 3111 0.187E-02 0.778E-02 RMM: 8 -0.330653889627E+03 0.35393E-04 -0.32134E-05 2843 0.175E-02 0.299E-02 RMM: 9 -0.330653889386E+03 0.24119E-06 -0.12213E-05 2476 0.100E-02 9175 T= 6405. E= 0.68079043E+03 F= 0.62780421E+03 E0= 0.65664239E+03 EK= 0.52986E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331115750446E+03 -0.46186E+00 -0.18978E-01 8904 0.245E+01 0.268E-01 RMM: 2 -0.331127393746E+03 -0.11643E-01 -0.97089E-02 5173 0.730E-01 0.797E-01 RMM: 3 -0.331123089227E+03 0.43045E-02 -0.10182E-02 5662 0.201E-01 0.207E-01 RMM: 4 -0.331123200984E+03 -0.11176E-03 -0.11419E-03 4662 0.796E-02 0.282E-01 RMM: 5 -0.331122691453E+03 0.50953E-03 -0.32451E-04 3952 0.464E-02 0.105E-01 RMM: 6 -0.331122618507E+03 0.72946E-04 -0.61038E-05 3368 0.225E-02 0.341E-02 RMM: 7 -0.331122617100E+03 0.14066E-05 -0.17698E-05 2516 0.123E-02 9176 T= 7279. E= 0.68770866E+03 F= 0.62748903E+03 E0= 0.65631531E+03 EK= 0.60220E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331573501106E+03 -0.45088E+00 -0.21401E-01 8592 0.258E+01 0.269E-01 RMM: 2 -0.331586467359E+03 -0.12966E-01 -0.12025E-01 5132 0.801E-01 0.707E-01 RMM: 3 -0.331583158841E+03 0.33085E-02 -0.12559E-02 5869 0.209E-01 0.213E-01 RMM: 4 -0.331583265340E+03 -0.10650E-03 -0.10808E-03 4756 0.785E-02 0.318E-01 RMM: 5 -0.331582587796E+03 0.67754E-03 -0.36176E-04 4064 0.498E-02 0.823E-02 RMM: 6 -0.331582553839E+03 0.33956E-04 -0.61003E-05 3368 0.217E-02 0.567E-02 RMM: 7 -0.331582548384E+03 0.54556E-05 -0.59121E-05 3406 0.207E-02 9177 T= 7894. E= 0.69247994E+03 F= 0.62717733E+03 E0= 0.65599039E+03 EK= 0.65303E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331928756048E+03 -0.34620E+00 -0.22177E-01 8508 0.262E+01 0.277E-01 RMM: 2 -0.331945340993E+03 -0.16585E-01 -0.12490E-01 5173 0.803E-01 0.981E-01 RMM: 3 -0.331938408716E+03 0.69323E-02 -0.12616E-02 5715 0.218E-01 0.185E-01 RMM: 4 -0.331938606016E+03 -0.19730E-03 -0.12952E-03 4812 0.853E-02 0.298E-01 RMM: 5 -0.331938046432E+03 0.55958E-03 -0.34649E-04 3983 0.480E-02 0.109E-01 RMM: 6 -0.331937969950E+03 0.76482E-04 -0.67112E-05 3435 0.232E-02 0.390E-02 RMM: 7 -0.331937981668E+03 -0.11717E-04 -0.27441E-05 2631 0.154E-02 9178 T= 7898. E= 0.69230637E+03 F= 0.62696951E+03 E0= 0.65577029E+03 EK= 0.65337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332167273982E+03 -0.22930E+00 -0.21615E-01 8220 0.256E+01 0.223E-01 RMM: 2 -0.332182651493E+03 -0.15378E-01 -0.12229E-01 5070 0.783E-01 0.836E-01 RMM: 3 -0.332177029350E+03 0.56221E-02 -0.11677E-02 5738 0.216E-01 0.158E-01 RMM: 4 -0.332176985306E+03 0.44044E-04 -0.84780E-04 4694 0.676E-02 0.207E-01 RMM: 5 -0.332176735357E+03 0.24995E-03 -0.21432E-04 3902 0.391E-02 0.101E-01 RMM: 6 -0.332176689491E+03 0.45866E-04 -0.78062E-05 3523 0.249E-02 0.647E-02 RMM: 7 -0.332176729081E+03 -0.39591E-04 -0.69058E-05 3560 0.230E-02 0.101E-01 RMM: 8 -0.332176665105E+03 0.63976E-04 -0.37265E-05 3048 0.191E-02 0.285E-02 RMM: 9 -0.332176663644E+03 0.14606E-05 -0.10879E-05 2467 0.950E-03 9179 T= 7289. E= 0.68718243E+03 F= 0.62688373E+03 E0= 0.65567751E+03 EK= 0.60299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332365679831E+03 -0.18901E+00 -0.18894E-01 8352 0.242E+01 0.186E-01 RMM: 2 -0.332378481546E+03 -0.12802E-01 -0.10547E-01 5263 0.725E-01 0.732E-01 RMM: 3 -0.332374164457E+03 0.43171E-02 -0.88268E-03 5901 0.180E-01 0.145E-01 RMM: 4 -0.332374022532E+03 0.14193E-03 -0.60835E-04 4646 0.608E-02 0.160E-01 RMM: 5 -0.332373854377E+03 0.16816E-03 -0.22044E-04 3926 0.425E-02 0.820E-02 RMM: 6 -0.332373902319E+03 -0.47942E-04 -0.12491E-04 3870 0.302E-02 0.120E-01 RMM: 7 -0.332373847630E+03 0.54689E-04 -0.60151E-05 3408 0.232E-02 0.790E-02 RMM: 8 -0.332373808356E+03 0.39275E-04 -0.23151E-05 2660 0.150E-02 0.235E-02 RMM: 9 -0.332373811335E+03 -0.29799E-05 -0.10253E-05 2456 0.920E-03 9180 T= 6414. E= 0.67991051E+03 F= 0.62685000E+03 E0= 0.65564489E+03 EK= 0.53061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332632173343E+03 -0.25836E+00 -0.16339E-01 8436 0.227E+01 0.186E-01 RMM: 2 -0.332643281056E+03 -0.11108E-01 -0.94416E-02 5255 0.713E-01 0.684E-01 RMM: 3 -0.332639971332E+03 0.33097E-02 -0.87176E-03 5938 0.174E-01 0.172E-01 RMM: 4 -0.332639678394E+03 0.29294E-03 -0.48177E-04 4594 0.528E-02 0.127E-01 RMM: 5 -0.332639568050E+03 0.11034E-03 -0.20730E-04 3910 0.426E-02 0.914E-02 RMM: 6 -0.332639645517E+03 -0.77467E-04 -0.13775E-04 3879 0.315E-02 0.143E-01 RMM: 7 -0.332639559285E+03 0.86232E-04 -0.88567E-05 3760 0.272E-02 0.897E-02 RMM: 8 -0.332639510021E+03 0.49264E-04 -0.32901E-05 3006 0.174E-02 0.297E-02 RMM: 9 -0.332639515129E+03 -0.51077E-05 -0.15471E-05 2485 0.115E-02 9181 T= 5650. E= 0.67349820E+03 F= 0.62676086E+03 E0= 0.65556589E+03 EK= 0.46737E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333052684861E+03 -0.41317E+00 -0.14488E-01 7980 0.215E+01 0.190E-01 RMM: 2 -0.333063826923E+03 -0.11142E-01 -0.90825E-02 5135 0.703E-01 0.716E-01 RMM: 3 -0.333060247651E+03 0.35793E-02 -0.93939E-03 5900 0.176E-01 0.173E-01 RMM: 4 -0.333059947901E+03 0.29975E-03 -0.54756E-04 4573 0.574E-02 0.131E-01 RMM: 5 -0.333059825955E+03 0.12195E-03 -0.24170E-04 3975 0.456E-02 0.899E-02 RMM: 6 -0.333059898443E+03 -0.72488E-04 -0.16411E-04 3881 0.344E-02 0.139E-01 RMM: 7 -0.333059826390E+03 0.72053E-04 -0.77733E-05 3579 0.263E-02 0.904E-02 RMM: 8 -0.333059775618E+03 0.50772E-04 -0.30305E-05 2927 0.169E-02 0.284E-02 RMM: 9 -0.333059778762E+03 -0.31441E-05 -0.12480E-05 2468 0.103E-02 9182 T= 5202. E= 0.66956473E+03 F= 0.62652930E+03 E0= 0.65535366E+03 EK= 0.43035E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333667429331E+03 -0.60765E+00 -0.13218E-01 7956 0.209E+01 0.191E-01 RMM: 2 -0.333674698008E+03 -0.72687E-02 -0.62739E-02 5176 0.581E-01 0.592E-01 RMM: 3 -0.333672204599E+03 0.24934E-02 -0.60494E-03 5841 0.148E-01 0.144E-01 RMM: 4 -0.333672164730E+03 0.39869E-04 -0.55195E-04 4593 0.592E-02 0.181E-01 RMM: 5 -0.333671956415E+03 0.20831E-03 -0.23940E-04 3883 0.428E-02 0.921E-02 RMM: 6 -0.333671968421E+03 -0.12006E-04 -0.11319E-04 3826 0.293E-02 9183 T= 5137. E= 0.66860648E+03 F= 0.62611341E+03 E0= 0.65496586E+03 EK= 0.42493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334460102716E+03 -0.78815E+00 -0.13539E-01 8184 0.212E+01 0.363E-01 RMM: 2 -0.334486352470E+03 -0.26250E-01 -0.71041E-02 5170 0.634E-01 0.181E+00 RMM: 3 -0.334464439851E+03 0.21913E-01 -0.12107E-02 5352 0.271E-01 0.303E-01 RMM: 4 -0.334464003889E+03 0.43596E-03 -0.15778E-03 4699 0.842E-02 0.191E-01 RMM: 5 -0.334464025083E+03 -0.21193E-04 -0.40759E-04 4219 0.508E-02 0.216E-01 RMM: 6 -0.334463738025E+03 0.28706E-03 -0.20969E-04 3896 0.398E-02 0.751E-02 RMM: 7 -0.334463769408E+03 -0.31383E-04 -0.96507E-05 3770 0.267E-02 0.991E-02 RMM: 8 -0.334463719208E+03 0.50200E-04 -0.41125E-05 3147 0.202E-02 0.497E-02 RMM: 9 -0.334463706514E+03 0.12694E-04 -0.13556E-05 2512 0.113E-02 9184 T= 5454. E= 0.67064189E+03 F= 0.62551908E+03 E0= 0.65440889E+03 EK= 0.45123E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335370641787E+03 -0.90692E+00 -0.14002E-01 8664 0.221E+01 0.335E-01 RMM: 2 -0.335394355134E+03 -0.23713E-01 -0.63370E-02 5323 0.609E-01 0.171E+00 RMM: 3 -0.335374561944E+03 0.19793E-01 -0.99746E-03 5378 0.245E-01 0.312E-01 RMM: 4 -0.335374065760E+03 0.49618E-03 -0.16879E-03 4635 0.928E-02 0.199E-01 RMM: 5 -0.335374057123E+03 0.86368E-05 -0.33583E-04 3951 0.478E-02 0.200E-01 RMM: 6 -0.335373776436E+03 0.28069E-03 -0.12291E-04 3832 0.321E-02 0.354E-02 RMM: 7 -0.335373779760E+03 -0.33235E-05 -0.26114E-05 2699 0.144E-02 9185 T= 6108. E= 0.67533108E+03 F= 0.62480158E+03 E0= 0.65373741E+03 EK= 0.50530E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336277231325E+03 -0.90345E+00 -0.15829E-01 8760 0.234E+01 0.324E-01 RMM: 2 -0.336294130508E+03 -0.16899E-01 -0.77293E-02 5351 0.671E-01 0.135E+00 RMM: 3 -0.336282181630E+03 0.11949E-01 -0.86006E-03 5401 0.216E-01 0.260E-01 RMM: 4 -0.336282267930E+03 -0.86300E-04 -0.15384E-03 4631 0.916E-02 0.290E-01 RMM: 5 -0.336281782788E+03 0.48514E-03 -0.33946E-04 3889 0.454E-02 0.147E-01 RMM: 6 -0.336281646254E+03 0.13653E-03 -0.99292E-05 3677 0.281E-02 0.476E-02 RMM: 7 -0.336281668242E+03 -0.21987E-04 -0.45292E-05 3128 0.187E-02 0.826E-02 RMM: 8 -0.336281623400E+03 0.44841E-04 -0.36811E-05 2880 0.187E-02 0.303E-02 RMM: 9 -0.336281624784E+03 -0.13833E-05 -0.14637E-05 2496 0.112E-02 9186 T= 6942. E= 0.68150719E+03 F= 0.62407834E+03 E0= 0.65306797E+03 EK= 0.57429E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337018030498E+03 -0.73641E+00 -0.18345E-01 8376 0.247E+01 0.310E-01 RMM: 2 -0.337031486184E+03 -0.13456E-01 -0.10514E-01 5233 0.800E-01 0.972E-01 RMM: 3 -0.337025581428E+03 0.59048E-02 -0.10750E-02 5610 0.215E-01 0.236E-01 RMM: 4 -0.337025776992E+03 -0.19556E-03 -0.14292E-03 4684 0.903E-02 0.324E-01 RMM: 5 -0.337025146843E+03 0.63015E-03 -0.41312E-04 4063 0.511E-02 0.137E-01 RMM: 6 -0.337025022769E+03 0.12407E-03 -0.97123E-05 3687 0.274E-02 0.412E-02 RMM: 7 -0.337025028262E+03 -0.54934E-05 -0.28418E-05 2640 0.154E-02 9187 T= 7639. E= 0.68671012E+03 F= 0.62351233E+03 E0= 0.65256075E+03 EK= 0.63198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337448305118E+03 -0.42328E+00 -0.20127E-01 8340 0.254E+01 0.291E-01 RMM: 2 -0.337460953593E+03 -0.12648E-01 -0.10769E-01 5132 0.798E-01 0.847E-01 RMM: 3 -0.337456410542E+03 0.45431E-02 -0.11469E-02 5696 0.218E-01 0.199E-01 RMM: 4 -0.337456716980E+03 -0.30644E-03 -0.11756E-03 4732 0.798E-02 0.327E-01 RMM: 5 -0.337455994821E+03 0.72216E-03 -0.35513E-04 4018 0.476E-02 0.871E-02 RMM: 6 -0.337455961877E+03 0.32944E-04 -0.77074E-05 3518 0.237E-02 0.626E-02 RMM: 7 -0.337455983160E+03 -0.21283E-04 -0.51193E-05 3218 0.195E-02 0.918E-02 RMM: 8 -0.337455930172E+03 0.52988E-04 -0.39808E-05 3015 0.193E-02 0.295E-02 RMM: 9 -0.337455936694E+03 -0.65218E-05 -0.15718E-05 2507 0.117E-02 9188 T= 7834. E= 0.68806512E+03 F= 0.62325588E+03 E0= 0.65236358E+03 EK= 0.64809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337510943613E+03 -0.55013E-01 -0.19852E-01 8052 0.251E+01 0.256E-01 RMM: 2 -0.337523224228E+03 -0.12281E-01 -0.10346E-01 4972 0.773E-01 0.801E-01 RMM: 3 -0.337518938904E+03 0.42853E-02 -0.11281E-02 5769 0.212E-01 0.205E-01 RMM: 4 -0.337518936959E+03 0.19445E-05 -0.10637E-03 4723 0.781E-02 0.257E-01 RMM: 5 -0.337518600487E+03 0.33647E-03 -0.29804E-04 4005 0.445E-02 0.144E-01 RMM: 6 -0.337518465046E+03 0.13544E-03 -0.11134E-04 3761 0.304E-02 0.404E-02 RMM: 7 -0.337518504058E+03 -0.39012E-04 -0.44323E-05 3112 0.185E-02 0.898E-02 RMM: 8 -0.337518454950E+03 0.49108E-04 -0.29413E-05 2651 0.178E-02 0.260E-02 RMM: 9 -0.337518453541E+03 0.14082E-05 -0.93027E-06 2458 0.866E-03 9189 T= 7407. E= 0.68464706E+03 F= 0.62337106E+03 E0= 0.65253221E+03 EK= 0.61276E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337276354599E+03 0.24210E+00 -0.18049E-01 7680 0.240E+01 0.200E-01 RMM: 2 -0.337286321157E+03 -0.99666E-02 -0.87599E-02 5018 0.687E-01 0.635E-01 RMM: 3 -0.337283221395E+03 0.30998E-02 -0.84679E-03 5811 0.183E-01 0.141E-01 RMM: 4 -0.337283271964E+03 -0.50569E-04 -0.70786E-04 4648 0.676E-02 0.217E-01 RMM: 5 -0.337282975768E+03 0.29620E-03 -0.27897E-04 4093 0.464E-02 0.828E-02 RMM: 6 -0.337283031360E+03 -0.55592E-04 -0.12778E-04 3872 0.303E-02 0.123E-01 RMM: 7 -0.337282968553E+03 0.62807E-04 -0.57978E-05 3391 0.233E-02 0.765E-02 RMM: 8 -0.337282932148E+03 0.36405E-04 -0.22611E-05 2685 0.150E-02 0.243E-02 RMM: 9 -0.337282937041E+03 -0.48933E-05 -0.95612E-06 2465 0.896E-03 9190 T= 6606. E= 0.67844307E+03 F= 0.62379346E+03 E0= 0.65299791E+03 EK= 0.54650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336891248539E+03 0.39168E+00 -0.16175E-01 7812 0.226E+01 0.236E-01 RMM: 2 -0.336906812449E+03 -0.15564E-01 -0.94290E-02 4972 0.739E-01 0.108E+00 RMM: 3 -0.336898742557E+03 0.80699E-02 -0.10417E-02 5611 0.214E-01 0.209E-01 RMM: 4 -0.336898468683E+03 0.27387E-03 -0.84788E-04 4665 0.671E-02 0.152E-01 RMM: 5 -0.336898363619E+03 0.10506E-03 -0.32504E-04 4412 0.525E-02 0.124E-01 RMM: 6 -0.336898326721E+03 0.36898E-04 -0.16159E-04 3883 0.345E-02 0.102E-01 RMM: 7 -0.336898358688E+03 -0.31967E-04 -0.90394E-05 3695 0.270E-02 0.121E-01 RMM: 8 -0.336898266603E+03 0.92085E-04 -0.43977E-05 3193 0.205E-02 0.318E-02 RMM: 9 -0.336898266030E+03 0.57312E-06 -0.10665E-05 2479 0.943E-03 9191 T= 5807. E= 0.67241974E+03 F= 0.62437766E+03 E0= 0.65361370E+03 EK= 0.48042E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336504563936E+03 0.39370E+00 -0.14324E-01 7812 0.215E+01 0.208E-01 RMM: 2 -0.336514513272E+03 -0.99493E-02 -0.74398E-02 5119 0.643E-01 0.762E-01 RMM: 3 -0.336510342132E+03 0.41711E-02 -0.72789E-03 5731 0.172E-01 0.156E-01 RMM: 4 -0.336510301501E+03 0.40631E-04 -0.64477E-04 4608 0.640E-02 0.198E-01 RMM: 5 -0.336510049269E+03 0.25223E-03 -0.32915E-04 4337 0.516E-02 0.910E-02 RMM: 6 -0.336510175403E+03 -0.12613E-03 -0.19300E-04 3891 0.364E-02 0.163E-01 RMM: 7 -0.336510047641E+03 0.12776E-03 -0.83702E-05 3615 0.280E-02 0.869E-02 RMM: 8 -0.336510001469E+03 0.46172E-04 -0.26872E-05 2841 0.157E-02 0.276E-02 RMM: 9 -0.336510010281E+03 -0.88119E-05 -0.12038E-05 2482 0.983E-03 9192 T= 5265. E= 0.66853661E+03 F= 0.62497763E+03 E0= 0.65423332E+03 EK= 0.43559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336207267615E+03 0.30273E+00 -0.13173E-01 7812 0.209E+01 0.216E-01 RMM: 2 -0.336217717023E+03 -0.10449E-01 -0.70252E-02 5036 0.620E-01 0.850E-01 RMM: 3 -0.336212656377E+03 0.50606E-02 -0.74468E-03 5620 0.176E-01 0.183E-01 RMM: 4 -0.336212539916E+03 0.11646E-03 -0.74194E-04 4627 0.652E-02 0.179E-01 RMM: 5 -0.336212399585E+03 0.14033E-03 -0.31334E-04 4285 0.505E-02 0.129E-01 RMM: 6 -0.336212331092E+03 0.68493E-04 -0.12746E-04 3864 0.307E-02 0.830E-02 RMM: 7 -0.336212347439E+03 -0.16347E-04 -0.65633E-05 3468 0.237E-02 9193 T= 5084. E= 0.66755582E+03 F= 0.62549463E+03 E0= 0.65475918E+03 EK= 0.42061E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336034758309E+03 0.17757E+00 -0.12589E-01 8196 0.210E+01 0.253E-01 RMM: 2 -0.336041965902E+03 -0.72076E-02 -0.54967E-02 5156 0.542E-01 0.712E-01 RMM: 3 -0.336038422041E+03 0.35439E-02 -0.55958E-03 5624 0.153E-01 0.174E-01 RMM: 4 -0.336038793140E+03 -0.37110E-03 -0.98146E-04 4615 0.780E-02 0.316E-01 RMM: 5 -0.336038144867E+03 0.64827E-03 -0.41436E-04 4215 0.540E-02 0.854E-02 RMM: 6 -0.336038179805E+03 -0.34938E-04 -0.11309E-04 3826 0.284E-02 0.113E-01 RMM: 7 -0.336038146322E+03 0.33483E-04 -0.57521E-05 3381 0.223E-02 0.870E-02 RMM: 8 -0.336038100208E+03 0.46114E-04 -0.29272E-05 2929 0.171E-02 0.251E-02 RMM: 9 -0.336038106709E+03 -0.65006E-05 -0.96672E-06 2474 0.863E-03 9194 T= 5290. E= 0.66964971E+03 F= 0.62588866E+03 E0= 0.65515142E+03 EK= 0.43761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335954145794E+03 0.83954E-01 -0.13992E-01 8448 0.219E+01 0.221E-01 RMM: 2 -0.335963135555E+03 -0.89898E-02 -0.71552E-02 5009 0.617E-01 0.710E-01 RMM: 3 -0.335959554746E+03 0.35808E-02 -0.75926E-03 5612 0.174E-01 0.163E-01 RMM: 4 -0.335959810863E+03 -0.25612E-03 -0.84521E-04 4649 0.694E-02 0.276E-01 RMM: 5 -0.335959328628E+03 0.48224E-03 -0.25329E-04 3887 0.417E-02 0.896E-02 RMM: 6 -0.335959277280E+03 0.51348E-04 -0.50324E-05 3226 0.211E-02 0.329E-02 RMM: 7 -0.335959287776E+03 -0.10496E-04 -0.21919E-05 2554 0.137E-02 9195 T= 5864. E= 0.67468998E+03 F= 0.62618059E+03 E0= 0.65543037E+03 EK= 0.48509E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335883631548E+03 0.75646E-01 -0.15294E-01 8856 0.233E+01 0.280E-01 RMM: 2 -0.335891246531E+03 -0.76150E-02 -0.68661E-02 5344 0.615E-01 0.668E-01 RMM: 3 -0.335888378355E+03 0.28682E-02 -0.64611E-03 5633 0.166E-01 0.230E-01 RMM: 4 -0.335888722504E+03 -0.34415E-03 -0.10756E-03 4625 0.796E-02 0.346E-01 RMM: 5 -0.335887928016E+03 0.79449E-03 -0.43399E-04 4124 0.539E-02 0.792E-02 RMM: 6 -0.335887903533E+03 0.24482E-04 -0.62087E-05 3389 0.217E-02 0.645E-02 RMM: 7 -0.335887913066E+03 -0.95329E-05 -0.43310E-05 3042 0.180E-02 9196 T= 6702. E= 0.68189347E+03 F= 0.62645402E+03 E0= 0.65567906E+03 EK= 0.55439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335678044603E+03 0.20986E+00 -0.17684E-01 8808 0.249E+01 0.293E-01 RMM: 2 -0.335689462413E+03 -0.11418E-01 -0.95556E-02 5245 0.729E-01 0.812E-01 RMM: 3 -0.335685190819E+03 0.42716E-02 -0.95696E-03 5599 0.200E-01 0.249E-01 RMM: 4 -0.335685515871E+03 -0.32505E-03 -0.13080E-03 4691 0.867E-02 0.352E-01 RMM: 5 -0.335684709535E+03 0.80634E-03 -0.42480E-04 4190 0.532E-02 0.105E-01 RMM: 6 -0.335684641219E+03 0.68315E-04 -0.72335E-05 3500 0.232E-02 0.419E-02 RMM: 7 -0.335684647139E+03 -0.59197E-05 -0.23990E-05 2576 0.141E-02 9197 T= 7530. E= 0.68913852E+03 F= 0.62684816E+03 E0= 0.65603600E+03 EK= 0.62290E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335195683074E+03 0.48896E+00 -0.19305E-01 8772 0.260E+01 0.302E-01 RMM: 2 -0.335208736965E+03 -0.13054E-01 -0.10432E-01 5305 0.754E-01 0.898E-01 RMM: 3 -0.335203240707E+03 0.54963E-02 -0.98202E-03 5590 0.209E-01 0.239E-01 RMM: 4 -0.335203631265E+03 -0.39056E-03 -0.13114E-03 4709 0.862E-02 0.363E-01 RMM: 5 -0.335202773379E+03 0.85789E-03 -0.43172E-04 4242 0.536E-02 0.105E-01 RMM: 6 -0.335202704955E+03 0.68423E-04 -0.86891E-05 3630 0.247E-02 0.532E-02 RMM: 7 -0.335202717151E+03 -0.12196E-04 -0.43249E-05 3052 0.180E-02 9198 T= 7941. E= 0.69320905E+03 F= 0.62751385E+03 E0= 0.65665490E+03 EK= 0.65695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334370962028E+03 0.83174E+00 -0.19362E-01 8496 0.262E+01 0.291E-01 RMM: 2 -0.334385791565E+03 -0.14830E-01 -0.10301E-01 5283 0.735E-01 0.103E+00 RMM: 3 -0.334378264249E+03 0.75273E-02 -0.96890E-03 5613 0.214E-01 0.226E-01 RMM: 4 -0.334378414956E+03 -0.15071E-03 -0.12534E-03 4684 0.827E-02 0.289E-01 RMM: 5 -0.334377918840E+03 0.49612E-03 -0.31143E-04 3922 0.448E-02 0.130E-01 RMM: 6 -0.334377813128E+03 0.10571E-03 -0.99584E-05 3710 0.284E-02 0.491E-02 RMM: 7 -0.334377849269E+03 -0.36142E-04 -0.48939E-05 3187 0.191E-02 0.927E-02 RMM: 8 -0.334377801657E+03 0.47613E-04 -0.39836E-05 2946 0.194E-02 0.400E-02 RMM: 9 -0.334377794299E+03 0.73582E-05 -0.14269E-05 2489 0.112E-02 9199 T= 7681. E= 0.69206865E+03 F= 0.62852210E+03 E0= 0.65760988E+03 EK= 0.63547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333282706983E+03 0.10951E+01 -0.18996E-01 8220 0.253E+01 0.265E-01 RMM: 2 -0.333298963138E+03 -0.16256E-01 -0.11272E-01 5220 0.771E-01 0.103E+00 RMM: 3 -0.333291271128E+03 0.76920E-02 -0.10984E-02 5724 0.217E-01 0.219E-01 RMM: 4 -0.333291034078E+03 0.23705E-03 -0.10209E-03 4687 0.743E-02 0.192E-01 RMM: 5 -0.333290850546E+03 0.18353E-03 -0.29676E-04 4023 0.461E-02 0.139E-01 RMM: 6 -0.333290748790E+03 0.10176E-03 -0.14227E-04 3896 0.333E-02 0.753E-02 RMM: 7 -0.333290823810E+03 -0.75020E-04 -0.93592E-05 3806 0.259E-02 0.131E-01 RMM: 8 -0.333290713013E+03 0.11080E-03 -0.49085E-05 3229 0.215E-02 0.348E-02 RMM: 9 -0.333290708583E+03 0.44296E-05 -0.12345E-05 2489 0.999E-03 9200 T= 6906. E= 0.68692683E+03 F= 0.62979909E+03 E0= 0.65883306E+03 EK= 0.57128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332125696782E+03 0.11650E+01 -0.17200E-01 7968 0.238E+01 0.242E-01 RMM: 2 -0.332142751952E+03 -0.17055E-01 -0.11694E-01 5351 0.793E-01 0.104E+00 RMM: 3 -0.332135061043E+03 0.76909E-02 -0.10624E-02 5775 0.203E-01 0.199E-01 RMM: 4 -0.332134747939E+03 0.31310E-03 -0.81840E-04 4673 0.671E-02 0.166E-01 RMM: 5 -0.332134560293E+03 0.18765E-03 -0.28372E-04 4078 0.478E-02 0.103E-01 RMM: 6 -0.332134661971E+03 -0.10168E-03 -0.18126E-04 3885 0.356E-02 0.164E-01 RMM: 7 -0.332134545452E+03 0.11652E-03 -0.10835E-04 3884 0.299E-02 0.101E-01 RMM: 8 -0.332134480718E+03 0.64734E-04 -0.38612E-05 3083 0.185E-02 0.314E-02 RMM: 9 -0.332134490027E+03 -0.93089E-05 -0.17536E-05 2511 0.119E-02 9201 T= 6020. E= 0.68095459E+03 F= 0.63115668E+03 E0= 0.66013969E+03 EK= 0.49798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331112417661E+03 0.10221E+01 -0.15301E-01 7968 0.224E+01 0.239E-01 RMM: 2 -0.331127786337E+03 -0.15369E-01 -0.11137E-01 5344 0.794E-01 0.963E-01 RMM: 3 -0.331121542251E+03 0.62441E-02 -0.10927E-02 5745 0.205E-01 0.229E-01 RMM: 4 -0.331121107910E+03 0.43434E-03 -0.79819E-04 4682 0.644E-02 0.148E-01 RMM: 5 -0.331120948662E+03 0.15925E-03 -0.27455E-04 4054 0.477E-02 0.108E-01 RMM: 6 -0.331121029828E+03 -0.81166E-04 -0.17300E-04 3883 0.352E-02 0.160E-01 RMM: 7 -0.331120941388E+03 0.88440E-04 -0.12914E-04 3893 0.324E-02 0.115E-01 RMM: 8 -0.331120857052E+03 0.84337E-04 -0.48794E-05 3228 0.208E-02 0.336E-02 RMM: 9 -0.331120862665E+03 -0.56132E-05 -0.19297E-05 2510 0.127E-02 9202 T= 5354. E= 0.67667709E+03 F= 0.63238405E+03 E0= 0.66132084E+03 EK= 0.44293E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330402237251E+03 0.71862E+00 -0.13652E-01 7944 0.214E+01 0.226E-01 RMM: 2 -0.330415096221E+03 -0.12859E-01 -0.92229E-02 5267 0.713E-01 0.887E-01 RMM: 3 -0.330409672872E+03 0.54233E-02 -0.90964E-03 5792 0.181E-01 0.179E-01 RMM: 4 -0.330409444161E+03 0.22871E-03 -0.71053E-04 4645 0.651E-02 0.175E-01 RMM: 5 -0.330409235911E+03 0.20825E-03 -0.32059E-04 4257 0.508E-02 0.934E-02 RMM: 6 -0.330409388955E+03 -0.15304E-03 -0.19480E-04 3890 0.365E-02 0.177E-01 RMM: 7 -0.330409222985E+03 0.16597E-03 -0.93154E-05 3738 0.286E-02 0.839E-02 RMM: 8 -0.330409179578E+03 0.43407E-04 -0.28525E-05 2883 0.160E-02 0.298E-02 RMM: 9 -0.330409188314E+03 -0.87362E-05 -0.15181E-05 2496 0.111E-02 9203 T= 5063. E= 0.67520031E+03 F= 0.63331820E+03 E0= 0.66221274E+03 EK= 0.41882E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330080650982E+03 0.32853E+00 -0.12941E-01 7824 0.212E+01 0.214E-01 RMM: 2 -0.330089753341E+03 -0.91024E-02 -0.73393E-02 5166 0.633E-01 0.695E-01 RMM: 3 -0.330086394994E+03 0.33583E-02 -0.75240E-03 5796 0.165E-01 0.169E-01 RMM: 4 -0.330086338902E+03 0.56092E-04 -0.69724E-04 4625 0.652E-02 0.207E-01 RMM: 5 -0.330086076963E+03 0.26194E-03 -0.30827E-04 4083 0.490E-02 0.101E-01 RMM: 6 -0.330086081147E+03 -0.41842E-05 -0.13234E-04 3874 0.311E-02 9204 T= 5192. E= 0.67682016E+03 F= 0.63386550E+03 E0= 0.66272148E+03 EK= 0.42955E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330165813957E+03 -0.79737E-01 -0.13328E-01 7800 0.219E+01 0.385E-01 RMM: 2 -0.330192678052E+03 -0.26864E-01 -0.70438E-02 5281 0.642E-01 0.185E+00 RMM: 3 -0.330169792128E+03 0.22886E-01 -0.12532E-02 5344 0.276E-01 0.286E-01 RMM: 4 -0.330169609979E+03 0.18215E-03 -0.17448E-03 4682 0.908E-02 0.251E-01 RMM: 5 -0.330169441109E+03 0.16887E-03 -0.41298E-04 4171 0.510E-02 0.215E-01 RMM: 6 -0.330169151965E+03 0.28914E-03 -0.19926E-04 3883 0.392E-02 0.724E-02 RMM: 7 -0.330169191465E+03 -0.39500E-04 -0.92955E-05 3718 0.260E-02 0.104E-01 RMM: 8 -0.330169131743E+03 0.59722E-04 -0.43299E-05 3165 0.204E-02 0.443E-02 RMM: 9 -0.330169123049E+03 0.86941E-05 -0.14127E-05 2507 0.114E-02 9205 T= 5742. E= 0.68150087E+03 F= 0.63400074E+03 E0= 0.66281962E+03 EK= 0.47500E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330600465201E+03 -0.43133E+00 -0.15001E-01 7740 0.233E+01 0.346E-01 RMM: 2 -0.330623552213E+03 -0.23087E-01 -0.81608E-02 5309 0.703E-01 0.163E+00 RMM: 3 -0.330605859924E+03 0.17692E-01 -0.11443E-02 5363 0.257E-01 0.306E-01 RMM: 4 -0.330605578794E+03 0.28113E-03 -0.19012E-03 4769 0.990E-02 0.254E-01 RMM: 5 -0.330605331097E+03 0.24770E-03 -0.39429E-04 4099 0.530E-02 0.180E-01 RMM: 6 -0.330605106678E+03 0.22442E-03 -0.11019E-04 3782 0.293E-02 0.348E-02 RMM: 7 -0.330605106563E+03 0.11536E-06 -0.22716E-05 2590 0.138E-02 9206 T= 6629. E= 0.68861276E+03 F= 0.63377198E+03 E0= 0.66255512E+03 EK= 0.54841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331255769172E+03 -0.65066E+00 -0.17438E-01 8100 0.249E+01 0.375E-01 RMM: 2 -0.331277435856E+03 -0.21667E-01 -0.11183E-01 5358 0.823E-01 0.147E+00 RMM: 3 -0.331263292132E+03 0.14144E-01 -0.12243E-02 5444 0.251E-01 0.247E-01 RMM: 4 -0.331263738845E+03 -0.44671E-03 -0.20975E-03 4884 0.107E-01 0.381E-01 RMM: 5 -0.331262815579E+03 0.92327E-03 -0.55642E-04 4499 0.605E-02 0.132E-01 RMM: 6 -0.331262704562E+03 0.11102E-03 -0.10115E-04 3761 0.255E-02 0.517E-02 RMM: 7 -0.331262717027E+03 -0.12465E-04 -0.47639E-05 3176 0.192E-02 9207 T= 7588. E= 0.69607920E+03 F= 0.63330984E+03 E0= 0.66205978E+03 EK= 0.62769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331949203827E+03 -0.68650E+00 -0.19712E-01 8244 0.262E+01 0.355E-01 RMM: 2 -0.331967250576E+03 -0.18047E-01 -0.14782E-01 5248 0.931E-01 0.103E+00 RMM: 3 -0.331960558782E+03 0.66918E-02 -0.15571E-02 5697 0.249E-01 0.259E-01 RMM: 4 -0.331961048410E+03 -0.48963E-03 -0.18113E-03 4823 0.101E-01 0.420E-01 RMM: 5 -0.331959863227E+03 0.11852E-02 -0.59520E-04 4543 0.628E-02 0.102E-01 RMM: 6 -0.331959801418E+03 0.61809E-04 -0.85763E-05 3614 0.232E-02 0.486E-02 RMM: 7 -0.331959802561E+03 -0.11430E-05 -0.31480E-05 2697 0.157E-02 9208 T= 8154. E= 0.70025462E+03 F= 0.63280059E+03 E0= 0.66152015E+03 EK= 0.67454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332528332159E+03 -0.56853E+00 -0.20408E-01 8280 0.265E+01 0.321E-01 RMM: 2 -0.332547290428E+03 -0.18958E-01 -0.15632E-01 5081 0.935E-01 0.982E-01 RMM: 3 -0.332540860176E+03 0.64303E-02 -0.16906E-02 5778 0.256E-01 0.239E-01 RMM: 4 -0.332541088981E+03 -0.22880E-03 -0.17089E-03 4956 0.991E-02 0.358E-01 RMM: 5 -0.332540232604E+03 0.85638E-03 -0.48905E-04 4424 0.558E-02 0.112E-01 RMM: 6 -0.332540163878E+03 0.68727E-04 -0.90449E-05 3644 0.246E-02 0.598E-02 RMM: 7 -0.332540190230E+03 -0.26352E-04 -0.70842E-05 3620 0.214E-02 0.988E-02 RMM: 8 -0.332540128511E+03 0.61720E-04 -0.58041E-05 3416 0.211E-02 0.298E-02 RMM: 9 -0.332540138876E+03 -0.10365E-04 -0.20861E-05 2555 0.133E-02 9209 T= 7971. E= 0.69835010E+03 F= 0.63240793E+03 E0= 0.66110437E+03 EK= 0.65942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332957282633E+03 -0.41715E+00 -0.19433E-01 8052 0.256E+01 0.268E-01 RMM: 2 -0.332972730392E+03 -0.15448E-01 -0.13449E-01 4906 0.855E-01 0.786E-01 RMM: 3 -0.332967843734E+03 0.48867E-02 -0.14495E-02 5774 0.249E-01 0.190E-01 RMM: 4 -0.332968203087E+03 -0.35935E-03 -0.12284E-03 4996 0.851E-02 0.334E-01 RMM: 5 -0.332967458747E+03 0.74434E-03 -0.35640E-04 4150 0.487E-02 0.952E-02 RMM: 6 -0.332967417361E+03 0.41386E-04 -0.96138E-05 3655 0.266E-02 0.633E-02 RMM: 7 -0.332967445409E+03 -0.28049E-04 -0.61526E-05 3439 0.215E-02 0.944E-02 RMM: 8 -0.332967388422E+03 0.56987E-04 -0.30965E-05 2846 0.173E-02 0.239E-02 RMM: 9 -0.332967390195E+03 -0.17724E-05 -0.11370E-05 2469 0.931E-03 9210 T= 7155. E= 0.69136722E+03 F= 0.63217664E+03 E0= 0.66086042E+03 EK= 0.59191E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333317604096E+03 -0.35022E+00 -0.17038E-01 8208 0.240E+01 0.227E-01 RMM: 2 -0.333330504879E+03 -0.12901E-01 -0.11417E-01 5061 0.789E-01 0.692E-01 RMM: 3 -0.333326659586E+03 0.38453E-02 -0.11299E-02 5989 0.214E-01 0.167E-01 RMM: 4 -0.333326611481E+03 0.48105E-04 -0.79126E-04 4763 0.719E-02 0.225E-01 RMM: 5 -0.333326273563E+03 0.33792E-03 -0.31427E-04 4226 0.490E-02 0.953E-02 RMM: 6 -0.333326372280E+03 -0.98717E-04 -0.18423E-04 3883 0.358E-02 0.155E-01 RMM: 7 -0.333326264116E+03 0.10816E-03 -0.90214E-05 3753 0.278E-02 0.902E-02 RMM: 8 -0.333326212020E+03 0.52097E-04 -0.30218E-05 2913 0.166E-02 0.281E-02 RMM: 9 -0.333326218901E+03 -0.68817E-05 -0.15572E-05 2487 0.113E-02 9211 T= 6164. E= 0.68301992E+03 F= 0.63202868E+03 E0= 0.66071100E+03 EK= 0.50991E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333734897244E+03 -0.40869E+00 -0.15236E-01 8124 0.224E+01 0.245E-01 RMM: 2 -0.333750486255E+03 -0.15589E-01 -0.11732E-01 5086 0.823E-01 0.936E-01 RMM: 3 -0.333744331976E+03 0.61543E-02 -0.12229E-02 5840 0.220E-01 0.200E-01 RMM: 4 -0.333744058848E+03 0.27313E-03 -0.87489E-04 4771 0.724E-02 0.184E-01 RMM: 5 -0.333743825363E+03 0.23348E-03 -0.35743E-04 4428 0.533E-02 0.107E-01 RMM: 6 -0.333743917812E+03 -0.92449E-04 -0.21917E-04 3878 0.389E-02 0.160E-01 RMM: 7 -0.333743826465E+03 0.91348E-04 -0.10974E-04 3870 0.303E-02 0.109E-01 RMM: 8 -0.333743749880E+03 0.76584E-04 -0.39072E-05 3113 0.184E-02 0.310E-02 RMM: 9 -0.333743754732E+03 -0.48515E-05 -0.15279E-05 2490 0.112E-02 9212 T= 5386. E= 0.67639866E+03 F= 0.63183933E+03 E0= 0.66053095E+03 EK= 0.44559E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334314355862E+03 -0.57061E+00 -0.13493E-01 8424 0.213E+01 0.235E-01 RMM: 2 -0.334325814626E+03 -0.11459E-01 -0.87875E-02 5258 0.699E-01 0.816E-01 RMM: 3 -0.334321091346E+03 0.47233E-02 -0.80862E-03 5811 0.178E-01 0.183E-01 RMM: 4 -0.334321006711E+03 0.84634E-04 -0.77470E-04 4647 0.708E-02 0.218E-01 RMM: 5 -0.334320685051E+03 0.32166E-03 -0.38962E-04 4483 0.548E-02 0.105E-01 RMM: 6 -0.334320799182E+03 -0.11413E-03 -0.23027E-04 3888 0.393E-02 0.167E-01 RMM: 7 -0.334320676125E+03 0.12306E-03 -0.10418E-04 3804 0.304E-02 0.986E-02 RMM: 8 -0.334320613421E+03 0.62704E-04 -0.35357E-05 3049 0.177E-02 0.293E-02 RMM: 9 -0.334320620023E+03 -0.66012E-05 -0.15305E-05 2497 0.112E-02 9213 T= 4992. E= 0.67280546E+03 F= 0.63150500E+03 E0= 0.66021493E+03 EK= 0.41300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335100511718E+03 -0.77990E+00 -0.12678E-01 8448 0.210E+01 0.249E-01 RMM: 2 -0.335111213835E+03 -0.10702E-01 -0.71432E-02 5221 0.630E-01 0.900E-01 RMM: 3 -0.335105579339E+03 0.56345E-02 -0.70395E-03 5682 0.174E-01 0.167E-01 RMM: 4 -0.335105716984E+03 -0.13765E-03 -0.92022E-04 4626 0.755E-02 0.259E-01 RMM: 5 -0.335105310877E+03 0.40611E-03 -0.36502E-04 4256 0.513E-02 0.116E-01 RMM: 6 -0.335105294269E+03 0.16608E-04 -0.15034E-04 3878 0.326E-02 9214 T= 5021. E= 0.67250516E+03 F= 0.63096964E+03 E0= 0.65970625E+03 EK= 0.41536E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336090784374E+03 -0.98547E+00 -0.12770E-01 8508 0.215E+01 0.404E-01 RMM: 2 -0.336115263715E+03 -0.24479E-01 -0.65955E-02 5301 0.623E-01 0.176E+00 RMM: 3 -0.336094144561E+03 0.21119E-01 -0.12501E-02 5329 0.279E-01 0.292E-01 RMM: 4 -0.336094049071E+03 0.95489E-04 -0.18364E-03 4757 0.949E-02 0.288E-01 RMM: 5 -0.336093807772E+03 0.24130E-03 -0.52774E-04 4529 0.566E-02 0.237E-01 RMM: 6 -0.336093452823E+03 0.35495E-03 -0.30270E-04 3912 0.469E-02 0.842E-02 RMM: 7 -0.336093506266E+03 -0.53443E-04 -0.11007E-04 3842 0.285E-02 0.121E-01 RMM: 8 -0.336093425086E+03 0.81179E-04 -0.49648E-05 3287 0.213E-02 0.535E-02 RMM: 9 -0.336093410262E+03 0.14824E-04 -0.16332E-05 2539 0.121E-02 9215 T= 5465. E= 0.67544117E+03 F= 0.63022823E+03 E0= 0.65899883E+03 EK= 0.45213E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337223394635E+03 -0.11300E+01 -0.13983E-01 8160 0.228E+01 0.395E-01 RMM: 2 -0.337251120450E+03 -0.27726E-01 -0.75403E-02 5278 0.679E-01 0.185E+00 RMM: 3 -0.337227863762E+03 0.23257E-01 -0.13171E-02 5332 0.287E-01 0.388E-01 RMM: 4 -0.337227084029E+03 0.77973E-03 -0.22578E-03 4943 0.108E-01 0.231E-01 RMM: 5 -0.337227039227E+03 0.44802E-04 -0.43742E-04 4369 0.548E-02 0.225E-01 RMM: 6 -0.337226686785E+03 0.35244E-03 -0.14909E-04 3867 0.333E-02 0.437E-02 RMM: 7 -0.337226684046E+03 0.27388E-05 -0.30296E-05 2842 0.157E-02 9216 T= 6269. E= 0.68118954E+03 F= 0.62933149E+03 E0= 0.65814267E+03 EK= 0.51858E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338383710202E+03 -0.11570E+01 -0.15987E-01 8304 0.244E+01 0.369E-01 RMM: 2 -0.338400986487E+03 -0.17276E-01 -0.83221E-02 5350 0.704E-01 0.137E+00 RMM: 3 -0.338388743155E+03 0.12243E-01 -0.10207E-02 5365 0.238E-01 0.245E-01 RMM: 4 -0.338389387526E+03 -0.64437E-03 -0.17983E-03 4707 0.992E-02 0.401E-01 RMM: 5 -0.338388346566E+03 0.10410E-02 -0.48866E-04 4396 0.551E-02 0.140E-01 RMM: 6 -0.338388221005E+03 0.12556E-03 -0.12713E-04 3863 0.296E-02 0.582E-02 RMM: 7 -0.338388248253E+03 -0.27249E-04 -0.62031E-05 3427 0.214E-02 0.960E-02 RMM: 8 -0.338388190687E+03 0.57567E-04 -0.42891E-05 3050 0.194E-02 0.436E-02 RMM: 9 -0.338388183482E+03 0.72042E-05 -0.19556E-05 2527 0.129E-02 9217 T= 7232. E= 0.68822308E+03 F= 0.62839342E+03 E0= 0.65725055E+03 EK= 0.59830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339410384552E+03 -0.10222E+01 -0.18568E-01 7896 0.258E+01 0.330E-01 RMM: 2 -0.339423229167E+03 -0.12845E-01 -0.10410E-01 5273 0.793E-01 0.944E-01 RMM: 3 -0.339417789614E+03 0.54396E-02 -0.10519E-02 5568 0.212E-01 0.236E-01 RMM: 4 -0.339418301282E+03 -0.51167E-03 -0.14627E-03 4708 0.911E-02 0.393E-01 RMM: 5 -0.339417284503E+03 0.10168E-02 -0.49278E-04 4428 0.570E-02 0.104E-01 RMM: 6 -0.339417215464E+03 0.69039E-04 -0.84830E-05 3621 0.236E-02 0.466E-02 RMM: 7 -0.339417222745E+03 -0.72815E-05 -0.35923E-05 2849 0.172E-02 9218 T= 7955. E= 0.69338561E+03 F= 0.62757726E+03 E0= 0.65648391E+03 EK= 0.65808E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340165988648E+03 -0.74877E+00 -0.19965E-01 7968 0.263E+01 0.324E-01 RMM: 2 -0.340177878591E+03 -0.11890E-01 -0.94655E-02 5258 0.750E-01 0.917E-01 RMM: 3 -0.340172594987E+03 0.52836E-02 -0.97582E-03 5473 0.214E-01 0.223E-01 RMM: 4 -0.340173103739E+03 -0.50875E-03 -0.14224E-03 4709 0.886E-02 0.376E-01 RMM: 5 -0.340172189702E+03 0.91404E-03 -0.46572E-04 4374 0.548E-02 0.110E-01 RMM: 6 -0.340172124179E+03 0.65523E-04 -0.95912E-05 3683 0.254E-02 0.623E-02 RMM: 7 -0.340172146753E+03 -0.22574E-04 -0.72465E-05 3652 0.226E-02 0.932E-02 RMM: 8 -0.340172092422E+03 0.54331E-04 -0.35510E-05 2971 0.184E-02 0.329E-02 RMM: 9 -0.340172095170E+03 -0.27486E-05 -0.15388E-05 2507 0.111E-02 9219 T= 8023. E= 0.69340102E+03 F= 0.62703172E+03 E0= 0.65598977E+03 EK= 0.66369E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340606102793E+03 -0.43401E+00 -0.19867E-01 7872 0.257E+01 0.259E-01 RMM: 2 -0.340615710048E+03 -0.96073E-02 -0.85545E-02 5030 0.706E-01 0.712E-01 RMM: 3 -0.340612454001E+03 0.32560E-02 -0.90141E-03 5688 0.193E-01 0.182E-01 RMM: 4 -0.340612804993E+03 -0.35099E-03 -0.10074E-03 4698 0.779E-02 0.321E-01 RMM: 5 -0.340612147852E+03 0.65714E-03 -0.35518E-04 4182 0.493E-02 0.110E-01 RMM: 6 -0.340612086713E+03 0.61139E-04 -0.12211E-04 3856 0.302E-02 0.621E-02 RMM: 7 -0.340612118949E+03 -0.32235E-04 -0.51657E-05 3262 0.200E-02 0.949E-02 RMM: 8 -0.340612060734E+03 0.58214E-04 -0.28934E-05 2775 0.176E-02 0.237E-02 RMM: 9 -0.340612060517E+03 0.21748E-06 -0.89373E-06 2459 0.824E-03 9220 T= 7393. E= 0.68796381E+03 F= 0.62680641E+03 E0= 0.65581454E+03 EK= 0.61157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340808745417E+03 -0.19668E+00 -0.18127E-01 7716 0.242E+01 0.217E-01 RMM: 2 -0.340817129715E+03 -0.83843E-02 -0.77880E-02 5040 0.671E-01 0.572E-01 RMM: 3 -0.340814854998E+03 0.22747E-02 -0.79316E-03 5758 0.173E-01 0.150E-01 RMM: 4 -0.340814942299E+03 -0.87301E-04 -0.72362E-04 4668 0.704E-02 0.245E-01 RMM: 5 -0.340814573081E+03 0.36922E-03 -0.36596E-04 4413 0.530E-02 0.101E-01 RMM: 6 -0.340814651086E+03 -0.78005E-04 -0.18903E-04 3877 0.357E-02 0.149E-01 RMM: 7 -0.340814541287E+03 0.10980E-03 -0.81403E-05 3600 0.281E-02 0.717E-02 RMM: 8 -0.340814510916E+03 0.30371E-04 -0.18739E-05 2576 0.134E-02 0.265E-02 RMM: 9 -0.340814518202E+03 -0.72862E-05 -0.11590E-05 2469 0.996E-03 9221 T= 6439. E= 0.68009708E+03 F= 0.62683168E+03 E0= 0.65588797E+03 EK= 0.53265E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340907531393E+03 -0.93020E-01 -0.15561E-01 7860 0.226E+01 0.222E-01 RMM: 2 -0.340916285964E+03 -0.87546E-02 -0.69094E-02 5178 0.655E-01 0.726E-01 RMM: 3 -0.340912845274E+03 0.34407E-02 -0.68795E-03 5652 0.169E-01 0.184E-01 RMM: 4 -0.340912695952E+03 0.14932E-03 -0.60866E-04 4604 0.610E-02 0.177E-01 RMM: 5 -0.340912509279E+03 0.18667E-03 -0.47268E-04 4569 0.631E-02 0.117E-01 RMM: 6 -0.340912583347E+03 -0.74068E-04 -0.25398E-04 3907 0.419E-02 0.155E-01 RMM: 7 -0.340912481505E+03 0.10184E-03 -0.10473E-04 3763 0.319E-02 0.937E-02 RMM: 8 -0.340912427537E+03 0.53968E-04 -0.26275E-05 2848 0.156E-02 0.308E-02 RMM: 9 -0.340912432516E+03 -0.49793E-05 -0.12917E-05 2481 0.105E-02 9222 T= 5585. E= 0.67318282E+03 F= 0.62697836E+03 E0= 0.65608181E+03 EK= 0.46204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341017600457E+03 -0.10517E+00 -0.13399E-01 7812 0.213E+01 0.223E-01 RMM: 2 -0.341024599527E+03 -0.69991E-02 -0.57473E-02 5187 0.586E-01 0.646E-01 RMM: 3 -0.341021837332E+03 0.27622E-02 -0.55107E-03 5605 0.150E-01 0.174E-01 RMM: 4 -0.341021836278E+03 0.10540E-05 -0.65733E-04 4595 0.658E-02 0.220E-01 RMM: 5 -0.341021544850E+03 0.29143E-03 -0.57348E-04 4607 0.688E-02 0.111E-01 RMM: 6 -0.341021637655E+03 -0.92805E-04 -0.25230E-04 3898 0.414E-02 0.162E-01 RMM: 7 -0.341021503456E+03 0.13420E-03 -0.11680E-04 3807 0.344E-02 0.763E-02 RMM: 8 -0.341021469340E+03 0.34116E-04 -0.20804E-05 2639 0.140E-02 0.314E-02 RMM: 9 -0.341021475322E+03 -0.59824E-05 -0.11829E-05 2475 0.102E-02 9223 T= 5063. E= 0.66901344E+03 F= 0.62712894E+03 E0= 0.65627901E+03 EK= 0.41885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341200166402E+03 -0.17870E+00 -0.12530E-01 7860 0.208E+01 0.234E-01 RMM: 2 -0.341206336248E+03 -0.61698E-02 -0.46386E-02 5178 0.517E-01 0.681E-01 RMM: 3 -0.341203232022E+03 0.31042E-02 -0.47083E-03 5508 0.143E-01 0.174E-01 RMM: 4 -0.341203446201E+03 -0.21418E-03 -0.82045E-04 4609 0.723E-02 0.272E-01 RMM: 5 -0.341203024595E+03 0.42161E-03 -0.46920E-04 4549 0.605E-02 0.127E-01 RMM: 6 -0.341202977177E+03 0.47419E-04 -0.15870E-04 3883 0.329E-02 0.975E-02 RMM: 7 -0.341202967472E+03 0.97048E-05 -0.76454E-05 3646 0.272E-02 9224 T= 4943. E= 0.66810694E+03 F= 0.62721488E+03 E0= 0.65641198E+03 EK= 0.40892E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341454837586E+03 -0.25186E+00 -0.12853E-01 8064 0.211E+01 0.288E-01 RMM: 2 -0.341460154305E+03 -0.53167E-02 -0.46286E-02 5070 0.516E-01 0.648E-01 RMM: 3 -0.341457564876E+03 0.25894E-02 -0.52632E-03 5441 0.156E-01 0.222E-01 RMM: 4 -0.341458162604E+03 -0.59773E-03 -0.10963E-03 4630 0.813E-02 0.386E-01 RMM: 5 -0.341457214074E+03 0.94853E-03 -0.53271E-04 4523 0.610E-02 0.114E-01 RMM: 6 -0.341457181908E+03 0.32167E-04 -0.13602E-04 3860 0.303E-02 0.938E-02 RMM: 7 -0.341457164099E+03 0.17808E-04 -0.54305E-05 3359 0.227E-02 9225 T= 5234. E= 0.67052459E+03 F= 0.62722587E+03 E0= 0.65647344E+03 EK= 0.43299E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341724868141E+03 -0.26769E+00 -0.14100E-01 8148 0.221E+01 0.270E-01 RMM: 2 -0.341732080034E+03 -0.72119E-02 -0.49929E-02 5134 0.538E-01 0.783E-01 RMM: 3 -0.341728084953E+03 0.39951E-02 -0.57012E-03 5412 0.164E-01 0.213E-01 RMM: 4 -0.341728556732E+03 -0.47178E-03 -0.11346E-03 4642 0.810E-02 0.344E-01 RMM: 5 -0.341727812769E+03 0.74396E-03 -0.38900E-04 4068 0.512E-02 0.110E-01 RMM: 6 -0.341727737099E+03 0.75669E-04 -0.80070E-05 3560 0.250E-02 0.465E-02 RMM: 7 -0.341727763742E+03 -0.26643E-04 -0.35334E-05 2940 0.174E-02 0.801E-02 RMM: 8 -0.341727724793E+03 0.38950E-04 -0.23226E-05 2594 0.156E-02 0.237E-02 RMM: 9 -0.341727728063E+03 -0.32700E-05 -0.10007E-05 2466 0.894E-03 9226 T= 5909. E= 0.67609385E+03 F= 0.62720909E+03 E0= 0.65650891E+03 EK= 0.48885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341901262645E+03 -0.17354E+00 -0.16429E-01 8340 0.237E+01 0.289E-01 RMM: 2 -0.341909337082E+03 -0.80744E-02 -0.67755E-02 5212 0.634E-01 0.757E-01 RMM: 3 -0.341905788261E+03 0.35488E-02 -0.70975E-03 5487 0.176E-01 0.222E-01 RMM: 4 -0.341906294460E+03 -0.50620E-03 -0.10583E-03 4655 0.780E-02 0.369E-01 RMM: 5 -0.341905388013E+03 0.90645E-03 -0.39594E-04 4084 0.511E-02 0.805E-02 RMM: 6 -0.341905346774E+03 0.41239E-04 -0.58233E-05 3328 0.209E-02 0.402E-02 RMM: 7 -0.341905346683E+03 0.91266E-07 -0.24643E-05 2559 0.148E-02 9227 T= 6843. E= 0.68388186E+03 F= 0.62726895E+03 E0= 0.65662313E+03 EK= 0.56613E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341844375472E+03 0.60971E-01 -0.18738E-01 8448 0.253E+01 0.338E-01 RMM: 2 -0.341853919412E+03 -0.95439E-02 -0.80438E-02 5310 0.708E-01 0.856E-01 RMM: 3 -0.341849713426E+03 0.42060E-02 -0.84088E-03 5496 0.199E-01 0.277E-01 RMM: 4 -0.341850245788E+03 -0.53236E-03 -0.14713E-03 4658 0.924E-02 0.419E-01 RMM: 5 -0.341849080854E+03 0.11649E-02 -0.57385E-04 4525 0.618E-02 0.967E-02 RMM: 6 -0.341849036101E+03 0.44753E-04 -0.85028E-05 3620 0.237E-02 0.661E-02 RMM: 7 -0.341849035396E+03 0.70511E-06 -0.55808E-05 3329 0.204E-02 9228 T= 7716. E= 0.69137808E+03 F= 0.62754730E+03 E0= 0.65695705E+03 EK= 0.63831E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341442165395E+03 0.40687E+00 -0.20347E-01 8136 0.263E+01 0.321E-01 RMM: 2 -0.341453354553E+03 -0.11189E-01 -0.87677E-02 5258 0.722E-01 0.909E-01 RMM: 3 -0.341448142193E+03 0.52124E-02 -0.87545E-03 5510 0.198E-01 0.234E-01 RMM: 4 -0.341448674124E+03 -0.53193E-03 -0.14802E-03 4719 0.935E-02 0.387E-01 RMM: 5 -0.341447704119E+03 0.97001E-03 -0.51748E-04 4456 0.588E-02 0.103E-01 RMM: 6 -0.341447642051E+03 0.62067E-04 -0.72290E-05 3506 0.221E-02 0.496E-02 RMM: 7 -0.341447656601E+03 -0.14550E-04 -0.38515E-05 2907 0.180E-02 9229 T= 8076. E= 0.69497511E+03 F= 0.62816120E+03 E0= 0.65762240E+03 EK= 0.66814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340701736967E+03 0.74591E+00 -0.20969E-01 7728 0.262E+01 0.284E-01 RMM: 2 -0.340711912208E+03 -0.10175E-01 -0.76189E-02 5314 0.662E-01 0.868E-01 RMM: 3 -0.340706836973E+03 0.50752E-02 -0.70399E-03 5492 0.183E-01 0.210E-01 RMM: 4 -0.340707233553E+03 -0.39658E-03 -0.10590E-03 4635 0.778E-02 0.335E-01 RMM: 5 -0.340706506636E+03 0.72692E-03 -0.34334E-04 4026 0.478E-02 0.111E-01 RMM: 6 -0.340706444710E+03 0.61926E-04 -0.10567E-04 3715 0.284E-02 0.651E-02 RMM: 7 -0.340706463168E+03 -0.18458E-04 -0.69817E-05 3645 0.227E-02 9230 T= 7698. E= 0.69279583E+03 F= 0.62911412E+03 E0= 0.65862044E+03 EK= 0.63682E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339767464636E+03 0.93898E+00 -0.20111E-01 7704 0.251E+01 0.250E-01 RMM: 2 -0.339778351123E+03 -0.10886E-01 -0.84667E-02 5206 0.705E-01 0.839E-01 RMM: 3 -0.339773730448E+03 0.46207E-02 -0.82642E-03 5777 0.184E-01 0.198E-01 RMM: 4 -0.339773638900E+03 0.91548E-04 -0.79674E-04 4628 0.691E-02 0.222E-01 RMM: 5 -0.339773342587E+03 0.29631E-03 -0.34980E-04 4393 0.523E-02 0.118E-01 RMM: 6 -0.339773338303E+03 0.42838E-05 -0.17029E-04 3879 0.346E-02 9231 T= 6819. E= 0.68667670E+03 F= 0.63026667E+03 E0= 0.65981017E+03 EK= 0.56410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338862251630E+03 0.91109E+00 -0.17881E-01 7572 0.235E+01 0.383E-01 RMM: 2 -0.338903854386E+03 -0.41603E-01 -0.10241E-01 5250 0.795E-01 0.226E+00 RMM: 3 -0.338869468914E+03 0.34385E-01 -0.16185E-02 5345 0.313E-01 0.346E-01 RMM: 4 -0.338868753029E+03 0.71589E-03 -0.18079E-03 4791 0.875E-02 0.169E-01 RMM: 5 -0.338868591911E+03 0.16112E-03 -0.57464E-04 4605 0.699E-02 0.155E-01 RMM: 6 -0.338868573979E+03 0.17932E-04 -0.26528E-04 3932 0.428E-02 0.153E-01 RMM: 7 -0.338868603002E+03 -0.29023E-04 -0.17779E-04 3889 0.369E-02 0.165E-01 RMM: 8 -0.338868431528E+03 0.17147E-03 -0.94302E-05 3621 0.282E-02 0.395E-02 RMM: 9 -0.338868442248E+03 -0.10720E-04 -0.22205E-05 2590 0.136E-02 9232 T= 5894. E= 0.68016252E+03 F= 0.63140406E+03 E0= 0.66097911E+03 EK= 0.48758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338176868931E+03 0.69156E+00 -0.15932E-01 7536 0.220E+01 0.347E-01 RMM: 2 -0.338210936483E+03 -0.34068E-01 -0.94430E-02 5288 0.765E-01 0.201E+00 RMM: 3 -0.338183556134E+03 0.27380E-01 -0.13763E-02 5346 0.288E-01 0.349E-01 RMM: 4 -0.338182740170E+03 0.81596E-03 -0.16727E-03 4764 0.886E-02 0.136E-01 RMM: 5 -0.338182681070E+03 0.59100E-04 -0.41311E-04 4540 0.575E-02 0.157E-01 RMM: 6 -0.338182565267E+03 0.11580E-03 -0.17185E-04 3879 0.360E-02 0.942E-02 RMM: 7 -0.338182649411E+03 -0.84144E-04 -0.12764E-04 3875 0.295E-02 0.148E-01 RMM: 8 -0.338182507909E+03 0.14150E-03 -0.70615E-05 3497 0.252E-02 0.318E-02 RMM: 9 -0.338182505300E+03 0.26087E-05 -0.10948E-05 2487 0.962E-03 9233 T= 5244. E= 0.67571895E+03 F= 0.63233581E+03 E0= 0.66193802E+03 EK= 0.43383E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337825660261E+03 0.35685E+00 -0.14576E-01 7680 0.212E+01 0.302E-01 RMM: 2 -0.337842812935E+03 -0.17153E-01 -0.70746E-02 5293 0.662E-01 0.137E+00 RMM: 3 -0.337830418227E+03 0.12395E-01 -0.82602E-03 5369 0.214E-01 0.277E-01 RMM: 4 -0.337830022944E+03 0.39528E-03 -0.11310E-03 4623 0.766E-02 0.176E-01 RMM: 5 -0.337829918894E+03 0.10405E-03 -0.59883E-04 4608 0.704E-02 0.176E-01 RMM: 6 -0.337829807536E+03 0.11136E-03 -0.24198E-04 3889 0.410E-02 0.123E-01 RMM: 7 -0.337829856954E+03 -0.49419E-04 -0.15331E-04 3880 0.352E-02 0.149E-01 RMM: 8 -0.337829716328E+03 0.14063E-03 -0.76014E-05 3552 0.258E-02 0.391E-02 RMM: 9 -0.337829714776E+03 0.15518E-05 -0.14457E-05 2517 0.111E-02 9234 T= 4997. E= 0.67428219E+03 F= 0.63294257E+03 E0= 0.66257007E+03 EK= 0.41340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337847482787E+03 -0.17766E-01 -0.14368E-01 7908 0.212E+01 0.260E-01 RMM: 2 -0.337858733389E+03 -0.11251E-01 -0.57780E-02 5206 0.584E-01 0.106E+00 RMM: 3 -0.337851305745E+03 0.74276E-02 -0.64676E-03 5398 0.179E-01 0.198E-01 RMM: 4 -0.337851354559E+03 -0.48813E-04 -0.94439E-04 4626 0.724E-02 0.233E-01 RMM: 5 -0.337851059006E+03 0.29555E-03 -0.34159E-04 4172 0.499E-02 0.134E-01 RMM: 6 -0.337850976665E+03 0.82341E-04 -0.13705E-04 3865 0.320E-02 0.771E-02 RMM: 7 -0.337851023861E+03 -0.47195E-04 -0.66835E-05 3464 0.227E-02 0.114E-01 RMM: 8 -0.337850941149E+03 0.82712E-04 -0.38929E-05 3116 0.201E-02 0.239E-02 RMM: 9 -0.337850943404E+03 -0.22554E-05 -0.79052E-06 2471 0.796E-03 9235 T= 5183. E= 0.67605360E+03 F= 0.63317480E+03 E0= 0.66282788E+03 EK= 0.42879E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338226867772E+03 -0.37593E+00 -0.15254E-01 8028 0.221E+01 0.288E-01 RMM: 2 -0.338237496632E+03 -0.10629E-01 -0.58451E-02 5259 0.590E-01 0.104E+00 RMM: 3 -0.338230380654E+03 0.71160E-02 -0.62293E-03 5374 0.179E-01 0.217E-01 RMM: 4 -0.338230635308E+03 -0.25465E-03 -0.12565E-03 4656 0.858E-02 0.300E-01 RMM: 5 -0.338230136617E+03 0.49869E-03 -0.33375E-04 3904 0.462E-02 0.154E-01 RMM: 6 -0.338229985702E+03 0.15092E-03 -0.11268E-04 3821 0.297E-02 0.524E-02 RMM: 7 -0.338230027134E+03 -0.41432E-04 -0.63058E-05 3425 0.218E-02 0.973E-02 RMM: 8 -0.338229968396E+03 0.58738E-04 -0.31479E-05 2959 0.183E-02 0.291E-02 RMM: 9 -0.338229966516E+03 0.18799E-05 -0.91697E-06 2465 0.857E-03 9236 T= 5791. E= 0.68094743E+03 F= 0.63303995E+03 E0= 0.66271906E+03 EK= 0.47907E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338885333323E+03 -0.65536E+00 -0.16839E-01 8172 0.236E+01 0.319E-01 RMM: 2 -0.338896492428E+03 -0.11159E-01 -0.73439E-02 5311 0.673E-01 0.102E+00 RMM: 3 -0.338889937978E+03 0.65545E-02 -0.76312E-03 5402 0.194E-01 0.230E-01 RMM: 4 -0.338890542442E+03 -0.60446E-03 -0.14032E-03 4659 0.912E-02 0.386E-01 RMM: 5 -0.338889577675E+03 0.96477E-03 -0.42525E-04 4012 0.520E-02 0.123E-01 RMM: 6 -0.338889483772E+03 0.93903E-04 -0.93879E-05 3657 0.263E-02 0.493E-02 RMM: 7 -0.338889508627E+03 -0.24855E-04 -0.46054E-05 3132 0.189E-02 0.871E-02 RMM: 8 -0.338889460049E+03 0.48578E-04 -0.32321E-05 2868 0.181E-02 0.249E-02 RMM: 9 -0.338889468584E+03 -0.85350E-05 -0.14609E-05 2501 0.108E-02 9237 T= 6723. E= 0.68822423E+03 F= 0.63260999E+03 E0= 0.66231581E+03 EK= 0.55614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339678400675E+03 -0.78894E+00 -0.19752E-01 8184 0.254E+01 0.344E-01 RMM: 2 -0.339692704392E+03 -0.14304E-01 -0.11490E-01 5254 0.838E-01 0.101E+00 RMM: 3 -0.339686514997E+03 0.61894E-02 -0.11350E-02 5559 0.222E-01 0.255E-01 RMM: 4 -0.339686975507E+03 -0.46051E-03 -0.17403E-03 4798 0.102E-01 0.400E-01 RMM: 5 -0.339685937023E+03 0.10385E-02 -0.56489E-04 4506 0.609E-02 0.119E-01 RMM: 6 -0.339685849062E+03 0.87961E-04 -0.90871E-05 3666 0.241E-02 0.491E-02 RMM: 7 -0.339685853373E+03 -0.43107E-05 -0.34559E-05 2850 0.174E-02 9238 T= 7682. E= 0.69558245E+03 F= 0.63202854E+03 E0= 0.66175894E+03 EK= 0.63554E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340428811222E+03 -0.74296E+00 -0.21369E-01 8532 0.266E+01 0.358E-01 RMM: 2 -0.340443539096E+03 -0.14728E-01 -0.12163E-01 5328 0.859E-01 0.100E+00 RMM: 3 -0.340437554828E+03 0.59843E-02 -0.11866E-02 5590 0.228E-01 0.290E-01 RMM: 4 -0.340437983658E+03 -0.42883E-03 -0.17780E-03 4740 0.102E-01 0.418E-01 RMM: 5 -0.340436799826E+03 0.11838E-02 -0.59158E-04 4573 0.620E-02 0.108E-01 RMM: 6 -0.340436742978E+03 0.56847E-04 -0.94768E-05 3683 0.251E-02 0.656E-02 RMM: 7 -0.340436752742E+03 -0.97637E-05 -0.64542E-05 3488 0.208E-02 9239 T= 8189. E= 0.69922902E+03 F= 0.63148325E+03 E0= 0.66123294E+03 EK= 0.67746E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340992301045E+03 -0.55556E+00 -0.22101E-01 8148 0.267E+01 0.320E-01 RMM: 2 -0.341007041095E+03 -0.14740E-01 -0.12412E-01 5191 0.844E-01 0.916E-01 RMM: 3 -0.341001747334E+03 0.52938E-02 -0.12925E-02 5730 0.222E-01 0.247E-01 RMM: 4 -0.341002135342E+03 -0.38801E-03 -0.16143E-03 4813 0.980E-02 0.386E-01 RMM: 5 -0.341001161507E+03 0.97384E-03 -0.52320E-04 4422 0.576E-02 0.106E-01 RMM: 6 -0.341001104911E+03 0.56596E-04 -0.86710E-05 3596 0.245E-02 0.570E-02 RMM: 7 -0.341001129782E+03 -0.24871E-04 -0.46264E-05 3122 0.185E-02 0.900E-02 RMM: 8 -0.341001082184E+03 0.47598E-04 -0.33438E-05 2795 0.179E-02 0.298E-02 RMM: 9 -0.341001090850E+03 -0.86661E-05 -0.18526E-05 2518 0.122E-02 9240 T= 7918. E= 0.69662301E+03 F= 0.63112385E+03 E0= 0.66088587E+03 EK= 0.65499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341349063067E+03 -0.34798E+00 -0.21245E-01 7944 0.256E+01 0.268E-01 RMM: 2 -0.341364156758E+03 -0.15094E-01 -0.11030E-01 4979 0.780E-01 0.978E-01 RMM: 3 -0.341357552587E+03 0.66042E-02 -0.11682E-02 5644 0.224E-01 0.188E-01 RMM: 4 -0.341357867288E+03 -0.31470E-03 -0.12211E-03 4878 0.850E-02 0.315E-01 RMM: 5 -0.341357232034E+03 0.63525E-03 -0.37110E-04 4201 0.493E-02 0.111E-01 RMM: 6 -0.341357187732E+03 0.44302E-04 -0.13611E-04 3873 0.311E-02 0.815E-02 RMM: 7 -0.341357229426E+03 -0.41693E-04 -0.68969E-05 3521 0.235E-02 0.113E-01 RMM: 8 -0.341357145393E+03 0.84033E-04 -0.36905E-05 3076 0.189E-02 0.226E-02 RMM: 9 -0.341357148793E+03 -0.34007E-05 -0.10956E-05 2469 0.915E-03 9241 T= 7041. E= 0.68923192E+03 F= 0.63098120E+03 E0= 0.66074606E+03 EK= 0.58251E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341588508428E+03 -0.23136E+00 -0.19208E-01 8016 0.239E+01 0.226E-01 RMM: 2 -0.341602107852E+03 -0.13599E-01 -0.10726E-01 4933 0.770E-01 0.820E-01 RMM: 3 -0.341597199672E+03 0.49082E-02 -0.11353E-02 5756 0.215E-01 0.176E-01 RMM: 4 -0.341597092249E+03 0.10742E-03 -0.86783E-04 4744 0.733E-02 0.213E-01 RMM: 5 -0.341596848550E+03 0.24370E-03 -0.43438E-04 4567 0.592E-02 0.121E-01 RMM: 6 -0.341596877231E+03 -0.28681E-04 -0.18701E-04 3885 0.349E-02 0.140E-01 RMM: 7 -0.341596810584E+03 0.66647E-04 -0.98664E-05 3738 0.296E-02 0.969E-02 RMM: 8 -0.341596753206E+03 0.57377E-04 -0.32872E-05 3037 0.175E-02 0.292E-02 RMM: 9 -0.341596761405E+03 -0.81981E-05 -0.14001E-05 2487 0.107E-02 9242 T= 6039. E= 0.68093010E+03 F= 0.63097007E+03 E0= 0.66072969E+03 EK= 0.49960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341839191817E+03 -0.24244E+00 -0.17237E-01 7944 0.222E+01 0.228E-01 RMM: 2 -0.341853944864E+03 -0.14753E-01 -0.11323E-01 5020 0.792E-01 0.877E-01 RMM: 3 -0.341848430930E+03 0.55139E-02 -0.11742E-02 5820 0.209E-01 0.195E-01 RMM: 4 -0.341848139111E+03 0.29182E-03 -0.77487E-04 4690 0.686E-02 0.179E-01 RMM: 5 -0.341847960044E+03 0.17907E-03 -0.48897E-04 4596 0.646E-02 0.123E-01 RMM: 6 -0.341848035369E+03 -0.75325E-04 -0.23677E-04 3898 0.400E-02 0.161E-01 RMM: 7 -0.341847942042E+03 0.93327E-04 -0.10586E-04 3851 0.313E-02 0.107E-01 RMM: 8 -0.341847870579E+03 0.71463E-04 -0.36764E-05 3097 0.180E-02 0.328E-02 RMM: 9 -0.341847877573E+03 -0.69939E-05 -0.14822E-05 2494 0.112E-02 9243 T= 5282. E= 0.67465867E+03 F= 0.63096409E+03 E0= 0.66071168E+03 EK= 0.43695E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342203671356E+03 -0.35580E+00 -0.15212E-01 8052 0.212E+01 0.220E-01 RMM: 2 -0.342214062012E+03 -0.10391E-01 -0.90161E-02 5118 0.688E-01 0.659E-01 RMM: 3 -0.342210698437E+03 0.33636E-02 -0.84652E-03 5869 0.175E-01 0.175E-01 RMM: 4 -0.342210635520E+03 0.62917E-04 -0.78718E-04 4686 0.723E-02 0.226E-01 RMM: 5 -0.342210358131E+03 0.27739E-03 -0.48786E-04 4601 0.627E-02 0.125E-01 RMM: 6 -0.342210386384E+03 -0.28253E-04 -0.20664E-04 3894 0.368E-02 0.142E-01 RMM: 7 -0.342210317155E+03 0.69230E-04 -0.10399E-04 3772 0.315E-02 0.992E-02 RMM: 8 -0.342210257504E+03 0.59651E-04 -0.29537E-05 2985 0.166E-02 0.283E-02 RMM: 9 -0.342210266574E+03 -0.90702E-05 -0.13474E-05 2484 0.106E-02 9244 T= 4920. E= 0.67155868E+03 F= 0.63085918E+03 E0= 0.66058856E+03 EK= 0.40700E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342730307489E+03 -0.52005E+00 -0.13747E-01 8160 0.209E+01 0.235E-01 RMM: 2 -0.342739743192E+03 -0.94357E-02 -0.67686E-02 5104 0.583E-01 0.800E-01 RMM: 3 -0.342735129109E+03 0.46141E-02 -0.65135E-03 5657 0.163E-01 0.162E-01 RMM: 4 -0.342735351402E+03 -0.22229E-03 -0.91514E-04 4623 0.758E-02 0.278E-01 RMM: 5 -0.342734903039E+03 0.44836E-03 -0.41196E-04 4427 0.559E-02 0.119E-01 RMM: 6 -0.342734863729E+03 0.39309E-04 -0.12999E-04 3868 0.301E-02 0.921E-02 RMM: 7 -0.342734859181E+03 0.45489E-05 -0.63113E-05 3472 0.241E-02 9245 T= 4985. E= 0.67183735E+03 F= 0.63059554E+03 E0= 0.66030077E+03 EK= 0.41242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343425073339E+03 -0.69021E+00 -0.14674E-01 8172 0.215E+01 0.277E-01 RMM: 2 -0.343431740043E+03 -0.66667E-02 -0.66092E-02 5122 0.578E-01 0.553E-01 RMM: 3 -0.343429625451E+03 0.21146E-02 -0.64828E-03 5621 0.160E-01 0.240E-01 RMM: 4 -0.343430063013E+03 -0.43756E-03 -0.10613E-03 4662 0.810E-02 0.371E-01 RMM: 5 -0.343429158737E+03 0.90428E-03 -0.47469E-04 4319 0.567E-02 0.910E-02 RMM: 6 -0.343429163417E+03 -0.46800E-05 -0.10229E-04 3722 0.264E-02 9246 T= 5475. E= 0.67544780E+03 F= 0.63015559E+03 E0= 0.65982752E+03 EK= 0.45292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344253952472E+03 -0.82479E+00 -0.15959E-01 8244 0.229E+01 0.348E-01 RMM: 2 -0.344271763683E+03 -0.17811E-01 -0.70942E-02 5229 0.630E-01 0.142E+00 RMM: 3 -0.344258344447E+03 0.13419E-01 -0.10835E-02 5346 0.249E-01 0.265E-01 RMM: 4 -0.344258401290E+03 -0.56843E-04 -0.15899E-03 4696 0.880E-02 0.289E-01 RMM: 5 -0.344257964856E+03 0.43643E-03 -0.36036E-04 3998 0.476E-02 0.162E-01 RMM: 6 -0.344257801904E+03 0.16295E-03 -0.12974E-04 3816 0.324E-02 0.502E-02 RMM: 7 -0.344257822074E+03 -0.20170E-04 -0.35120E-05 2935 0.169E-02 0.777E-02 RMM: 8 -0.344257791077E+03 0.30997E-04 -0.27193E-05 2596 0.161E-02 0.379E-02 RMM: 9 -0.344257786385E+03 0.46924E-05 -0.13220E-05 2486 0.108E-02 9247 T= 6333. E= 0.68196125E+03 F= 0.62956719E+03 E0= 0.65919609E+03 EK= 0.52394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345135101766E+03 -0.87731E+00 -0.18055E-01 8208 0.246E+01 0.393E-01 RMM: 2 -0.345158080814E+03 -0.22979E-01 -0.90939E-02 5303 0.745E-01 0.163E+00 RMM: 3 -0.345140819491E+03 0.17261E-01 -0.12771E-02 5354 0.271E-01 0.357E-01 RMM: 4 -0.345140601543E+03 0.21795E-03 -0.23488E-03 4951 0.110E-01 0.334E-01 RMM: 5 -0.345140017644E+03 0.58390E-03 -0.54532E-04 4559 0.626E-02 0.174E-01 RMM: 6 -0.345139813249E+03 0.20440E-03 -0.11341E-04 3799 0.282E-02 0.409E-02 RMM: 7 -0.345139810376E+03 0.28730E-05 -0.23952E-05 2621 0.140E-02 9248 T= 7351. E= 0.68971774E+03 F= 0.62890913E+03 E0= 0.65848549E+03 EK= 0.60809E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345954919122E+03 -0.81511E+00 -0.20601E-01 8136 0.260E+01 0.339E-01 RMM: 2 -0.345968518827E+03 -0.13600E-01 -0.10353E-01 5221 0.782E-01 0.978E-01 RMM: 3 -0.345962408681E+03 0.61101E-02 -0.10610E-02 5452 0.221E-01 0.248E-01 RMM: 4 -0.345962983826E+03 -0.57515E-03 -0.15972E-03 4771 0.957E-02 0.410E-01 RMM: 5 -0.345961888739E+03 0.10951E-02 -0.53067E-04 4447 0.588E-02 0.111E-01 RMM: 6 -0.345961823514E+03 0.65225E-04 -0.99381E-05 3705 0.253E-02 0.643E-02 RMM: 7 -0.345961835148E+03 -0.11634E-04 -0.54770E-05 3318 0.199E-02 9249 T= 8093. E= 0.69525265E+03 F= 0.62829842E+03 E0= 0.65781508E+03 EK= 0.66954E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346621221494E+03 -0.65940E+00 -0.21848E-01 7992 0.266E+01 0.322E-01 RMM: 2 -0.346634689815E+03 -0.13468E-01 -0.10284E-01 5118 0.785E-01 0.979E-01 RMM: 3 -0.346628643536E+03 0.60463E-02 -0.11012E-02 5488 0.226E-01 0.256E-01 RMM: 4 -0.346629191704E+03 -0.54817E-03 -0.15673E-03 4850 0.934E-02 0.398E-01 RMM: 5 -0.346628207711E+03 0.98399E-03 -0.51192E-04 4468 0.580E-02 0.125E-01 RMM: 6 -0.346628110386E+03 0.97325E-04 -0.10512E-04 3700 0.265E-02 0.466E-02 RMM: 7 -0.346628131693E+03 -0.21307E-04 -0.47201E-05 3182 0.194E-02 0.778E-02 RMM: 8 -0.346628097644E+03 0.34048E-04 -0.28643E-05 2767 0.166E-02 0.281E-02 RMM: 9 -0.346628104859E+03 -0.72150E-05 -0.13889E-05 2495 0.104E-02 9250 T= 8125. E= 0.69505506E+03 F= 0.62783875E+03 E0= 0.65729284E+03 EK= 0.67216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347111467690E+03 -0.48337E+00 -0.21656E-01 7800 0.259E+01 0.253E-01 RMM: 2 -0.347125339364E+03 -0.13872E-01 -0.12053E-01 4803 0.821E-01 0.766E-01 RMM: 3 -0.347121217034E+03 0.41223E-02 -0.13323E-02 5652 0.228E-01 0.184E-01 RMM: 4 -0.347121444735E+03 -0.22770E-03 -0.11867E-03 4939 0.826E-02 0.301E-01 RMM: 5 -0.347120914272E+03 0.53046E-03 -0.34138E-04 4091 0.472E-02 0.128E-01 RMM: 6 -0.347120819437E+03 0.94836E-04 -0.11375E-04 3762 0.290E-02 0.525E-02 RMM: 7 -0.347120853892E+03 -0.34455E-04 -0.50866E-05 3237 0.201E-02 0.913E-02 RMM: 8 -0.347120802454E+03 0.51439E-04 -0.25494E-05 2742 0.168E-02 0.249E-02 RMM: 9 -0.347120801740E+03 0.71346E-06 -0.84203E-06 2458 0.804E-03 9251 T= 7427. E= 0.68899621E+03 F= 0.62755747E+03 E0= 0.65695331E+03 EK= 0.61439E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347496330784E+03 -0.37553E+00 -0.19695E-01 7944 0.243E+01 0.224E-01 RMM: 2 -0.347509214380E+03 -0.12884E-01 -0.11128E-01 4902 0.784E-01 0.737E-01 RMM: 3 -0.347505372157E+03 0.38422E-02 -0.11528E-02 5753 0.205E-01 0.169E-01 RMM: 4 -0.347505302805E+03 0.69353E-04 -0.82301E-04 4728 0.717E-02 0.221E-01 RMM: 5 -0.347505029937E+03 0.27287E-03 -0.44001E-04 4531 0.595E-02 0.121E-01 RMM: 6 -0.347505045303E+03 -0.15367E-04 -0.20689E-04 3882 0.376E-02 0.130E-01 RMM: 7 -0.347504993770E+03 0.51534E-04 -0.81512E-05 3635 0.282E-02 0.939E-02 RMM: 8 -0.347504938833E+03 0.54937E-04 -0.27051E-05 2861 0.160E-02 0.290E-02 RMM: 9 -0.347504943340E+03 -0.45071E-05 -0.11850E-05 2472 0.100E-02 9252 T= 6418. E= 0.68048942E+03 F= 0.62739755E+03 E0= 0.65674425E+03 EK= 0.53092E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347872162286E+03 -0.36722E+00 -0.16020E-01 8136 0.227E+01 0.211E-01 RMM: 2 -0.347881893905E+03 -0.97316E-02 -0.83484E-02 5116 0.701E-01 0.684E-01 RMM: 3 -0.347878782379E+03 0.31115E-02 -0.79226E-03 5725 0.173E-01 0.177E-01 RMM: 4 -0.347878600663E+03 0.18172E-03 -0.61283E-04 4618 0.627E-02 0.171E-01 RMM: 5 -0.347878408726E+03 0.19194E-03 -0.46403E-04 4578 0.627E-02 0.997E-02 RMM: 6 -0.347878570402E+03 -0.16168E-03 -0.22180E-04 3880 0.384E-02 0.183E-01 RMM: 7 -0.347878394156E+03 0.17625E-03 -0.10614E-04 3750 0.317E-02 0.844E-02 RMM: 8 -0.347878352444E+03 0.41712E-04 -0.25097E-05 2823 0.149E-02 0.296E-02 RMM: 9 -0.347878362588E+03 -0.10144E-04 -0.15732E-05 2490 0.117E-02 9253 T= 5541. E= 0.67310481E+03 F= 0.62726486E+03 E0= 0.65657158E+03 EK= 0.45840E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348310148347E+03 -0.43180E+00 -0.14062E-01 8172 0.214E+01 0.215E-01 RMM: 2 -0.348317957902E+03 -0.78096E-02 -0.62136E-02 5201 0.610E-01 0.711E-01 RMM: 3 -0.348314770739E+03 0.31872E-02 -0.56847E-03 5680 0.150E-01 0.174E-01 RMM: 4 -0.348314662532E+03 0.10821E-03 -0.62402E-04 4609 0.648E-02 0.191E-01 RMM: 5 -0.348314456070E+03 0.20646E-03 -0.54647E-04 4593 0.674E-02 0.119E-01 RMM: 6 -0.348314559347E+03 -0.10328E-03 -0.23267E-04 3886 0.395E-02 0.170E-01 RMM: 7 -0.348314410901E+03 0.14845E-03 -0.10654E-04 3807 0.329E-02 0.814E-02 RMM: 8 -0.348314370605E+03 0.40296E-04 -0.23663E-05 2755 0.146E-02 0.288E-02 RMM: 9 -0.348314380678E+03 -0.10073E-04 -0.15284E-05 2488 0.115E-02 9254 T= 5020. E= 0.66861115E+03 F= 0.62708393E+03 E0= 0.65635916E+03 EK= 0.41527E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348833805252E+03 -0.51943E+00 -0.13094E-01 8148 0.209E+01 0.218E-01 RMM: 2 -0.348839229657E+03 -0.54244E-02 -0.49045E-02 5182 0.525E-01 0.561E-01 RMM: 3 -0.348837106339E+03 0.21233E-02 -0.44669E-03 5656 0.132E-01 0.155E-01 RMM: 4 -0.348837304197E+03 -0.19786E-03 -0.77614E-04 4611 0.728E-02 0.267E-01 RMM: 5 -0.348836877599E+03 0.42660E-03 -0.42955E-04 4483 0.573E-02 0.102E-01 RMM: 6 -0.348836905251E+03 -0.27652E-04 -0.14318E-04 3880 0.311E-02 0.123E-01 RMM: 7 -0.348836837634E+03 0.67617E-04 -0.70492E-05 3588 0.264E-02 0.714E-02 RMM: 8 -0.348836807330E+03 0.30303E-04 -0.16565E-05 2559 0.126E-02 0.230E-02 RMM: 9 -0.348836815686E+03 -0.83558E-05 -0.98137E-06 2462 0.899E-03 9255 T= 4912. E= 0.66745999E+03 F= 0.62682343E+03 E0= 0.65607317E+03 EK= 0.40637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349414802268E+03 -0.57799E+00 -0.13557E-01 8472 0.212E+01 0.245E-01 RMM: 2 -0.349419704943E+03 -0.49027E-02 -0.42143E-02 5235 0.484E-01 0.619E-01 RMM: 3 -0.349417262832E+03 0.24421E-02 -0.39742E-03 5570 0.128E-01 0.167E-01 RMM: 4 -0.349417681066E+03 -0.41823E-03 -0.88993E-04 4618 0.753E-02 0.317E-01 RMM: 5 -0.349417037167E+03 0.64390E-03 -0.38429E-04 3994 0.518E-02 0.101E-01 RMM: 6 -0.349417001625E+03 0.35542E-04 -0.89438E-05 3649 0.261E-02 0.724E-02 RMM: 7 -0.349417003078E+03 -0.14536E-05 -0.34155E-05 2959 0.179E-02 9256 T= 5218. E= 0.66967037E+03 F= 0.62650190E+03 E0= 0.65572972E+03 EK= 0.43168E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349970829479E+03 -0.55383E+00 -0.15102E-01 8496 0.222E+01 0.282E-01 RMM: 2 -0.349975182042E+03 -0.43526E-02 -0.44516E-02 5311 0.510E-01 0.566E-01 RMM: 3 -0.349973367916E+03 0.18141E-02 -0.42835E-03 5467 0.140E-01 0.233E-01 RMM: 4 -0.349973850707E+03 -0.48279E-03 -0.95705E-04 4604 0.750E-02 0.371E-01 RMM: 5 -0.349972938472E+03 0.91224E-03 -0.45144E-04 4087 0.548E-02 0.725E-02 RMM: 6 -0.349972945377E+03 -0.69050E-05 -0.69515E-05 3485 0.223E-02 9257 T= 5905. E= 0.67504184E+03 F= 0.62619240E+03 E0= 0.65539937E+03 EK= 0.48849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350366275054E+03 -0.39334E+00 -0.17299E-01 8280 0.238E+01 0.319E-01 RMM: 2 -0.350377195471E+03 -0.10920E-01 -0.62218E-02 5325 0.603E-01 0.106E+00 RMM: 3 -0.350370042695E+03 0.71528E-02 -0.74598E-03 5348 0.200E-01 0.240E-01 RMM: 4 -0.350370574897E+03 -0.53220E-03 -0.13522E-03 4628 0.848E-02 0.374E-01 RMM: 5 -0.350369663941E+03 0.91096E-03 -0.40972E-04 4087 0.523E-02 0.104E-01 RMM: 6 -0.350369599264E+03 0.64677E-04 -0.69162E-05 3470 0.230E-02 0.480E-02 RMM: 7 -0.350369610979E+03 -0.11715E-04 -0.34113E-05 2825 0.173E-02 9258 T= 6840. E= 0.68260843E+03 F= 0.62602539E+03 E0= 0.65521056E+03 EK= 0.56583E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350435895638E+03 -0.66296E-01 -0.19636E-01 8448 0.255E+01 0.367E-01 RMM: 2 -0.350451585659E+03 -0.15690E-01 -0.80052E-02 5345 0.721E-01 0.131E+00 RMM: 3 -0.350440779733E+03 0.10806E-01 -0.95649E-03 5379 0.232E-01 0.324E-01 RMM: 4 -0.350440754897E+03 0.24836E-04 -0.19470E-03 4794 0.104E-01 0.342E-01 RMM: 5 -0.350440036299E+03 0.71860E-03 -0.51442E-04 4439 0.609E-02 0.136E-01 RMM: 6 -0.350439916213E+03 0.12009E-03 -0.85061E-05 3626 0.246E-02 0.426E-02 RMM: 7 -0.350439924246E+03 -0.80332E-05 -0.28047E-05 2663 0.147E-02 9259 T= 7697. E= 0.68984235E+03 F= 0.62616904E+03 E0= 0.65533042E+03 EK= 0.63673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350048242898E+03 0.39167E+00 -0.22196E-01 8112 0.264E+01 0.322E-01 RMM: 2 -0.350062351492E+03 -0.14109E-01 -0.94864E-02 5186 0.752E-01 0.107E+00 RMM: 3 -0.350054754160E+03 0.75973E-02 -0.96151E-03 5422 0.214E-01 0.204E-01 RMM: 4 -0.350055377433E+03 -0.62327E-03 -0.14851E-03 4746 0.914E-02 0.386E-01 RMM: 5 -0.350054434012E+03 0.94342E-03 -0.46532E-04 4425 0.554E-02 0.116E-01 RMM: 6 -0.350054351357E+03 0.82655E-04 -0.93076E-05 3633 0.248E-02 0.500E-02 RMM: 7 -0.350054372931E+03 -0.21574E-04 -0.36485E-05 2937 0.168E-02 0.879E-02 RMM: 8 -0.350054322926E+03 0.50005E-04 -0.31758E-05 2708 0.174E-02 0.245E-02 RMM: 9 -0.350054333013E+03 -0.10086E-04 -0.17540E-05 2517 0.117E-02 9260 T= 8032. E= 0.69320111E+03 F= 0.62675878E+03 E0= 0.65589561E+03 EK= 0.66442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349212391996E+03 0.84193E+00 -0.22153E-01 7788 0.262E+01 0.246E-01 RMM: 2 -0.349220808425E+03 -0.84164E-02 -0.77483E-02 5147 0.672E-01 0.650E-01 RMM: 3 -0.349217982725E+03 0.28257E-02 -0.72352E-03 5508 0.178E-01 0.193E-01 RMM: 4 -0.349218318683E+03 -0.33596E-03 -0.89557E-04 4660 0.730E-02 0.308E-01 RMM: 5 -0.349217687002E+03 0.63168E-03 -0.33573E-04 4046 0.482E-02 0.895E-02 RMM: 6 -0.349217650060E+03 0.36942E-04 -0.77103E-05 3528 0.243E-02 0.597E-02 RMM: 7 -0.349217663382E+03 -0.13322E-04 -0.43628E-05 3031 0.197E-02 9261 T= 7634. E= 0.69094901E+03 F= 0.62779812E+03 E0= 0.65691063E+03 EK= 0.63151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348089124572E+03 0.11285E+01 -0.20091E-01 7464 0.250E+01 0.222E-01 RMM: 2 -0.348098824344E+03 -0.96998E-02 -0.82998E-02 5012 0.701E-01 0.686E-01 RMM: 3 -0.348095543833E+03 0.32805E-02 -0.85135E-03 5668 0.189E-01 0.184E-01 RMM: 4 -0.348095434626E+03 0.10921E-03 -0.63679E-04 4638 0.629E-02 0.185E-01 RMM: 5 -0.348095200396E+03 0.23423E-03 -0.34210E-04 4412 0.522E-02 0.988E-02 RMM: 6 -0.348095295278E+03 -0.94882E-04 -0.21488E-04 3885 0.382E-02 0.156E-01 RMM: 7 -0.348095189197E+03 0.10608E-03 -0.94781E-05 3727 0.296E-02 0.900E-02 RMM: 8 -0.348095140919E+03 0.48278E-04 -0.25600E-05 2775 0.153E-02 0.325E-02 RMM: 9 -0.348095150763E+03 -0.98442E-05 -0.16810E-05 2500 0.116E-02 9262 T= 6752. E= 0.68498957E+03 F= 0.62912965E+03 E0= 0.65822024E+03 EK= 0.55860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346918135430E+03 0.11770E+01 -0.17444E-01 7560 0.233E+01 0.205E-01 RMM: 2 -0.346928878417E+03 -0.10743E-01 -0.87467E-02 5141 0.735E-01 0.751E-01 RMM: 3 -0.346925118046E+03 0.37604E-02 -0.85565E-03 5670 0.189E-01 0.173E-01 RMM: 4 -0.346924898462E+03 0.21958E-03 -0.54140E-04 4623 0.568E-02 0.144E-01 RMM: 5 -0.346924761471E+03 0.13699E-03 -0.24192E-04 4064 0.467E-02 0.101E-01 RMM: 6 -0.346924834032E+03 -0.72561E-04 -0.20140E-04 3892 0.382E-02 0.149E-01 RMM: 7 -0.346924727888E+03 0.10614E-03 -0.96990E-05 3755 0.291E-02 0.826E-02 RMM: 8 -0.346924687216E+03 0.40672E-04 -0.23586E-05 2629 0.148E-02 0.284E-02 RMM: 9 -0.346924691205E+03 -0.39886E-05 -0.13151E-05 2465 0.106E-02 9263 T= 5836. E= 0.67880223E+03 F= 0.63052015E+03 E0= 0.65959224E+03 EK= 0.48282E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345904560975E+03 0.10201E+01 -0.15332E-01 7632 0.218E+01 0.198E-01 RMM: 2 -0.345913475584E+03 -0.89146E-02 -0.75813E-02 5282 0.681E-01 0.660E-01 RMM: 3 -0.345910577375E+03 0.28982E-02 -0.63451E-03 5677 0.158E-01 0.181E-01 RMM: 4 -0.345910345599E+03 0.23178E-03 -0.45012E-04 4558 0.547E-02 0.141E-01 RMM: 5 -0.345910202478E+03 0.14312E-03 -0.31407E-04 4384 0.516E-02 0.107E-01 RMM: 6 -0.345910388902E+03 -0.18642E-03 -0.25702E-04 3910 0.421E-02 0.198E-01 RMM: 7 -0.345910166791E+03 0.22211E-03 -0.12557E-04 3883 0.332E-02 0.823E-02 RMM: 8 -0.345910127006E+03 0.39786E-04 -0.26728E-05 2774 0.152E-02 0.343E-02 RMM: 9 -0.345910137491E+03 -0.10485E-04 -0.23282E-05 2506 0.141E-02 9264 T= 5197. E= 0.67476213E+03 F= 0.63176545E+03 E0= 0.66082254E+03 EK= 0.42997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345169279304E+03 0.74085E+00 -0.14249E-01 7788 0.210E+01 0.202E-01 RMM: 2 -0.345177628043E+03 -0.83487E-02 -0.65023E-02 5239 0.626E-01 0.712E-01 RMM: 3 -0.345174245328E+03 0.33827E-02 -0.60174E-03 5648 0.157E-01 0.173E-01 RMM: 4 -0.345174058916E+03 0.18641E-03 -0.49424E-04 4584 0.550E-02 0.142E-01 RMM: 5 -0.345173936362E+03 0.12255E-03 -0.33060E-04 4426 0.531E-02 0.104E-01 RMM: 6 -0.345174005272E+03 -0.68910E-04 -0.20070E-04 3888 0.374E-02 0.145E-01 RMM: 7 -0.345173912843E+03 0.92428E-04 -0.81810E-05 3624 0.280E-02 0.824E-02 RMM: 8 -0.345173872270E+03 0.40574E-04 -0.20661E-05 2609 0.137E-02 0.285E-02 RMM: 9 -0.345173878711E+03 -0.64407E-05 -0.12820E-05 2468 0.103E-02 9265 T= 4960. E= 0.67376735E+03 F= 0.63273785E+03 E0= 0.66178364E+03 EK= 0.41030E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344759006744E+03 0.41487E+00 -0.13688E-01 7968 0.210E+01 0.214E-01 RMM: 2 -0.344765263386E+03 -0.62566E-02 -0.47790E-02 5285 0.515E-01 0.664E-01 RMM: 3 -0.344762176423E+03 0.30870E-02 -0.39934E-03 5458 0.135E-01 0.154E-01 RMM: 4 -0.344762339160E+03 -0.16274E-03 -0.69931E-04 4613 0.670E-02 0.232E-01 RMM: 5 -0.344762023756E+03 0.31540E-03 -0.27032E-04 3902 0.443E-02 0.114E-01 RMM: 6 -0.344761969569E+03 0.54187E-04 -0.10238E-04 3802 0.283E-02 0.737E-02 RMM: 7 -0.344761980862E+03 -0.11293E-04 -0.50885E-05 3327 0.210E-02 9266 T= 5155. E= 0.67602868E+03 F= 0.63338301E+03 E0= 0.66242027E+03 EK= 0.42646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344656194929E+03 0.10577E+00 -0.14058E-01 8052 0.218E+01 0.248E-01 RMM: 2 -0.344661284587E+03 -0.50897E-02 -0.51054E-02 5314 0.527E-01 0.520E-01 RMM: 3 -0.344659507429E+03 0.17772E-02 -0.45143E-03 5469 0.142E-01 0.188E-01 RMM: 4 -0.344659933364E+03 -0.42594E-03 -0.72825E-04 4597 0.651E-02 0.329E-01 RMM: 5 -0.344659216456E+03 0.71691E-03 -0.32950E-04 3936 0.470E-02 0.723E-02 RMM: 6 -0.344659225617E+03 -0.91617E-05 -0.75957E-05 3534 0.236E-02 9267 T= 5777. E= 0.68149963E+03 F= 0.63370814E+03 E0= 0.66273828E+03 EK= 0.47791E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344786990147E+03 -0.12777E+00 -0.15788E-01 8448 0.233E+01 0.331E-01 RMM: 2 -0.344805246669E+03 -0.18257E-01 -0.75570E-02 5313 0.656E-01 0.143E+00 RMM: 3 -0.344791746461E+03 0.13500E-01 -0.96689E-03 5360 0.233E-01 0.221E-01 RMM: 4 -0.344791928248E+03 -0.18179E-03 -0.14448E-03 4630 0.850E-02 0.289E-01 RMM: 5 -0.344791418808E+03 0.50944E-03 -0.31139E-04 3934 0.451E-02 0.115E-01 RMM: 6 -0.344791335412E+03 0.83396E-04 -0.58493E-05 3348 0.223E-02 0.421E-02 RMM: 7 -0.344791347017E+03 -0.11605E-04 -0.32366E-05 2803 0.166E-02 9268 T= 6732. E= 0.68947345E+03 F= 0.63378291E+03 E0= 0.66280798E+03 EK= 0.55691E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345013432375E+03 -0.22210E+00 -0.18154E-01 8508 0.251E+01 0.340E-01 RMM: 2 -0.345029098954E+03 -0.15667E-01 -0.99503E-02 5360 0.765E-01 0.115E+00 RMM: 3 -0.345020448721E+03 0.86502E-02 -0.10715E-02 5371 0.238E-01 0.309E-01 RMM: 4 -0.345020508162E+03 -0.59441E-04 -0.18431E-03 4718 0.101E-01 0.329E-01 RMM: 5 -0.345019796956E+03 0.71121E-03 -0.49661E-04 4508 0.586E-02 0.120E-01 RMM: 6 -0.345019702806E+03 0.94150E-04 -0.74649E-05 3577 0.223E-02 0.423E-02 RMM: 7 -0.345019697162E+03 0.56438E-05 -0.21690E-05 2557 0.135E-02 9269 T= 7720. E= 0.69760853E+03 F= 0.63374644E+03 E0= 0.66276763E+03 EK= 0.63862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345161768041E+03 -0.14207E+00 -0.20401E-01 8568 0.264E+01 0.354E-01 RMM: 2 -0.345181274277E+03 -0.19506E-01 -0.12836E-01 5289 0.857E-01 0.124E+00 RMM: 3 -0.345171124316E+03 0.10150E-01 -0.12894E-02 5483 0.248E-01 0.237E-01 RMM: 4 -0.345171598097E+03 -0.47378E-03 -0.18077E-03 4785 0.998E-02 0.389E-01 RMM: 5 -0.345170624774E+03 0.97332E-03 -0.53090E-04 4479 0.598E-02 0.121E-01 RMM: 6 -0.345170533830E+03 0.90944E-04 -0.10293E-04 3753 0.256E-02 0.579E-02 RMM: 7 -0.345170539831E+03 -0.60008E-05 -0.48483E-05 3175 0.186E-02 9270 T= 8240. E= 0.70194662E+03 F= 0.63377767E+03 E0= 0.66279740E+03 EK= 0.68169E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345108649484E+03 0.61884E-01 -0.20733E-01 8400 0.265E+01 0.308E-01 RMM: 2 -0.345123575910E+03 -0.14926E-01 -0.11251E-01 5400 0.775E-01 0.986E-01 RMM: 3 -0.345116722512E+03 0.68534E-02 -0.93123E-03 5408 0.213E-01 0.240E-01 RMM: 4 -0.345117089573E+03 -0.36706E-03 -0.14996E-03 4688 0.908E-02 0.344E-01 RMM: 5 -0.345116315192E+03 0.77438E-03 -0.42638E-04 4262 0.525E-02 0.103E-01 RMM: 6 -0.345116253050E+03 0.62142E-04 -0.67765E-05 3480 0.224E-02 0.481E-02 RMM: 7 -0.345116271983E+03 -0.18933E-04 -0.38174E-05 2905 0.171E-02 9271 T= 7952. E= 0.69979445E+03 F= 0.63401227E+03 E0= 0.66303558E+03 EK= 0.65782E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344850654315E+03 0.26560E+00 -0.20577E-01 8004 0.255E+01 0.236E-01 RMM: 2 -0.344866188426E+03 -0.15534E-01 -0.12565E-01 5201 0.786E-01 0.821E-01 RMM: 3 -0.344860467654E+03 0.57208E-02 -0.10676E-02 5518 0.219E-01 0.173E-01 RMM: 4 -0.344860611402E+03 -0.14375E-03 -0.97316E-04 4776 0.723E-02 0.258E-01 RMM: 5 -0.344860194206E+03 0.41720E-03 -0.27882E-04 4020 0.447E-02 0.103E-01 RMM: 6 -0.344860168987E+03 0.25219E-04 -0.13348E-04 3861 0.309E-02 0.887E-02 RMM: 7 -0.344860183041E+03 -0.14054E-04 -0.69441E-05 3514 0.226E-02 9272 T= 7038. E= 0.69267760E+03 F= 0.63445530E+03 E0= 0.66348867E+03 EK= 0.58222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344522653701E+03 0.33752E+00 -0.18293E-01 8580 0.238E+01 0.228E-01 RMM: 2 -0.344537432655E+03 -0.14779E-01 -0.11441E-01 5329 0.765E-01 0.871E-01 RMM: 3 -0.344531629941E+03 0.58027E-02 -0.88807E-03 5731 0.196E-01 0.209E-01 RMM: 4 -0.344531375839E+03 0.25410E-03 -0.70475E-04 4663 0.614E-02 0.164E-01 RMM: 5 -0.344531174900E+03 0.20094E-03 -0.32351E-04 4375 0.519E-02 0.102E-01 RMM: 6 -0.344531314287E+03 -0.13939E-03 -0.24141E-04 3882 0.399E-02 0.181E-01 RMM: 7 -0.344531148549E+03 0.16574E-03 -0.12673E-04 3876 0.324E-02 0.892E-02 RMM: 8 -0.344531101462E+03 0.47087E-04 -0.27928E-05 2787 0.156E-02 0.366E-02 RMM: 9 -0.344531108332E+03 -0.68700E-05 -0.24107E-05 2535 0.136E-02 9273 T= 6002. E= 0.68463736E+03 F= 0.63498377E+03 E0= 0.66403361E+03 EK= 0.49654E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344297798797E+03 0.23330E+00 -0.16265E-01 8916 0.221E+01 0.205E-01 RMM: 2 -0.344311204490E+03 -0.13406E-01 -0.11531E-01 5330 0.797E-01 0.739E-01 RMM: 3 -0.344307275168E+03 0.39293E-02 -0.99576E-03 5905 0.191E-01 0.199E-01 RMM: 4 -0.344306912496E+03 0.36267E-03 -0.58655E-04 4667 0.573E-02 0.147E-01 RMM: 5 -0.344306756559E+03 0.15594E-03 -0.20938E-04 3912 0.421E-02 0.987E-02 RMM: 6 -0.344306858002E+03 -0.10144E-03 -0.18982E-04 3886 0.369E-02 0.165E-01 RMM: 7 -0.344306703248E+03 0.15475E-03 -0.12274E-04 3877 0.318E-02 0.768E-02 RMM: 8 -0.344306670127E+03 0.33122E-04 -0.26469E-05 2640 0.151E-02 0.360E-02 RMM: 9 -0.344306674943E+03 -0.48160E-05 -0.22685E-05 2505 0.138E-02 9274 T= 5230. E= 0.67868911E+03 F= 0.63542130E+03 E0= 0.66449493E+03 EK= 0.43268E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344334736846E+03 -0.28067E-01 -0.14262E-01 8868 0.210E+01 0.230E-01 RMM: 2 -0.344346937704E+03 -0.12201E-01 -0.95432E-02 5398 0.710E-01 0.801E-01 RMM: 3 -0.344342298253E+03 0.46395E-02 -0.81110E-03 5816 0.176E-01 0.197E-01 RMM: 4 -0.344342019070E+03 0.27918E-03 -0.59864E-04 4546 0.571E-02 0.163E-01 RMM: 5 -0.344341836420E+03 0.18265E-03 -0.32592E-04 4337 0.520E-02 0.111E-01 RMM: 6 -0.344341988152E+03 -0.15173E-03 -0.25453E-04 3895 0.412E-02 0.191E-01 RMM: 7 -0.344341813644E+03 0.17451E-03 -0.12998E-04 3862 0.330E-02 0.984E-02 RMM: 8 -0.344341756882E+03 0.56762E-04 -0.35454E-05 3028 0.172E-02 0.406E-02 RMM: 9 -0.344341763739E+03 -0.68567E-05 -0.23893E-05 2537 0.139E-02 9275 T= 4878. E= 0.67595956E+03 F= 0.63560896E+03 E0= 0.66471394E+03 EK= 0.40351E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344726753815E+03 -0.38500E+00 -0.13200E-01 8580 0.208E+01 0.222E-01 RMM: 2 -0.344735989258E+03 -0.92354E-02 -0.70753E-02 5331 0.606E-01 0.741E-01 RMM: 3 -0.344732043237E+03 0.39460E-02 -0.62938E-03 5792 0.159E-01 0.180E-01 RMM: 4 -0.344731954050E+03 0.89187E-04 -0.63066E-04 4573 0.592E-02 0.188E-01 RMM: 5 -0.344731760349E+03 0.19370E-03 -0.27725E-04 4017 0.466E-02 0.113E-01 RMM: 6 -0.344731738602E+03 0.21748E-04 -0.14252E-04 3875 0.327E-02 0.978E-02 RMM: 7 -0.344731735897E+03 0.27048E-05 -0.58900E-05 3424 0.226E-02 9276 T= 4980. E= 0.67663906E+03 F= 0.63544351E+03 E0= 0.66458734E+03 EK= 0.41196E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345492347452E+03 -0.76061E+00 -0.13889E-01 8208 0.215E+01 0.258E-01 RMM: 2 -0.345498909290E+03 -0.65618E-02 -0.60430E-02 5252 0.558E-01 0.597E-01 RMM: 3 -0.345496401808E+03 0.25075E-02 -0.55941E-03 5583 0.155E-01 0.186E-01 RMM: 4 -0.345496820689E+03 -0.41888E-03 -0.83119E-04 4620 0.694E-02 0.330E-01 RMM: 5 -0.345496086316E+03 0.73437E-03 -0.35886E-04 3997 0.489E-02 0.728E-02 RMM: 6 -0.345496118697E+03 -0.32381E-04 -0.10840E-04 3770 0.278E-02 0.104E-01 RMM: 7 -0.345496091338E+03 0.27359E-04 -0.53823E-05 3323 0.210E-02 0.812E-02 RMM: 8 -0.345496050457E+03 0.40881E-04 -0.24396E-05 2723 0.153E-02 0.194E-02 RMM: 9 -0.345496059198E+03 -0.87408E-05 -0.10455E-05 2461 0.903E-03 9277 T= 5534. E= 0.68068077E+03 F= 0.63489677E+03 E0= 0.66408676E+03 EK= 0.45784E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346550506422E+03 -0.10545E+01 -0.16122E-01 8124 0.231E+01 0.258E-01 RMM: 2 -0.346559601958E+03 -0.90955E-02 -0.77193E-02 5268 0.658E-01 0.757E-01 RMM: 3 -0.346555903370E+03 0.36986E-02 -0.72836E-03 5567 0.178E-01 0.183E-01 RMM: 4 -0.346556209307E+03 -0.30594E-03 -0.94501E-04 4633 0.726E-02 0.306E-01 RMM: 5 -0.346555606806E+03 0.60250E-03 -0.30009E-04 3922 0.447E-02 0.918E-02 RMM: 6 -0.346555551641E+03 0.55165E-04 -0.48443E-05 3209 0.203E-02 0.323E-02 RMM: 7 -0.346555552664E+03 -0.10228E-05 -0.20115E-05 2529 0.128E-02 9278 T= 6472. E= 0.68758414E+03 F= 0.63404185E+03 E0= 0.66328656E+03 EK= 0.53542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347709707402E+03 -0.11542E+01 -0.19837E-01 8988 0.250E+01 0.342E-01 RMM: 2 -0.347721428285E+03 -0.11721E-01 -0.11295E-01 5382 0.807E-01 0.779E-01 RMM: 3 -0.347717941104E+03 0.34872E-02 -0.99378E-03 5595 0.207E-01 0.297E-01 RMM: 4 -0.347718191673E+03 -0.25057E-03 -0.13849E-03 4627 0.901E-02 0.403E-01 RMM: 5 -0.347717096471E+03 0.10952E-02 -0.56022E-04 4525 0.614E-02 0.830E-02 RMM: 6 -0.347717060197E+03 0.36274E-04 -0.67830E-05 3474 0.207E-02 0.621E-02 RMM: 7 -0.347717040552E+03 0.19645E-04 -0.53767E-05 3275 0.196E-02 9279 T= 7533. E= 0.69539083E+03 F= 0.63307078E+03 E0= 0.66237723E+03 EK= 0.62320E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348709415451E+03 -0.99236E+00 -0.23282E-01 8928 0.266E+01 0.392E-01 RMM: 2 -0.348728544113E+03 -0.19129E-01 -0.15984E-01 5379 0.961E-01 0.110E+00 RMM: 3 -0.348721211213E+03 0.73329E-02 -0.14900E-02 5567 0.256E-01 0.325E-01 RMM: 4 -0.348721481476E+03 -0.27026E-03 -0.21175E-03 4923 0.110E-01 0.438E-01 RMM: 5 -0.348720229597E+03 0.12519E-02 -0.72375E-04 4563 0.705E-02 0.116E-01 RMM: 6 -0.348720149672E+03 0.79925E-04 -0.89852E-05 3644 0.240E-02 0.573E-02 RMM: 7 -0.348720136502E+03 0.13170E-04 -0.44605E-05 3060 0.184E-02 9280 T= 8217. E= 0.70022623E+03 F= 0.63224791E+03 E0= 0.66161964E+03 EK= 0.67978E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349360607679E+03 -0.64046E+00 -0.24703E-01 8940 0.271E+01 0.347E-01 RMM: 2 -0.349380418345E+03 -0.19811E-01 -0.14802E-01 5350 0.889E-01 0.115E+00 RMM: 3 -0.349371874767E+03 0.85436E-02 -0.13675E-02 5580 0.242E-01 0.270E-01 RMM: 4 -0.349372235965E+03 -0.36120E-03 -0.16984E-03 4747 0.966E-02 0.394E-01 RMM: 5 -0.349371195613E+03 0.10404E-02 -0.50667E-04 4462 0.580E-02 0.115E-01 RMM: 6 -0.349371122094E+03 0.73518E-04 -0.93088E-05 3651 0.243E-02 0.687E-02 RMM: 7 -0.349371126365E+03 -0.42709E-05 -0.10826E-04 3879 0.245E-02 9281 T= 8092. E= 0.69871598E+03 F= 0.63177444E+03 E0= 0.66121122E+03 EK= 0.66942E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349658585591E+03 -0.28746E+00 -0.23160E-01 8244 0.261E+01 0.290E-01 RMM: 2 -0.349676560502E+03 -0.17975E-01 -0.12207E-01 5338 0.752E-01 0.112E+00 RMM: 3 -0.349667308302E+03 0.92522E-02 -0.10254E-02 5474 0.220E-01 0.220E-01 RMM: 4 -0.349667470698E+03 -0.16240E-03 -0.12540E-03 4719 0.804E-02 0.289E-01 RMM: 5 -0.349666979698E+03 0.49100E-03 -0.30540E-04 4020 0.451E-02 0.128E-01 RMM: 6 -0.349666890026E+03 0.89673E-04 -0.10259E-04 3717 0.284E-02 0.624E-02 RMM: 7 -0.349666945831E+03 -0.55805E-04 -0.76909E-05 3594 0.224E-02 0.114E-01 RMM: 8 -0.349666864911E+03 0.80920E-04 -0.41424E-05 3084 0.197E-02 0.282E-02 RMM: 9 -0.349666864028E+03 0.88320E-06 -0.12218E-05 2476 0.976E-03 9282 T= 7244. E= 0.69158892E+03 F= 0.63166198E+03 E0= 0.66115923E+03 EK= 0.59927E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349769383154E+03 -0.10252E+00 -0.21554E-01 8508 0.242E+01 0.246E-01 RMM: 2 -0.349789413876E+03 -0.20031E-01 -0.13691E-01 5316 0.835E-01 0.111E+00 RMM: 3 -0.349780352195E+03 0.90617E-02 -0.11546E-02 5635 0.224E-01 0.208E-01 RMM: 4 -0.349780028317E+03 0.32388E-03 -0.87853E-04 4737 0.646E-02 0.147E-01 RMM: 5 -0.349779867738E+03 0.16058E-03 -0.22545E-04 3982 0.437E-02 0.107E-01 RMM: 6 -0.349779930666E+03 -0.62928E-04 -0.17684E-04 3880 0.355E-02 0.155E-01 RMM: 7 -0.349779867802E+03 0.62865E-04 -0.13457E-04 3880 0.314E-02 0.129E-01 RMM: 8 -0.349779761163E+03 0.10664E-03 -0.61140E-05 3423 0.219E-02 0.395E-02 RMM: 9 -0.349779762966E+03 -0.18028E-05 -0.26176E-05 2570 0.146E-02 9283 T= 6177. E= 0.68284657E+03 F= 0.63174464E+03 E0= 0.66129551E+03 EK= 0.51102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349921107260E+03 -0.14135E+00 -0.18872E-01 8736 0.223E+01 0.223E-01 RMM: 2 -0.349939248188E+03 -0.18141E-01 -0.13214E-01 5392 0.853E-01 0.100E+00 RMM: 3 -0.349932361155E+03 0.68870E-02 -0.10766E-02 5774 0.200E-01 0.223E-01 RMM: 4 -0.349931930779E+03 0.43038E-03 -0.65488E-04 4658 0.597E-02 0.154E-01 RMM: 5 -0.349931771433E+03 0.15935E-03 -0.21101E-04 3901 0.421E-02 0.116E-01 RMM: 6 -0.349931950391E+03 -0.17896E-03 -0.24379E-04 3888 0.405E-02 0.213E-01 RMM: 7 -0.349931693700E+03 0.25669E-03 -0.19508E-04 3899 0.406E-02 0.948E-02 RMM: 8 -0.349931642827E+03 0.50874E-04 -0.49397E-05 3208 0.199E-02 0.422E-02 RMM: 9 -0.349931654786E+03 -0.11959E-04 -0.34843E-05 2582 0.174E-02 9284 T= 5331. E= 0.67590713E+03 F= 0.63180280E+03 E0= 0.66140114E+03 EK= 0.44104E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350280376623E+03 -0.34873E+00 -0.15803E-01 8568 0.210E+01 0.218E-01 RMM: 2 -0.350295455427E+03 -0.15079E-01 -0.10807E-01 5340 0.773E-01 0.949E-01 RMM: 3 -0.350289398516E+03 0.60569E-02 -0.93782E-03 5738 0.189E-01 0.215E-01 RMM: 4 -0.350289011159E+03 0.38736E-03 -0.60897E-04 4686 0.570E-02 0.142E-01 RMM: 5 -0.350288872009E+03 0.13915E-03 -0.23077E-04 3927 0.444E-02 0.115E-01 RMM: 6 -0.350289001436E+03 -0.12943E-03 -0.22439E-04 3911 0.400E-02 0.190E-01 RMM: 7 -0.350288825647E+03 0.17579E-03 -0.14620E-04 3883 0.342E-02 0.101E-01 RMM: 8 -0.350288764120E+03 0.61527E-04 -0.43077E-05 3111 0.192E-02 0.368E-02 RMM: 9 -0.350288774587E+03 -0.10467E-04 -0.29869E-05 2551 0.160E-02 9285 T= 4895. E= 0.67216564E+03 F= 0.63166702E+03 E0= 0.66130997E+03 EK= 0.40499E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350921822929E+03 -0.63306E+00 -0.14196E-01 8400 0.206E+01 0.206E-01 RMM: 2 -0.350932352739E+03 -0.10530E-01 -0.80522E-02 5280 0.624E-01 0.757E-01 RMM: 3 -0.350928137911E+03 0.42148E-02 -0.65618E-03 5755 0.155E-01 0.160E-01 RMM: 4 -0.350928063989E+03 0.73921E-04 -0.63754E-04 4632 0.621E-02 0.189E-01 RMM: 5 -0.350927843854E+03 0.22014E-03 -0.34365E-04 4309 0.523E-02 0.925E-02 RMM: 6 -0.350927915167E+03 -0.71312E-04 -0.16371E-04 3880 0.338E-02 0.137E-01 RMM: 7 -0.350927836733E+03 0.78434E-04 -0.68306E-05 3522 0.252E-02 0.837E-02 RMM: 8 -0.350927794092E+03 0.42641E-04 -0.21833E-05 2669 0.143E-02 0.262E-02 RMM: 9 -0.350927801657E+03 -0.75652E-05 -0.12321E-05 2466 0.100E-02 9286 T= 4910. E= 0.67186848E+03 F= 0.63125311E+03 E0= 0.66094007E+03 EK= 0.40615E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351827986783E+03 -0.90019E+00 -0.15215E-01 8472 0.211E+01 0.221E-01 RMM: 2 -0.351837589930E+03 -0.96031E-02 -0.81411E-02 5213 0.602E-01 0.665E-01 RMM: 3 -0.351834146704E+03 0.34432E-02 -0.62613E-03 5546 0.155E-01 0.144E-01 RMM: 4 -0.351834467167E+03 -0.32046E-03 -0.84624E-04 4654 0.710E-02 0.287E-01 RMM: 5 -0.351833964934E+03 0.50223E-03 -0.29470E-04 3953 0.449E-02 0.974E-02 RMM: 6 -0.351833926196E+03 0.38738E-04 -0.79666E-05 3547 0.247E-02 0.642E-02 RMM: 7 -0.351833947114E+03 -0.20918E-04 -0.44833E-05 3147 0.198E-02 0.849E-02 RMM: 8 -0.351833901806E+03 0.45308E-04 -0.24272E-05 2764 0.162E-02 0.191E-02 RMM: 9 -0.351833905790E+03 -0.39846E-05 -0.82345E-06 2451 0.798E-03 9287 T= 5368. E= 0.67497299E+03 F= 0.63056686E+03 E0= 0.66029816E+03 EK= 0.44406E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352891508197E+03 -0.10576E+01 -0.18990E-01 9060 0.224E+01 0.265E-01 RMM: 2 -0.352903839810E+03 -0.12332E-01 -0.10158E-01 5336 0.665E-01 0.793E-01 RMM: 3 -0.352899068684E+03 0.47711E-02 -0.72295E-03 5558 0.170E-01 0.170E-01 RMM: 4 -0.352899520481E+03 -0.45180E-03 -0.10622E-03 4645 0.776E-02 0.336E-01 RMM: 5 -0.352898809313E+03 0.71117E-03 -0.35998E-04 4029 0.486E-02 0.934E-02 RMM: 6 -0.352898759977E+03 0.49336E-04 -0.58443E-05 3353 0.213E-02 0.467E-02 RMM: 7 -0.352898783784E+03 -0.23807E-04 -0.47265E-05 3150 0.187E-02 0.837E-02 RMM: 8 -0.352898742309E+03 0.41475E-04 -0.32247E-05 2832 0.173E-02 0.240E-02 RMM: 9 -0.352898747298E+03 -0.49897E-05 -0.12944E-05 2474 0.101E-02 9288 T= 6215. E= 0.68112517E+03 F= 0.62970965E+03 E0= 0.65948657E+03 EK= 0.51416E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353908088442E+03 -0.10093E+01 -0.26677E-01 9156 0.241E+01 0.307E-01 RMM: 2 -0.353924867018E+03 -0.16779E-01 -0.15566E-01 5443 0.828E-01 0.791E-01 RMM: 3 -0.353920371527E+03 0.44955E-02 -0.10426E-02 5580 0.205E-01 0.265E-01 RMM: 4 -0.353920706330E+03 -0.33480E-03 -0.14411E-03 4701 0.892E-02 0.380E-01 RMM: 5 -0.353919761090E+03 0.94524E-03 -0.49839E-04 4354 0.567E-02 0.949E-02 RMM: 6 -0.353919713640E+03 0.47450E-04 -0.68794E-05 3477 0.216E-02 0.560E-02 RMM: 7 -0.353919711391E+03 0.22494E-05 -0.50477E-05 3019 0.187E-02 9289 T= 7245. E= 0.68881661E+03 F= 0.62888168E+03 E0= 0.65870469E+03 EK= 0.59935E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354620994043E+03 -0.70128E+00 -0.36928E-01 9108 0.256E+01 0.353E-01 RMM: 2 -0.354646352964E+03 -0.25359E-01 -0.21492E-01 5499 0.959E-01 0.106E+00 RMM: 3 -0.354637993572E+03 0.83594E-02 -0.14524E-02 5567 0.244E-01 0.295E-01 RMM: 4 -0.354638254628E+03 -0.26106E-03 -0.20527E-03 4742 0.104E-01 0.399E-01 RMM: 5 -0.354637188304E+03 0.10663E-02 -0.62831E-04 4547 0.644E-02 0.936E-02 RMM: 6 -0.354637160809E+03 0.27496E-04 -0.79290E-05 3599 0.220E-02 0.781E-02 RMM: 7 -0.354637154503E+03 0.63057E-05 -0.96738E-05 3874 0.235E-02 9290 T= 8020. E= 0.69469377E+03 F= 0.62834531E+03 E0= 0.65821277E+03 EK= 0.66348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354830944262E+03 -0.19378E+00 -0.46704E-01 8904 0.262E+01 0.348E-01 RMM: 2 -0.354863229813E+03 -0.32286E-01 -0.26171E-01 5554 0.100E+00 0.120E+00 RMM: 3 -0.354851209491E+03 0.12020E-01 -0.16211E-02 5450 0.260E-01 0.254E-01 RMM: 4 -0.354851708588E+03 -0.49910E-03 -0.21554E-03 4849 0.104E-01 0.405E-01 RMM: 5 -0.354850697305E+03 0.10113E-02 -0.56759E-04 4539 0.595E-02 0.133E-01 RMM: 6 -0.354850596220E+03 0.10108E-03 -0.11946E-04 3867 0.274E-02 0.624E-02 RMM: 7 -0.354850626617E+03 -0.30397E-04 -0.68454E-05 3461 0.203E-02 0.103E-01 RMM: 8 -0.354850568145E+03 0.58472E-04 -0.73970E-05 3723 0.223E-02 0.383E-02 RMM: 9 -0.354850581444E+03 -0.13299E-04 -0.30578E-05 2876 0.155E-02 9291 T= 8081. E= 0.69516259E+03 F= 0.62830758E+03 E0= 0.65821675E+03 EK= 0.66855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354526858326E+03 0.32371E+00 -0.53137E-01 8664 0.255E+01 0.278E-01 RMM: 2 -0.354555829953E+03 -0.28972E-01 -0.25497E-01 6157 0.945E-01 0.913E-01 RMM: 3 -0.354547579730E+03 0.82502E-02 -0.11785E-02 5438 0.222E-01 0.214E-01 RMM: 4 -0.354547814082E+03 -0.23435E-03 -0.15211E-03 4798 0.852E-02 0.319E-01 RMM: 5 -0.354547183381E+03 0.63070E-03 -0.39364E-04 4170 0.496E-02 0.113E-01 RMM: 6 -0.354547126604E+03 0.56777E-04 -0.10683E-04 3834 0.274E-02 0.739E-02 RMM: 7 -0.354547185599E+03 -0.58994E-04 -0.99141E-05 3857 0.247E-02 0.122E-01 RMM: 8 -0.354547093823E+03 0.91775E-04 -0.63445E-05 3414 0.220E-02 0.367E-02 RMM: 9 -0.354547091783E+03 0.20398E-05 -0.16645E-05 2513 0.117E-02 9292 T= 7387. E= 0.68990071E+03 F= 0.62878925E+03 E0= 0.65873515E+03 EK= 0.61111E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353880859641E+03 0.66623E+00 -0.54330E-01 8448 0.238E+01 0.233E-01 RMM: 2 -0.353908445021E+03 -0.27585E-01 -0.24346E-01 6191 0.939E-01 0.851E-01 RMM: 3 -0.353901226286E+03 0.72187E-02 -0.10496E-02 5536 0.207E-01 0.199E-01 RMM: 4 -0.353901050885E+03 0.17540E-03 -0.10438E-03 4742 0.691E-02 0.186E-01 RMM: 5 -0.353900826424E+03 0.22446E-03 -0.31764E-04 4141 0.491E-02 0.100E-01 RMM: 6 -0.353900910027E+03 -0.83603E-04 -0.16679E-04 3878 0.337E-02 0.152E-01 RMM: 7 -0.353900831275E+03 0.78751E-04 -0.95962E-05 3805 0.273E-02 0.104E-01 RMM: 8 -0.353900766639E+03 0.64636E-04 -0.38729E-05 3111 0.184E-02 0.318E-02 RMM: 9 -0.353900779439E+03 -0.12800E-04 -0.18597E-05 2524 0.121E-02 9293 T= 6360. E= 0.68223461E+03 F= 0.62962265E+03 E0= 0.65960064E+03 EK= 0.52612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353134371880E+03 0.76639E+00 -0.47455E-01 8808 0.220E+01 0.239E-01 RMM: 2 -0.353160928489E+03 -0.26557E-01 -0.22190E-01 5958 0.898E-01 0.953E-01 RMM: 3 -0.353152485114E+03 0.84434E-02 -0.99976E-03 5660 0.201E-01 0.214E-01 RMM: 4 -0.353152187578E+03 0.29754E-03 -0.10032E-03 4728 0.660E-02 0.155E-01 RMM: 5 -0.353152023249E+03 0.16433E-03 -0.31786E-04 4255 0.498E-02 0.106E-01 RMM: 6 -0.353152117488E+03 -0.94239E-04 -0.19028E-04 3883 0.362E-02 0.161E-01 RMM: 7 -0.353152037294E+03 0.80194E-04 -0.10515E-04 3853 0.280E-02 0.117E-01 RMM: 8 -0.353151953472E+03 0.83823E-04 -0.48109E-05 3241 0.201E-02 0.336E-02 RMM: 9 -0.353151964551E+03 -0.11080E-04 -0.19056E-05 2518 0.124E-02 9294 T= 5461. E= 0.67574371E+03 F= 0.63057008E+03 E0= 0.66057550E+03 EK= 0.45174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352478434341E+03 0.67352E+00 -0.37925E-01 8940 0.206E+01 0.211E-01 RMM: 2 -0.352499559295E+03 -0.21125E-01 -0.18602E-01 5854 0.823E-01 0.766E-01 RMM: 3 -0.352493712528E+03 0.58468E-02 -0.89118E-03 5786 0.179E-01 0.187E-01 RMM: 4 -0.352493468204E+03 0.24432E-03 -0.75798E-04 4690 0.597E-02 0.158E-01 RMM: 5 -0.352493289683E+03 0.17852E-03 -0.28652E-04 3963 0.474E-02 0.991E-02 RMM: 6 -0.352493446340E+03 -0.15666E-03 -0.21192E-04 3880 0.378E-02 0.186E-01 RMM: 7 -0.352493282572E+03 0.16377E-03 -0.11827E-04 3879 0.312E-02 0.984E-02 RMM: 8 -0.352493225239E+03 0.57333E-04 -0.36842E-05 3068 0.177E-02 0.326E-02 RMM: 9 -0.352493237187E+03 -0.11948E-04 -0.19756E-05 2521 0.128E-02 9295 T= 4928. E= 0.67220607E+03 F= 0.63143654E+03 E0= 0.66146593E+03 EK= 0.40770E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352020678324E+03 0.47255E+00 -0.29114E-01 8976 0.201E+01 0.209E-01 RMM: 2 -0.352037861552E+03 -0.17183E-01 -0.14723E-01 5827 0.735E-01 0.761E-01 RMM: 3 -0.352032710981E+03 0.51506E-02 -0.71629E-03 5689 0.167E-01 0.171E-01 RMM: 4 -0.352032585035E+03 0.12595E-03 -0.72790E-04 4634 0.602E-02 0.168E-01 RMM: 5 -0.352032409166E+03 0.17587E-03 -0.28425E-04 3910 0.461E-02 0.995E-02 RMM: 6 -0.352032465074E+03 -0.55909E-04 -0.14545E-04 3880 0.322E-02 0.134E-01 RMM: 7 -0.352032409360E+03 0.55714E-04 -0.70413E-05 3540 0.239E-02 0.985E-02 RMM: 8 -0.352032350535E+03 0.58825E-04 -0.34173E-05 3024 0.178E-02 0.275E-02 RMM: 9 -0.352032358083E+03 -0.75482E-05 -0.13457E-05 2477 0.103E-02 9296 T= 4833. E= 0.67208710E+03 F= 0.63210758E+03 E0= 0.66215808E+03 EK= 0.39980E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351790102112E+03 0.24225E+00 -0.23832E-01 9012 0.204E+01 0.216E-01 RMM: 2 -0.351804507939E+03 -0.14406E-01 -0.12337E-01 5824 0.670E-01 0.717E-01 RMM: 3 -0.351799926472E+03 0.45815E-02 -0.60865E-03 5673 0.156E-01 0.159E-01 RMM: 4 -0.351799990094E+03 -0.63622E-04 -0.75928E-04 4637 0.637E-02 0.220E-01 RMM: 5 -0.351799689734E+03 0.30036E-03 -0.25159E-04 3886 0.411E-02 0.923E-02 RMM: 6 -0.351799687979E+03 0.17552E-05 -0.99772E-05 3785 0.270E-02 9297 T= 5189. E= 0.67546835E+03 F= 0.63254436E+03 E0= 0.66261348E+03 EK= 0.42924E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351756282490E+03 0.43407E-01 -0.21853E-01 9036 0.217E+01 0.374E-01 RMM: 2 -0.351790048133E+03 -0.33766E-01 -0.12569E-01 5488 0.714E-01 0.190E+00 RMM: 3 -0.351765500907E+03 0.24547E-01 -0.14033E-02 5351 0.277E-01 0.342E-01 RMM: 4 -0.351764960372E+03 0.54053E-03 -0.19577E-03 4720 0.927E-02 0.216E-01 RMM: 5 -0.351764868418E+03 0.91955E-04 -0.38271E-04 3960 0.470E-02 0.203E-01 RMM: 6 -0.351764620007E+03 0.24841E-03 -0.17075E-04 3884 0.362E-02 0.745E-02 RMM: 7 -0.351764677009E+03 -0.57003E-04 -0.11024E-04 3860 0.277E-02 0.118E-01 RMM: 8 -0.351764601320E+03 0.75689E-04 -0.54345E-05 3286 0.213E-02 0.524E-02 RMM: 9 -0.351764588055E+03 0.13265E-04 -0.19300E-05 2552 0.130E-02 9298 T= 5979. E= 0.68223441E+03 F= 0.63277059E+03 E0= 0.66285501E+03 EK= 0.49464E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351829252838E+03 -0.64652E-01 -0.23170E-01 9012 0.237E+01 0.382E-01 RMM: 2 -0.351864351703E+03 -0.35099E-01 -0.15045E-01 5301 0.825E-01 0.188E+00 RMM: 3 -0.351840411460E+03 0.23940E-01 -0.16348E-02 5367 0.295E-01 0.402E-01 RMM: 4 -0.351839492452E+03 0.91901E-03 -0.24990E-03 4974 0.109E-01 0.206E-01 RMM: 5 -0.351839417012E+03 0.75440E-04 -0.40015E-04 4012 0.490E-02 0.190E-01 RMM: 6 -0.351839179568E+03 0.23744E-03 -0.11867E-04 3849 0.301E-02 0.408E-02 RMM: 7 -0.351839183056E+03 -0.34876E-05 -0.28515E-05 2757 0.147E-02 9299 T= 7066. E= 0.69132879E+03 F= 0.63287130E+03 E0= 0.66296687E+03 EK= 0.58457E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351890134393E+03 -0.50955E-01 -0.25312E-01 9036 0.256E+01 0.353E-01 RMM: 2 -0.351921748543E+03 -0.31614E-01 -0.16294E-01 5389 0.851E-01 0.168E+00 RMM: 3 -0.351902047491E+03 0.19701E-01 -0.14553E-02 5427 0.263E-01 0.259E-01 RMM: 4 -0.351902146789E+03 -0.99298E-04 -0.21384E-03 4761 0.102E-01 0.317E-01 RMM: 5 -0.351901539529E+03 0.60726E-03 -0.46428E-04 4310 0.537E-02 0.137E-01 RMM: 6 -0.351901431520E+03 0.10801E-03 -0.11011E-04 3789 0.268E-02 0.692E-02 RMM: 7 -0.351901475440E+03 -0.43920E-04 -0.95872E-05 3800 0.242E-02 0.118E-01 RMM: 8 -0.351901388244E+03 0.87196E-04 -0.71772E-05 3571 0.235E-02 0.418E-02 RMM: 9 -0.351901392154E+03 -0.39104E-05 -0.24463E-05 2629 0.144E-02 9300 T= 8057. E= 0.69962265E+03 F= 0.63297063E+03 E0= 0.66307185E+03 EK= 0.66652E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351866522154E+03 0.34866E-01 -0.27808E-01 9012 0.267E+01 0.308E-01 RMM: 2 -0.351887892687E+03 -0.21371E-01 -0.17649E-01 5328 0.902E-01 0.100E+00 RMM: 3 -0.351880071469E+03 0.78212E-02 -0.14707E-02 5719 0.242E-01 0.256E-01 RMM: 4 -0.351880022964E+03 0.48505E-04 -0.16233E-03 4743 0.910E-02 0.292E-01 RMM: 5 -0.351879505349E+03 0.51761E-03 -0.39188E-04 4077 0.487E-02 0.137E-01 RMM: 6 -0.351879393211E+03 0.11214E-03 -0.92359E-05 3652 0.266E-02 0.540E-02 RMM: 7 -0.351879428266E+03 -0.35055E-04 -0.58718E-05 3349 0.204E-02 0.974E-02 RMM: 8 -0.351879367496E+03 0.60771E-04 -0.48310E-05 2980 0.195E-02 0.293E-02 RMM: 9 -0.351879375384E+03 -0.78883E-05 -0.22141E-05 2528 0.134E-02 9301 T= 8400. E= 0.70263807E+03 F= 0.63314638E+03 E0= 0.66324776E+03 EK= 0.69492E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351847260345E+03 0.32107E-01 -0.27048E-01 8808 0.264E+01 0.300E-01 RMM: 2 -0.351873752907E+03 -0.26493E-01 -0.16884E-01 5363 0.897E-01 0.133E+00 RMM: 3 -0.351860574084E+03 0.13179E-01 -0.13968E-02 5503 0.247E-01 0.287E-01 RMM: 4 -0.351860089741E+03 0.48434E-03 -0.15378E-03 4748 0.866E-02 0.176E-01 RMM: 5 -0.351859992271E+03 0.97469E-04 -0.29513E-04 3910 0.429E-02 0.152E-01 RMM: 6 -0.351859862316E+03 0.12996E-03 -0.11188E-04 3810 0.296E-02 0.762E-02 RMM: 7 -0.351859956992E+03 -0.94676E-04 -0.12617E-04 3877 0.291E-02 0.144E-01 RMM: 8 -0.351859832996E+03 0.12400E-03 -0.72404E-05 3519 0.248E-02 0.444E-02 RMM: 9 -0.351859825533E+03 0.74631E-05 -0.16004E-05 2518 0.115E-02 9302 T= 7874. E= 0.69846080E+03 F= 0.63331966E+03 E0= 0.66341674E+03 EK= 0.65141E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352048658015E+03 -0.18883E+00 -0.22948E-01 8568 0.249E+01 0.313E-01 RMM: 2 -0.352075128568E+03 -0.26471E-01 -0.15375E-01 5273 0.909E-01 0.143E+00 RMM: 3 -0.352060922294E+03 0.14206E-01 -0.14982E-02 5497 0.265E-01 0.331E-01 RMM: 4 -0.352060152276E+03 0.77002E-03 -0.15377E-03 4757 0.848E-02 0.143E-01 RMM: 5 -0.352060086314E+03 0.65963E-04 -0.31615E-04 4093 0.470E-02 0.141E-01 RMM: 6 -0.352059990205E+03 0.96108E-04 -0.14101E-04 3878 0.329E-02 0.851E-02 RMM: 7 -0.352060100387E+03 -0.11018E-03 -0.12484E-04 3887 0.296E-02 0.153E-01 RMM: 8 -0.352059955020E+03 0.14537E-03 -0.67210E-05 3504 0.244E-02 0.433E-02 RMM: 9 -0.352059953109E+03 0.19104E-05 -0.18194E-05 2532 0.122E-02 9303 T= 6843. E= 0.68989199E+03 F= 0.63328051E+03 E0= 0.66337144E+03 EK= 0.56611E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352643540018E+03 -0.58358E+00 -0.18701E-01 8088 0.231E+01 0.247E-01 RMM: 2 -0.352663740426E+03 -0.20200E-01 -0.12463E-01 5231 0.817E-01 0.120E+00 RMM: 3 -0.352653671654E+03 0.10069E-01 -0.11196E-02 5541 0.222E-01 0.231E-01 RMM: 4 -0.352653292777E+03 0.37888E-03 -0.96805E-04 4649 0.694E-02 0.138E-01 RMM: 5 -0.352653189164E+03 0.10361E-03 -0.24457E-04 3973 0.444E-02 0.113E-01 RMM: 6 -0.352653184124E+03 0.50397E-05 -0.14477E-04 3878 0.326E-02 9304 T= 5847. E= 0.68123286E+03 F= 0.63285987E+03 E0= 0.66294316E+03 EK= 0.48373E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353657789638E+03 -0.10046E+01 -0.17485E-01 8832 0.217E+01 0.455E-01 RMM: 2 -0.353702998613E+03 -0.45209E-01 -0.11261E-01 5316 0.774E-01 0.235E+00 RMM: 3 -0.353665091849E+03 0.37907E-01 -0.20688E-02 5348 0.354E-01 0.424E-01 RMM: 4 -0.353663934319E+03 0.11575E-02 -0.23388E-03 4891 0.989E-02 0.164E-01 RMM: 5 -0.353664043982E+03 -0.10966E-03 -0.54740E-04 4592 0.593E-02 0.231E-01 RMM: 6 -0.353663755896E+03 0.28809E-03 -0.32109E-04 4005 0.487E-02 0.102E-01 RMM: 7 -0.353663855248E+03 -0.99351E-04 -0.16928E-04 3884 0.349E-02 0.156E-01 RMM: 8 -0.353663734413E+03 0.12084E-03 -0.91842E-05 3783 0.289E-02 0.753E-02 RMM: 9 -0.353663706762E+03 0.27651E-04 -0.26216E-05 2847 0.152E-02 0.356E-02 RMM: 10 -0.353663727182E+03 -0.20420E-04 -0.16471E-05 2535 0.117E-02 0.554E-02 RMM: 11 -0.353663712440E+03 0.14742E-04 -0.11491E-05 2481 0.107E-02 9305 T= 5197. E= 0.67502533E+03 F= 0.63203366E+03 E0= 0.66210710E+03 EK= 0.42992E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354998958463E+03 -0.13352E+01 -0.19246E-01 8988 0.209E+01 0.309E-01 RMM: 2 -0.355026215337E+03 -0.27257E-01 -0.11392E-01 5444 0.702E-01 0.164E+00 RMM: 3 -0.355007467924E+03 0.18747E-01 -0.11287E-02 5345 0.252E-01 0.315E-01 RMM: 4 -0.355006913079E+03 0.55484E-03 -0.15407E-03 4680 0.828E-02 0.167E-01 RMM: 5 -0.355006841538E+03 0.71541E-04 -0.31892E-04 4175 0.485E-02 0.150E-01 RMM: 6 -0.355006713451E+03 0.12809E-03 -0.13345E-04 3874 0.318E-02 0.653E-02 RMM: 7 -0.355006774804E+03 -0.61352E-04 -0.70015E-05 3507 0.223E-02 0.117E-01 RMM: 8 -0.355006695079E+03 0.79725E-04 -0.45034E-05 3148 0.209E-02 0.425E-02 RMM: 9 -0.355006685947E+03 0.91315E-05 -0.13401E-05 2483 0.109E-02 9306 T= 4973. E= 0.67202459E+03 F= 0.63088241E+03 E0= 0.66094430E+03 EK= 0.41142E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356554100091E+03 -0.15474E+01 -0.23265E-01 9120 0.210E+01 0.365E-01 RMM: 2 -0.356582036042E+03 -0.27936E-01 -0.14003E-01 5555 0.774E-01 0.157E+00 RMM: 3 -0.356564364909E+03 0.17671E-01 -0.12766E-02 5357 0.251E-01 0.310E-01 RMM: 4 -0.356564177420E+03 0.18749E-03 -0.20032E-03 4743 0.982E-02 0.280E-01 RMM: 5 -0.356563831958E+03 0.34546E-03 -0.39481E-04 4026 0.482E-02 0.191E-01 RMM: 6 -0.356563610584E+03 0.22137E-03 -0.14155E-04 3870 0.336E-02 0.670E-02 RMM: 7 -0.356563671333E+03 -0.60749E-04 -0.95228E-05 3717 0.256E-02 0.120E-01 RMM: 8 -0.356563594461E+03 0.76872E-04 -0.74172E-05 3553 0.226E-02 0.507E-02 RMM: 9 -0.356563584989E+03 0.94715E-05 -0.22960E-05 2621 0.142E-02 9307 T= 5167. E= 0.67226495E+03 F= 0.62951772E+03 E0= 0.65956246E+03 EK= 0.42747E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358198207397E+03 -0.16346E+01 -0.30357E-01 9132 0.218E+01 0.332E-01 RMM: 2 -0.358223385420E+03 -0.25178E-01 -0.18459E-01 5575 0.872E-01 0.121E+00 RMM: 3 -0.358212569890E+03 0.10816E-01 -0.13218E-02 5408 0.242E-01 0.263E-01 RMM: 4 -0.358212756430E+03 -0.18654E-03 -0.17618E-03 4684 0.934E-02 0.328E-01 RMM: 5 -0.358212092812E+03 0.66362E-03 -0.39638E-04 4019 0.478E-02 0.139E-01 RMM: 6 -0.358211985064E+03 0.10775E-03 -0.10597E-04 3735 0.283E-02 0.637E-02 RMM: 7 -0.358212019111E+03 -0.34048E-04 -0.77665E-05 3628 0.227E-02 0.105E-01 RMM: 8 -0.358211957575E+03 0.61536E-04 -0.75386E-05 3627 0.212E-02 0.393E-02 RMM: 9 -0.358211968214E+03 -0.10639E-04 -0.30410E-05 2818 0.157E-02 9308 T= 5738. E= 0.67552508E+03 F= 0.62805513E+03 E0= 0.65807574E+03 EK= 0.47470E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359784624379E+03 -0.15727E+01 -0.42321E-01 9108 0.231E+01 0.347E-01 RMM: 2 -0.359816136533E+03 -0.31512E-01 -0.24772E-01 5480 0.102E+00 0.125E+00 RMM: 3 -0.359804397231E+03 0.11739E-01 -0.17593E-02 5590 0.261E-01 0.257E-01 RMM: 4 -0.359804603133E+03 -0.20590E-03 -0.20861E-03 4806 0.105E-01 0.369E-01 RMM: 5 -0.359803735374E+03 0.86776E-03 -0.55604E-04 4515 0.590E-02 0.123E-01 RMM: 6 -0.359803653634E+03 0.81740E-04 -0.87238E-05 3673 0.228E-02 0.694E-02 RMM: 7 -0.359803644823E+03 0.88113E-05 -0.72581E-05 3594 0.219E-02 9309 T= 6573. E= 0.68101658E+03 F= 0.62663856E+03 E0= 0.65662530E+03 EK= 0.54378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361119622356E+03 -0.13160E+01 -0.57506E-01 9036 0.246E+01 0.333E-01 RMM: 2 -0.361152284422E+03 -0.32662E-01 -0.29598E-01 5634 0.106E+00 0.975E-01 RMM: 3 -0.361143247902E+03 0.90365E-02 -0.16386E-02 5541 0.256E-01 0.291E-01 RMM: 4 -0.361143340492E+03 -0.92590E-04 -0.19907E-03 4721 0.988E-02 0.352E-01 RMM: 5 -0.361142477880E+03 0.86261E-03 -0.55333E-04 4498 0.581E-02 0.964E-02 RMM: 6 -0.361142469871E+03 0.80094E-05 -0.10421E-04 3808 0.250E-02 9310 T= 7404. E= 0.68671760E+03 F= 0.62546376E+03 E0= 0.65540875E+03 EK= 0.61254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361989850951E+03 -0.84737E+00 -0.74126E-01 8916 0.257E+01 0.430E-01 RMM: 2 -0.362045413803E+03 -0.55563E-01 -0.34192E-01 5697 0.112E+00 0.196E+00 RMM: 3 -0.362016522924E+03 0.28891E-01 -0.22590E-02 5356 0.332E-01 0.377E-01 RMM: 4 -0.362016228886E+03 0.29404E-03 -0.33947E-03 5316 0.122E-01 0.330E-01 RMM: 5 -0.362015563192E+03 0.66569E-03 -0.59399E-04 4470 0.571E-02 0.158E-01 RMM: 6 -0.362015435499E+03 0.12769E-03 -0.14768E-04 3878 0.304E-02 0.838E-02 RMM: 7 -0.362015496691E+03 -0.61191E-04 -0.12301E-04 3878 0.282E-02 0.133E-01 RMM: 8 -0.362015404297E+03 0.92394E-04 -0.11050E-04 3876 0.250E-02 0.588E-02 RMM: 9 -0.362015414055E+03 -0.97578E-05 -0.53102E-05 3306 0.193E-02 9311 T= 7836. E= 0.68956796E+03 F= 0.62474698E+03 E0= 0.65464386E+03 EK= 0.64821E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362259490205E+03 -0.24409E+00 -0.85899E-01 8640 0.258E+01 0.418E-01 RMM: 2 -0.362315225745E+03 -0.55736E-01 -0.32632E-01 5997 0.106E+00 0.199E+00 RMM: 3 -0.362285321787E+03 0.29904E-01 -0.18524E-02 5352 0.307E-01 0.300E-01 RMM: 4 -0.362285463216E+03 -0.14143E-03 -0.30328E-03 5284 0.118E-01 0.363E-01 RMM: 5 -0.362284813988E+03 0.64923E-03 -0.61944E-04 4584 0.622E-02 0.189E-01 RMM: 6 -0.362284594748E+03 0.21924E-03 -0.16748E-04 3878 0.330E-02 0.638E-02 RMM: 7 -0.362284676954E+03 -0.82206E-04 -0.11054E-04 3858 0.269E-02 0.123E-01 RMM: 8 -0.362284596562E+03 0.80392E-04 -0.62602E-05 3437 0.220E-02 0.446E-02 RMM: 9 -0.362284597054E+03 -0.49223E-06 -0.21869E-05 2566 0.134E-02 9312 T= 7610. E= 0.68758951E+03 F= 0.62463150E+03 E0= 0.65447728E+03 EK= 0.62958E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361947970943E+03 0.33663E+00 -0.92036E-01 8532 0.250E+01 0.300E-01 RMM: 2 -0.361991928640E+03 -0.43958E-01 -0.31390E-01 6223 0.108E+00 0.147E+00 RMM: 3 -0.361974692093E+03 0.17237E-01 -0.14966E-02 5373 0.276E-01 0.250E-01 RMM: 4 -0.361974433352E+03 0.25874E-03 -0.16546E-03 4951 0.818E-02 0.184E-01 RMM: 5 -0.361974266228E+03 0.16712E-03 -0.30091E-04 4081 0.451E-02 0.138E-01 RMM: 6 -0.361974206392E+03 0.59836E-04 -0.15592E-04 3880 0.336E-02 0.102E-01 RMM: 7 -0.361974258043E+03 -0.51651E-04 -0.12308E-04 3875 0.291E-02 0.133E-01 RMM: 8 -0.361974149635E+03 0.10841E-03 -0.63902E-05 3444 0.231E-02 0.361E-02 RMM: 9 -0.361974161647E+03 -0.12012E-04 -0.21923E-05 2557 0.135E-02 9313 T= 6865. E= 0.68189054E+03 F= 0.62509857E+03 E0= 0.65489563E+03 EK= 0.56792E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361252391958E+03 0.72176E+00 -0.84476E-01 8892 0.236E+01 0.300E-01 RMM: 2 -0.361295326941E+03 -0.42935E-01 -0.35883E-01 5509 0.124E+00 0.122E+00 RMM: 3 -0.361282631471E+03 0.12695E-01 -0.23187E-02 5690 0.300E-01 0.263E-01 RMM: 4 -0.361282063737E+03 0.56773E-03 -0.17133E-03 4991 0.846E-02 0.182E-01 RMM: 5 -0.361281858702E+03 0.20503E-03 -0.34348E-04 4207 0.501E-02 0.129E-01 RMM: 6 -0.361281889389E+03 -0.30687E-04 -0.20050E-04 3882 0.367E-02 0.158E-01 RMM: 7 -0.361281831180E+03 0.58209E-04 -0.19781E-04 3882 0.383E-02 0.131E-01 RMM: 8 -0.361281729182E+03 0.10200E-03 -0.79569E-05 3610 0.249E-02 0.478E-02 RMM: 9 -0.361281751125E+03 -0.21943E-04 -0.41706E-05 3006 0.182E-02 0.716E-02 RMM: 10 -0.361281730009E+03 0.21115E-04 -0.29850E-05 2596 0.173E-02 0.282E-02 RMM: 11 -0.361281728522E+03 0.14870E-05 -0.87393E-06 2444 0.896E-03 9314 T= 5992. E= 0.67552132E+03 F= 0.62595396E+03 E0= 0.65570769E+03 EK= 0.49567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360473457390E+03 0.80827E+00 -0.65982E-01 8868 0.221E+01 0.338E-01 RMM: 2 -0.360519705755E+03 -0.46248E-01 -0.34890E-01 5332 0.131E+00 0.147E+00 RMM: 3 -0.360503902561E+03 0.15803E-01 -0.26108E-02 5658 0.328E-01 0.363E-01 RMM: 4 -0.360502848295E+03 0.10543E-02 -0.21233E-03 4993 0.989E-02 0.189E-01 RMM: 5 -0.360502603722E+03 0.24457E-03 -0.37757E-04 4231 0.499E-02 0.138E-01 RMM: 6 -0.360502599614E+03 0.41083E-05 -0.16526E-04 3879 0.337E-02 9315 T= 5325. E= 0.67095160E+03 F= 0.62690237E+03 E0= 0.65662417E+03 EK= 0.44049E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359910687924E+03 0.59192E+00 -0.41026E-01 8928 0.211E+01 0.508E-01 RMM: 2 -0.359977607516E+03 -0.66920E-01 -0.26502E-01 5322 0.114E+00 0.263E+00 RMM: 3 -0.359930819885E+03 0.46788E-01 -0.30769E-02 5350 0.415E-01 0.463E-01 RMM: 4 -0.359929482265E+03 0.13376E-02 -0.34251E-03 5412 0.113E-01 0.198E-01 RMM: 5 -0.359929554874E+03 -0.72609E-04 -0.71009E-04 4600 0.663E-02 0.256E-01 RMM: 6 -0.359929201657E+03 0.35322E-03 -0.39070E-04 3979 0.498E-02 0.119E-01 RMM: 7 -0.359929510215E+03 -0.30856E-03 -0.31324E-04 3908 0.457E-02 0.240E-01 RMM: 8 -0.359929159476E+03 0.35074E-03 -0.17185E-04 3884 0.378E-02 0.641E-02 RMM: 9 -0.359929163452E+03 -0.39759E-05 -0.47807E-05 3227 0.188E-02 9316 T= 5029. E= 0.66925544E+03 F= 0.62764806E+03 E0= 0.65733983E+03 EK= 0.41607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359756962029E+03 0.17220E+00 -0.25990E-01 8928 0.208E+01 0.552E-01 RMM: 2 -0.359829426433E+03 -0.72464E-01 -0.22199E-01 5017 0.109E+00 0.286E+00 RMM: 3 -0.359773801453E+03 0.55625E-01 -0.34466E-02 5359 0.444E-01 0.620E-01 RMM: 4 -0.359771111950E+03 0.26895E-02 -0.45613E-03 5330 0.145E-01 0.190E-01 RMM: 5 -0.359771119108E+03 -0.71575E-05 -0.72383E-04 4579 0.631E-02 0.220E-01 RMM: 6 -0.359770797158E+03 0.32195E-03 -0.22308E-04 3880 0.401E-02 0.628E-02 RMM: 7 -0.359770883554E+03 -0.86396E-04 -0.13845E-04 3876 0.296E-02 0.133E-01 RMM: 8 -0.359770778634E+03 0.10492E-03 -0.77551E-05 3618 0.260E-02 0.437E-02 RMM: 9 -0.359770774147E+03 0.44870E-05 -0.15789E-05 2525 0.117E-02 9317 T= 5164. E= 0.67069848E+03 F= 0.62797582E+03 E0= 0.65764834E+03 EK= 0.42723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360085798880E+03 -0.31502E+00 -0.19049E-01 8592 0.214E+01 0.332E-01 RMM: 2 -0.360116311621E+03 -0.30513E-01 -0.14593E-01 5054 0.821E-01 0.166E+00 RMM: 3 -0.360097244554E+03 0.19067E-01 -0.15505E-02 5381 0.282E-01 0.318E-01 RMM: 4 -0.360096730571E+03 0.51398E-03 -0.19646E-03 4897 0.931E-02 0.185E-01 RMM: 5 -0.360096673240E+03 0.57331E-04 -0.32340E-04 3912 0.418E-02 0.173E-01 RMM: 6 -0.360096482604E+03 0.19064E-03 -0.11452E-04 3800 0.292E-02 0.586E-02 RMM: 7 -0.360096558953E+03 -0.76350E-04 -0.11322E-04 3853 0.270E-02 0.122E-01 RMM: 8 -0.360096477527E+03 0.81426E-04 -0.59949E-05 3378 0.226E-02 0.517E-02 RMM: 9 -0.360096462895E+03 0.14632E-04 -0.16278E-05 2510 0.119E-02 9318 T= 5732. E= 0.67523000E+03 F= 0.62781101E+03 E0= 0.65747218E+03 EK= 0.47419E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360800082544E+03 -0.70361E+00 -0.21344E-01 9096 0.229E+01 0.289E-01 RMM: 2 -0.360820673077E+03 -0.20591E-01 -0.14222E-01 5409 0.803E-01 0.114E+00 RMM: 3 -0.360811260424E+03 0.94127E-02 -0.11535E-02 5430 0.230E-01 0.227E-01 RMM: 4 -0.360811257168E+03 0.32566E-05 -0.14556E-03 4646 0.837E-02 0.253E-01 RMM: 5 -0.360810912003E+03 0.34516E-03 -0.30930E-04 3960 0.431E-02 0.131E-01 RMM: 6 -0.360810811752E+03 0.10025E-03 -0.86560E-05 3635 0.262E-02 0.549E-02 RMM: 7 -0.360810839955E+03 -0.28204E-04 -0.47469E-05 3160 0.190E-02 0.871E-02 RMM: 8 -0.360810803979E+03 0.35976E-04 -0.49223E-05 3017 0.192E-02 0.393E-02 RMM: 9 -0.360810803761E+03 0.21802E-06 -0.22164E-05 2544 0.140E-02 9319 T= 6643. E= 0.68219863E+03 F= 0.62724585E+03 E0= 0.65690356E+03 EK= 0.54953E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361661420036E+03 -0.85062E+00 -0.30154E-01 9216 0.246E+01 0.353E-01 RMM: 2 -0.361693600768E+03 -0.32181E-01 -0.21263E-01 5566 0.985E-01 0.144E+00 RMM: 3 -0.361678620097E+03 0.14981E-01 -0.16679E-02 5462 0.269E-01 0.311E-01 RMM: 4 -0.361678512288E+03 0.10781E-03 -0.23977E-03 4791 0.108E-01 0.317E-01 RMM: 5 -0.361677866892E+03 0.64540E-03 -0.53382E-04 4495 0.584E-02 0.129E-01 RMM: 6 -0.361677779409E+03 0.87483E-04 -0.92564E-05 3748 0.243E-02 0.712E-02 RMM: 7 -0.361677794037E+03 -0.14628E-04 -0.72084E-05 3539 0.219E-02 9320 T= 7608. E= 0.68945405E+03 F= 0.62651665E+03 E0= 0.65617643E+03 EK= 0.62937E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362393183305E+03 -0.71540E+00 -0.40440E-01 9180 0.259E+01 0.352E-01 RMM: 2 -0.362427831391E+03 -0.34648E-01 -0.27054E-01 5897 0.108E+00 0.128E+00 RMM: 3 -0.362415868442E+03 0.11963E-01 -0.15717E-02 5425 0.264E-01 0.354E-01 RMM: 4 -0.362415617172E+03 0.25127E-03 -0.22965E-03 4775 0.105E-01 0.317E-01 RMM: 5 -0.362414951253E+03 0.66592E-03 -0.52654E-04 4483 0.578E-02 0.127E-01 RMM: 6 -0.362414906546E+03 0.44707E-04 -0.11569E-04 3811 0.273E-02 0.104E-01 RMM: 7 -0.362414958201E+03 -0.51655E-04 -0.19093E-04 3897 0.331E-02 0.137E-01 RMM: 8 -0.362414861914E+03 0.96287E-04 -0.12466E-04 3879 0.285E-02 0.518E-02 RMM: 9 -0.362414885704E+03 -0.23790E-04 -0.49430E-05 3251 0.195E-02 0.831E-02 RMM: 10 -0.362414840753E+03 0.44950E-04 -0.25450E-05 2816 0.171E-02 0.189E-02 RMM: 11 -0.362414842267E+03 -0.15133E-05 -0.65063E-06 2448 0.750E-03 9321 T= 8145. E= 0.69329024E+03 F= 0.62590958E+03 E0= 0.65557869E+03 EK= 0.67381E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362798286606E+03 -0.38345E+00 -0.47409E-01 9024 0.260E+01 0.347E-01 RMM: 2 -0.362835277856E+03 -0.36991E-01 -0.30271E-01 5845 0.111E+00 0.124E+00 RMM: 3 -0.362823459665E+03 0.11818E-01 -0.17223E-02 5444 0.269E-01 0.284E-01 RMM: 4 -0.362823610743E+03 -0.15108E-03 -0.21010E-03 4801 0.101E-01 0.354E-01 RMM: 5 -0.362822782069E+03 0.82867E-03 -0.50336E-04 4405 0.552E-02 0.124E-01 RMM: 6 -0.362822713144E+03 0.68925E-04 -0.10930E-04 3815 0.265E-02 0.802E-02 RMM: 7 -0.362822725002E+03 -0.11858E-04 -0.11539E-04 3908 0.231E-02 9322 T= 7908. E= 0.69105246E+03 F= 0.62562938E+03 E0= 0.65530713E+03 EK= 0.65423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362840449726E+03 -0.17737E-01 -0.47090E-01 9024 0.250E+01 0.260E-01 RMM: 2 -0.362872380949E+03 -0.31931E-01 -0.25742E-01 6517 0.969E-01 0.111E+00 RMM: 3 -0.362862675594E+03 0.97054E-02 -0.95400E-03 5390 0.217E-01 0.235E-01 RMM: 4 -0.362862538983E+03 0.13661E-03 -0.11806E-03 4760 0.721E-02 0.195E-01 RMM: 5 -0.362862354494E+03 0.18449E-03 -0.21413E-04 3912 0.349E-02 0.122E-01 RMM: 6 -0.362862355377E+03 -0.88378E-06 -0.11009E-04 3810 0.281E-02 9323 T= 7046. E= 0.68401268E+03 F= 0.62572066E+03 E0= 0.65540748E+03 EK= 0.58292E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362605834930E+03 0.25652E+00 -0.44353E-01 8964 0.234E+01 0.514E-01 RMM: 2 -0.362681408967E+03 -0.75574E-01 -0.26814E-01 5632 0.101E+00 0.281E+00 RMM: 3 -0.362626267325E+03 0.55142E-01 -0.29965E-02 5349 0.410E-01 0.502E-01 RMM: 4 -0.362624617503E+03 0.16498E-02 -0.36061E-03 5368 0.118E-01 0.178E-01 RMM: 5 -0.362624599119E+03 0.18384E-04 -0.49373E-04 4042 0.495E-02 0.187E-01 RMM: 6 -0.362624419593E+03 0.17953E-03 -0.19211E-04 3884 0.369E-02 0.944E-02 RMM: 7 -0.362624540681E+03 -0.12109E-03 -0.15286E-04 3890 0.319E-02 0.157E-01 RMM: 8 -0.362624440536E+03 0.10015E-03 -0.11399E-04 3872 0.273E-02 0.859E-02 RMM: 9 -0.362624400289E+03 0.40246E-04 -0.33414E-05 2992 0.164E-02 0.315E-02 RMM: 10 -0.362624418089E+03 -0.17799E-04 -0.16701E-05 2521 0.120E-02 9324 T= 6032. E= 0.67599368E+03 F= 0.62609642E+03 E0= 0.65578835E+03 EK= 0.49897E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362238300726E+03 0.38610E+00 -0.40783E-01 8904 0.219E+01 0.486E-01 RMM: 2 -0.362304331571E+03 -0.66031E-01 -0.24357E-01 5465 0.987E-01 0.261E+00 RMM: 3 -0.362257231122E+03 0.47100E-01 -0.27044E-02 5340 0.385E-01 0.508E-01 RMM: 4 -0.362255486746E+03 0.17444E-02 -0.34914E-03 5247 0.121E-01 0.169E-01 RMM: 5 -0.362255485659E+03 0.10875E-05 -0.54910E-04 4393 0.556E-02 0.185E-01 RMM: 6 -0.362255289585E+03 0.19607E-03 -0.20255E-04 3885 0.373E-02 0.852E-02 RMM: 7 -0.362255396048E+03 -0.10646E-03 -0.13992E-04 3880 0.301E-02 0.148E-01 RMM: 8 -0.362255283499E+03 0.11255E-03 -0.87294E-05 3714 0.259E-02 0.616E-02 RMM: 9 -0.362255269821E+03 0.13678E-04 -0.24051E-05 2659 0.143E-02 9325 T= 5245. E= 0.67000263E+03 F= 0.62661072E+03 E0= 0.65630576E+03 EK= 0.43392E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361883462134E+03 0.37182E+00 -0.35866E-01 8868 0.209E+01 0.272E-01 RMM: 2 -0.361912566881E+03 -0.29105E-01 -0.19297E-01 6006 0.837E-01 0.131E+00 RMM: 3 -0.361899330753E+03 0.13236E-01 -0.10894E-02 5395 0.226E-01 0.279E-01 RMM: 4 -0.361898874482E+03 0.45627E-03 -0.12606E-03 4742 0.704E-02 0.136E-01 RMM: 5 -0.361898775922E+03 0.98560E-04 -0.20383E-04 3895 0.376E-02 0.109E-01 RMM: 6 -0.361898769206E+03 0.67156E-05 -0.11503E-04 3876 0.287E-02 9326 T= 4850. E= 0.66724229E+03 F= 0.62711653E+03 E0= 0.65681341E+03 EK= 0.40126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361662917917E+03 0.23586E+00 -0.32912E-01 8904 0.206E+01 0.518E-01 RMM: 2 -0.361729753269E+03 -0.66835E-01 -0.20389E-01 5435 0.950E-01 0.279E+00 RMM: 3 -0.361677305957E+03 0.52447E-01 -0.29800E-02 5223 0.418E-01 0.451E-01 RMM: 4 -0.361675970776E+03 0.13352E-02 -0.32270E-03 5197 0.110E-01 0.152E-01 RMM: 5 -0.361675980384E+03 -0.96074E-05 -0.43791E-04 4154 0.505E-02 0.188E-01 RMM: 6 -0.361675814680E+03 0.16570E-03 -0.22570E-04 3895 0.401E-02 0.105E-01 RMM: 7 -0.361676009849E+03 -0.19517E-03 -0.21443E-04 3903 0.376E-02 0.194E-01 RMM: 8 -0.361675800979E+03 0.20887E-03 -0.12845E-04 3866 0.320E-02 0.728E-02 RMM: 9 -0.361675779461E+03 0.21518E-04 -0.36237E-05 3063 0.170E-02 0.429E-02 RMM: 10 -0.361675794633E+03 -0.15172E-04 -0.19518E-05 2533 0.135E-02 9327 T= 4892. E= 0.66795996E+03 F= 0.62748736E+03 E0= 0.65718624E+03 EK= 0.40473E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361679186680E+03 -0.34072E-02 -0.30323E-01 9012 0.211E+01 0.466E-01 RMM: 2 -0.361735035351E+03 -0.55849E-01 -0.18733E-01 5411 0.880E-01 0.244E+00 RMM: 3 -0.361693557902E+03 0.41477E-01 -0.25142E-02 5341 0.374E-01 0.464E-01 RMM: 4 -0.361692145244E+03 0.14127E-02 -0.31042E-03 5074 0.113E-01 0.164E-01 RMM: 5 -0.361692165387E+03 -0.20144E-04 -0.44007E-04 4122 0.496E-02 0.180E-01 RMM: 6 -0.361691965960E+03 0.19943E-03 -0.14889E-04 3880 0.326E-02 0.699E-02 RMM: 7 -0.361692016523E+03 -0.50563E-04 -0.83428E-05 3614 0.235E-02 0.110E-01 RMM: 8 -0.361691965051E+03 0.51472E-04 -0.55892E-05 3295 0.218E-02 0.556E-02 RMM: 9 -0.361691951271E+03 0.13781E-04 -0.20895E-05 2581 0.138E-02 9328 T= 5387. E= 0.67217897E+03 F= 0.62761166E+03 E0= 0.65731433E+03 EK= 0.44567E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362010402971E+03 -0.31844E+00 -0.27232E-01 9000 0.224E+01 0.307E-01 RMM: 2 -0.362037170156E+03 -0.26767E-01 -0.17595E-01 5471 0.874E-01 0.133E+00 RMM: 3 -0.362024565752E+03 0.12604E-01 -0.14617E-02 5419 0.259E-01 0.307E-01 RMM: 4 -0.362024002729E+03 0.56302E-03 -0.15644E-03 4740 0.821E-02 0.155E-01 RMM: 5 -0.362023916336E+03 0.86393E-04 -0.25267E-04 3931 0.363E-02 0.137E-01 RMM: 6 -0.362023813456E+03 0.10288E-03 -0.96723E-05 3690 0.269E-02 0.699E-02 RMM: 7 -0.362023894441E+03 -0.80986E-04 -0.10842E-04 3857 0.263E-02 0.134E-01 RMM: 8 -0.362023789329E+03 0.10511E-03 -0.76746E-05 3580 0.237E-02 0.464E-02 RMM: 9 -0.362023780592E+03 0.87365E-05 -0.19921E-05 2553 0.131E-02 9329 T= 6309. E= 0.67959835E+03 F= 0.62740896E+03 E0= 0.65711622E+03 EK= 0.52189E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362640817957E+03 -0.61703E+00 -0.25352E-01 9132 0.242E+01 0.335E-01 RMM: 2 -0.362672333036E+03 -0.31515E-01 -0.18891E-01 5216 0.948E-01 0.150E+00 RMM: 3 -0.362656057059E+03 0.16276E-01 -0.18123E-02 5467 0.280E-01 0.283E-01 RMM: 4 -0.362655664448E+03 0.39261E-03 -0.20094E-03 4831 0.965E-02 0.220E-01 RMM: 5 -0.362655415261E+03 0.24919E-03 -0.34970E-04 3925 0.440E-02 0.136E-01 RMM: 6 -0.362655301548E+03 0.11371E-03 -0.92938E-05 3722 0.265E-02 0.564E-02 RMM: 7 -0.362655317948E+03 -0.16400E-04 -0.50052E-05 3173 0.194E-02 9330 T= 7457. E= 0.68858615E+03 F= 0.62689462E+03 E0= 0.65660712E+03 EK= 0.61692E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363397723931E+03 -0.74242E+00 -0.25872E-01 8412 0.259E+01 0.328E-01 RMM: 2 -0.363426089461E+03 -0.28366E-01 -0.22555E-01 5159 0.108E+00 0.119E+00 RMM: 3 -0.363416456534E+03 0.96329E-02 -0.20941E-02 5726 0.285E-01 0.288E-01 RMM: 4 -0.363416098477E+03 0.35806E-03 -0.18306E-03 4871 0.979E-02 0.288E-01 RMM: 5 -0.363415553218E+03 0.54526E-03 -0.44733E-04 4336 0.541E-02 0.109E-01 RMM: 6 -0.363415497495E+03 0.55723E-04 -0.89863E-05 3676 0.239E-02 0.717E-02 RMM: 7 -0.363415505780E+03 -0.82846E-05 -0.85516E-05 3834 0.243E-02 9331 T= 8337. E= 0.69521059E+03 F= 0.62624239E+03 E0= 0.65595809E+03 EK= 0.68968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363999707114E+03 -0.58421E+00 -0.24874E-01 8664 0.268E+01 0.351E-01 RMM: 2 -0.364024467556E+03 -0.24760E-01 -0.20291E-01 5323 0.105E+00 0.116E+00 RMM: 3 -0.364015616736E+03 0.88508E-02 -0.17754E-02 5627 0.272E-01 0.240E-01 RMM: 4 -0.364015700143E+03 -0.83408E-04 -0.17448E-03 4718 0.939E-02 0.354E-01 RMM: 5 -0.364014906631E+03 0.79351E-03 -0.49416E-04 4512 0.580E-02 0.114E-01 RMM: 6 -0.364014834324E+03 0.72307E-04 -0.93018E-05 3701 0.240E-02 0.652E-02 RMM: 7 -0.364014820670E+03 0.13654E-04 -0.64396E-05 3544 0.208E-02 9332 T= 8386. E= 0.69512074E+03 F= 0.62574671E+03 E0= 0.65546513E+03 EK= 0.69374E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364223605627E+03 -0.20877E+00 -0.23292E-01 8940 0.261E+01 0.331E-01 RMM: 2 -0.364247823363E+03 -0.24218E-01 -0.16653E-01 5332 0.941E-01 0.129E+00 RMM: 3 -0.364236595979E+03 0.11227E-01 -0.14957E-02 5507 0.259E-01 0.273E-01 RMM: 4 -0.364236317256E+03 0.27872E-03 -0.16393E-03 4680 0.899E-02 0.250E-01 RMM: 5 -0.364235962180E+03 0.35508E-03 -0.36731E-04 4279 0.492E-02 0.133E-01 RMM: 6 -0.364235861883E+03 0.10030E-03 -0.91850E-05 3700 0.255E-02 0.678E-02 RMM: 7 -0.364235893803E+03 -0.31920E-04 -0.84426E-05 3788 0.236E-02 0.105E-01 RMM: 8 -0.364235825829E+03 0.67973E-04 -0.75333E-05 3781 0.218E-02 0.384E-02 RMM: 9 -0.364235845681E+03 -0.19852E-04 -0.33716E-05 2956 0.162E-02 9333 T= 7551. E= 0.68809908E+03 F= 0.62563048E+03 E0= 0.65534966E+03 EK= 0.62469E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.364074795376E+03 0.16103E+00 -0.20572E-01 8520 0.244E+01 0.259E-01 RMM: 2 -0.364092269878E+03 -0.17475E-01 -0.13089E-01 5118 0.805E-01 0.965E-01 RMM: 3 -0.364085056127E+03 0.72138E-02 -0.11661E-02 5506 0.232E-01 0.227E-01 RMM: 4 -0.364084963906E+03 0.92221E-04 -0.11962E-03 4755 0.788E-02 0.211E-01 RMM: 5 -0.364084707471E+03 0.25643E-03 -0.23647E-04 3908 0.389E-02 0.113E-01 RMM: 6 -0.364084633797E+03 0.73674E-04 -0.60820E-05 3346 0.226E-02 0.521E-02 RMM: 7 -0.364084671771E+03 -0.37974E-04 -0.59308E-05 3396 0.210E-02 0.919E-02 RMM: 8 -0.364084622525E+03 0.49246E-04 -0.41872E-05 2930 0.184E-02 0.281E-02 RMM: 9 -0.364084624877E+03 -0.23526E-05 -0.16462E-05 2485 0.117E-02 9334 T= 6354. E= 0.67845488E+03 F= 0.62589191E+03 E0= 0.65561117E+03 EK= 0.52563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363718350855E+03 0.36627E+00 -0.17054E-01 8328 0.223E+01 0.209E-01 RMM: 2 -0.363734522827E+03 -0.16172E-01 -0.11322E-01 5036 0.763E-01 0.971E-01 RMM: 3 -0.363727650600E+03 0.68722E-02 -0.10912E-02 5694 0.217E-01 0.190E-01 RMM: 4 -0.363727361851E+03 0.28875E-03 -0.70848E-04 4685 0.606E-02 0.113E-01 RMM: 5 -0.363727277343E+03 0.84508E-04 -0.13702E-04 3891 0.341E-02 0.823E-02 RMM: 6 -0.363727286224E+03 -0.88811E-05 -0.72486E-05 3529 0.233E-02 9335 T= 5331. E= 0.67046943E+03 F= 0.62636632E+03 E0= 0.65608796E+03 EK= 0.44103E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363331219211E+03 0.39606E+00 -0.14260E-01 8400 0.207E+01 0.353E-01 RMM: 2 -0.363363290257E+03 -0.32071E-01 -0.10348E-01 5172 0.746E-01 0.190E+00 RMM: 3 -0.363338935174E+03 0.24355E-01 -0.14677E-02 5346 0.291E-01 0.355E-01 RMM: 4 -0.363338095713E+03 0.83946E-03 -0.16024E-03 4735 0.823E-02 0.129E-01 RMM: 5 -0.363338049141E+03 0.46572E-04 -0.26986E-04 3975 0.437E-02 0.134E-01 RMM: 6 -0.363337964393E+03 0.84748E-04 -0.16582E-04 3888 0.356E-02 0.906E-02 RMM: 7 -0.363338061529E+03 -0.97136E-04 -0.15860E-04 3898 0.339E-02 0.147E-01 RMM: 8 -0.363337942151E+03 0.11938E-03 -0.84834E-05 3664 0.267E-02 0.617E-02 RMM: 9 -0.363337926729E+03 0.15421E-04 -0.23844E-05 2682 0.144E-02 9336 T= 4728. E= 0.66598770E+03 F= 0.62687761E+03 E0= 0.65660337E+03 EK= 0.39110E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.363006320209E+03 0.33162E+00 -0.12842E-01 8520 0.199E+01 0.314E-01 RMM: 2 -0.363033697482E+03 -0.27377E-01 -0.90950E-02 5047 0.674E-01 0.173E+00 RMM: 3 -0.363013300310E+03 0.20397E-01 -0.12627E-02 5361 0.267E-01 0.359E-01 RMM: 4 -0.363012415723E+03 0.88459E-03 -0.16382E-03 4753 0.868E-02 0.117E-01 RMM: 5 -0.363012422056E+03 -0.63329E-05 -0.25841E-04 3912 0.417E-02 0.136E-01 RMM: 6 -0.363012304458E+03 0.11760E-03 -0.91869E-05 3800 0.276E-02 0.478E-02 RMM: 7 -0.363012328119E+03 -0.23660E-04 -0.48824E-05 3193 0.196E-02 0.793E-02 RMM: 8 -0.363012293546E+03 0.34572E-04 -0.32413E-05 2793 0.185E-02 0.293E-02 RMM: 9 -0.363012291568E+03 0.19782E-05 -0.97756E-06 2457 0.918E-03 9337 T= 4593. E= 0.66532298E+03 F= 0.62732515E+03 E0= 0.65705889E+03 EK= 0.37998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362745811452E+03 0.26648E+00 -0.13105E-01 8328 0.202E+01 0.235E-01 RMM: 2 -0.362763751791E+03 -0.17940E-01 -0.86534E-02 5195 0.611E-01 0.127E+00 RMM: 3 -0.362752418792E+03 0.11333E-01 -0.86525E-03 5384 0.205E-01 0.231E-01 RMM: 4 -0.362752119543E+03 0.29925E-03 -0.99007E-04 4677 0.657E-02 0.115E-01 RMM: 5 -0.362752082008E+03 0.37535E-04 -0.15254E-04 3906 0.299E-02 0.112E-01 RMM: 6 -0.362752003543E+03 0.78465E-04 -0.52997E-05 3259 0.211E-02 0.458E-02 RMM: 7 -0.362752046106E+03 -0.42563E-04 -0.69870E-05 3539 0.223E-02 0.955E-02 RMM: 8 -0.362751990390E+03 0.55716E-04 -0.36519E-05 3013 0.185E-02 0.275E-02 RMM: 9 -0.362751988069E+03 0.23204E-05 -0.96030E-06 2462 0.866E-03 9338 T= 4931. E= 0.66849834E+03 F= 0.62770163E+03 E0= 0.65744788E+03 EK= 0.40797E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362459237232E+03 0.29275E+00 -0.15006E-01 8856 0.214E+01 0.233E-01 RMM: 2 -0.362474243877E+03 -0.15007E-01 -0.97230E-02 5371 0.641E-01 0.104E+00 RMM: 3 -0.362466508291E+03 0.77356E-02 -0.73253E-03 5465 0.180E-01 0.193E-01 RMM: 4 -0.362466432501E+03 0.75789E-04 -0.96501E-04 4647 0.683E-02 0.182E-01 RMM: 5 -0.362466238319E+03 0.19418E-03 -0.17723E-04 3896 0.323E-02 0.101E-01 RMM: 6 -0.362466175992E+03 0.62328E-04 -0.46221E-05 3173 0.203E-02 0.398E-02 RMM: 7 -0.362466182721E+03 -0.67294E-05 -0.26106E-05 2597 0.143E-02 9339 T= 5736. E= 0.67554680E+03 F= 0.62809349E+03 E0= 0.65785755E+03 EK= 0.47453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361966814755E+03 0.49936E+00 -0.19983E-01 9132 0.235E+01 0.247E-01 RMM: 2 -0.361983252827E+03 -0.16438E-01 -0.14350E-01 5445 0.793E-01 0.807E-01 RMM: 3 -0.361978247000E+03 0.50058E-02 -0.10250E-02 5738 0.194E-01 0.207E-01 RMM: 4 -0.361978203933E+03 0.43067E-04 -0.10289E-03 4658 0.735E-02 0.252E-01 RMM: 5 -0.361977778346E+03 0.42559E-03 -0.27936E-04 3899 0.428E-02 0.785E-02 RMM: 6 -0.361977752935E+03 0.25411E-04 -0.43540E-05 3111 0.188E-02 0.604E-02 RMM: 7 -0.361977739079E+03 0.13857E-04 -0.45747E-05 2721 0.184E-02 9340 T= 6898. E= 0.68574458E+03 F= 0.62867630E+03 E0= 0.65846378E+03 EK= 0.57068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361054296725E+03 0.92346E+00 -0.28093E-01 9180 0.256E+01 0.329E-01 RMM: 2 -0.361083858504E+03 -0.29562E-01 -0.21663E-01 5408 0.100E+00 0.131E+00 RMM: 3 -0.361071688213E+03 0.12170E-01 -0.17603E-02 5598 0.262E-01 0.280E-01 RMM: 4 -0.361071436282E+03 0.25193E-03 -0.18661E-03 4742 0.982E-02 0.284E-01 RMM: 5 -0.361070917651E+03 0.51863E-03 -0.42669E-04 4236 0.523E-02 0.133E-01 RMM: 6 -0.361070825405E+03 0.92246E-04 -0.98830E-05 3744 0.259E-02 0.734E-02 RMM: 7 -0.361070816998E+03 0.84070E-05 -0.60697E-05 3337 0.204E-02 9341 T= 8036. E= 0.69614342E+03 F= 0.62966734E+03 E0= 0.65948314E+03 EK= 0.66476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359594269118E+03 0.14766E+01 -0.35670E-01 9048 0.269E+01 0.290E-01 RMM: 2 -0.359623867185E+03 -0.29598E-01 -0.24733E-01 5452 0.104E+00 0.106E+00 RMM: 3 -0.359614580232E+03 0.92870E-02 -0.17576E-02 5662 0.257E-01 0.251E-01 RMM: 4 -0.359614435228E+03 0.14500E-03 -0.15353E-03 4745 0.871E-02 0.271E-01 RMM: 5 -0.359613948884E+03 0.48634E-03 -0.34627E-04 3941 0.460E-02 0.111E-01 RMM: 6 -0.359613908917E+03 0.39967E-04 -0.90359E-05 3651 0.253E-02 0.866E-02 RMM: 7 -0.359613901927E+03 0.69891E-05 -0.11773E-04 3887 0.261E-02 9342 T= 8524. E= 0.70171690E+03 F= 0.63120170E+03 E0= 0.66104933E+03 EK= 0.70515E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357684177160E+03 0.19297E+01 -0.40950E-01 8556 0.267E+01 0.309E-01 RMM: 2 -0.357720932907E+03 -0.36756E-01 -0.25091E-01 5493 0.103E+00 0.147E+00 RMM: 3 -0.357704420851E+03 0.16512E-01 -0.16521E-02 5490 0.282E-01 0.258E-01 RMM: 4 -0.357704239576E+03 0.18128E-03 -0.17462E-03 5005 0.923E-02 0.220E-01 RMM: 5 -0.357704013035E+03 0.22654E-03 -0.29392E-04 3928 0.398E-02 0.138E-01 RMM: 6 -0.357703925954E+03 0.87081E-04 -0.10016E-04 3682 0.278E-02 0.735E-02 RMM: 7 -0.357704030620E+03 -0.10467E-03 -0.98837E-05 3851 0.248E-02 0.137E-01 RMM: 8 -0.357703931811E+03 0.98808E-04 -0.94860E-05 3853 0.253E-02 0.415E-02 RMM: 9 -0.357703926436E+03 0.53757E-05 -0.20071E-05 2563 0.131E-02 9343 T= 8024. E= 0.69957071E+03 F= 0.63318687E+03 E0= 0.66306517E+03 EK= 0.66384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355642988003E+03 0.20609E+01 -0.43649E-01 8904 0.251E+01 0.294E-01 RMM: 2 -0.355682043872E+03 -0.39056E-01 -0.27828E-01 5438 0.113E+00 0.141E+00 RMM: 3 -0.355666209015E+03 0.15835E-01 -0.19232E-02 5428 0.311E-01 0.292E-01 RMM: 4 -0.355665724971E+03 0.48404E-03 -0.18413E-03 5146 0.929E-02 0.166E-01 RMM: 5 -0.355665614917E+03 0.11005E-03 -0.28517E-04 3926 0.408E-02 0.134E-01 RMM: 6 -0.355665534146E+03 0.80771E-04 -0.10058E-04 3836 0.275E-02 0.797E-02 RMM: 7 -0.355665598602E+03 -0.64456E-04 -0.95118E-05 3855 0.255E-02 0.124E-01 RMM: 8 -0.355665514658E+03 0.83944E-04 -0.74074E-05 3634 0.232E-02 0.418E-02 RMM: 9 -0.355665523665E+03 -0.90074E-05 -0.26504E-05 2626 0.147E-02 9344 T= 6890. E= 0.69230032E+03 F= 0.63530209E+03 E0= 0.66520916E+03 EK= 0.56998E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353851114132E+03 0.18144E+01 -0.37510E-01 8952 0.230E+01 0.269E-01 RMM: 2 -0.353885439695E+03 -0.34326E-01 -0.26389E-01 5456 0.114E+00 0.124E+00 RMM: 3 -0.353873516469E+03 0.11923E-01 -0.17836E-02 5578 0.280E-01 0.256E-01 RMM: 4 -0.353873110106E+03 0.40636E-03 -0.15269E-03 4846 0.858E-02 0.191E-01 RMM: 5 -0.353872888728E+03 0.22138E-03 -0.29002E-04 4021 0.446E-02 0.113E-01 RMM: 6 -0.353872852455E+03 0.36273E-04 -0.98931E-05 3807 0.266E-02 0.971E-02 RMM: 7 -0.353872861417E+03 -0.89618E-05 -0.10211E-04 3882 0.281E-02 9345 T= 5751. E= 0.68474852E+03 F= 0.63717530E+03 E0= 0.66711069E+03 EK= 0.47573E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352565074578E+03 0.13078E+01 -0.26415E-01 8964 0.212E+01 0.260E-01 RMM: 2 -0.352592277545E+03 -0.27203E-01 -0.20418E-01 5551 0.996E-01 0.115E+00 RMM: 3 -0.352582253650E+03 0.10024E-01 -0.13120E-02 5597 0.239E-01 0.286E-01 RMM: 4 -0.352581683354E+03 0.57030E-03 -0.11198E-03 4726 0.718E-02 0.145E-01 RMM: 5 -0.352581572127E+03 0.11123E-03 -0.18791E-04 3919 0.371E-02 0.114E-01 RMM: 6 -0.352581581916E+03 -0.97892E-05 -0.95506E-05 3846 0.261E-02 9346 T= 4993. E= 0.67985227E+03 F= 0.63855063E+03 E0= 0.66851366E+03 EK= 0.41302E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351884736053E+03 0.69684E+00 -0.18473E-01 8964 0.202E+01 0.387E-01 RMM: 2 -0.351927316483E+03 -0.42580E-01 -0.14087E-01 5504 0.806E-01 0.214E+00 RMM: 3 -0.351895848500E+03 0.31468E-01 -0.17391E-02 5345 0.314E-01 0.400E-01 RMM: 4 -0.351894812258E+03 0.10362E-02 -0.20534E-03 4774 0.913E-02 0.141E-01 RMM: 5 -0.351894750386E+03 0.61872E-04 -0.26621E-04 3917 0.413E-02 0.124E-01 RMM: 6 -0.351894679210E+03 0.71176E-04 -0.86990E-05 3743 0.263E-02 0.779E-02 RMM: 7 -0.351894737955E+03 -0.58745E-04 -0.95500E-05 3848 0.267E-02 0.117E-01 RMM: 8 -0.351894679772E+03 0.58184E-04 -0.63866E-05 3429 0.216E-02 0.629E-02 RMM: 9 -0.351894664298E+03 0.15473E-04 -0.26926E-05 2714 0.157E-02 9347 T= 4730. E= 0.67845050E+03 F= 0.63932272E+03 E0= 0.66931096E+03 EK= 0.39128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351800521302E+03 0.94158E-01 -0.15823E-01 8772 0.202E+01 0.455E-01 RMM: 2 -0.351852292037E+03 -0.51771E-01 -0.12567E-01 5302 0.805E-01 0.253E+00 RMM: 3 -0.351809263032E+03 0.43029E-01 -0.20144E-02 5306 0.351E-01 0.480E-01 RMM: 4 -0.351807674489E+03 0.15885E-02 -0.28086E-03 5023 0.114E-01 0.158E-01 RMM: 5 -0.351807783350E+03 -0.10886E-03 -0.44468E-04 4227 0.511E-02 0.209E-01 RMM: 6 -0.351807513106E+03 0.27024E-03 -0.15364E-04 3877 0.346E-02 0.689E-02 RMM: 7 -0.351807500021E+03 0.13084E-04 -0.49506E-05 3222 0.197E-02 9348 T= 4975. E= 0.68065196E+03 F= 0.63949255E+03 E0= 0.66950938E+03 EK= 0.41159E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352231218983E+03 -0.42371E+00 -0.16689E-01 8940 0.212E+01 0.324E-01 RMM: 2 -0.352264335285E+03 -0.33116E-01 -0.10880E-01 5415 0.692E-01 0.189E+00 RMM: 3 -0.352239181374E+03 0.25154E-01 -0.12319E-02 5349 0.261E-01 0.283E-01 RMM: 4 -0.352238776191E+03 0.40518E-03 -0.15815E-03 4696 0.820E-02 0.177E-01 RMM: 5 -0.352238675458E+03 0.10073E-03 -0.25462E-04 3917 0.410E-02 0.145E-01 RMM: 6 -0.352238538545E+03 0.13691E-03 -0.82002E-05 3570 0.256E-02 0.495E-02 RMM: 7 -0.352238553017E+03 -0.14472E-04 -0.40334E-05 2986 0.179E-02 9349 T= 5719. E= 0.68644936E+03 F= 0.63913855E+03 E0= 0.66918531E+03 EK= 0.47311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353018698816E+03 -0.78016E+00 -0.20306E-01 8832 0.230E+01 0.363E-01 RMM: 2 -0.353052166264E+03 -0.33467E-01 -0.15055E-01 5340 0.856E-01 0.181E+00 RMM: 3 -0.353029944465E+03 0.22222E-01 -0.15857E-02 5382 0.288E-01 0.347E-01 RMM: 4 -0.353029268112E+03 0.67635E-03 -0.20476E-03 4784 0.961E-02 0.191E-01 RMM: 5 -0.353029154604E+03 0.11351E-03 -0.36748E-04 4056 0.483E-02 0.162E-01 RMM: 6 -0.353028986382E+03 0.16822E-03 -0.11780E-04 3840 0.302E-02 0.545E-02 RMM: 7 -0.353028978472E+03 0.79098E-05 -0.25042E-05 2583 0.148E-02 9350 T= 6855. E= 0.69512903E+03 F= 0.63841811E+03 E0= 0.66849504E+03 EK= 0.56711E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353911349442E+03 -0.88236E+00 -0.25101E-01 9072 0.250E+01 0.313E-01 RMM: 2 -0.353939383723E+03 -0.28034E-01 -0.18876E-01 5410 0.943E-01 0.134E+00 RMM: 3 -0.353926397565E+03 0.12986E-01 -0.15330E-02 5440 0.269E-01 0.291E-01 RMM: 4 -0.353926131243E+03 0.26632E-03 -0.17863E-03 4749 0.904E-02 0.250E-01 RMM: 5 -0.353925729677E+03 0.40157E-03 -0.36884E-04 4188 0.492E-02 0.123E-01 RMM: 6 -0.353925638146E+03 0.91531E-04 -0.91631E-05 3721 0.249E-02 0.687E-02 RMM: 7 -0.353925623095E+03 0.15051E-04 -0.61098E-05 3417 0.213E-02 9351 T= 8011. E= 0.70385836E+03 F= 0.63758501E+03 E0= 0.66769289E+03 EK= 0.66273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354617094786E+03 -0.69146E+00 -0.28674E-01 9060 0.263E+01 0.330E-01 RMM: 2 -0.354649130151E+03 -0.32035E-01 -0.21680E-01 5402 0.100E+00 0.145E+00 RMM: 3 -0.354634130231E+03 0.15000E-01 -0.17362E-02 5537 0.279E-01 0.330E-01 RMM: 4 -0.354633633568E+03 0.49666E-03 -0.20524E-03 4794 0.996E-02 0.241E-01 RMM: 5 -0.354633322005E+03 0.31156E-03 -0.41835E-04 4268 0.520E-02 0.150E-01 RMM: 6 -0.354633186841E+03 0.13516E-03 -0.11988E-04 3853 0.289E-02 0.658E-02 RMM: 7 -0.354633182471E+03 0.43696E-05 -0.32333E-05 2758 0.165E-02 9352 T= 8552. E= 0.70768821E+03 F= 0.63693692E+03 E0= 0.66707425E+03 EK= 0.70751E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354937377204E+03 -0.30419E+00 -0.29822E-01 8964 0.262E+01 0.265E-01 RMM: 2 -0.354966036708E+03 -0.28660E-01 -0.20861E-01 5457 0.921E-01 0.122E+00 RMM: 3 -0.354953676483E+03 0.12360E-01 -0.13896E-02 5449 0.252E-01 0.245E-01 RMM: 4 -0.354953480171E+03 0.19631E-03 -0.14902E-03 4801 0.797E-02 0.201E-01 RMM: 5 -0.354953245144E+03 0.23503E-03 -0.25427E-04 3914 0.395E-02 0.115E-01 RMM: 6 -0.354953172987E+03 0.72157E-04 -0.76727E-05 3523 0.243E-02 0.616E-02 RMM: 7 -0.354953189645E+03 -0.16658E-04 -0.49814E-05 3121 0.194E-02 9353 T= 8096. E= 0.70364894E+03 F= 0.63667548E+03 E0= 0.66683818E+03 EK= 0.66973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354877571159E+03 0.75602E-01 -0.28783E-01 8928 0.248E+01 0.232E-01 RMM: 2 -0.354901868531E+03 -0.24297E-01 -0.18943E-01 5513 0.880E-01 0.102E+00 RMM: 3 -0.354892903560E+03 0.89650E-02 -0.12116E-02 5489 0.237E-01 0.230E-01 RMM: 4 -0.354892624079E+03 0.27948E-03 -0.11410E-03 4791 0.703E-02 0.140E-01 RMM: 5 -0.354892571438E+03 0.52641E-04 -0.19834E-04 3902 0.356E-02 0.125E-01 RMM: 6 -0.354892484451E+03 0.86987E-04 -0.81643E-05 3574 0.256E-02 0.532E-02 RMM: 7 -0.354892525563E+03 -0.41111E-04 -0.46701E-05 3144 0.193E-02 0.939E-02 RMM: 8 -0.354892490193E+03 0.35370E-04 -0.37335E-05 2752 0.186E-02 0.496E-02 RMM: 9 -0.354892478461E+03 0.11731E-04 -0.17112E-05 2499 0.122E-02 9354 T= 6958. E= 0.69436131E+03 F= 0.63679680E+03 E0= 0.66698015E+03 EK= 0.57565E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354604280943E+03 0.28821E+00 -0.24295E-01 9024 0.228E+01 0.248E-01 RMM: 2 -0.354631040862E+03 -0.26760E-01 -0.16857E-01 5578 0.841E-01 0.131E+00 RMM: 3 -0.354617710879E+03 0.13330E-01 -0.10954E-02 5427 0.224E-01 0.207E-01 RMM: 4 -0.354617511693E+03 0.19919E-03 -0.11615E-03 4799 0.696E-02 0.159E-01 RMM: 5 -0.354617354987E+03 0.15671E-03 -0.19881E-04 3890 0.376E-02 0.880E-02 RMM: 6 -0.354617325122E+03 0.29865E-04 -0.64106E-05 3418 0.224E-02 0.647E-02 RMM: 7 -0.354617348957E+03 -0.23835E-04 -0.48972E-05 3123 0.200E-02 0.920E-02 RMM: 8 -0.354617297918E+03 0.51039E-04 -0.36450E-05 2835 0.183E-02 0.294E-02 RMM: 9 -0.354617300594E+03 -0.26756E-05 -0.15890E-05 2474 0.112E-02 9355 T= 5775. E= 0.68490767E+03 F= 0.63713629E+03 E0= 0.66733503E+03 EK= 0.47771E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354301649823E+03 0.31565E+00 -0.19020E-01 9000 0.210E+01 0.212E-01 RMM: 2 -0.354320942019E+03 -0.19292E-01 -0.13432E-01 5499 0.774E-01 0.104E+00 RMM: 3 -0.354312624076E+03 0.83179E-02 -0.94456E-03 5537 0.201E-01 0.211E-01 RMM: 4 -0.354312314141E+03 0.30994E-03 -0.91544E-04 4749 0.628E-02 0.120E-01 RMM: 5 -0.354312220552E+03 0.93588E-04 -0.15408E-04 3881 0.325E-02 0.839E-02 RMM: 6 -0.354312196575E+03 0.23977E-04 -0.44722E-05 3100 0.194E-02 0.685E-02 RMM: 7 -0.354312208065E+03 -0.11490E-04 -0.61770E-05 3526 0.217E-02 9356 T= 4944. E= 0.67841030E+03 F= 0.63750908E+03 E0= 0.66772065E+03 EK= 0.40901E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354085499682E+03 0.22670E+00 -0.14889E-01 9168 0.200E+01 0.181E-01 RMM: 2 -0.354099058482E+03 -0.13559E-01 -0.96300E-02 5506 0.642E-01 0.869E-01 RMM: 3 -0.354093269210E+03 0.57893E-02 -0.63024E-03 5530 0.165E-01 0.213E-01 RMM: 4 -0.354092968640E+03 0.30057E-03 -0.63763E-04 4666 0.526E-02 0.936E-02 RMM: 5 -0.354092917576E+03 0.51064E-04 -0.11084E-04 3880 0.277E-02 0.812E-02 RMM: 6 -0.354092901010E+03 0.16566E-04 -0.45554E-05 3122 0.195E-02 9357 T= 4583. E= 0.67571360E+03 F= 0.63779727E+03 E0= 0.66801821E+03 EK= 0.37916E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353990177488E+03 0.10274E+00 -0.13845E-01 8820 0.200E+01 0.356E-01 RMM: 2 -0.354020934914E+03 -0.30757E-01 -0.96203E-02 5176 0.692E-01 0.190E+00 RMM: 3 -0.353997069753E+03 0.23865E-01 -0.15054E-02 5359 0.294E-01 0.355E-01 RMM: 4 -0.353996184492E+03 0.88526E-03 -0.16462E-03 4718 0.815E-02 0.904E-02 RMM: 5 -0.353996180835E+03 0.36576E-05 -0.20905E-04 3910 0.347E-02 0.103E-01 RMM: 6 -0.353996119786E+03 0.61049E-04 -0.57551E-05 3301 0.222E-02 0.502E-02 RMM: 7 -0.353996131965E+03 -0.12178E-04 -0.30160E-05 2729 0.165E-02 9358 T= 4701. E= 0.67684922E+03 F= 0.63796082E+03 E0= 0.66818867E+03 EK= 0.38888E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353982805755E+03 0.13314E-01 -0.14514E-01 8724 0.209E+01 0.328E-01 RMM: 2 -0.354011276614E+03 -0.28471E-01 -0.85049E-02 5327 0.640E-01 0.182E+00 RMM: 3 -0.353989213415E+03 0.22063E-01 -0.11900E-02 5362 0.260E-01 0.378E-01 RMM: 4 -0.353988256705E+03 0.95671E-03 -0.17123E-03 4691 0.881E-02 0.129E-01 RMM: 5 -0.353988278684E+03 -0.21979E-04 -0.27322E-04 3892 0.409E-02 0.144E-01 RMM: 6 -0.353988141654E+03 0.13703E-03 -0.76139E-05 3524 0.255E-02 0.433E-02 RMM: 7 -0.353988133555E+03 0.80983E-05 -0.16196E-05 2522 0.116E-02 9359 T= 5297. E= 0.68185466E+03 F= 0.63803050E+03 E0= 0.66826324E+03 EK= 0.43824E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353961352718E+03 0.26789E-01 -0.17539E-01 8868 0.227E+01 0.312E-01 RMM: 2 -0.353988390477E+03 -0.27038E-01 -0.11353E-01 5298 0.765E-01 0.165E+00 RMM: 3 -0.353970006540E+03 0.18384E-01 -0.12848E-02 5394 0.261E-01 0.323E-01 RMM: 4 -0.353969393378E+03 0.61316E-03 -0.15437E-03 4719 0.826E-02 0.145E-01 RMM: 5 -0.353969330676E+03 0.62702E-04 -0.26846E-04 3899 0.407E-02 0.139E-01 RMM: 6 -0.353969206646E+03 0.12403E-03 -0.91321E-05 3730 0.274E-02 0.438E-02 RMM: 7 -0.353969205128E+03 0.15180E-05 -0.20448E-05 2544 0.132E-02 9360 T= 6334. E= 0.69050244E+03 F= 0.63810440E+03 E0= 0.66833701E+03 EK= 0.52398E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353774206145E+03 0.19500E+00 -0.21303E-01 9012 0.250E+01 0.294E-01 RMM: 2 -0.353797334495E+03 -0.23128E-01 -0.13665E-01 5405 0.850E-01 0.137E+00 RMM: 3 -0.353784878809E+03 0.12456E-01 -0.12022E-02 5500 0.236E-01 0.261E-01 RMM: 4 -0.353784624829E+03 0.25398E-03 -0.14520E-03 4661 0.851E-02 0.233E-01 RMM: 5 -0.353784287179E+03 0.33765E-03 -0.31793E-04 3984 0.475E-02 0.104E-01 RMM: 6 -0.353784224448E+03 0.62731E-04 -0.65269E-05 3429 0.226E-02 0.535E-02 RMM: 7 -0.353784219952E+03 0.44954E-05 -0.27545E-05 2562 0.156E-02 9361 T= 7575. E= 0.70100508E+03 F= 0.63833783E+03 E0= 0.66856313E+03 EK= 0.62667E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353264602292E+03 0.51962E+00 -0.25519E-01 9024 0.269E+01 0.282E-01 RMM: 2 -0.353286495256E+03 -0.21893E-01 -0.17037E-01 5380 0.951E-01 0.109E+00 RMM: 3 -0.353278403685E+03 0.80916E-02 -0.14583E-02 5689 0.243E-01 0.231E-01 RMM: 4 -0.353278175599E+03 0.22809E-03 -0.13164E-03 4692 0.825E-02 0.246E-01 RMM: 5 -0.353277784492E+03 0.39111E-03 -0.30654E-04 3945 0.456E-02 0.110E-01 RMM: 6 -0.353277719206E+03 0.65287E-04 -0.70790E-05 3483 0.231E-02 0.613E-02 RMM: 7 -0.353277697809E+03 0.21397E-04 -0.42795E-05 2820 0.193E-02 0.653E-02 RMM: 8 -0.353277668738E+03 0.29071E-04 -0.33588E-05 2593 0.167E-02 0.378E-02 RMM: 9 -0.353277679822E+03 -0.11084E-04 -0.28859E-05 2598 0.142E-02 9362 T= 8466. E= 0.70892689E+03 F= 0.63888793E+03 E0= 0.66909676E+03 EK= 0.70039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352401306262E+03 0.87636E+00 -0.27428E-01 9084 0.275E+01 0.275E-01 RMM: 2 -0.352421622036E+03 -0.20316E-01 -0.16489E-01 5415 0.905E-01 0.101E+00 RMM: 3 -0.352414228159E+03 0.73939E-02 -0.12780E-02 5802 0.220E-01 0.207E-01 RMM: 4 -0.352414246137E+03 -0.17978E-04 -0.12382E-03 4683 0.813E-02 0.290E-01 RMM: 5 -0.352413743787E+03 0.50235E-03 -0.34356E-04 4076 0.488E-02 0.106E-01 RMM: 6 -0.352413677457E+03 0.66331E-04 -0.74521E-05 3489 0.241E-02 0.480E-02 RMM: 7 -0.352413679379E+03 -0.19223E-05 -0.27201E-05 2583 0.152E-02 9363 T= 8435. E= 0.70957313E+03 F= 0.63979301E+03 E0= 0.66997517E+03 EK= 0.69780E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351354753648E+03 0.10589E+01 -0.27128E-01 8604 0.266E+01 0.202E-01 RMM: 2 -0.351373680128E+03 -0.18926E-01 -0.15602E-01 5549 0.845E-01 0.855E-01 RMM: 3 -0.351367369653E+03 0.63105E-02 -0.97091E-03 5626 0.208E-01 0.206E-01 RMM: 4 -0.351367105660E+03 0.26399E-03 -0.76036E-04 4772 0.587E-02 0.120E-01 RMM: 5 -0.351367012342E+03 0.93318E-04 -0.11005E-04 3834 0.260E-02 0.905E-02 RMM: 6 -0.351366991420E+03 0.20922E-04 -0.45739E-05 3129 0.193E-02 0.802E-02 RMM: 7 -0.351367016866E+03 -0.25446E-04 -0.14947E-04 3898 0.279E-02 0.118E-01 RMM: 8 -0.351366932026E+03 0.84840E-04 -0.75987E-05 3720 0.227E-02 0.364E-02 RMM: 9 -0.351366929565E+03 0.24610E-05 -0.16367E-05 2509 0.117E-02 9364 T= 7512. E= 0.70302531E+03 F= 0.64088073E+03 E0= 0.67103081E+03 EK= 0.62145E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350438749526E+03 0.92818E+00 -0.25043E-01 8748 0.245E+01 0.235E-01 RMM: 2 -0.350459657179E+03 -0.20908E-01 -0.17522E-01 5337 0.944E-01 0.887E-01 RMM: 3 -0.350453380852E+03 0.62763E-02 -0.13432E-02 5645 0.238E-01 0.241E-01 RMM: 4 -0.350453063253E+03 0.31760E-03 -0.11079E-03 4787 0.773E-02 0.190E-01 RMM: 5 -0.350452817286E+03 0.24597E-03 -0.24276E-04 3974 0.417E-02 0.931E-02 RMM: 6 -0.350452782974E+03 0.34312E-04 -0.66042E-05 3436 0.233E-02 0.645E-02 RMM: 7 -0.350452783551E+03 -0.57700E-06 -0.45688E-05 2861 0.188E-02 9365 T= 6298. E= 0.69393644E+03 F= 0.64183734E+03 E0= 0.67195631E+03 EK= 0.52099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349952876625E+03 0.49991E+00 -0.19970E-01 8688 0.225E+01 0.255E-01 RMM: 2 -0.349976170532E+03 -0.23294E-01 -0.15337E-01 5398 0.923E-01 0.122E+00 RMM: 3 -0.349965907792E+03 0.10263E-01 -0.13079E-02 5601 0.238E-01 0.265E-01 RMM: 4 -0.349965410466E+03 0.49733E-03 -0.10900E-03 4673 0.727E-02 0.158E-01 RMM: 5 -0.349965257571E+03 0.15290E-03 -0.18415E-04 3918 0.367E-02 0.111E-01 RMM: 6 -0.349965228208E+03 0.29363E-04 -0.58948E-05 3334 0.217E-02 0.103E-01 RMM: 7 -0.349965214244E+03 0.13964E-04 -0.16235E-04 3896 0.331E-02 9366 T= 5335. E= 0.68650268E+03 F= 0.64236925E+03 E0= 0.67246091E+03 EK= 0.44133E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350066925334E+03 -0.10170E+00 -0.14545E-01 8448 0.211E+01 0.243E-01 RMM: 2 -0.350085224004E+03 -0.18299E-01 -0.10391E-01 5371 0.766E-01 0.119E+00 RMM: 3 -0.350075375740E+03 0.98483E-02 -0.94468E-03 5461 0.208E-01 0.247E-01 RMM: 4 -0.350075035477E+03 0.34026E-03 -0.10497E-03 4652 0.730E-02 0.155E-01 RMM: 5 -0.350074881038E+03 0.15444E-03 -0.18774E-04 3896 0.363E-02 0.958E-02 RMM: 6 -0.350074839596E+03 0.41442E-04 -0.45543E-05 3108 0.203E-02 0.588E-02 RMM: 7 -0.350074854238E+03 -0.14642E-04 -0.38492E-05 2824 0.176E-02 9367 T= 4843. E= 0.68237300E+03 F= 0.64230487E+03 E0= 0.67237439E+03 EK= 0.40068E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350815876977E+03 -0.74104E+00 -0.12159E-01 7812 0.206E+01 0.186E-01 RMM: 2 -0.350826652308E+03 -0.10775E-01 -0.59663E-02 5300 0.579E-01 0.945E-01 RMM: 3 -0.350820643063E+03 0.60092E-02 -0.57302E-03 5427 0.165E-01 0.189E-01 RMM: 4 -0.350820418400E+03 0.22466E-03 -0.54646E-04 4599 0.497E-02 0.923E-02 RMM: 5 -0.350820360000E+03 0.58400E-04 -0.91221E-05 3831 0.265E-02 0.671E-02 RMM: 6 -0.350820342252E+03 0.17748E-04 -0.30714E-05 2817 0.165E-02 9368 T= 4856. E= 0.68177864E+03 F= 0.64160369E+03 E0= 0.67165646E+03 EK= 0.40175E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352127016420E+03 -0.13067E+01 -0.12832E-01 7908 0.213E+01 0.220E-01 RMM: 2 -0.352138714290E+03 -0.11698E-01 -0.48344E-02 5307 0.524E-01 0.111E+00 RMM: 3 -0.352130485612E+03 0.82287E-02 -0.60022E-03 5357 0.180E-01 0.168E-01 RMM: 4 -0.352130365432E+03 0.12018E-03 -0.63694E-04 4602 0.516E-02 0.120E-01 RMM: 5 -0.352130283031E+03 0.82401E-04 -0.95006E-05 3785 0.255E-02 0.725E-02 RMM: 6 -0.352130252574E+03 0.30457E-04 -0.26372E-05 2737 0.158E-02 0.386E-02 RMM: 7 -0.352130262509E+03 -0.99351E-05 -0.24189E-05 2540 0.145E-02 9369 T= 5356. E= 0.68464627E+03 F= 0.64033523E+03 E0= 0.67037356E+03 EK= 0.44311E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353823653170E+03 -0.16934E+01 -0.15168E-01 8772 0.228E+01 0.300E-01 RMM: 2 -0.353845010235E+03 -0.21357E-01 -0.79407E-02 5334 0.687E-01 0.156E+00 RMM: 3 -0.353829189216E+03 0.15821E-01 -0.96364E-03 5359 0.234E-01 0.290E-01 RMM: 4 -0.353828678037E+03 0.51118E-03 -0.13099E-03 4635 0.787E-02 0.139E-01 RMM: 5 -0.353828612837E+03 0.65200E-04 -0.21393E-04 3884 0.388E-02 0.118E-01 RMM: 6 -0.353828520696E+03 0.92140E-04 -0.55744E-05 3306 0.223E-02 0.384E-02 RMM: 7 -0.353828520733E+03 -0.36307E-07 -0.19725E-05 2525 0.136E-02 9370 T= 6275. E= 0.69058644E+03 F= 0.63867440E+03 E0= 0.66870036E+03 EK= 0.51912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355625492524E+03 -0.17970E+01 -0.18660E-01 9060 0.247E+01 0.281E-01 RMM: 2 -0.355644475246E+03 -0.18983E-01 -0.11804E-01 5389 0.815E-01 0.122E+00 RMM: 3 -0.355634812344E+03 0.96629E-02 -0.10907E-02 5484 0.223E-01 0.265E-01 RMM: 4 -0.355634511420E+03 0.30092E-03 -0.12446E-03 4619 0.802E-02 0.223E-01 RMM: 5 -0.355634161992E+03 0.34943E-03 -0.28311E-04 3924 0.456E-02 0.965E-02 RMM: 6 -0.355634115600E+03 0.46392E-04 -0.55197E-05 3288 0.212E-02 0.664E-02 RMM: 7 -0.355634088453E+03 0.27147E-04 -0.40909E-05 2638 0.184E-02 0.690E-02 RMM: 8 -0.355634052268E+03 0.36184E-04 -0.47243E-05 2994 0.190E-02 0.402E-02 RMM: 9 -0.355634066745E+03 -0.14476E-04 -0.43479E-05 2997 0.170E-02 9371 T= 7374. E= 0.69790738E+03 F= 0.63690218E+03 E0= 0.66691333E+03 EK= 0.61005E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357194475188E+03 -0.15604E+01 -0.22094E-01 9096 0.263E+01 0.312E-01 RMM: 2 -0.357214406064E+03 -0.19931E-01 -0.15532E-01 5392 0.930E-01 0.110E+00 RMM: 3 -0.357206589611E+03 0.78165E-02 -0.13784E-02 5649 0.235E-01 0.257E-01 RMM: 4 -0.357206505079E+03 0.84532E-04 -0.15193E-03 4645 0.933E-02 0.313E-01 RMM: 5 -0.357205847704E+03 0.65737E-03 -0.45008E-04 4445 0.562E-02 0.951E-02 RMM: 6 -0.357205799871E+03 0.47833E-04 -0.80551E-05 3589 0.233E-02 0.607E-02 RMM: 7 -0.357205780037E+03 0.19834E-04 -0.29084E-05 2597 0.160E-02 9372 T= 8162. E= 0.70288241E+03 F= 0.63536059E+03 E0= 0.66534850E+03 EK= 0.67522E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358260203630E+03 -0.10544E+01 -0.23092E-01 9060 0.268E+01 0.222E-01 RMM: 2 -0.358277915929E+03 -0.17712E-01 -0.14240E-01 5423 0.839E-01 0.917E-01 RMM: 3 -0.358271941742E+03 0.59742E-02 -0.10869E-02 5769 0.202E-01 0.225E-01 RMM: 4 -0.358271545674E+03 0.39607E-03 -0.82883E-04 4685 0.649E-02 0.157E-01 RMM: 5 -0.358271361746E+03 0.18393E-03 -0.16155E-04 3892 0.336E-02 0.977E-02 RMM: 6 -0.358271338135E+03 0.23611E-04 -0.39874E-05 2954 0.183E-02 0.948E-02 RMM: 7 -0.358271263207E+03 0.74928E-04 -0.16612E-04 3893 0.324E-02 0.869E-02 RMM: 8 -0.358271220090E+03 0.43117E-04 -0.11686E-04 3888 0.269E-02 0.533E-02 RMM: 9 -0.358271230927E+03 -0.10837E-04 -0.44184E-05 3066 0.188E-02 9373 T= 8153. E= 0.70177428E+03 F= 0.63432338E+03 E0= 0.66428306E+03 EK= 0.67451E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358757248591E+03 -0.48603E+00 -0.22224E-01 8784 0.259E+01 0.238E-01 RMM: 2 -0.358772502350E+03 -0.15254E-01 -0.12848E-01 5175 0.775E-01 0.819E-01 RMM: 3 -0.358767137684E+03 0.53647E-02 -0.10405E-02 5760 0.204E-01 0.161E-01 RMM: 4 -0.358767322723E+03 -0.18504E-03 -0.96875E-04 4683 0.722E-02 0.275E-01 RMM: 5 -0.358766830019E+03 0.49270E-03 -0.26114E-04 3939 0.429E-02 0.668E-02 RMM: 6 -0.358766805665E+03 0.24354E-04 -0.41794E-05 3076 0.191E-02 0.400E-02 RMM: 7 -0.358766808287E+03 -0.26227E-05 -0.25040E-05 2574 0.147E-02 9374 T= 7359. E= 0.69473299E+03 F= 0.63385548E+03 E0= 0.66378036E+03 EK= 0.60878E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358832914427E+03 -0.66109E-01 -0.20292E-01 8664 0.241E+01 0.185E-01 RMM: 2 -0.358846736926E+03 -0.13822E-01 -0.11636E-01 5343 0.737E-01 0.734E-01 RMM: 3 -0.358842239570E+03 0.44974E-02 -0.85004E-03 5936 0.183E-01 0.154E-01 RMM: 4 -0.358842052544E+03 0.18703E-03 -0.57280E-04 4671 0.538E-02 0.138E-01 RMM: 5 -0.358841932136E+03 0.12041E-03 -0.11402E-04 3848 0.296E-02 0.671E-02 RMM: 6 -0.358841917863E+03 0.14272E-04 -0.30397E-05 2771 0.163E-02 9375 T= 6267. E= 0.68565667E+03 F= 0.63380815E+03 E0= 0.66370109E+03 EK= 0.51849E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358719814988E+03 0.12212E+00 -0.17469E-01 8976 0.221E+01 0.278E-01 RMM: 2 -0.358747198449E+03 -0.27383E-01 -0.11561E-01 5384 0.754E-01 0.164E+00 RMM: 3 -0.358728843333E+03 0.18355E-01 -0.11487E-02 5393 0.244E-01 0.272E-01 RMM: 4 -0.358728335311E+03 0.50802E-03 -0.12678E-03 4715 0.720E-02 0.115E-01 RMM: 5 -0.358728270232E+03 0.65079E-04 -0.18221E-04 3886 0.360E-02 0.900E-02 RMM: 6 -0.358728223832E+03 0.46401E-04 -0.48366E-05 3132 0.206E-02 0.569E-02 RMM: 7 -0.358728237256E+03 -0.13425E-04 -0.40533E-05 2962 0.189E-02 9376 T= 5354. E= 0.67824409E+03 F= 0.63394953E+03 E0= 0.66381543E+03 EK= 0.44295E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358616069473E+03 0.11215E+00 -0.14665E-01 9036 0.207E+01 0.264E-01 RMM: 2 -0.358637403085E+03 -0.21334E-01 -0.96406E-02 5389 0.704E-01 0.143E+00 RMM: 3 -0.358623508545E+03 0.13895E-01 -0.98250E-03 5389 0.227E-01 0.291E-01 RMM: 4 -0.358622941326E+03 0.56722E-03 -0.12065E-03 4669 0.734E-02 0.105E-01 RMM: 5 -0.358622886873E+03 0.54453E-04 -0.17732E-04 3878 0.352E-02 0.102E-01 RMM: 6 -0.358622829240E+03 0.57633E-04 -0.49991E-05 3198 0.211E-02 0.496E-02 RMM: 7 -0.358622838764E+03 -0.95235E-05 -0.30959E-05 2656 0.161E-02 9377 T= 4838. E= 0.67410709E+03 F= 0.63408153E+03 E0= 0.66392903E+03 EK= 0.40026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358641745789E+03 -0.18917E-01 -0.12906E-01 8832 0.202E+01 0.226E-01 RMM: 2 -0.358658134144E+03 -0.16388E-01 -0.77740E-02 5317 0.615E-01 0.123E+00 RMM: 3 -0.358647711552E+03 0.10423E-01 -0.78918E-03 5415 0.197E-01 0.207E-01 RMM: 4 -0.358647401416E+03 0.31014E-03 -0.79439E-04 4712 0.567E-02 0.927E-02 RMM: 5 -0.358647373941E+03 0.27475E-04 -0.12230E-04 3856 0.292E-02 0.806E-02 RMM: 6 -0.358647332811E+03 0.41131E-04 -0.35371E-05 2972 0.179E-02 0.402E-02 RMM: 7 -0.358647343415E+03 -0.10605E-04 -0.19392E-05 2543 0.129E-02 9378 T= 4772. E= 0.67355668E+03 F= 0.63408112E+03 E0= 0.66391997E+03 EK= 0.39476E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358849227903E+03 -0.20190E+00 -0.12523E-01 8748 0.205E+01 0.160E-01 RMM: 2 -0.358858694291E+03 -0.94664E-02 -0.64376E-02 5239 0.552E-01 0.773E-01 RMM: 3 -0.358854382298E+03 0.43120E-02 -0.56216E-03 5481 0.157E-01 0.161E-01 RMM: 4 -0.358854207571E+03 0.17473E-03 -0.49977E-04 4352 0.462E-02 0.811E-02 RMM: 5 -0.358854180945E+03 0.26625E-04 -0.74849E-05 3527 0.236E-02 0.688E-02 RMM: 6 -0.358854151953E+03 0.28993E-04 -0.25762E-05 2703 0.157E-02 0.308E-02 RMM: 7 -0.358854153791E+03 -0.18380E-05 -0.16339E-05 2492 0.120E-02 9379 T= 5162. E= 0.67660000E+03 F= 0.63389476E+03 E0= 0.66373546E+03 EK= 0.42705E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359229386593E+03 -0.37523E+00 -0.13900E-01 8208 0.218E+01 0.175E-01 RMM: 2 -0.359240996733E+03 -0.11610E-01 -0.80792E-02 5086 0.644E-01 0.838E-01 RMM: 3 -0.359236088441E+03 0.49083E-02 -0.80053E-03 5640 0.175E-01 0.167E-01 RMM: 4 -0.359235846509E+03 0.24193E-03 -0.62237E-04 4512 0.555E-02 0.103E-01 RMM: 5 -0.359235796416E+03 0.50093E-04 -0.11165E-04 3783 0.280E-02 0.765E-02 RMM: 6 -0.359235758961E+03 0.37455E-04 -0.27798E-05 2749 0.162E-02 0.313E-02 RMM: 7 -0.359235758372E+03 0.58893E-06 -0.14141E-05 2485 0.111E-02 9380 T= 5990. E= 0.68308151E+03 F= 0.63352957E+03 E0= 0.66338312E+03 EK= 0.49552E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359712952954E+03 -0.47719E+00 -0.15874E-01 8400 0.236E+01 0.186E-01 RMM: 2 -0.359725111008E+03 -0.12158E-01 -0.93574E-02 5205 0.716E-01 0.814E-01 RMM: 3 -0.359720769925E+03 0.43411E-02 -0.86767E-03 5730 0.180E-01 0.173E-01 RMM: 4 -0.359720550979E+03 0.21895E-03 -0.64502E-04 4638 0.590E-02 0.150E-01 RMM: 5 -0.359720391449E+03 0.15953E-03 -0.14792E-04 3871 0.330E-02 0.663E-02 RMM: 6 -0.359720371356E+03 0.20093E-04 -0.30193E-05 2754 0.164E-02 0.518E-02 RMM: 7 -0.359720347220E+03 0.24135E-04 -0.34311E-05 2564 0.175E-02 0.449E-02 RMM: 8 -0.359720333768E+03 0.13453E-04 -0.18569E-05 2491 0.120E-02 9381 T= 7109. E= 0.69186757E+03 F= 0.63305773E+03 E0= 0.66293559E+03 EK= 0.58810E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360170077852E+03 -0.44973E+00 -0.18947E-01 8172 0.255E+01 0.239E-01 RMM: 2 -0.360186937732E+03 -0.16860E-01 -0.12744E-01 5225 0.848E-01 0.986E-01 RMM: 3 -0.360180772983E+03 0.61647E-02 -0.11892E-02 5627 0.211E-01 0.193E-01 RMM: 4 -0.360180628003E+03 0.14498E-03 -0.10717E-03 4673 0.785E-02 0.228E-01 RMM: 5 -0.360180279382E+03 0.34862E-03 -0.26364E-04 3916 0.433E-02 0.774E-02 RMM: 6 -0.360180246793E+03 0.32589E-04 -0.51855E-05 3224 0.204E-02 0.527E-02 RMM: 7 -0.360180230407E+03 0.16386E-04 -0.30297E-05 2527 0.170E-02 9382 T= 8108. E= 0.69968005E+03 F= 0.63260769E+03 E0= 0.66251922E+03 EK= 0.67072E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360470733946E+03 -0.29049E+00 -0.20719E-01 8136 0.265E+01 0.239E-01 RMM: 2 -0.360489160488E+03 -0.18427E-01 -0.13058E-01 5265 0.867E-01 0.109E+00 RMM: 3 -0.360481608030E+03 0.75525E-02 -0.11925E-02 5572 0.224E-01 0.225E-01 RMM: 4 -0.360481239629E+03 0.36840E-03 -0.99851E-04 4697 0.712E-02 0.167E-01 RMM: 5 -0.360481036771E+03 0.20286E-03 -0.20612E-04 3892 0.392E-02 0.802E-02 RMM: 6 -0.360481012233E+03 0.24537E-04 -0.41416E-05 2971 0.186E-02 0.721E-02 RMM: 7 -0.360480977284E+03 0.34949E-04 -0.65480E-05 3625 0.230E-02 0.699E-02 RMM: 8 -0.360480936972E+03 0.40313E-04 -0.33744E-05 2615 0.165E-02 0.370E-02 RMM: 9 -0.360480940959E+03 -0.39877E-05 -0.36905E-05 2759 0.170E-02 9383 T= 8419. E= 0.70196019E+03 F= 0.63231472E+03 E0= 0.66226614E+03 EK= 0.69645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360558062699E+03 -0.77126E-01 -0.20572E-01 7968 0.262E+01 0.227E-01 RMM: 2 -0.360572422971E+03 -0.14360E-01 -0.12332E-01 5147 0.814E-01 0.806E-01 RMM: 3 -0.360568203018E+03 0.42200E-02 -0.11676E-02 5850 0.197E-01 0.154E-01 RMM: 4 -0.360568234050E+03 -0.31032E-04 -0.91988E-04 4686 0.746E-02 0.251E-01 RMM: 5 -0.360567830624E+03 0.40343E-03 -0.25464E-04 3934 0.430E-02 0.645E-02 RMM: 6 -0.360567810416E+03 0.20208E-04 -0.42557E-05 3101 0.191E-02 0.420E-02 RMM: 7 -0.360567807521E+03 0.28942E-05 -0.21571E-05 2520 0.142E-02 9384 T= 7829. E= 0.69700296E+03 F= 0.63223400E+03 E0= 0.66222432E+03 EK= 0.64769E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360495044375E+03 0.72766E-01 -0.18634E-01 7788 0.247E+01 0.166E-01 RMM: 2 -0.360506579518E+03 -0.11535E-01 -0.97376E-02 5108 0.713E-01 0.691E-01 RMM: 3 -0.360503187677E+03 0.33918E-02 -0.91542E-03 5955 0.179E-01 0.137E-01 RMM: 4 -0.360502979468E+03 0.20821E-03 -0.45818E-04 4620 0.498E-02 0.113E-01 RMM: 5 -0.360502898317E+03 0.81151E-04 -0.80866E-05 3572 0.254E-02 0.600E-02 RMM: 6 -0.360502888997E+03 0.93200E-05 -0.26881E-05 2608 0.153E-02 9385 T= 6730. E= 0.68798068E+03 F= 0.63230342E+03 E0= 0.66232707E+03 EK= 0.55677E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360405465871E+03 0.97432E-01 -0.16529E-01 7920 0.228E+01 0.272E-01 RMM: 2 -0.360431546897E+03 -0.26081E-01 -0.10128E-01 5012 0.748E-01 0.163E+00 RMM: 3 -0.360413621986E+03 0.17925E-01 -0.12635E-02 5389 0.257E-01 0.273E-01 RMM: 4 -0.360413147696E+03 0.47429E-03 -0.12907E-03 4700 0.739E-02 0.998E-02 RMM: 5 -0.360413103520E+03 0.44175E-04 -0.16966E-04 3886 0.348E-02 0.866E-02 RMM: 6 -0.360413062411E+03 0.41109E-04 -0.37994E-05 2892 0.184E-02 0.446E-02 RMM: 7 -0.360413070070E+03 -0.76586E-05 -0.25984E-05 2541 0.160E-02 9386 T= 5679. E= 0.67937487E+03 F= 0.63239555E+03 E0= 0.66244541E+03 EK= 0.46979E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360408858574E+03 0.42038E-02 -0.14251E-01 7836 0.213E+01 0.245E-01 RMM: 2 -0.360429506443E+03 -0.20648E-01 -0.79593E-02 5162 0.658E-01 0.146E+00 RMM: 3 -0.360415093296E+03 0.14413E-01 -0.93798E-03 5382 0.223E-01 0.245E-01 RMM: 4 -0.360414731154E+03 0.36214E-03 -0.11200E-03 4641 0.715E-02 0.112E-01 RMM: 5 -0.360414663996E+03 0.67158E-04 -0.15651E-04 3877 0.336E-02 0.844E-02 RMM: 6 -0.360414623410E+03 0.40587E-04 -0.31659E-05 2748 0.172E-02 0.380E-02 RMM: 7 -0.360414629581E+03 -0.61716E-05 -0.23157E-05 2541 0.141E-02 9387 T= 4990. E= 0.67367466E+03 F= 0.63239321E+03 E0= 0.66246311E+03 EK= 0.41281E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360570184952E+03 -0.15556E+00 -0.13270E-01 7956 0.204E+01 0.186E-01 RMM: 2 -0.360581481561E+03 -0.11297E-01 -0.68307E-02 5069 0.600E-01 0.926E-01 RMM: 3 -0.360575605686E+03 0.58759E-02 -0.71341E-03 5484 0.178E-01 0.146E-01 RMM: 4 -0.360575489651E+03 0.11603E-03 -0.57635E-04 4680 0.503E-02 0.109E-01 RMM: 5 -0.360575422562E+03 0.67089E-04 -0.94014E-05 3752 0.265E-02 0.697E-02 RMM: 6 -0.360575394327E+03 0.28235E-04 -0.27117E-05 2714 0.157E-02 0.352E-02 RMM: 7 -0.360575399709E+03 -0.53814E-05 -0.19746E-05 2522 0.132E-02 9388 T= 4751. E= 0.67153156E+03 F= 0.63222773E+03 E0= 0.66231201E+03 EK= 0.39304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360906539596E+03 -0.33115E+00 -0.12945E-01 7896 0.206E+01 0.136E-01 RMM: 2 -0.360913178406E+03 -0.66388E-02 -0.51370E-02 5157 0.514E-01 0.606E-01 RMM: 3 -0.360910573510E+03 0.26049E-02 -0.48129E-03 5695 0.137E-01 0.112E-01 RMM: 4 -0.360910499527E+03 0.73983E-04 -0.33231E-04 4201 0.403E-02 0.103E-01 RMM: 5 -0.360910431386E+03 0.68141E-04 -0.58117E-05 3319 0.227E-02 0.441E-02 RMM: 6 -0.360910420976E+03 0.10410E-04 -0.18098E-05 2523 0.127E-02 9389 T= 4967. E= 0.67297828E+03 F= 0.63188383E+03 E0= 0.66198006E+03 EK= 0.41094E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361379389232E+03 -0.46896E+00 -0.14100E-01 8124 0.216E+01 0.190E-01 RMM: 2 -0.361391410345E+03 -0.12021E-01 -0.56419E-02 5236 0.543E-01 0.108E+00 RMM: 3 -0.361383583401E+03 0.78269E-02 -0.59913E-03 5389 0.174E-01 0.161E-01 RMM: 4 -0.361383409078E+03 0.17432E-03 -0.59377E-04 4680 0.481E-02 0.786E-02 RMM: 5 -0.361383368615E+03 0.40463E-04 -0.72743E-05 3582 0.233E-02 0.612E-02 RMM: 6 -0.361383346199E+03 0.22416E-04 -0.20684E-05 2542 0.137E-02 0.399E-02 RMM: 7 -0.361383348667E+03 -0.24676E-05 -0.22474E-05 2534 0.140E-02 9390 T= 5626. E= 0.67794191E+03 F= 0.63139840E+03 E0= 0.66150412E+03 EK= 0.46544E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361889923655E+03 -0.50658E+00 -0.16228E-01 8364 0.233E+01 0.203E-01 RMM: 2 -0.361901253120E+03 -0.11329E-01 -0.69356E-02 5309 0.637E-01 0.956E-01 RMM: 3 -0.361895263366E+03 0.59898E-02 -0.66588E-03 5451 0.179E-01 0.211E-01 RMM: 4 -0.361894998381E+03 0.26498E-03 -0.73428E-04 4617 0.600E-02 0.123E-01 RMM: 5 -0.361894895851E+03 0.10253E-03 -0.14423E-04 3857 0.328E-02 0.728E-02 RMM: 6 -0.361894865216E+03 0.30635E-04 -0.29013E-05 2717 0.164E-02 0.457E-02 RMM: 7 -0.361894859640E+03 0.55757E-05 -0.24413E-05 2522 0.149E-02 9391 T= 6639. E= 0.68579101E+03 F= 0.63087174E+03 E0= 0.66098489E+03 EK= 0.54919E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362274307192E+03 -0.37944E+00 -0.19935E-01 8448 0.253E+01 0.207E-01 RMM: 2 -0.362289049728E+03 -0.14743E-01 -0.10684E-01 5268 0.785E-01 0.979E-01 RMM: 3 -0.362282967362E+03 0.60824E-02 -0.97842E-03 5648 0.198E-01 0.171E-01 RMM: 4 -0.362282754957E+03 0.21241E-03 -0.72616E-04 4640 0.611E-02 0.160E-01 RMM: 5 -0.362282571979E+03 0.18298E-03 -0.15119E-04 3862 0.330E-02 0.761E-02 RMM: 6 -0.362282547708E+03 0.24271E-04 -0.36982E-05 2903 0.175E-02 0.680E-02 RMM: 7 -0.362282499662E+03 0.48045E-04 -0.58974E-05 3327 0.219E-02 0.519E-02 RMM: 8 -0.362282481199E+03 0.18463E-04 -0.21340E-05 2502 0.128E-02 9392 T= 7705. E= 0.69420804E+03 F= 0.63046723E+03 E0= 0.66058686E+03 EK= 0.63741E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362363293428E+03 -0.80794E-01 -0.22476E-01 8268 0.267E+01 0.191E-01 RMM: 2 -0.362375796546E+03 -0.12503E-01 -0.10866E-01 5225 0.787E-01 0.720E-01 RMM: 3 -0.362372388610E+03 0.34079E-02 -0.98302E-03 5739 0.188E-01 0.182E-01 RMM: 4 -0.362372187036E+03 0.20157E-03 -0.74648E-04 4631 0.674E-02 0.182E-01 RMM: 5 -0.362371961379E+03 0.22566E-03 -0.17622E-04 3878 0.357E-02 0.740E-02 RMM: 6 -0.362371934987E+03 0.26392E-04 -0.35105E-05 2889 0.176E-02 0.552E-02 RMM: 7 -0.362371913902E+03 0.21084E-04 -0.35868E-05 2557 0.182E-02 0.515E-02 RMM: 8 -0.362371895884E+03 0.18019E-04 -0.15280E-05 2485 0.114E-02 9393 T= 8298. E= 0.69900505E+03 F= 0.63035946E+03 E0= 0.66048406E+03 EK= 0.68646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.362077757955E+03 0.29416E+00 -0.23183E-01 8088 0.269E+01 0.221E-01 RMM: 2 -0.362094925249E+03 -0.17167E-01 -0.10144E-01 5117 0.755E-01 0.116E+00 RMM: 3 -0.362085880909E+03 0.90443E-02 -0.10171E-02 5469 0.221E-01 0.218E-01 RMM: 4 -0.362085580174E+03 0.30074E-03 -0.88132E-04 4647 0.648E-02 0.110E-01 RMM: 5 -0.362085489716E+03 0.90458E-04 -0.12669E-04 3876 0.311E-02 0.685E-02 RMM: 6 -0.362085473678E+03 0.16038E-04 -0.28807E-05 2618 0.161E-02 9394 T= 8036. E= 0.69710094E+03 F= 0.63062556E+03 E0= 0.66075284E+03 EK= 0.66475E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.361510848888E+03 0.57464E+00 -0.22409E-01 7896 0.257E+01 0.309E-01 RMM: 2 -0.361539708165E+03 -0.28859E-01 -0.11271E-01 5057 0.809E-01 0.173E+00 RMM: 3 -0.361519540395E+03 0.20168E-01 -0.14018E-02 5356 0.276E-01 0.294E-01 RMM: 4 -0.361519029775E+03 0.51062E-03 -0.14548E-03 4814 0.810E-02 0.135E-01 RMM: 5 -0.361518952105E+03 0.77670E-04 -0.18134E-04 3902 0.340E-02 0.115E-01 RMM: 6 -0.361518886035E+03 0.66070E-04 -0.58880E-05 3305 0.224E-02 0.669E-02 RMM: 7 -0.361518934619E+03 -0.48583E-04 -0.78877E-05 3687 0.239E-02 0.114E-01 RMM: 8 -0.361518860468E+03 0.74151E-04 -0.11198E-04 3885 0.245E-02 0.496E-02 RMM: 9 -0.361518848067E+03 0.12401E-04 -0.21628E-05 2605 0.137E-02 9395 T= 7099. E= 0.68989947E+03 F= 0.63116881E+03 E0= 0.66129905E+03 EK= 0.58731E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360874174205E+03 0.64469E+00 -0.19721E-01 7884 0.239E+01 0.307E-01 RMM: 2 -0.360895195436E+03 -0.21021E-01 -0.12050E-01 5117 0.854E-01 0.129E+00 RMM: 3 -0.360883805606E+03 0.11390E-01 -0.13488E-02 5401 0.258E-01 0.299E-01 RMM: 4 -0.360883487398E+03 0.31821E-03 -0.17123E-03 4908 0.947E-02 0.225E-01 RMM: 5 -0.360883213455E+03 0.27394E-03 -0.33021E-04 4060 0.466E-02 0.140E-01 RMM: 6 -0.360883095855E+03 0.11760E-03 -0.87249E-05 3684 0.269E-02 0.447E-02 RMM: 7 -0.360883103689E+03 -0.78337E-05 -0.31642E-05 2763 0.166E-02 9396 T= 6026. E= 0.68162401E+03 F= 0.63177680E+03 E0= 0.66190993E+03 EK= 0.49847E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360365332299E+03 0.51776E+00 -0.16207E-01 7536 0.221E+01 0.275E-01 RMM: 2 -0.360383640108E+03 -0.18308E-01 -0.10649E-01 5197 0.827E-01 0.125E+00 RMM: 3 -0.360373733172E+03 0.99069E-02 -0.10692E-02 5396 0.229E-01 0.247E-01 RMM: 4 -0.360373490014E+03 0.24316E-03 -0.12851E-03 4708 0.834E-02 0.200E-01 RMM: 5 -0.360373231194E+03 0.25882E-03 -0.26066E-04 3948 0.436E-02 0.946E-02 RMM: 6 -0.360373185724E+03 0.45470E-04 -0.45642E-05 3082 0.201E-02 0.523E-02 RMM: 7 -0.360373185895E+03 -0.17183E-06 -0.41291E-05 2716 0.191E-02 9397 T= 5222. E= 0.67545504E+03 F= 0.63225356E+03 E0= 0.66239124E+03 EK= 0.43201E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360090932079E+03 0.28225E+00 -0.14033E-01 7680 0.210E+01 0.214E-01 RMM: 2 -0.360101533346E+03 -0.10601E-01 -0.73864E-02 5043 0.682E-01 0.858E-01 RMM: 3 -0.360096712570E+03 0.48208E-02 -0.76157E-03 5423 0.183E-01 0.149E-01 RMM: 4 -0.360096803453E+03 -0.90883E-04 -0.78684E-04 4645 0.674E-02 0.216E-01 RMM: 5 -0.360096502455E+03 0.30100E-03 -0.19344E-04 3876 0.373E-02 0.645E-02 RMM: 6 -0.360096479544E+03 0.22912E-04 -0.30042E-05 2824 0.166E-02 0.339E-02 RMM: 7 -0.360096479140E+03 0.40411E-06 -0.17791E-05 2501 0.129E-02 9398 T= 4844. E= 0.67256744E+03 F= 0.63249148E+03 E0= 0.66263696E+03 EK= 0.40076E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360064905077E+03 0.31574E-01 -0.13957E-01 7836 0.207E+01 0.160E-01 RMM: 2 -0.360074047984E+03 -0.91429E-02 -0.75131E-02 4859 0.653E-01 0.647E-01 RMM: 3 -0.360071152957E+03 0.28950E-02 -0.80617E-03 5747 0.173E-01 0.131E-01 RMM: 4 -0.360071051467E+03 0.10149E-03 -0.50496E-04 4528 0.533E-02 0.139E-01 RMM: 5 -0.360070933161E+03 0.11831E-03 -0.98038E-05 3670 0.272E-02 0.650E-02 RMM: 6 -0.360070909627E+03 0.23535E-04 -0.26425E-05 2625 0.157E-02 0.337E-02 RMM: 7 -0.360070912620E+03 -0.29931E-05 -0.22329E-05 2531 0.139E-02 9399 T= 4918. E= 0.67315843E+03 F= 0.63247351E+03 E0= 0.66263096E+03 EK= 0.40685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360241888302E+03 -0.17098E+00 -0.14230E-01 8352 0.213E+01 0.146E-01 RMM: 2 -0.360250276807E+03 -0.83885E-02 -0.64247E-02 5206 0.567E-01 0.673E-01 RMM: 3 -0.360247052040E+03 0.32248E-02 -0.58118E-03 5640 0.150E-01 0.131E-01 RMM: 4 -0.360246934347E+03 0.11769E-03 -0.41849E-04 4287 0.459E-02 0.100E-01 RMM: 5 -0.360246869811E+03 0.64536E-04 -0.70275E-05 3462 0.239E-02 0.590E-02 RMM: 6 -0.360246859014E+03 0.10796E-04 -0.22774E-05 2561 0.143E-02 9400 T= 5435. E= 0.67721142E+03 F= 0.63225112E+03 E0= 0.66242584E+03 EK= 0.44960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360511741804E+03 -0.26487E+00 -0.16723E-01 8724 0.226E+01 0.218E-01 RMM: 2 -0.360530293803E+03 -0.18552E-01 -0.91326E-02 5251 0.667E-01 0.129E+00 RMM: 3 -0.360519074219E+03 0.11220E-01 -0.91769E-03 5370 0.213E-01 0.207E-01 RMM: 4 -0.360518813417E+03 0.26080E-03 -0.94502E-04 4888 0.579E-02 0.100E-01 RMM: 5 -0.360518741620E+03 0.71797E-04 -0.89793E-05 3746 0.257E-02 0.753E-02 RMM: 6 -0.360518727498E+03 0.14122E-04 -0.23361E-05 2552 0.141E-02 9401 T= 6335. E= 0.68434223E+03 F= 0.63193193E+03 E0= 0.66212800E+03 EK= 0.52410E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360719994043E+03 -0.20125E+00 -0.20165E-01 8808 0.244E+01 0.340E-01 RMM: 2 -0.360758030111E+03 -0.38036E-01 -0.13355E-01 5231 0.835E-01 0.204E+00 RMM: 3 -0.360730483606E+03 0.27547E-01 -0.16740E-02 5364 0.306E-01 0.381E-01 RMM: 4 -0.360729481960E+03 0.10016E-02 -0.19362E-03 4798 0.889E-02 0.122E-01 RMM: 5 -0.360729399556E+03 0.82404E-04 -0.19650E-04 4121 0.321E-02 0.103E-01 RMM: 6 -0.360729370213E+03 0.29343E-04 -0.29441E-05 2555 0.163E-02 0.958E-02 RMM: 7 -0.360729361857E+03 0.83562E-05 -0.10578E-04 3851 0.265E-02 9402 T= 7395. E= 0.69284884E+03 F= 0.63167438E+03 E0= 0.66189642E+03 EK= 0.61174E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360690744056E+03 0.38626E-01 -0.23091E-01 9084 0.258E+01 0.286E-01 RMM: 2 -0.360720458515E+03 -0.29714E-01 -0.14737E-01 5256 0.855E-01 0.161E+00 RMM: 3 -0.360703147421E+03 0.17311E-01 -0.15559E-02 5395 0.276E-01 0.329E-01 RMM: 4 -0.360702501271E+03 0.64615E-03 -0.18513E-03 4791 0.897E-02 0.165E-01 RMM: 5 -0.360702326291E+03 0.17498E-03 -0.28899E-04 3923 0.447E-02 0.111E-01 RMM: 6 -0.360702261165E+03 0.65126E-04 -0.70997E-05 3525 0.234E-02 0.692E-02 RMM: 7 -0.360702260692E+03 0.47278E-06 -0.41538E-05 2891 0.186E-02 9403 T= 8149. E= 0.69906911E+03 F= 0.63165495E+03 E0= 0.66190364E+03 EK= 0.67414E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360308851730E+03 0.39341E+00 -0.25559E-01 8664 0.262E+01 0.258E-01 RMM: 2 -0.360339146362E+03 -0.30295E-01 -0.18951E-01 5070 0.954E-01 0.144E+00 RMM: 3 -0.360325034398E+03 0.14112E-01 -0.18712E-02 5571 0.274E-01 0.253E-01 RMM: 4 -0.360324472423E+03 0.56198E-03 -0.13765E-03 4925 0.759E-02 0.130E-01 RMM: 5 -0.360324361438E+03 0.11098E-03 -0.18771E-04 3908 0.365E-02 0.904E-02 RMM: 6 -0.360324332230E+03 0.29208E-04 -0.46688E-05 3060 0.195E-02 0.781E-02 RMM: 7 -0.360324328390E+03 0.38402E-05 -0.58453E-05 3356 0.207E-02 9404 T= 8140. E= 0.69932886E+03 F= 0.63198538E+03 E0= 0.66225382E+03 EK= 0.67343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.359612019148E+03 0.71231E+00 -0.24074E-01 8580 0.254E+01 0.181E-01 RMM: 2 -0.359629425436E+03 -0.17406E-01 -0.15495E-01 5349 0.804E-01 0.692E-01 RMM: 3 -0.359624879502E+03 0.45459E-02 -0.12016E-02 5773 0.204E-01 0.130E-01 RMM: 4 -0.359624745569E+03 0.13393E-03 -0.71509E-04 4704 0.574E-02 0.165E-01 RMM: 5 -0.359624584539E+03 0.16103E-03 -0.13317E-04 3876 0.317E-02 0.690E-02 RMM: 6 -0.359624571633E+03 0.12907E-04 -0.41485E-05 3056 0.183E-02 9405 T= 7375. E= 0.69364324E+03 F= 0.63263445E+03 E0= 0.66291548E+03 EK= 0.61009E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358747726832E+03 0.87686E+00 -0.21742E-01 8580 0.237E+01 0.319E-01 RMM: 2 -0.358785036913E+03 -0.37310E-01 -0.14323E-01 5169 0.810E-01 0.194E+00 RMM: 3 -0.358759106572E+03 0.25930E-01 -0.15521E-02 5380 0.283E-01 0.323E-01 RMM: 4 -0.358758422589E+03 0.68398E-03 -0.18812E-03 4907 0.907E-02 0.131E-01 RMM: 5 -0.358758424725E+03 -0.21363E-05 -0.26065E-04 3908 0.393E-02 0.141E-01 RMM: 6 -0.358758297936E+03 0.12679E-03 -0.68486E-05 3422 0.238E-02 0.496E-02 RMM: 7 -0.358758297863E+03 0.73336E-07 -0.27425E-05 2639 0.157E-02 9406 T= 6314. E= 0.68568029E+03 F= 0.63344459E+03 E0= 0.66372676E+03 EK= 0.52236E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357901943710E+03 0.85635E+00 -0.18065E-01 8568 0.219E+01 0.334E-01 RMM: 2 -0.357932551647E+03 -0.30608E-01 -0.11747E-01 5356 0.771E-01 0.180E+00 RMM: 3 -0.357910772167E+03 0.21779E-01 -0.12780E-02 5359 0.267E-01 0.339E-01 RMM: 4 -0.357910177823E+03 0.59434E-03 -0.19298E-03 4787 0.970E-02 0.189E-01 RMM: 5 -0.357910088834E+03 0.88988E-04 -0.32210E-04 3928 0.460E-02 0.169E-01 RMM: 6 -0.357909907425E+03 0.18141E-03 -0.10742E-04 3830 0.298E-02 0.432E-02 RMM: 7 -0.357909903161E+03 0.42634E-05 -0.20069E-05 2551 0.132E-02 9407 T= 5420. E= 0.67906567E+03 F= 0.63422989E+03 E0= 0.66450603E+03 EK= 0.44836E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357208726302E+03 0.70118E+00 -0.15432E-01 8640 0.206E+01 0.261E-01 RMM: 2 -0.357228132735E+03 -0.19406E-01 -0.99146E-02 5314 0.693E-01 0.130E+00 RMM: 3 -0.357216488358E+03 0.11644E-01 -0.95861E-03 5418 0.216E-01 0.233E-01 RMM: 4 -0.357216331079E+03 0.15728E-03 -0.11841E-03 4684 0.752E-02 0.207E-01 RMM: 5 -0.357216120698E+03 0.21038E-03 -0.24931E-04 3929 0.417E-02 0.124E-01 RMM: 6 -0.357216019667E+03 0.10103E-03 -0.68970E-05 3456 0.241E-02 0.416E-02 RMM: 7 -0.357216025165E+03 -0.54982E-05 -0.27128E-05 2599 0.151E-02 9408 T= 4912. E= 0.67548616E+03 F= 0.63485368E+03 E0= 0.66511832E+03 EK= 0.40632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356741069175E+03 0.47495E+00 -0.13365E-01 8688 0.200E+01 0.206E-01 RMM: 2 -0.356751229935E+03 -0.10161E-01 -0.71458E-02 5299 0.589E-01 0.816E-01 RMM: 3 -0.356746476952E+03 0.47530E-02 -0.62557E-03 5460 0.170E-01 0.151E-01 RMM: 4 -0.356746521178E+03 -0.44226E-04 -0.69373E-04 4667 0.577E-02 0.191E-01 RMM: 5 -0.356746327604E+03 0.19357E-03 -0.15644E-04 3871 0.326E-02 0.970E-02 RMM: 6 -0.356746264715E+03 0.62889E-04 -0.41958E-05 3112 0.196E-02 0.260E-02 RMM: 7 -0.356746267237E+03 -0.25221E-05 -0.15582E-05 2488 0.119E-02 9409 T= 4847. E= 0.67534416E+03 F= 0.63524810E+03 E0= 0.66549819E+03 EK= 0.40096E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356503534205E+03 0.24273E+00 -0.13044E-01 8388 0.204E+01 0.157E-01 RMM: 2 -0.356513123580E+03 -0.95894E-02 -0.67854E-02 5176 0.566E-01 0.753E-01 RMM: 3 -0.356509051484E+03 0.40721E-02 -0.59694E-03 5698 0.150E-01 0.119E-01 RMM: 4 -0.356508990918E+03 0.60565E-04 -0.45930E-04 4319 0.483E-02 0.135E-01 RMM: 5 -0.356508890583E+03 0.10034E-03 -0.10084E-04 3753 0.280E-02 0.691E-02 RMM: 6 -0.356508861703E+03 0.28880E-04 -0.29548E-05 2849 0.162E-02 0.353E-02 RMM: 7 -0.356508876178E+03 -0.14475E-04 -0.23298E-05 2553 0.140E-02 9410 T= 5232. E= 0.67869051E+03 F= 0.63540791E+03 E0= 0.66564188E+03 EK= 0.43283E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356446530678E+03 0.62331E-01 -0.14247E-01 8292 0.216E+01 0.155E-01 RMM: 2 -0.356456475172E+03 -0.99445E-02 -0.73679E-02 5226 0.605E-01 0.736E-01 RMM: 3 -0.356452570047E+03 0.39051E-02 -0.66108E-03 5690 0.158E-01 0.144E-01 RMM: 4 -0.356452392185E+03 0.17786E-03 -0.44408E-04 4260 0.461E-02 0.869E-02 RMM: 5 -0.356452341612E+03 0.50573E-04 -0.90603E-05 3752 0.272E-02 0.594E-02 RMM: 6 -0.356452334756E+03 0.68562E-05 -0.30522E-05 2742 0.164E-02 9411 T= 6040. E= 0.68535566E+03 F= 0.63538782E+03 E0= 0.66560420E+03 EK= 0.49968E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356451776471E+03 0.56514E-03 -0.16386E-01 8604 0.234E+01 0.199E-01 RMM: 2 -0.356466905871E+03 -0.15129E-01 -0.92338E-02 5299 0.689E-01 0.104E+00 RMM: 3 -0.356459518028E+03 0.73878E-02 -0.86612E-03 5496 0.195E-01 0.187E-01 RMM: 4 -0.356459273106E+03 0.24492E-03 -0.73448E-04 4731 0.550E-02 0.104E-01 RMM: 5 -0.356459195164E+03 0.77941E-04 -0.10382E-04 3825 0.271E-02 0.728E-02 RMM: 6 -0.356459180254E+03 0.14910E-04 -0.37119E-05 2901 0.178E-02 9412 T= 7115. E= 0.69416608E+03 F= 0.63530728E+03 E0= 0.66550514E+03 EK= 0.58859E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356344046256E+03 0.11515E+00 -0.19398E-01 8712 0.252E+01 0.383E-01 RMM: 2 -0.356386600983E+03 -0.42555E-01 -0.13388E-01 5311 0.876E-01 0.221E+00 RMM: 3 -0.356353957397E+03 0.32644E-01 -0.18046E-02 5346 0.329E-01 0.421E-01 RMM: 4 -0.356352707073E+03 0.12503E-02 -0.21114E-03 4778 0.957E-02 0.108E-01 RMM: 5 -0.356352638771E+03 0.68301E-04 -0.24781E-04 3961 0.389E-02 0.105E-01 RMM: 6 -0.356352581971E+03 0.56801E-04 -0.62659E-05 3472 0.225E-02 0.708E-02 RMM: 7 -0.356352611308E+03 -0.29338E-04 -0.83556E-05 3752 0.254E-02 0.113E-01 RMM: 8 -0.356352521301E+03 0.90007E-04 -0.57734E-05 3404 0.215E-02 0.415E-02 RMM: 9 -0.356352518915E+03 0.23862E-05 -0.19448E-05 2533 0.128E-02 9413 T= 8047. E= 0.70191342E+03 F= 0.63534318E+03 E0= 0.66552408E+03 EK= 0.66570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355955912816E+03 0.39661E+00 -0.21346E-01 8736 0.262E+01 0.333E-01 RMM: 2 -0.355992081428E+03 -0.36169E-01 -0.13483E-01 5275 0.855E-01 0.197E+00 RMM: 3 -0.355966317613E+03 0.25764E-01 -0.15431E-02 5396 0.286E-01 0.260E-01 RMM: 4 -0.355966091775E+03 0.22584E-03 -0.19435E-03 4808 0.948E-02 0.229E-01 RMM: 5 -0.355965818402E+03 0.27337E-03 -0.35582E-04 4197 0.490E-02 0.132E-01 RMM: 6 -0.355965701900E+03 0.11650E-03 -0.11323E-04 3845 0.283E-02 0.479E-02 RMM: 7 -0.355965715333E+03 -0.13433E-04 -0.49151E-05 3172 0.205E-02 9414 T= 8302. E= 0.70433827E+03 F= 0.63566021E+03 E0= 0.66582331E+03 EK= 0.68678E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355248474633E+03 0.71723E+00 -0.22126E-01 8280 0.259E+01 0.264E-01 RMM: 2 -0.355274696149E+03 -0.26222E-01 -0.14502E-01 5131 0.856E-01 0.144E+00 RMM: 3 -0.355260341300E+03 0.14355E-01 -0.13883E-02 5484 0.254E-01 0.290E-01 RMM: 4 -0.355259785893E+03 0.55541E-03 -0.12860E-03 4773 0.761E-02 0.960E-02 RMM: 5 -0.355259761717E+03 0.24176E-04 -0.20507E-04 3917 0.363E-02 0.113E-01 RMM: 6 -0.355259691179E+03 0.70539E-04 -0.67833E-05 3469 0.225E-02 0.616E-02 RMM: 7 -0.355259740081E+03 -0.48902E-04 -0.91908E-05 3812 0.257E-02 0.112E-01 RMM: 8 -0.355259658665E+03 0.81416E-04 -0.48627E-05 3219 0.204E-02 0.313E-02 RMM: 9 -0.355259657360E+03 0.13053E-05 -0.14210E-05 2484 0.108E-02 9415 T= 7703. E= 0.70001698E+03 F= 0.63629423E+03 E0= 0.66644069E+03 EK= 0.63723E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354355374748E+03 0.90428E+00 -0.20579E-01 8328 0.244E+01 0.257E-01 RMM: 2 -0.354375427332E+03 -0.20053E-01 -0.14236E-01 5089 0.850E-01 0.106E+00 RMM: 3 -0.354366925559E+03 0.85018E-02 -0.13415E-02 5757 0.234E-01 0.214E-01 RMM: 4 -0.354366670649E+03 0.25491E-03 -0.11987E-03 4747 0.789E-02 0.188E-01 RMM: 5 -0.354366492707E+03 0.17794E-03 -0.22312E-04 3908 0.392E-02 0.111E-01 RMM: 6 -0.354366415588E+03 0.77120E-04 -0.55254E-05 3273 0.219E-02 0.347E-02 RMM: 7 -0.354366417612E+03 -0.20240E-05 -0.18153E-05 2511 0.127E-02 9416 T= 6637. E= 0.69201863E+03 F= 0.63710976E+03 E0= 0.66724013E+03 EK= 0.54909E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353495238568E+03 0.87118E+00 -0.17187E-01 8472 0.226E+01 0.281E-01 RMM: 2 -0.353511400031E+03 -0.16161E-01 -0.12705E-01 5332 0.821E-01 0.941E-01 RMM: 3 -0.353505316286E+03 0.60837E-02 -0.11363E-02 5724 0.216E-01 0.241E-01 RMM: 4 -0.353505211569E+03 0.10472E-03 -0.12472E-03 4690 0.813E-02 0.269E-01 RMM: 5 -0.353504761758E+03 0.44981E-03 -0.32279E-04 4116 0.477E-02 0.945E-02 RMM: 6 -0.353504711261E+03 0.50497E-04 -0.50883E-05 3236 0.204E-02 0.479E-02 RMM: 7 -0.353504721475E+03 -0.10214E-04 -0.36474E-05 2708 0.170E-02 9417 T= 5636. E= 0.68450862E+03 F= 0.63788569E+03 E0= 0.66800027E+03 EK= 0.46623E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352859928034E+03 0.64478E+00 -0.14589E-01 8328 0.211E+01 0.288E-01 RMM: 2 -0.352876810163E+03 -0.16882E-01 -0.10823E-01 5237 0.774E-01 0.111E+00 RMM: 3 -0.352868317325E+03 0.84928E-02 -0.10606E-02 5579 0.215E-01 0.224E-01 RMM: 4 -0.352868344740E+03 -0.27415E-04 -0.14458E-03 4713 0.886E-02 0.279E-01 RMM: 5 -0.352867909628E+03 0.43511E-03 -0.36025E-04 4165 0.498E-02 0.125E-01 RMM: 6 -0.352867812335E+03 0.97293E-04 -0.70131E-05 3478 0.234E-02 0.369E-02 RMM: 7 -0.352867814147E+03 -0.18118E-05 -0.17643E-05 2522 0.122E-02 9418 T= 4999. E= 0.67978696E+03 F= 0.63842836E+03 E0= 0.66852631E+03 EK= 0.41359E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352568500309E+03 0.29931E+00 -0.12913E-01 8256 0.203E+01 0.224E-01 RMM: 2 -0.352579050622E+03 -0.10550E-01 -0.78157E-02 5202 0.647E-01 0.821E-01 RMM: 3 -0.352574561432E+03 0.44892E-02 -0.75187E-03 5619 0.178E-01 0.160E-01 RMM: 4 -0.352574614338E+03 -0.52906E-04 -0.77559E-04 4652 0.636E-02 0.230E-01 RMM: 5 -0.352574301938E+03 0.31240E-03 -0.20928E-04 3884 0.388E-02 0.891E-02 RMM: 6 -0.352574251287E+03 0.50651E-04 -0.45191E-05 3127 0.200E-02 0.413E-02 RMM: 7 -0.352574263862E+03 -0.12575E-04 -0.38365E-05 2716 0.175E-02 9419 T= 4818. E= 0.67848114E+03 F= 0.63862117E+03 E0= 0.66870221E+03 EK= 0.39860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352659626704E+03 -0.85375E-01 -0.12406E-01 8160 0.205E+01 0.194E-01 RMM: 2 -0.352667858040E+03 -0.82313E-02 -0.55547E-02 5143 0.549E-01 0.777E-01 RMM: 3 -0.352663761014E+03 0.40970E-02 -0.55229E-03 5554 0.155E-01 0.131E-01 RMM: 4 -0.352663826322E+03 -0.65308E-04 -0.60666E-04 4628 0.564E-02 0.186E-01 RMM: 5 -0.352663632855E+03 0.19347E-03 -0.14323E-04 3870 0.306E-02 0.856E-02 RMM: 6 -0.352663586604E+03 0.46251E-04 -0.38144E-05 3072 0.188E-02 0.265E-02 RMM: 7 -0.352663597118E+03 -0.10514E-04 -0.18140E-05 2520 0.126E-02 9420 T= 5104. E= 0.68065547E+03 F= 0.63842838E+03 E0= 0.66849115E+03 EK= 0.42227E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353097245720E+03 -0.43366E+00 -0.13183E-01 8304 0.216E+01 0.166E-01 RMM: 2 -0.353106174320E+03 -0.89286E-02 -0.56856E-02 5218 0.556E-01 0.821E-01 RMM: 3 -0.353101754779E+03 0.44195E-02 -0.53523E-03 5501 0.154E-01 0.157E-01 RMM: 4 -0.353101589364E+03 0.16542E-03 -0.44444E-04 4343 0.445E-02 0.843E-02 RMM: 5 -0.353101536879E+03 0.52485E-04 -0.92738E-05 3821 0.268E-02 0.684E-02 RMM: 6 -0.353101519589E+03 0.17289E-04 -0.45620E-05 3159 0.191E-02 9421 T= 5840. E= 0.68619871E+03 F= 0.63788843E+03 E0= 0.66793091E+03 EK= 0.48310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353765453655E+03 -0.66392E+00 -0.15389E-01 8664 0.233E+01 0.253E-01 RMM: 2 -0.353783175799E+03 -0.17722E-01 -0.75927E-02 5307 0.676E-01 0.137E+00 RMM: 3 -0.353771103127E+03 0.12073E-01 -0.90375E-03 5350 0.224E-01 0.221E-01 RMM: 4 -0.353770783561E+03 0.31957E-03 -0.90756E-04 4893 0.555E-02 0.951E-02 RMM: 5 -0.353770712442E+03 0.71119E-04 -0.10235E-04 3834 0.308E-02 0.744E-02 RMM: 6 -0.353770716367E+03 -0.39248E-05 -0.58018E-05 3360 0.210E-02 9422 T= 6901. E= 0.69421423E+03 F= 0.63712147E+03 E0= 0.66713983E+03 EK= 0.57093E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354460414392E+03 -0.68970E+00 -0.17981E-01 8328 0.251E+01 0.343E-01 RMM: 2 -0.354494414142E+03 -0.34000E-01 -0.10131E-01 5327 0.792E-01 0.199E+00 RMM: 3 -0.354468339088E+03 0.26075E-01 -0.14299E-02 5339 0.289E-01 0.400E-01 RMM: 4 -0.354467273029E+03 0.10661E-02 -0.17786E-03 4667 0.891E-02 0.127E-01 RMM: 5 -0.354467174476E+03 0.98553E-04 -0.23680E-04 3884 0.392E-02 0.102E-01 RMM: 6 -0.354467117741E+03 0.56735E-04 -0.74471E-05 3612 0.245E-02 0.749E-02 RMM: 7 -0.354467156044E+03 -0.38303E-04 -0.84716E-05 3807 0.257E-02 0.120E-01 RMM: 8 -0.354467051505E+03 0.10454E-03 -0.48528E-05 3204 0.202E-02 0.400E-02 RMM: 9 -0.354467048951E+03 0.25536E-05 -0.20967E-05 2525 0.130E-02 9423 T= 7923. E= 0.70187859E+03 F= 0.63633186E+03 E0= 0.66632582E+03 EK= 0.65547E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354944879294E+03 -0.47783E+00 -0.19898E-01 8604 0.262E+01 0.364E-01 RMM: 2 -0.354977999153E+03 -0.33120E-01 -0.12148E-01 5307 0.898E-01 0.195E+00 RMM: 3 -0.354953686920E+03 0.24312E-01 -0.15214E-02 5350 0.297E-01 0.370E-01 RMM: 4 -0.354952826513E+03 0.86041E-03 -0.18877E-03 4758 0.955E-02 0.162E-01 RMM: 5 -0.354952659967E+03 0.16655E-03 -0.36695E-04 4405 0.522E-02 0.124E-01 RMM: 6 -0.354952573156E+03 0.86811E-04 -0.98125E-05 3797 0.263E-02 0.662E-02 RMM: 7 -0.354952575875E+03 -0.27194E-05 -0.71476E-05 3657 0.236E-02 9424 T= 8349. E= 0.70482658E+03 F= 0.63575525E+03 E0= 0.66571965E+03 EK= 0.69071E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355064953029E+03 -0.11238E+00 -0.19739E-01 8352 0.261E+01 0.229E-01 RMM: 2 -0.355081210756E+03 -0.16258E-01 -0.95616E-02 5130 0.746E-01 0.113E+00 RMM: 3 -0.355072771916E+03 0.84388E-02 -0.10315E-02 5454 0.216E-01 0.236E-01 RMM: 4 -0.355072400850E+03 0.37107E-03 -0.82710E-04 4740 0.600E-02 0.103E-01 RMM: 5 -0.355072320053E+03 0.80797E-04 -0.16968E-04 3907 0.374E-02 0.903E-02 RMM: 6 -0.355072316093E+03 0.39599E-05 -0.93876E-05 3771 0.258E-02 9425 T= 7889. E= 0.70080807E+03 F= 0.63554238E+03 E0= 0.66547774E+03 EK= 0.65266E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354835305058E+03 0.23701E+00 -0.19396E-01 7512 0.248E+01 0.364E-01 RMM: 2 -0.354868866684E+03 -0.33562E-01 -0.11307E-01 4795 0.814E-01 0.194E+00 RMM: 3 -0.354843684309E+03 0.25182E-01 -0.18804E-02 5342 0.330E-01 0.317E-01 RMM: 4 -0.354843038914E+03 0.64540E-03 -0.19013E-03 5000 0.862E-02 0.124E-01 RMM: 5 -0.354843031333E+03 0.75815E-05 -0.24584E-04 3952 0.375E-02 0.143E-01 RMM: 6 -0.354842911520E+03 0.11981E-03 -0.91551E-05 3666 0.268E-02 0.610E-02 RMM: 7 -0.354842941208E+03 -0.29688E-04 -0.58439E-05 3344 0.210E-02 0.934E-02 RMM: 8 -0.354842887367E+03 0.53841E-04 -0.38148E-05 2882 0.182E-02 0.454E-02 RMM: 9 -0.354842875938E+03 0.11429E-04 -0.15901E-05 2492 0.119E-02 9426 T= 6848. E= 0.69232072E+03 F= 0.63567205E+03 E0= 0.66558003E+03 EK= 0.56649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354400340023E+03 0.44255E+00 -0.16125E-01 7632 0.229E+01 0.374E-01 RMM: 2 -0.354430768025E+03 -0.30428E-01 -0.10080E-01 5031 0.770E-01 0.187E+00 RMM: 3 -0.354407366603E+03 0.23401E-01 -0.16102E-02 5339 0.309E-01 0.365E-01 RMM: 4 -0.354406571672E+03 0.79493E-03 -0.19726E-03 5006 0.950E-02 0.164E-01 RMM: 5 -0.354406555516E+03 0.16156E-04 -0.28557E-04 3926 0.415E-02 0.173E-01 RMM: 6 -0.354406364822E+03 0.19069E-03 -0.96838E-05 3689 0.283E-02 0.434E-02 RMM: 7 -0.354406366272E+03 -0.14504E-05 -0.28617E-05 2717 0.154E-02 9427 T= 5776. E= 0.68378513E+03 F= 0.63599862E+03 E0= 0.66588303E+03 EK= 0.47787E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353920450131E+03 0.48591E+00 -0.13596E-01 7656 0.213E+01 0.282E-01 RMM: 2 -0.353934384077E+03 -0.13934E-01 -0.84103E-02 5201 0.696E-01 0.108E+00 RMM: 3 -0.353926657636E+03 0.77264E-02 -0.89913E-03 5424 0.208E-01 0.225E-01 RMM: 4 -0.353926807597E+03 -0.14996E-03 -0.13273E-03 4678 0.843E-02 0.290E-01 RMM: 5 -0.353926315020E+03 0.49258E-03 -0.33752E-04 4001 0.470E-02 0.124E-01 RMM: 6 -0.353926220561E+03 0.94459E-04 -0.75067E-05 3510 0.245E-02 0.467E-02 RMM: 7 -0.353926237393E+03 -0.16833E-04 -0.44664E-05 3083 0.189E-02 9428 T= 5029. E= 0.67795858E+03 F= 0.63635763E+03 E0= 0.66622423E+03 EK= 0.41601E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353514378892E+03 0.41184E+00 -0.12234E-01 7692 0.204E+01 0.239E-01 RMM: 2 -0.353523920945E+03 -0.95421E-02 -0.76313E-02 5056 0.655E-01 0.757E-01 RMM: 3 -0.353520138203E+03 0.37827E-02 -0.81567E-03 5620 0.184E-01 0.194E-01 RMM: 4 -0.353520292936E+03 -0.15473E-03 -0.91193E-04 4634 0.714E-02 0.272E-01 RMM: 5 -0.353519817516E+03 0.47542E-03 -0.25468E-04 3900 0.403E-02 0.889E-02 RMM: 6 -0.353519770520E+03 0.46996E-04 -0.54251E-05 3278 0.214E-02 0.405E-02 RMM: 7 -0.353519779429E+03 -0.89085E-05 -0.30424E-05 2640 0.161E-02 9429 T= 4719. E= 0.67567492E+03 F= 0.63663396E+03 E0= 0.66648942E+03 EK= 0.39041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353239695012E+03 0.28008E+00 -0.12141E-01 8268 0.204E+01 0.222E-01 RMM: 2 -0.353250944297E+03 -0.11249E-01 -0.71269E-02 5069 0.618E-01 0.918E-01 RMM: 3 -0.353245122445E+03 0.58219E-02 -0.75396E-03 5533 0.181E-01 0.177E-01 RMM: 4 -0.353245082724E+03 0.39721E-04 -0.80900E-04 4629 0.648E-02 0.187E-01 RMM: 5 -0.353244900590E+03 0.18213E-03 -0.18200E-04 3885 0.328E-02 0.113E-01 RMM: 6 -0.353244819275E+03 0.81315E-04 -0.70738E-05 3469 0.241E-02 0.403E-02 RMM: 7 -0.353244843732E+03 -0.24457E-04 -0.36378E-05 2938 0.172E-02 0.786E-02 RMM: 8 -0.353244806444E+03 0.37288E-04 -0.24920E-05 2575 0.156E-02 0.332E-02 RMM: 9 -0.353244800553E+03 0.58915E-05 -0.10000E-05 2451 0.915E-03 9430 T= 4866. E= 0.67702886E+03 F= 0.63677467E+03 E0= 0.66662637E+03 EK= 0.40254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353099287047E+03 0.14552E+00 -0.12799E-01 8796 0.212E+01 0.192E-01 RMM: 2 -0.353108826547E+03 -0.95395E-02 -0.64882E-02 5289 0.567E-01 0.813E-01 RMM: 3 -0.353104150684E+03 0.46759E-02 -0.58694E-03 5589 0.160E-01 0.167E-01 RMM: 4 -0.353104010398E+03 0.14029E-03 -0.59400E-04 4499 0.538E-02 0.124E-01 RMM: 5 -0.353103935333E+03 0.75064E-04 -0.13905E-04 3878 0.301E-02 0.101E-01 RMM: 6 -0.353103873841E+03 0.61492E-04 -0.67182E-05 3459 0.235E-02 0.460E-02 RMM: 7 -0.353103906363E+03 -0.32522E-04 -0.42969E-05 3092 0.187E-02 0.877E-02 RMM: 8 -0.353103855782E+03 0.50581E-04 -0.24807E-05 2622 0.160E-02 0.245E-02 RMM: 9 -0.353103852830E+03 0.29514E-05 -0.68326E-06 2441 0.710E-03 9431 T= 5469. E= 0.68202328E+03 F= 0.63678309E+03 E0= 0.66663922E+03 EK= 0.45240E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353037374166E+03 0.66482E-01 -0.15384E-01 9060 0.229E+01 0.189E-01 RMM: 2 -0.353049849286E+03 -0.12475E-01 -0.84154E-02 5349 0.648E-01 0.904E-01 RMM: 3 -0.353044138186E+03 0.57111E-02 -0.77835E-03 5672 0.175E-01 0.183E-01 RMM: 4 -0.353043876422E+03 0.26176E-03 -0.60924E-04 4501 0.532E-02 0.994E-02 RMM: 5 -0.353043811824E+03 0.64598E-04 -0.11781E-04 3856 0.288E-02 0.831E-02 RMM: 6 -0.353043788494E+03 0.23330E-04 -0.48361E-05 3200 0.200E-02 0.703E-02 RMM: 7 -0.353043798045E+03 -0.95512E-05 -0.68314E-05 3602 0.223E-02 9432 T= 6471. E= 0.69025021E+03 F= 0.63671696E+03 E0= 0.66658663E+03 EK= 0.53533E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352946013464E+03 0.97775E-01 -0.19291E-01 9012 0.249E+01 0.212E-01 RMM: 2 -0.352962480957E+03 -0.16467E-01 -0.11986E-01 5397 0.777E-01 0.982E-01 RMM: 3 -0.352955726837E+03 0.67541E-02 -0.10401E-02 5752 0.203E-01 0.235E-01 RMM: 4 -0.352955293919E+03 0.43292E-03 -0.76701E-04 4756 0.574E-02 0.115E-01 RMM: 5 -0.352955197806E+03 0.96113E-04 -0.12235E-04 3874 0.294E-02 0.949E-02 RMM: 6 -0.352955206820E+03 -0.90144E-05 -0.79712E-05 3670 0.241E-02 9433 T= 7619. E= 0.69971461E+03 F= 0.63668722E+03 E0= 0.66658079E+03 EK= 0.63027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352690985368E+03 0.26421E+00 -0.22984E-01 9072 0.265E+01 0.343E-01 RMM: 2 -0.352731927965E+03 -0.40943E-01 -0.15520E-01 5425 0.860E-01 0.207E+00 RMM: 3 -0.352702795197E+03 0.29133E-01 -0.16716E-02 5360 0.301E-01 0.344E-01 RMM: 4 -0.352702018088E+03 0.77711E-03 -0.18669E-03 4862 0.820E-02 0.118E-01 RMM: 5 -0.352701904749E+03 0.11334E-03 -0.20922E-04 3904 0.391E-02 0.102E-01 RMM: 6 -0.352701879317E+03 0.25432E-04 -0.82949E-05 3697 0.251E-02 0.971E-02 RMM: 7 -0.352701914205E+03 -0.34888E-04 -0.12336E-04 3881 0.299E-02 0.137E-01 RMM: 8 -0.352701790278E+03 0.12393E-03 -0.76340E-05 3602 0.241E-02 0.512E-02 RMM: 9 -0.352701780462E+03 0.98160E-05 -0.24057E-05 2563 0.142E-02 9434 T= 8380. E= 0.70615186E+03 F= 0.63682809E+03 E0= 0.66675988E+03 EK= 0.69324E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352193406968E+03 0.50838E+00 -0.25008E-01 8952 0.270E+01 0.394E-01 RMM: 2 -0.352239177576E+03 -0.45771E-01 -0.16957E-01 5411 0.917E-01 0.219E+00 RMM: 3 -0.352206527751E+03 0.32650E-01 -0.19091E-02 5367 0.324E-01 0.459E-01 RMM: 4 -0.352205085525E+03 0.14422E-02 -0.28594E-03 5072 0.117E-01 0.157E-01 RMM: 5 -0.352205003090E+03 0.82434E-04 -0.45674E-04 4243 0.533E-02 0.155E-01 RMM: 6 -0.352204847796E+03 0.15529E-03 -0.12745E-04 3862 0.303E-02 0.602E-02 RMM: 7 -0.352204877725E+03 -0.29929E-04 -0.81275E-05 3689 0.242E-02 0.967E-02 RMM: 8 -0.352204818778E+03 0.58947E-04 -0.43767E-05 3125 0.199E-02 0.419E-02 RMM: 9 -0.352204809538E+03 0.92401E-05 -0.13930E-05 2479 0.109E-02 9435 T= 8267. E= 0.70560105E+03 F= 0.63721357E+03 E0= 0.66718848E+03 EK= 0.68387E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351502465765E+03 0.70235E+00 -0.25417E-01 8676 0.260E+01 0.267E-01 RMM: 2 -0.351528212088E+03 -0.25746E-01 -0.16165E-01 5415 0.827E-01 0.132E+00 RMM: 3 -0.351514918637E+03 0.13293E-01 -0.11760E-02 5416 0.237E-01 0.223E-01 RMM: 4 -0.351514721817E+03 0.19682E-03 -0.12741E-03 4715 0.765E-02 0.175E-01 RMM: 5 -0.351514611060E+03 0.11076E-03 -0.22524E-04 3887 0.365E-02 0.145E-01 RMM: 6 -0.351514482323E+03 0.12874E-03 -0.93594E-05 3697 0.269E-02 0.532E-02 RMM: 7 -0.351514532513E+03 -0.50191E-04 -0.83129E-05 3715 0.244E-02 0.105E-01 RMM: 8 -0.351514459385E+03 0.73128E-04 -0.41449E-05 3113 0.196E-02 0.295E-02 RMM: 9 -0.351514456074E+03 0.33109E-05 -0.10744E-05 2473 0.930E-03 9436 T= 7359. E= 0.69866312E+03 F= 0.63778766E+03 E0= 0.66780788E+03 EK= 0.60875E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350770727753E+03 0.74373E+00 -0.22414E-01 8592 0.242E+01 0.262E-01 RMM: 2 -0.350789794644E+03 -0.19067E-01 -0.14489E-01 5577 0.789E-01 0.988E-01 RMM: 3 -0.350781655702E+03 0.81389E-02 -0.88053E-03 5448 0.203E-01 0.211E-01 RMM: 4 -0.350781727357E+03 -0.71656E-04 -0.12609E-03 4705 0.819E-02 0.253E-01 RMM: 5 -0.350781338659E+03 0.38870E-03 -0.29625E-04 3912 0.433E-02 0.109E-01 RMM: 6 -0.350781264208E+03 0.74451E-04 -0.55948E-05 3288 0.221E-02 0.385E-02 RMM: 7 -0.350781273729E+03 -0.95207E-05 -0.27352E-05 2589 0.148E-02 9437 T= 6208. E= 0.68975161E+03 F= 0.63839477E+03 E0= 0.66845762E+03 EK= 0.51357E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350153409377E+03 0.62785E+00 -0.18654E-01 8916 0.223E+01 0.275E-01 RMM: 2 -0.350168901570E+03 -0.15492E-01 -0.12894E-01 5431 0.772E-01 0.845E-01 RMM: 3 -0.350163305801E+03 0.55958E-02 -0.91824E-03 5591 0.196E-01 0.234E-01 RMM: 4 -0.350163509676E+03 -0.20388E-03 -0.13137E-03 4685 0.857E-02 0.318E-01 RMM: 5 -0.350162865307E+03 0.64437E-03 -0.39086E-04 4086 0.511E-02 0.101E-01 RMM: 6 -0.350162803690E+03 0.61617E-04 -0.60062E-05 3352 0.214E-02 0.464E-02 RMM: 7 -0.350162816743E+03 -0.13053E-04 -0.34587E-05 2774 0.166E-02 9438 T= 5293. E= 0.68266060E+03 F= 0.63887491E+03 E0= 0.66897510E+03 EK= 0.43786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349754122464E+03 0.40868E+00 -0.15599E-01 8664 0.210E+01 0.293E-01 RMM: 2 -0.349770411004E+03 -0.16289E-01 -0.11176E-01 5268 0.743E-01 0.105E+00 RMM: 3 -0.349762572549E+03 0.78385E-02 -0.10320E-02 5505 0.215E-01 0.259E-01 RMM: 4 -0.349762599486E+03 -0.26937E-04 -0.14591E-03 4726 0.886E-02 0.286E-01 RMM: 5 -0.349762137276E+03 0.46221E-03 -0.34646E-04 3997 0.468E-02 0.143E-01 RMM: 6 -0.349762006664E+03 0.13061E-03 -0.89498E-05 3628 0.271E-02 0.391E-02 RMM: 7 -0.349762018054E+03 -0.11389E-04 -0.26039E-05 2602 0.142E-02 9439 T= 4808. E= 0.67890461E+03 F= 0.63912636E+03 E0= 0.66925887E+03 EK= 0.39778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349620296440E+03 0.14171E+00 -0.13276E-01 8688 0.205E+01 0.273E-01 RMM: 2 -0.349635673924E+03 -0.15377E-01 -0.80659E-02 5292 0.630E-01 0.116E+00 RMM: 3 -0.349626166609E+03 0.95073E-02 -0.79751E-03 5391 0.199E-01 0.252E-01 RMM: 4 -0.349626014877E+03 0.15173E-03 -0.11987E-03 4649 0.772E-02 0.216E-01 RMM: 5 -0.349625799435E+03 0.21544E-03 -0.24491E-04 3892 0.394E-02 0.140E-01 RMM: 6 -0.349625675016E+03 0.12442E-03 -0.84901E-05 3587 0.268E-02 0.399E-02 RMM: 7 -0.349625697636E+03 -0.22621E-04 -0.29673E-05 2740 0.151E-02 0.783E-02 RMM: 8 -0.349625661982E+03 0.35655E-04 -0.32773E-05 2653 0.174E-02 0.330E-02 RMM: 9 -0.349625657496E+03 0.44860E-05 -0.12210E-05 2468 0.104E-02 9440 T= 4791. E= 0.67873933E+03 F= 0.63910706E+03 E0= 0.66926774E+03 EK= 0.39632E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349748345315E+03 -0.12268E+00 -0.13169E-01 8316 0.210E+01 0.227E-01 RMM: 2 -0.349759221772E+03 -0.10876E-01 -0.69624E-02 5218 0.591E-01 0.914E-01 RMM: 3 -0.349753498003E+03 0.57238E-02 -0.69580E-03 5518 0.177E-01 0.196E-01 RMM: 4 -0.349753369230E+03 0.12877E-03 -0.79681E-04 4647 0.624E-02 0.165E-01 RMM: 5 -0.349753271973E+03 0.97257E-04 -0.18530E-04 3888 0.339E-02 0.136E-01 RMM: 6 -0.349753154105E+03 0.11787E-03 -0.89525E-05 3629 0.273E-02 0.367E-02 RMM: 7 -0.349753190972E+03 -0.36866E-04 -0.36819E-05 2949 0.167E-02 0.901E-02 RMM: 8 -0.349753139749E+03 0.51222E-04 -0.26936E-05 2575 0.170E-02 0.244E-02 RMM: 9 -0.349753136502E+03 0.32473E-05 -0.71434E-06 2443 0.744E-03 9441 T= 5239. E= 0.68216585E+03 F= 0.63882421E+03 E0= 0.66900999E+03 EK= 0.43342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350090062765E+03 -0.33692E+00 -0.14562E-01 8568 0.223E+01 0.225E-01 RMM: 2 -0.350103788947E+03 -0.13726E-01 -0.69888E-02 5311 0.614E-01 0.113E+00 RMM: 3 -0.350095392995E+03 0.83960E-02 -0.68517E-03 5500 0.180E-01 0.224E-01 RMM: 4 -0.350095059399E+03 0.33360E-03 -0.74286E-04 4610 0.586E-02 0.107E-01 RMM: 5 -0.350095004999E+03 0.54400E-04 -0.17092E-04 3874 0.354E-02 0.994E-02 RMM: 6 -0.350094964356E+03 0.40643E-04 -0.84112E-05 3730 0.256E-02 0.703E-02 RMM: 7 -0.350095005113E+03 -0.40757E-04 -0.61812E-05 3409 0.214E-02 0.111E-01 RMM: 8 -0.350094927848E+03 0.77265E-04 -0.39306E-05 3066 0.195E-02 0.370E-02 RMM: 9 -0.350094920538E+03 0.73104E-05 -0.11672E-05 2468 0.977E-03 9442 T= 6121. E= 0.68897007E+03 F= 0.63833324E+03 E0= 0.66854089E+03 EK= 0.50637E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350533549202E+03 -0.43862E+00 -0.16955E-01 8556 0.242E+01 0.225E-01 RMM: 2 -0.350549328830E+03 -0.15780E-01 -0.91290E-02 5301 0.725E-01 0.115E+00 RMM: 3 -0.350540828876E+03 0.85000E-02 -0.88303E-03 5550 0.199E-01 0.215E-01 RMM: 4 -0.350540497758E+03 0.33112E-03 -0.77849E-04 4661 0.601E-02 0.116E-01 RMM: 5 -0.350540399484E+03 0.98274E-04 -0.15803E-04 3861 0.350E-02 0.845E-02 RMM: 6 -0.350540395455E+03 0.40287E-05 -0.74732E-05 3607 0.235E-02 9443 T= 7258. E= 0.69778882E+03 F= 0.63774762E+03 E0= 0.66797162E+03 EK= 0.60041E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350916620932E+03 -0.37622E+00 -0.19321E-01 8424 0.259E+01 0.366E-01 RMM: 2 -0.350958466789E+03 -0.41846E-01 -0.11472E-01 5353 0.812E-01 0.225E+00 RMM: 3 -0.350925114206E+03 0.33353E-01 -0.16349E-02 5355 0.310E-01 0.331E-01 RMM: 4 -0.350924382989E+03 0.73122E-03 -0.17846E-03 4826 0.795E-02 0.136E-01 RMM: 5 -0.350924253526E+03 0.12946E-03 -0.23479E-04 3904 0.435E-02 0.110E-01 RMM: 6 -0.350924211818E+03 0.41708E-04 -0.13165E-04 3866 0.313E-02 0.108E-01 RMM: 7 -0.350924283844E+03 -0.72026E-04 -0.17901E-04 3895 0.365E-02 0.160E-01 RMM: 8 -0.350924116551E+03 0.16729E-03 -0.99791E-05 3808 0.280E-02 0.503E-02 RMM: 9 -0.350924109226E+03 0.73247E-05 -0.26864E-05 2721 0.150E-02 9444 T= 8196. E= 0.70503475E+03 F= 0.63723156E+03 E0= 0.66746934E+03 EK= 0.67803E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351085492290E+03 -0.16138E+00 -0.21307E-01 8196 0.267E+01 0.354E-01 RMM: 2 -0.351118560673E+03 -0.33068E-01 -0.12596E-01 5298 0.879E-01 0.190E+00 RMM: 3 -0.351095045995E+03 0.23515E-01 -0.15886E-02 5366 0.298E-01 0.380E-01 RMM: 4 -0.351094091569E+03 0.95443E-03 -0.21328E-03 4900 0.101E-01 0.163E-01 RMM: 5 -0.351093945165E+03 0.14640E-03 -0.39271E-04 4375 0.530E-02 0.131E-01 RMM: 6 -0.351093844982E+03 0.10018E-03 -0.10543E-04 3836 0.271E-02 0.663E-02 RMM: 7 -0.351093872052E+03 -0.27070E-04 -0.80487E-05 3697 0.235E-02 0.106E-01 RMM: 8 -0.351093796663E+03 0.75390E-04 -0.45332E-05 3145 0.208E-02 0.270E-02 RMM: 9 -0.351093794922E+03 0.17401E-05 -0.12401E-05 2471 0.994E-03 9445 T= 8380. E= 0.70625491E+03 F= 0.63693262E+03 E0= 0.66717557E+03 EK= 0.69322E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350999615552E+03 0.94181E-01 -0.21104E-01 7764 0.261E+01 0.239E-01 RMM: 2 -0.351017430533E+03 -0.17815E-01 -0.11449E-01 5090 0.779E-01 0.112E+00 RMM: 3 -0.351008873108E+03 0.85574E-02 -0.11490E-02 5532 0.219E-01 0.202E-01 RMM: 4 -0.351008651642E+03 0.22147E-03 -0.96820E-04 4689 0.698E-02 0.161E-01 RMM: 5 -0.351008527053E+03 0.12459E-03 -0.25175E-04 3946 0.424E-02 0.123E-01 RMM: 6 -0.351008461643E+03 0.65410E-04 -0.11653E-04 3849 0.293E-02 0.792E-02 RMM: 7 -0.351008509879E+03 -0.48235E-04 -0.82227E-05 3712 0.250E-02 0.119E-01 RMM: 8 -0.351008415652E+03 0.94227E-04 -0.43494E-05 3186 0.201E-02 0.323E-02 RMM: 9 -0.351008412662E+03 0.29901E-05 -0.13033E-05 2483 0.102E-02 9446 T= 7683. E= 0.70044704E+03 F= 0.63688525E+03 E0= 0.66712667E+03 EK= 0.63562E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350768283289E+03 0.24013E+00 -0.19168E-01 7788 0.244E+01 0.266E-01 RMM: 2 -0.350784527009E+03 -0.16244E-01 -0.11155E-01 5072 0.774E-01 0.105E+00 RMM: 3 -0.350776953470E+03 0.75735E-02 -0.11153E-02 5591 0.218E-01 0.221E-01 RMM: 4 -0.350776916931E+03 0.36539E-04 -0.12281E-03 4783 0.825E-02 0.242E-01 RMM: 5 -0.350776600931E+03 0.31600E-03 -0.26879E-04 3903 0.413E-02 0.131E-01 RMM: 6 -0.350776494675E+03 0.10626E-03 -0.76875E-05 3514 0.256E-02 0.451E-02 RMM: 7 -0.350776516190E+03 -0.21515E-04 -0.38398E-05 2976 0.174E-02 0.799E-02 RMM: 8 -0.350776477496E+03 0.38694E-04 -0.36501E-05 2702 0.180E-02 0.365E-02 RMM: 9 -0.350776471283E+03 0.62123E-05 -0.13262E-05 2472 0.106E-02 9447 T= 6562. E= 0.69125938E+03 F= 0.63697462E+03 E0= 0.66720834E+03 EK= 0.54285E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350571392886E+03 0.20508E+00 -0.16369E-01 7872 0.224E+01 0.301E-01 RMM: 2 -0.350586096290E+03 -0.14703E-01 -0.10701E-01 5203 0.770E-01 0.101E+00 RMM: 3 -0.350579419843E+03 0.66764E-02 -0.10465E-02 5586 0.211E-01 0.240E-01 RMM: 4 -0.350579665213E+03 -0.24537E-03 -0.15388E-03 4788 0.942E-02 0.335E-01 RMM: 5 -0.350578980856E+03 0.68436E-03 -0.44481E-04 4334 0.549E-02 0.128E-01 RMM: 6 -0.350578875576E+03 0.10528E-03 -0.74275E-05 3537 0.233E-02 0.450E-02 RMM: 7 -0.350578886133E+03 -0.10557E-04 -0.35388E-05 2883 0.171E-02 9448 T= 5557. E= 0.68299027E+03 F= 0.63701588E+03 E0= 0.66723666E+03 EK= 0.45974E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350570114004E+03 0.87616E-02 -0.14055E-01 8136 0.209E+01 0.321E-01 RMM: 2 -0.350584054594E+03 -0.13941E-01 -0.81936E-02 5320 0.687E-01 0.115E+00 RMM: 3 -0.350575694618E+03 0.83600E-02 -0.84881E-03 5487 0.204E-01 0.278E-01 RMM: 4 -0.350575836744E+03 -0.14213E-03 -0.15704E-03 4674 0.938E-02 0.332E-01 RMM: 5 -0.350575168054E+03 0.66869E-03 -0.41542E-04 4263 0.535E-02 0.123E-01 RMM: 6 -0.350575075924E+03 0.92130E-04 -0.70364E-05 3511 0.229E-02 0.488E-02 RMM: 7 -0.350575094136E+03 -0.18213E-04 -0.41673E-05 3073 0.176E-02 9449 T= 4947. E= 0.67777472E+03 F= 0.63684958E+03 E0= 0.66705469E+03 EK= 0.40925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350861891646E+03 -0.28682E+00 -0.12671E-01 8076 0.201E+01 0.279E-01 RMM: 2 -0.350871579372E+03 -0.96877E-02 -0.58204E-02 5341 0.566E-01 0.960E-01 RMM: 3 -0.350865570702E+03 0.60087E-02 -0.59823E-03 5427 0.172E-01 0.207E-01 RMM: 4 -0.350865936482E+03 -0.36578E-03 -0.11013E-03 4616 0.778E-02 0.326E-01 RMM: 5 -0.350865317043E+03 0.61944E-03 -0.34296E-04 3942 0.484E-02 0.128E-01 RMM: 6 -0.350865208596E+03 0.10845E-03 -0.91631E-05 3645 0.274E-02 0.386E-02 RMM: 7 -0.350865231732E+03 -0.23135E-04 -0.29767E-05 2751 0.153E-02 0.790E-02 RMM: 8 -0.350865193531E+03 0.38201E-04 -0.26933E-05 2566 0.164E-02 0.297E-02 RMM: 9 -0.350865191890E+03 0.16411E-05 -0.11356E-05 2466 0.967E-03 9450 T= 4800. E= 0.67608829E+03 F= 0.63637983E+03 E0= 0.66656487E+03 EK= 0.39708E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351484879924E+03 -0.61969E+00 -0.12965E-01 8364 0.203E+01 0.223E-01 RMM: 2 -0.351492425678E+03 -0.75458E-02 -0.49652E-02 5278 0.516E-01 0.788E-01 RMM: 3 -0.351488277905E+03 0.41478E-02 -0.46540E-03 5453 0.148E-01 0.198E-01 RMM: 4 -0.351488295913E+03 -0.18008E-04 -0.77491E-04 4603 0.652E-02 0.216E-01 RMM: 5 -0.351488063192E+03 0.23272E-03 -0.22998E-04 3886 0.399E-02 0.128E-01 RMM: 6 -0.351487956237E+03 0.10695E-03 -0.85128E-05 3595 0.266E-02 0.401E-02 RMM: 7 -0.351487993309E+03 -0.37072E-04 -0.39557E-05 3018 0.176E-02 0.902E-02 RMM: 8 -0.351487941266E+03 0.52043E-04 -0.24212E-05 2594 0.163E-02 0.226E-02 RMM: 9 -0.351487939223E+03 0.20433E-05 -0.66886E-06 2443 0.707E-03 9451 T= 5118. E= 0.67791661E+03 F= 0.63557483E+03 E0= 0.66573606E+03 EK= 0.42342E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352414015087E+03 -0.92607E+00 -0.14089E-01 8664 0.213E+01 0.189E-01 RMM: 2 -0.352421288864E+03 -0.72738E-02 -0.49792E-02 5332 0.522E-01 0.755E-01 RMM: 3 -0.352417595031E+03 0.36938E-02 -0.45305E-03 5675 0.138E-01 0.159E-01 RMM: 4 -0.352417470846E+03 0.12419E-03 -0.45812E-04 4333 0.494E-02 0.137E-01 RMM: 5 -0.352417360726E+03 0.11012E-03 -0.19445E-04 3882 0.397E-02 0.886E-02 RMM: 6 -0.352417355340E+03 0.53856E-05 -0.93173E-05 3703 0.265E-02 9452 T= 5876. E= 0.68308146E+03 F= 0.63446767E+03 E0= 0.66460096E+03 EK= 0.48614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353532935601E+03 -0.11156E+01 -0.16307E-01 8688 0.231E+01 0.299E-01 RMM: 2 -0.353559969666E+03 -0.27034E-01 -0.79217E-02 5314 0.678E-01 0.179E+00 RMM: 3 -0.353538819936E+03 0.21150E-01 -0.11354E-02 5354 0.255E-01 0.295E-01 RMM: 4 -0.353538258477E+03 0.56146E-03 -0.12385E-03 4714 0.684E-02 0.121E-01 RMM: 5 -0.353538154771E+03 0.10371E-03 -0.20959E-04 3889 0.414E-02 0.102E-01 RMM: 6 -0.353538145852E+03 0.89187E-05 -0.12489E-04 3878 0.301E-02 9453 T= 6940. E= 0.69058658E+03 F= 0.63317796E+03 E0= 0.66327622E+03 EK= 0.57409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354638925255E+03 -0.11008E+01 -0.18814E-01 8640 0.249E+01 0.604E-01 RMM: 2 -0.354727798861E+03 -0.88874E-01 -0.14449E-01 5301 0.954E-01 0.350E+00 RMM: 3 -0.354648059166E+03 0.79740E-01 -0.33827E-02 5092 0.482E-01 0.677E-01 RMM: 4 -0.354644723622E+03 0.33355E-02 -0.42389E-03 5324 0.144E-01 0.142E-01 RMM: 5 -0.354644639099E+03 0.84524E-04 -0.45669E-04 4084 0.455E-02 0.138E-01 RMM: 6 -0.354644518482E+03 0.12062E-03 -0.14357E-04 3875 0.334E-02 0.853E-02 RMM: 7 -0.354644626051E+03 -0.10757E-03 -0.14038E-04 3890 0.312E-02 0.160E-01 RMM: 8 -0.354644454418E+03 0.17163E-03 -0.81459E-05 3693 0.256E-02 0.475E-02 RMM: 9 -0.354644448943E+03 0.54755E-05 -0.22565E-05 2612 0.137E-02 9454 T= 7931. E= 0.69752537E+03 F= 0.63191139E+03 E0= 0.66197338E+03 EK= 0.65614E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355487660298E+03 -0.84321E+00 -0.20055E-01 8472 0.260E+01 0.404E-01 RMM: 2 -0.355534475924E+03 -0.46816E-01 -0.12612E-01 5314 0.858E-01 0.236E+00 RMM: 3 -0.355497719482E+03 0.36756E-01 -0.21355E-02 5346 0.357E-01 0.474E-01 RMM: 4 -0.355496245869E+03 0.14736E-02 -0.27278E-03 5022 0.109E-01 0.162E-01 RMM: 5 -0.355496057068E+03 0.18880E-03 -0.40292E-04 4228 0.521E-02 0.128E-01 RMM: 6 -0.355495966915E+03 0.90153E-04 -0.11099E-04 3835 0.284E-02 0.783E-02 RMM: 7 -0.355496017070E+03 -0.50155E-04 -0.12285E-04 3879 0.295E-02 0.136E-01 RMM: 8 -0.355495889714E+03 0.12736E-03 -0.76224E-05 3671 0.256E-02 0.336E-02 RMM: 9 -0.355495885924E+03 0.37903E-05 -0.15174E-05 2492 0.112E-02 9455 T= 8310. E= 0.69964746E+03 F= 0.63090387E+03 E0= 0.66092826E+03 EK= 0.68744E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355939846884E+03 -0.44396E+00 -0.20798E-01 7980 0.258E+01 0.281E-01 RMM: 2 -0.355965660756E+03 -0.25814E-01 -0.12779E-01 5016 0.848E-01 0.153E+00 RMM: 3 -0.355950209313E+03 0.15451E-01 -0.14714E-02 5466 0.262E-01 0.267E-01 RMM: 4 -0.355949704451E+03 0.50486E-03 -0.13062E-03 4750 0.754E-02 0.123E-01 RMM: 5 -0.355949641519E+03 0.62932E-04 -0.29175E-04 4154 0.478E-02 0.128E-01 RMM: 6 -0.355949573070E+03 0.68449E-04 -0.13479E-04 3876 0.307E-02 0.950E-02 RMM: 7 -0.355949626702E+03 -0.53632E-04 -0.12315E-04 3885 0.296E-02 0.137E-01 RMM: 8 -0.355949503418E+03 0.12328E-03 -0.62979E-05 3423 0.235E-02 0.317E-02 RMM: 9 -0.355949504837E+03 -0.14198E-05 -0.16008E-05 2518 0.112E-02 9456 T= 7823. E= 0.69500691E+03 F= 0.63029112E+03 E0= 0.66028414E+03 EK= 0.64716E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356036082542E+03 -0.86579E-01 -0.18815E-01 8268 0.245E+01 0.270E-01 RMM: 2 -0.356052951260E+03 -0.16869E-01 -0.93044E-02 5069 0.711E-01 0.119E+00 RMM: 3 -0.356043060897E+03 0.98904E-02 -0.10043E-02 5502 0.216E-01 0.226E-01 RMM: 4 -0.356042865085E+03 0.19581E-03 -0.11764E-03 4684 0.778E-02 0.188E-01 RMM: 5 -0.356042700246E+03 0.16484E-03 -0.28281E-04 3921 0.434E-02 0.129E-01 RMM: 6 -0.356042605885E+03 0.94360E-04 -0.11506E-04 3797 0.304E-02 0.563E-02 RMM: 7 -0.356042648880E+03 -0.42994E-04 -0.54407E-05 3283 0.208E-02 0.103E-01 RMM: 8 -0.356042580264E+03 0.68616E-04 -0.30240E-05 2844 0.182E-02 0.287E-02 RMM: 9 -0.356042576663E+03 0.36006E-05 -0.95584E-06 2459 0.887E-03 9457 T= 6795. E= 0.68624064E+03 F= 0.63002830E+03 E0= 0.65999891E+03 EK= 0.56212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355935916200E+03 0.10666E+00 -0.16721E-01 7992 0.227E+01 0.289E-01 RMM: 2 -0.355948150297E+03 -0.12234E-01 -0.96787E-02 5052 0.718E-01 0.859E-01 RMM: 3 -0.355943036520E+03 0.51138E-02 -0.98561E-03 5616 0.203E-01 0.210E-01 RMM: 4 -0.355943466385E+03 -0.42987E-03 -0.13605E-03 4765 0.883E-02 0.352E-01 RMM: 5 -0.355942668385E+03 0.79800E-03 -0.44527E-04 4332 0.551E-02 0.107E-01 RMM: 6 -0.355942603428E+03 0.64957E-04 -0.75563E-05 3515 0.233E-02 0.516E-02 RMM: 7 -0.355942628342E+03 -0.24914E-04 -0.44826E-05 3107 0.188E-02 0.864E-02 RMM: 8 -0.355942580717E+03 0.47625E-04 -0.30062E-05 2805 0.174E-02 0.252E-02 RMM: 9 -0.355942583044E+03 -0.23275E-05 -0.12583E-05 2472 0.100E-02 9458 T= 5763. E= 0.67761867E+03 F= 0.62994253E+03 E0= 0.65990052E+03 EK= 0.47676E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355829243669E+03 0.11334E+00 -0.14010E-01 8100 0.211E+01 0.302E-01 RMM: 2 -0.355839264866E+03 -0.10021E-01 -0.81915E-02 5183 0.666E-01 0.806E-01 RMM: 3 -0.355834923900E+03 0.43410E-02 -0.81925E-03 5582 0.185E-01 0.227E-01 RMM: 4 -0.355835454219E+03 -0.53032E-03 -0.13354E-03 4700 0.877E-02 0.383E-01 RMM: 5 -0.355834510668E+03 0.94355E-03 -0.49933E-04 4411 0.577E-02 0.102E-01 RMM: 6 -0.355834449897E+03 0.60771E-04 -0.71838E-05 3499 0.224E-02 0.486E-02 RMM: 7 -0.355834468485E+03 -0.18588E-04 -0.34709E-05 2860 0.169E-02 9459 T= 5061. E= 0.67171898E+03 F= 0.62984778E+03 E0= 0.65980130E+03 EK= 0.41871E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355844766827E+03 -0.10317E-01 -0.12825E-01 7812 0.203E+01 0.291E-01 RMM: 2 -0.355854144237E+03 -0.93774E-02 -0.69028E-02 5122 0.611E-01 0.843E-01 RMM: 3 -0.355849467312E+03 0.46769E-02 -0.72240E-03 5507 0.178E-01 0.237E-01 RMM: 4 -0.355849845180E+03 -0.37787E-03 -0.13565E-03 4669 0.889E-02 0.350E-01 RMM: 5 -0.355849054666E+03 0.79051E-03 -0.43739E-04 4132 0.532E-02 0.989E-02 RMM: 6 -0.355849006780E+03 0.47886E-04 -0.71466E-05 3502 0.232E-02 0.612E-02 RMM: 7 -0.355849024258E+03 -0.17478E-04 -0.49789E-05 3199 0.193E-02 9460 T= 4796. E= 0.66929681E+03 F= 0.62961724E+03 E0= 0.65957263E+03 EK= 0.39680E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356047748796E+03 -0.19874E+00 -0.12326E-01 7848 0.203E+01 0.245E-01 RMM: 2 -0.356055531339E+03 -0.77825E-02 -0.52188E-02 5130 0.513E-01 0.797E-01 RMM: 3 -0.356051188397E+03 0.43429E-02 -0.52873E-03 5446 0.155E-01 0.175E-01 RMM: 4 -0.356051616610E+03 -0.42821E-03 -0.92934E-04 4613 0.725E-02 0.317E-01 RMM: 5 -0.356051018862E+03 0.59775E-03 -0.32219E-04 3928 0.467E-02 0.121E-01 RMM: 6 -0.356050930392E+03 0.88470E-04 -0.10325E-04 3717 0.285E-02 0.467E-02 RMM: 7 -0.356050957007E+03 -0.26615E-04 -0.33225E-05 2938 0.168E-02 0.845E-02 RMM: 8 -0.356050910807E+03 0.46200E-04 -0.20530E-05 2560 0.152E-02 0.213E-02 RMM: 9 -0.356050909805E+03 0.10021E-05 -0.69529E-06 2443 0.751E-03 9461 T= 4982. E= 0.67041197E+03 F= 0.62919424E+03 E0= 0.65915620E+03 EK= 0.41218E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356434371291E+03 -0.38346E+00 -0.13529E-01 8424 0.212E+01 0.200E-01 RMM: 2 -0.356441515665E+03 -0.71444E-02 -0.50019E-02 5238 0.511E-01 0.726E-01 RMM: 3 -0.356437940962E+03 0.35747E-02 -0.46282E-03 5530 0.138E-01 0.146E-01 RMM: 4 -0.356438026026E+03 -0.85064E-04 -0.63354E-04 4610 0.607E-02 0.212E-01 RMM: 5 -0.356437783084E+03 0.24294E-03 -0.28967E-04 3956 0.469E-02 0.114E-01 RMM: 6 -0.356437726816E+03 0.56268E-04 -0.11844E-04 3837 0.302E-02 0.705E-02 RMM: 7 -0.356437741250E+03 -0.14435E-04 -0.42651E-05 3159 0.196E-02 9462 T= 5608. E= 0.67498559E+03 F= 0.62859018E+03 E0= 0.65856182E+03 EK= 0.46395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356925332663E+03 -0.48761E+00 -0.15718E-01 8532 0.228E+01 0.216E-01 RMM: 2 -0.356935527269E+03 -0.10195E-01 -0.68933E-02 5295 0.627E-01 0.864E-01 RMM: 3 -0.356930602349E+03 0.49249E-02 -0.65195E-03 5545 0.167E-01 0.199E-01 RMM: 4 -0.356930349141E+03 0.25321E-03 -0.56926E-04 4533 0.536E-02 0.130E-01 RMM: 5 -0.356930226638E+03 0.12250E-03 -0.31785E-04 4317 0.515E-02 0.102E-01 RMM: 6 -0.356930312351E+03 -0.85713E-04 -0.20095E-04 3894 0.371E-02 0.157E-01 RMM: 7 -0.356930207281E+03 0.10507E-03 -0.90301E-05 3678 0.283E-02 0.101E-01 RMM: 8 -0.356930144629E+03 0.62652E-04 -0.31307E-05 2975 0.168E-02 0.329E-02 RMM: 9 -0.356930147554E+03 -0.29254E-05 -0.17069E-05 2500 0.118E-02 9463 T= 6591. E= 0.68241497E+03 F= 0.62789099E+03 E0= 0.65787383E+03 EK= 0.54524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357361662836E+03 -0.43152E+00 -0.18565E-01 8424 0.246E+01 0.220E-01 RMM: 2 -0.357375510603E+03 -0.13848E-01 -0.96552E-02 5324 0.764E-01 0.983E-01 RMM: 3 -0.357369430887E+03 0.60797E-02 -0.90017E-03 5664 0.191E-01 0.220E-01 RMM: 4 -0.357369044799E+03 0.38609E-03 -0.71103E-04 4613 0.604E-02 0.129E-01 RMM: 5 -0.357368921441E+03 0.12336E-03 -0.18615E-04 3869 0.384E-02 0.944E-02 RMM: 6 -0.357368927928E+03 -0.64876E-05 -0.12447E-04 3843 0.306E-02 9464 T= 7645. E= 0.69050491E+03 F= 0.62725744E+03 E0= 0.65724772E+03 EK= 0.63247E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357554293753E+03 -0.18537E+00 -0.20738E-01 8256 0.260E+01 0.333E-01 RMM: 2 -0.357583212973E+03 -0.28919E-01 -0.11274E-01 5340 0.809E-01 0.178E+00 RMM: 3 -0.357562662906E+03 0.20550E-01 -0.13221E-02 5386 0.270E-01 0.342E-01 RMM: 4 -0.357561902155E+03 0.76075E-03 -0.14784E-03 4674 0.792E-02 0.140E-01 RMM: 5 -0.357561777304E+03 0.12485E-03 -0.44481E-04 4584 0.601E-02 0.136E-01 RMM: 6 -0.357561772029E+03 0.52751E-05 -0.26583E-04 4009 0.435E-02 0.145E-01 RMM: 7 -0.357561813644E+03 -0.41615E-04 -0.16265E-04 3888 0.350E-02 0.168E-01 RMM: 8 -0.357561633926E+03 0.17972E-03 -0.89651E-05 3637 0.275E-02 0.449E-02 RMM: 9 -0.357561633717E+03 0.20901E-06 -0.21988E-05 2579 0.135E-02 9465 T= 8261. E= 0.69521585E+03 F= 0.62687808E+03 E0= 0.65687373E+03 EK= 0.68338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357376772773E+03 0.18486E+00 -0.21172E-01 7896 0.262E+01 0.308E-01 RMM: 2 -0.357407985058E+03 -0.31212E-01 -0.10995E-01 5268 0.829E-01 0.186E+00 RMM: 3 -0.357385130468E+03 0.22855E-01 -0.13288E-02 5419 0.265E-01 0.271E-01 RMM: 4 -0.357384626469E+03 0.50400E-03 -0.14275E-03 4688 0.804E-02 0.146E-01 RMM: 5 -0.357384483209E+03 0.14326E-03 -0.26895E-04 3957 0.457E-02 0.110E-01 RMM: 6 -0.357384459101E+03 0.24108E-04 -0.12409E-04 3839 0.307E-02 0.105E-01 RMM: 7 -0.357384461223E+03 -0.21214E-05 -0.11943E-04 3876 0.303E-02 9466 T= 8045. E= 0.69341942E+03 F= 0.62686908E+03 E0= 0.65686041E+03 EK= 0.66550E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356862236948E+03 0.52222E+00 -0.19998E-01 7416 0.251E+01 0.322E-01 RMM: 2 -0.356878050250E+03 -0.15813E-01 -0.88371E-02 5040 0.705E-01 0.121E+00 RMM: 3 -0.356868225706E+03 0.98245E-02 -0.10177E-02 5428 0.227E-01 0.267E-01 RMM: 4 -0.356868371669E+03 -0.14596E-03 -0.15972E-03 4879 0.944E-02 0.318E-01 RMM: 5 -0.356867828690E+03 0.54298E-03 -0.45375E-04 4441 0.551E-02 0.167E-01 RMM: 6 -0.356867674193E+03 0.15450E-03 -0.13678E-04 3879 0.307E-02 0.736E-02 RMM: 7 -0.356867731262E+03 -0.57069E-04 -0.10022E-04 3779 0.264E-02 0.123E-01 RMM: 8 -0.356867633078E+03 0.98184E-04 -0.53115E-05 3319 0.224E-02 0.311E-02 RMM: 9 -0.356867633161E+03 -0.83552E-07 -0.11308E-05 2495 0.950E-03 9467 T= 7144. E= 0.68628885E+03 F= 0.62719126E+03 E0= 0.65717228E+03 EK= 0.59098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356160130629E+03 0.70750E+00 -0.18102E-01 7680 0.234E+01 0.266E-01 RMM: 2 -0.356173698856E+03 -0.13568E-01 -0.10415E-01 4884 0.756E-01 0.894E-01 RMM: 3 -0.356168250147E+03 0.54487E-02 -0.11495E-02 5550 0.222E-01 0.211E-01 RMM: 4 -0.356168414195E+03 -0.16405E-03 -0.12124E-03 4847 0.825E-02 0.286E-01 RMM: 5 -0.356167956806E+03 0.45739E-03 -0.32030E-04 4054 0.454E-02 0.142E-01 RMM: 6 -0.356167832365E+03 0.12444E-03 -0.11150E-04 3805 0.297E-02 0.485E-02 RMM: 7 -0.356167861695E+03 -0.29330E-04 -0.44101E-05 3147 0.185E-02 0.865E-02 RMM: 8 -0.356167814193E+03 0.47503E-04 -0.29227E-05 2750 0.176E-02 0.276E-02 RMM: 9 -0.356167811245E+03 0.29475E-05 -0.90855E-06 2455 0.882E-03 9468 T= 6075. E= 0.67793494E+03 F= 0.62768088E+03 E0= 0.65764393E+03 EK= 0.50254E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355456839817E+03 0.71097E+00 -0.16789E-01 7752 0.217E+01 0.333E-01 RMM: 2 -0.355468367219E+03 -0.11527E-01 -0.11097E-01 5000 0.785E-01 0.720E-01 RMM: 3 -0.355465191674E+03 0.31755E-02 -0.11813E-02 5605 0.215E-01 0.309E-01 RMM: 4 -0.355465701505E+03 -0.50983E-03 -0.16066E-03 4947 0.969E-02 0.446E-01 RMM: 5 -0.355464414737E+03 0.12868E-02 -0.66649E-04 4556 0.670E-02 0.942E-02 RMM: 6 -0.355464375345E+03 0.39391E-04 -0.87077E-05 3619 0.236E-02 0.660E-02 RMM: 7 -0.355464382083E+03 -0.67380E-05 -0.47528E-05 3154 0.193E-02 9469 T= 5252. E= 0.67160406E+03 F= 0.62815585E+03 E0= 0.65809621E+03 EK= 0.43448E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354881624178E+03 0.58275E+00 -0.14197E-01 7824 0.206E+01 0.334E-01 RMM: 2 -0.354892674039E+03 -0.11050E-01 -0.83841E-02 5053 0.688E-01 0.917E-01 RMM: 3 -0.354887292455E+03 0.53816E-02 -0.92467E-03 5487 0.205E-01 0.267E-01 RMM: 4 -0.354887876518E+03 -0.58406E-03 -0.16724E-03 4849 0.980E-02 0.413E-01 RMM: 5 -0.354886796343E+03 0.10802E-02 -0.57226E-04 4527 0.616E-02 0.132E-01 RMM: 6 -0.354886702284E+03 0.94059E-04 -0.11249E-04 3791 0.274E-02 0.655E-02 RMM: 7 -0.354886733460E+03 -0.31176E-04 -0.59924E-05 3388 0.208E-02 0.105E-01 RMM: 8 -0.354886663369E+03 0.70091E-04 -0.35093E-05 3009 0.185E-02 0.290E-02 RMM: 9 -0.354886666530E+03 -0.31608E-05 -0.14342E-05 2499 0.106E-02 9470 T= 4843. E= 0.66855542E+03 F= 0.62848999E+03 E0= 0.65840420E+03 EK= 0.40065E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354493581685E+03 0.39308E+00 -0.13635E-01 7752 0.203E+01 0.282E-01 RMM: 2 -0.354502810450E+03 -0.92288E-02 -0.64294E-02 5092 0.584E-01 0.867E-01 RMM: 3 -0.354497778869E+03 0.50316E-02 -0.69372E-03 5449 0.176E-01 0.210E-01 RMM: 4 -0.354498363668E+03 -0.58480E-03 -0.12111E-03 4662 0.833E-02 0.372E-01 RMM: 5 -0.354497502934E+03 0.86073E-03 -0.42725E-04 4228 0.536E-02 0.128E-01 RMM: 6 -0.354497402554E+03 0.10038E-03 -0.11404E-04 3812 0.291E-02 0.460E-02 RMM: 7 -0.354497434428E+03 -0.31874E-04 -0.37492E-05 3018 0.174E-02 0.883E-02 RMM: 8 -0.354497384207E+03 0.50221E-04 -0.23941E-05 2616 0.163E-02 0.215E-02 RMM: 9 -0.354497383604E+03 0.60336E-06 -0.68527E-06 2451 0.730E-03 9471 T= 4882. E= 0.66901946E+03 F= 0.62862879E+03 E0= 0.65851307E+03 EK= 0.40391E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354296311810E+03 0.20107E+00 -0.14005E-01 8124 0.210E+01 0.243E-01 RMM: 2 -0.354304187366E+03 -0.78756E-02 -0.50902E-02 5147 0.527E-01 0.818E-01 RMM: 3 -0.354299626281E+03 0.45611E-02 -0.52434E-03 5456 0.153E-01 0.165E-01 RMM: 4 -0.354299901655E+03 -0.27537E-03 -0.94112E-04 4616 0.753E-02 0.280E-01 RMM: 5 -0.354299440467E+03 0.46119E-03 -0.33924E-04 3963 0.486E-02 0.125E-01 RMM: 6 -0.354299371860E+03 0.68606E-04 -0.10935E-04 3804 0.286E-02 0.775E-02 RMM: 7 -0.354299373064E+03 -0.12036E-05 -0.54005E-05 3334 0.216E-02 9472 T= 5370. E= 0.67300466E+03 F= 0.62857978E+03 E0= 0.65843084E+03 EK= 0.44425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354229552884E+03 0.69819E-01 -0.15573E-01 8400 0.224E+01 0.218E-01 RMM: 2 -0.354238148072E+03 -0.85952E-02 -0.61937E-02 5217 0.588E-01 0.773E-01 RMM: 3 -0.354234233616E+03 0.39145E-02 -0.61311E-03 5540 0.158E-01 0.200E-01 RMM: 4 -0.354234039325E+03 0.19429E-03 -0.62314E-04 4616 0.599E-02 0.163E-01 RMM: 5 -0.354233874247E+03 0.16508E-03 -0.42394E-04 4544 0.586E-02 0.115E-01 RMM: 6 -0.354233911618E+03 -0.37372E-04 -0.18246E-04 3882 0.346E-02 0.141E-01 RMM: 7 -0.354233839653E+03 0.71966E-04 -0.88696E-05 3686 0.285E-02 0.991E-02 RMM: 8 -0.354233777159E+03 0.62494E-04 -0.29860E-05 2970 0.167E-02 0.313E-02 RMM: 9 -0.354233778343E+03 -0.11842E-05 -0.13680E-05 2485 0.105E-02 9473 T= 6262. E= 0.68021136E+03 F= 0.62841039E+03 E0= 0.65822335E+03 EK= 0.51801E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354163561622E+03 0.70216E-01 -0.18249E-01 8316 0.242E+01 0.201E-01 RMM: 2 -0.354175886770E+03 -0.12325E-01 -0.86126E-02 5260 0.714E-01 0.904E-01 RMM: 3 -0.354170533527E+03 0.53532E-02 -0.81801E-03 5594 0.181E-01 0.176E-01 RMM: 4 -0.354170267033E+03 0.26649E-03 -0.58972E-04 4617 0.568E-02 0.126E-01 RMM: 5 -0.354170149052E+03 0.11798E-03 -0.17935E-04 3872 0.386E-02 0.899E-02 RMM: 6 -0.354170196950E+03 -0.47898E-04 -0.14084E-04 3878 0.321E-02 0.133E-01 RMM: 7 -0.354170114793E+03 0.82157E-04 -0.93474E-05 3830 0.279E-02 0.933E-02 RMM: 8 -0.354170057847E+03 0.56947E-04 -0.29899E-05 2833 0.167E-02 0.241E-02 RMM: 9 -0.354170056885E+03 0.96228E-06 -0.11881E-05 2453 0.101E-02 9474 T= 7353. E= 0.68908431E+03 F= 0.62825458E+03 E0= 0.65802455E+03 EK= 0.60830E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353921274878E+03 0.24878E+00 -0.20261E-01 8520 0.258E+01 0.194E-01 RMM: 2 -0.353933020826E+03 -0.11746E-01 -0.95999E-02 5344 0.761E-01 0.773E-01 RMM: 3 -0.353929370951E+03 0.36499E-02 -0.86519E-03 5722 0.178E-01 0.214E-01 RMM: 4 -0.353928998835E+03 0.37212E-03 -0.49641E-04 4422 0.533E-02 0.139E-01 RMM: 5 -0.353928867419E+03 0.13142E-03 -0.16598E-04 3876 0.369E-02 0.119E-01 RMM: 6 -0.353929004004E+03 -0.13659E-03 -0.22276E-04 3898 0.394E-02 0.206E-01 RMM: 7 -0.353928737006E+03 0.26700E-03 -0.20971E-04 3898 0.417E-02 0.870E-02 RMM: 8 -0.353928690664E+03 0.46342E-04 -0.39984E-05 2993 0.188E-02 0.398E-02 RMM: 9 -0.353928686321E+03 0.43429E-05 -0.33652E-05 2521 0.171E-02 9475 T= 8182. E= 0.69597874E+03 F= 0.62828916E+03 E0= 0.65801152E+03 EK= 0.67690E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353360117332E+03 0.56857E+00 -0.22026E-01 8292 0.264E+01 0.216E-01 RMM: 2 -0.353373742856E+03 -0.13626E-01 -0.10264E-01 5300 0.786E-01 0.910E-01 RMM: 3 -0.353368535443E+03 0.52074E-02 -0.97501E-03 5761 0.191E-01 0.209E-01 RMM: 4 -0.353368154354E+03 0.38109E-03 -0.64548E-04 4650 0.605E-02 0.143E-01 RMM: 5 -0.353368005908E+03 0.14845E-03 -0.19228E-04 3879 0.397E-02 0.101E-01 RMM: 6 -0.353368094245E+03 -0.88337E-04 -0.17307E-04 3886 0.352E-02 0.165E-01 RMM: 7 -0.353367945667E+03 0.14858E-03 -0.13059E-04 3881 0.323E-02 0.959E-02 RMM: 8 -0.353367886815E+03 0.58852E-04 -0.37688E-05 3017 0.181E-02 0.322E-02 RMM: 9 -0.353367888479E+03 -0.16643E-05 -0.22505E-05 2493 0.139E-02 9476 T= 8248. E= 0.69687859E+03 F= 0.62864825E+03 E0= 0.65831976E+03 EK= 0.68230E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352476115695E+03 0.89177E+00 -0.21219E-01 8088 0.257E+01 0.225E-01 RMM: 2 -0.352486259888E+03 -0.10144E-01 -0.85289E-02 5216 0.682E-01 0.720E-01 RMM: 3 -0.352482652588E+03 0.36073E-02 -0.79436E-03 5821 0.175E-01 0.175E-01 RMM: 4 -0.352482579588E+03 0.73000E-04 -0.72906E-04 4639 0.662E-02 0.209E-01 RMM: 5 -0.352482305523E+03 0.27407E-03 -0.34788E-04 4320 0.515E-02 0.110E-01 RMM: 6 -0.352482310437E+03 -0.49140E-05 -0.15850E-04 3881 0.329E-02 9477 T= 7502. E= 0.69138667E+03 F= 0.62932740E+03 E0= 0.65894830E+03 EK= 0.62059E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351398312361E+03 0.10840E+01 -0.18608E-01 7848 0.240E+01 0.447E-01 RMM: 2 -0.351438004487E+03 -0.39692E-01 -0.98011E-02 5094 0.756E-01 0.225E+00 RMM: 3 -0.351404129639E+03 0.33875E-01 -0.17280E-02 5343 0.323E-01 0.366E-01 RMM: 4 -0.351403765319E+03 0.36432E-03 -0.25589E-03 5199 0.110E-01 0.305E-01 RMM: 5 -0.351403526291E+03 0.23903E-03 -0.57763E-04 4582 0.584E-02 0.258E-01 RMM: 6 -0.351403107103E+03 0.41919E-03 -0.24862E-04 3890 0.413E-02 0.768E-02 RMM: 7 -0.351403143398E+03 -0.36295E-04 -0.11578E-04 3846 0.283E-02 0.111E-01 RMM: 8 -0.351403067734E+03 0.75664E-04 -0.52845E-05 3321 0.211E-02 0.509E-02 RMM: 9 -0.351403053441E+03 0.14293E-04 -0.16747E-05 2531 0.122E-02 9478 T= 6407. E= 0.68318781E+03 F= 0.63018689E+03 E0= 0.65975894E+03 EK= 0.53001E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350310032910E+03 0.10930E+01 -0.15528E-01 7944 0.221E+01 0.403E-01 RMM: 2 -0.350340294763E+03 -0.30262E-01 -0.90405E-02 5224 0.722E-01 0.191E+00 RMM: 3 -0.350315494529E+03 0.24800E-01 -0.13932E-02 5340 0.287E-01 0.340E-01 RMM: 4 -0.350315542430E+03 -0.47901E-04 -0.25975E-03 5237 0.117E-01 0.360E-01 RMM: 5 -0.350314963378E+03 0.57905E-03 -0.56349E-04 4544 0.614E-02 0.223E-01 RMM: 6 -0.350314632620E+03 0.33076E-03 -0.16732E-04 3873 0.341E-02 0.464E-02 RMM: 7 -0.350314644333E+03 -0.11713E-04 -0.43115E-05 3120 0.182E-02 9479 T= 5458. E= 0.67618880E+03 F= 0.63103778E+03 E0= 0.66056484E+03 EK= 0.45151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349361667813E+03 0.95296E+00 -0.13154E-01 8508 0.207E+01 0.389E-01 RMM: 2 -0.349378125412E+03 -0.16458E-01 -0.71993E-02 5312 0.645E-01 0.138E+00 RMM: 3 -0.349365582539E+03 0.12543E-01 -0.89437E-03 5354 0.222E-01 0.297E-01 RMM: 4 -0.349366290631E+03 -0.70809E-03 -0.23374E-03 4970 0.115E-01 0.450E-01 RMM: 5 -0.349365070640E+03 0.12200E-02 -0.70068E-04 4553 0.698E-02 0.170E-01 RMM: 6 -0.349364887344E+03 0.18330E-03 -0.13044E-04 3868 0.292E-02 0.573E-02 RMM: 7 -0.349364926139E+03 -0.38795E-04 -0.68432E-05 3483 0.217E-02 0.106E-01 RMM: 8 -0.349364852057E+03 0.74082E-04 -0.42162E-05 3129 0.198E-02 0.294E-02 RMM: 9 -0.349364858457E+03 -0.64002E-05 -0.15841E-05 2518 0.111E-02 9480 T= 4899. E= 0.67226001E+03 F= 0.63173402E+03 E0= 0.66122023E+03 EK= 0.40526E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348635857311E+03 0.72899E+00 -0.12064E-01 8136 0.201E+01 0.297E-01 RMM: 2 -0.348643074429E+03 -0.72171E-02 -0.61250E-02 5053 0.577E-01 0.715E-01 RMM: 3 -0.348639732001E+03 0.33424E-02 -0.66175E-03 5445 0.172E-01 0.245E-01 RMM: 4 -0.348640312167E+03 -0.58017E-03 -0.12858E-03 4653 0.867E-02 0.389E-01 RMM: 5 -0.348639324229E+03 0.98794E-03 -0.48989E-04 4340 0.570E-02 0.107E-01 RMM: 6 -0.348639257935E+03 0.66294E-04 -0.86088E-05 3621 0.244E-02 0.498E-02 RMM: 7 -0.348639276671E+03 -0.18736E-04 -0.35187E-05 2966 0.169E-02 9481 T= 4793. E= 0.67184632E+03 F= 0.63219767E+03 E0= 0.66164698E+03 EK= 0.39649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348162673575E+03 0.47658E+00 -0.12615E-01 7944 0.204E+01 0.274E-01 RMM: 2 -0.348170558799E+03 -0.78852E-02 -0.62160E-02 4896 0.585E-01 0.746E-01 RMM: 3 -0.348166895322E+03 0.36635E-02 -0.70449E-03 5520 0.174E-01 0.210E-01 RMM: 4 -0.348167253669E+03 -0.35835E-03 -0.11143E-03 4639 0.796E-02 0.334E-01 RMM: 5 -0.348166547815E+03 0.70585E-03 -0.42201E-04 4180 0.526E-02 0.112E-01 RMM: 6 -0.348166499228E+03 0.48587E-04 -0.11218E-04 3793 0.283E-02 0.772E-02 RMM: 7 -0.348166507030E+03 -0.78025E-05 -0.45018E-05 3168 0.194E-02 9482 T= 5149. E= 0.67501015E+03 F= 0.63241101E+03 E0= 0.66182720E+03 EK= 0.42599E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347917784340E+03 0.24871E+00 -0.13910E-01 8124 0.216E+01 0.216E-01 RMM: 2 -0.347926223358E+03 -0.84390E-02 -0.63067E-02 4929 0.590E-01 0.731E-01 RMM: 3 -0.347922535697E+03 0.36877E-02 -0.69196E-03 5582 0.167E-01 0.163E-01 RMM: 4 -0.347922574277E+03 -0.38580E-04 -0.75313E-04 4609 0.661E-02 0.220E-01 RMM: 5 -0.347922294381E+03 0.27990E-03 -0.37958E-04 4448 0.539E-02 0.117E-01 RMM: 6 -0.347922264434E+03 0.29947E-04 -0.16318E-04 3879 0.332E-02 0.997E-02 RMM: 7 -0.347922241883E+03 0.22550E-04 -0.60196E-05 3453 0.244E-02 0.867E-02 RMM: 8 -0.347922192643E+03 0.49241E-04 -0.18833E-05 2574 0.137E-02 0.250E-02 RMM: 9 -0.347922192667E+03 -0.24007E-07 -0.92934E-06 2457 0.868E-03 9483 T= 5952. E= 0.68165061E+03 F= 0.63240833E+03 E0= 0.66179602E+03 EK= 0.49242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347812262958E+03 0.10993E+00 -0.16249E-01 8400 0.234E+01 0.176E-01 RMM: 2 -0.347822821799E+03 -0.10559E-01 -0.78357E-02 5119 0.673E-01 0.785E-01 RMM: 3 -0.347818792096E+03 0.40297E-02 -0.81560E-03 5787 0.170E-01 0.169E-01 RMM: 4 -0.347818516974E+03 0.27512E-03 -0.50348E-04 4374 0.529E-02 0.117E-01 RMM: 5 -0.347818402446E+03 0.11453E-03 -0.20734E-04 3891 0.424E-02 0.810E-02 RMM: 6 -0.347818482927E+03 -0.80481E-04 -0.17018E-04 3900 0.347E-02 0.144E-01 RMM: 7 -0.347818374093E+03 0.10883E-03 -0.82135E-05 3655 0.271E-02 0.776E-02 RMM: 8 -0.347818333464E+03 0.40629E-04 -0.19930E-05 2553 0.136E-02 0.208E-02 RMM: 9 -0.347818332337E+03 0.11272E-05 -0.10358E-05 2448 0.958E-03 9484 T= 7066. E= 0.69074050E+03 F= 0.63228276E+03 E0= 0.66164675E+03 EK= 0.58458E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347703850488E+03 0.11448E+00 -0.18416E-01 8640 0.252E+01 0.185E-01 RMM: 2 -0.347714892756E+03 -0.11042E-01 -0.92229E-02 5244 0.751E-01 0.737E-01 RMM: 3 -0.347711584245E+03 0.33085E-02 -0.90029E-03 5815 0.177E-01 0.194E-01 RMM: 4 -0.347711231635E+03 0.35261E-03 -0.47449E-04 4326 0.519E-02 0.134E-01 RMM: 5 -0.347711116394E+03 0.11524E-03 -0.15113E-04 3861 0.357E-02 0.115E-01 RMM: 6 -0.347711256909E+03 -0.14052E-03 -0.23989E-04 3965 0.413E-02 0.205E-01 RMM: 7 -0.347710995279E+03 0.26163E-03 -0.17697E-04 3886 0.378E-02 0.834E-02 RMM: 8 -0.347710952734E+03 0.42545E-04 -0.34041E-05 2839 0.175E-02 0.377E-02 RMM: 9 -0.347710950016E+03 0.27182E-05 -0.29160E-05 2510 0.158E-02 9485 T= 8091. E= 0.69911447E+03 F= 0.63217684E+03 E0= 0.66152314E+03 EK= 0.66938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347449259927E+03 0.26169E+00 -0.20331E-01 8280 0.263E+01 0.192E-01 RMM: 2 -0.347461764571E+03 -0.12505E-01 -0.10685E-01 5134 0.810E-01 0.762E-01 RMM: 3 -0.347458288493E+03 0.34761E-02 -0.11118E-02 5896 0.196E-01 0.187E-01 RMM: 4 -0.347457912718E+03 0.37577E-03 -0.57520E-04 4636 0.581E-02 0.142E-01 RMM: 5 -0.347457777701E+03 0.13502E-03 -0.16324E-04 3867 0.372E-02 0.102E-01 RMM: 6 -0.347457871218E+03 -0.93517E-04 -0.20315E-04 3912 0.381E-02 0.172E-01 RMM: 7 -0.347457689187E+03 0.18203E-03 -0.14039E-04 3882 0.340E-02 0.787E-02 RMM: 8 -0.347457649659E+03 0.39528E-04 -0.29389E-05 2648 0.163E-02 0.316E-02 RMM: 9 -0.347457648894E+03 0.76511E-06 -0.20947E-05 2485 0.135E-02 9486 T= 8451. E= 0.70213785E+03 F= 0.63222581E+03 E0= 0.66156120E+03 EK= 0.69912E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347007493958E+03 0.45016E+00 -0.19904E-01 7956 0.260E+01 0.217E-01 RMM: 2 -0.347018114370E+03 -0.10620E-01 -0.94402E-02 5178 0.723E-01 0.679E-01 RMM: 3 -0.347015015385E+03 0.30990E-02 -0.93191E-03 5951 0.180E-01 0.167E-01 RMM: 4 -0.347014860622E+03 0.15476E-03 -0.67915E-04 4654 0.648E-02 0.191E-01 RMM: 5 -0.347014617770E+03 0.24285E-03 -0.32819E-04 4238 0.504E-02 0.101E-01 RMM: 6 -0.347014671965E+03 -0.54195E-04 -0.18067E-04 3886 0.353E-02 0.138E-01 RMM: 7 -0.347014588000E+03 0.83965E-04 -0.76933E-05 3608 0.266E-02 0.881E-02 RMM: 8 -0.347014538550E+03 0.49450E-04 -0.23226E-05 2731 0.149E-02 0.274E-02 RMM: 9 -0.347014539379E+03 -0.82818E-06 -0.11052E-05 2465 0.943E-03 9487 T= 7898. E= 0.69780182E+03 F= 0.63246325E+03 E0= 0.66179435E+03 EK= 0.65339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346470318149E+03 0.54422E+00 -0.18376E-01 7848 0.245E+01 0.284E-01 RMM: 2 -0.346481108077E+03 -0.10790E-01 -0.92728E-02 5126 0.714E-01 0.769E-01 RMM: 3 -0.346477080936E+03 0.40271E-02 -0.92907E-03 5663 0.196E-01 0.198E-01 RMM: 4 -0.346477532073E+03 -0.45114E-03 -0.11774E-03 4741 0.836E-02 0.349E-01 RMM: 5 -0.346476744779E+03 0.78729E-03 -0.39697E-04 4122 0.508E-02 0.117E-01 RMM: 6 -0.346476674549E+03 0.70229E-04 -0.10125E-04 3683 0.271E-02 0.615E-02 RMM: 7 -0.346476705189E+03 -0.30640E-04 -0.50686E-05 3226 0.198E-02 0.976E-02 RMM: 8 -0.346476642561E+03 0.62628E-04 -0.31980E-05 2917 0.184E-02 0.237E-02 RMM: 9 -0.346476643625E+03 -0.10638E-05 -0.10494E-05 2468 0.908E-03 9488 T= 6806. E= 0.68908456E+03 F= 0.63278402E+03 E0= 0.66211763E+03 EK= 0.56301E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346008289392E+03 0.46835E+00 -0.15966E-01 7860 0.226E+01 0.345E-01 RMM: 2 -0.346020008872E+03 -0.11719E-01 -0.94937E-02 5220 0.735E-01 0.909E-01 RMM: 3 -0.346014706067E+03 0.53028E-02 -0.94896E-03 5544 0.203E-01 0.266E-01 RMM: 4 -0.346015417597E+03 -0.71153E-03 -0.18026E-03 4844 0.104E-01 0.439E-01 RMM: 5 -0.346014172648E+03 0.12449E-02 -0.63601E-04 4566 0.652E-02 0.119E-01 RMM: 6 -0.346014087477E+03 0.85171E-04 -0.98554E-05 3725 0.252E-02 0.563E-02 RMM: 7 -0.346014108006E+03 -0.20530E-04 -0.51178E-05 3262 0.197E-02 0.895E-02 RMM: 8 -0.346014055613E+03 0.52393E-04 -0.32720E-05 2927 0.179E-02 0.250E-02 RMM: 9 -0.346014062515E+03 -0.69024E-05 -0.14326E-05 2496 0.106E-02 9489 T= 5744. E= 0.68053129E+03 F= 0.63301142E+03 E0= 0.66235262E+03 EK= 0.47520E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345775801515E+03 0.23825E+00 -0.13507E-01 7908 0.211E+01 0.345E-01 RMM: 2 -0.345783975418E+03 -0.81739E-02 -0.71604E-02 5287 0.642E-01 0.782E-01 RMM: 3 -0.345780254480E+03 0.37209E-02 -0.72940E-03 5389 0.187E-01 0.294E-01 RMM: 4 -0.345780936810E+03 -0.68233E-03 -0.15374E-03 4682 0.950E-02 0.442E-01 RMM: 5 -0.345779652250E+03 0.12846E-02 -0.61810E-04 4550 0.642E-02 0.116E-01 RMM: 6 -0.345779572386E+03 0.79864E-04 -0.94143E-05 3687 0.243E-02 0.536E-02 RMM: 7 -0.345779589626E+03 -0.17241E-04 -0.44596E-05 3130 0.190E-02 9490 T= 5048. E= 0.67475299E+03 F= 0.63299194E+03 E0= 0.66234591E+03 EK= 0.41761E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345870877262E+03 -0.91305E-01 -0.12280E-01 7932 0.203E+01 0.327E-01 RMM: 2 -0.345877452372E+03 -0.65751E-02 -0.52898E-02 5259 0.549E-01 0.769E-01 RMM: 3 -0.345873815303E+03 0.36371E-02 -0.58779E-03 5373 0.173E-01 0.274E-01 RMM: 4 -0.345874548292E+03 -0.73299E-03 -0.14189E-03 4646 0.905E-02 0.437E-01 RMM: 5 -0.345873267320E+03 0.12810E-02 -0.58050E-04 4501 0.622E-02 0.851E-02 RMM: 6 -0.345873253205E+03 0.14116E-04 -0.97143E-05 3700 0.251E-02 9491 T= 4814. E= 0.67245651E+03 F= 0.63263129E+03 E0= 0.66200311E+03 EK= 0.39825E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346339651944E+03 -0.46638E+00 -0.12520E-01 8340 0.204E+01 0.344E-01 RMM: 2 -0.346356847305E+03 -0.17195E-01 -0.47446E-02 5237 0.508E-01 0.148E+00 RMM: 3 -0.346342124817E+03 0.14722E-01 -0.79884E-03 5347 0.218E-01 0.284E-01 RMM: 4 -0.346342042246E+03 0.82571E-04 -0.16529E-03 4666 0.928E-02 0.279E-01 RMM: 5 -0.346341701691E+03 0.34055E-03 -0.46535E-04 4385 0.562E-02 0.188E-01 RMM: 6 -0.346341484748E+03 0.21694E-03 -0.16248E-04 3888 0.348E-02 0.701E-02 RMM: 7 -0.346341511909E+03 -0.27160E-04 -0.74090E-05 3531 0.235E-02 0.984E-02 RMM: 8 -0.346341452496E+03 0.59412E-04 -0.34493E-05 3043 0.190E-02 0.455E-02 RMM: 9 -0.346341440347E+03 0.12149E-04 -0.11383E-05 2489 0.101E-02 9492 T= 5050. E= 0.67367040E+03 F= 0.63189324E+03 E0= 0.66128811E+03 EK= 0.41777E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347172689926E+03 -0.83124E+00 -0.13893E-01 8880 0.215E+01 0.338E-01 RMM: 2 -0.347197245783E+03 -0.24556E-01 -0.61676E-02 5237 0.606E-01 0.176E+00 RMM: 3 -0.347176565577E+03 0.20680E-01 -0.10665E-02 5333 0.258E-01 0.343E-01 RMM: 4 -0.347175805080E+03 0.76050E-03 -0.14917E-03 4643 0.857E-02 0.136E-01 RMM: 5 -0.347175871658E+03 -0.66578E-04 -0.48611E-04 4559 0.613E-02 0.197E-01 RMM: 6 -0.347175633998E+03 0.23766E-03 -0.17890E-04 3883 0.364E-02 0.680E-02 RMM: 7 -0.347175692332E+03 -0.58334E-04 -0.97848E-05 3710 0.275E-02 0.117E-01 RMM: 8 -0.347175604979E+03 0.87353E-04 -0.41758E-05 3182 0.204E-02 0.370E-02 RMM: 9 -0.347175596479E+03 0.84996E-05 -0.73875E-06 2469 0.806E-03 9493 T= 5738. E= 0.67826319E+03 F= 0.63079692E+03 E0= 0.66022120E+03 EK= 0.47466E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348285422711E+03 -0.11098E+01 -0.17137E-01 8712 0.232E+01 0.265E-01 RMM: 2 -0.348303580940E+03 -0.18158E-01 -0.87211E-02 5273 0.717E-01 0.131E+00 RMM: 3 -0.348292197523E+03 0.11383E-01 -0.94912E-03 5401 0.220E-01 0.249E-01 RMM: 4 -0.348291801318E+03 0.39620E-03 -0.95143E-04 4682 0.663E-02 0.134E-01 RMM: 5 -0.348291674828E+03 0.12649E-03 -0.35642E-04 4432 0.548E-02 0.122E-01 RMM: 6 -0.348291706573E+03 -0.31745E-04 -0.20364E-04 3886 0.378E-02 0.150E-01 RMM: 7 -0.348291626872E+03 0.79701E-04 -0.12354E-04 3882 0.316E-02 0.111E-01 RMM: 8 -0.348291548197E+03 0.78675E-04 -0.49403E-05 3281 0.207E-02 0.388E-02 RMM: 9 -0.348291545558E+03 0.26388E-05 -0.15378E-05 2503 0.113E-02 9494 T= 6771. E= 0.68544790E+03 F= 0.62943332E+03 E0= 0.65889319E+03 EK= 0.56015E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349504059880E+03 -0.12125E+01 -0.20783E-01 8904 0.252E+01 0.233E-01 RMM: 2 -0.349519814349E+03 -0.15754E-01 -0.11440E-01 5364 0.840E-01 0.101E+00 RMM: 3 -0.349513391404E+03 0.64229E-02 -0.10445E-02 5620 0.214E-01 0.214E-01 RMM: 4 -0.349513041788E+03 0.34962E-03 -0.75992E-04 4697 0.614E-02 0.142E-01 RMM: 5 -0.349512905117E+03 0.13667E-03 -0.19442E-04 3879 0.394E-02 0.119E-01 RMM: 6 -0.349512978883E+03 -0.73765E-04 -0.18864E-04 3888 0.368E-02 0.175E-01 RMM: 7 -0.349512809164E+03 0.16972E-03 -0.16694E-04 3885 0.374E-02 0.101E-01 RMM: 8 -0.349512742471E+03 0.66693E-04 -0.41317E-05 3038 0.192E-02 0.377E-02 RMM: 9 -0.349512737110E+03 0.53610E-05 -0.25259E-05 2493 0.148E-02 9495 T= 7819. E= 0.69266286E+03 F= 0.62797944E+03 E0= 0.65747922E+03 EK= 0.64683E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350594479185E+03 -0.10817E+01 -0.23510E-01 8892 0.265E+01 0.217E-01 RMM: 2 -0.350610221593E+03 -0.15742E-01 -0.13317E-01 5350 0.897E-01 0.855E-01 RMM: 3 -0.350605822327E+03 0.43993E-02 -0.11906E-02 5839 0.207E-01 0.233E-01 RMM: 4 -0.350605337920E+03 0.48441E-03 -0.64429E-04 4678 0.595E-02 0.159E-01 RMM: 5 -0.350605179043E+03 0.15888E-03 -0.18357E-04 3879 0.386E-02 0.133E-01 RMM: 6 -0.350605321407E+03 -0.14236E-03 -0.28016E-04 4191 0.447E-02 0.219E-01 RMM: 7 -0.350605025043E+03 0.29636E-03 -0.20476E-04 3886 0.395E-02 0.101E-01 RMM: 8 -0.350604960892E+03 0.64151E-04 -0.58306E-05 3358 0.215E-02 0.440E-02 RMM: 9 -0.350604953276E+03 0.76159E-05 -0.35002E-05 2540 0.176E-02 9496 T= 8340. E= 0.69565642E+03 F= 0.62666357E+03 E0= 0.65620397E+03 EK= 0.68993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351366283932E+03 -0.76132E+00 -0.23329E-01 8448 0.265E+01 0.220E-01 RMM: 2 -0.351380157849E+03 -0.13874E-01 -0.11445E-01 5257 0.810E-01 0.814E-01 RMM: 3 -0.351375595058E+03 0.45628E-02 -0.10334E-02 5901 0.198E-01 0.192E-01 RMM: 4 -0.351375262019E+03 0.33304E-03 -0.62084E-04 4628 0.595E-02 0.150E-01 RMM: 5 -0.351375091955E+03 0.17006E-03 -0.26762E-04 4040 0.473E-02 0.107E-01 RMM: 6 -0.351375218958E+03 -0.12700E-03 -0.24527E-04 3921 0.413E-02 0.183E-01 RMM: 7 -0.351375051891E+03 0.16707E-03 -0.13518E-04 3879 0.334E-02 0.103E-01 RMM: 8 -0.351374984528E+03 0.67362E-04 -0.36214E-05 3025 0.178E-02 0.348E-02 RMM: 9 -0.351374984125E+03 0.40382E-06 -0.18109E-05 2494 0.123E-02 9497 T= 7992. E= 0.69178119E+03 F= 0.62566880E+03 E0= 0.65524619E+03 EK= 0.66112E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351770536492E+03 -0.39555E+00 -0.21453E-01 7920 0.252E+01 0.252E-01 RMM: 2 -0.351781916044E+03 -0.11380E-01 -0.11007E-01 5055 0.746E-01 0.577E-01 RMM: 3 -0.351778723654E+03 0.31924E-02 -0.98924E-03 5745 0.213E-01 0.197E-01 RMM: 4 -0.351779045109E+03 -0.32146E-03 -0.10261E-03 4896 0.798E-02 0.320E-01 RMM: 5 -0.351778378346E+03 0.66676E-03 -0.41335E-04 4458 0.546E-02 0.105E-01 RMM: 6 -0.351778363426E+03 0.14920E-04 -0.14554E-04 3880 0.319E-02 9498 T= 7010. E= 0.68302160E+03 F= 0.62502864E+03 E0= 0.65463785E+03 EK= 0.57993E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351906125351E+03 -0.12775E+00 -0.19643E-01 8040 0.234E+01 0.447E-01 RMM: 2 -0.351938873171E+03 -0.32748E-01 -0.11326E-01 5068 0.804E-01 0.195E+00 RMM: 3 -0.351912921353E+03 0.25952E-01 -0.16621E-02 5353 0.312E-01 0.326E-01 RMM: 4 -0.351913372731E+03 -0.45138E-03 -0.28904E-03 5326 0.125E-01 0.431E-01 RMM: 5 -0.351912440555E+03 0.93218E-03 -0.69987E-04 4602 0.677E-02 0.239E-01 RMM: 6 -0.351912074365E+03 0.36619E-03 -0.24207E-04 3895 0.416E-02 0.820E-02 RMM: 7 -0.351912122058E+03 -0.47693E-04 -0.11915E-04 3856 0.287E-02 0.123E-01 RMM: 8 -0.351912025414E+03 0.96644E-04 -0.63054E-05 3440 0.227E-02 0.513E-02 RMM: 9 -0.351912012636E+03 0.12778E-04 -0.18038E-05 2553 0.126E-02 9499 T= 5937. E= 0.67375200E+03 F= 0.62463799E+03 E0= 0.65427090E+03 EK= 0.49114E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351916951979E+03 -0.49266E-02 -0.17275E-01 8136 0.216E+01 0.436E-01 RMM: 2 -0.351947577664E+03 -0.30626E-01 -0.10712E-01 5092 0.788E-01 0.191E+00 RMM: 3 -0.351923399178E+03 0.24178E-01 -0.15051E-02 5361 0.298E-01 0.314E-01 RMM: 4 -0.351924161303E+03 -0.76213E-03 -0.30673E-03 5325 0.128E-01 0.478E-01 RMM: 5 -0.351922925296E+03 0.12360E-02 -0.80796E-04 4594 0.771E-02 0.215E-01 RMM: 6 -0.351922610515E+03 0.31478E-03 -0.18148E-04 3879 0.357E-02 0.494E-02 RMM: 7 -0.351922623115E+03 -0.12601E-04 -0.52584E-05 3274 0.204E-02 9500 T= 5153. E= 0.66697504E+03 F= 0.62434781E+03 E0= 0.65399894E+03 EK= 0.42627E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351927364201E+03 -0.47537E-02 -0.15093E-01 8112 0.205E+01 0.396E-01 RMM: 2 -0.351941841818E+03 -0.14478E-01 -0.77855E-02 5192 0.662E-01 0.124E+00 RMM: 3 -0.351931684186E+03 0.10158E-01 -0.91947E-03 5363 0.226E-01 0.304E-01 RMM: 4 -0.351932665193E+03 -0.98101E-03 -0.24827E-03 5194 0.121E-01 0.494E-01 RMM: 5 -0.351931138808E+03 0.15264E-02 -0.83061E-04 4599 0.766E-02 0.163E-01 RMM: 6 -0.351930981505E+03 0.15730E-03 -0.13963E-04 3871 0.304E-02 0.690E-02 RMM: 7 -0.351931016596E+03 -0.35091E-04 -0.81046E-05 3595 0.235E-02 0.111E-01 RMM: 8 -0.351930936660E+03 0.79936E-04 -0.50097E-05 3255 0.215E-02 0.379E-02 RMM: 9 -0.351930936457E+03 0.20297E-06 -0.15822E-05 2520 0.114E-02 9501 T= 4792. E= 0.66368855E+03 F= 0.62404221E+03 E0= 0.65370760E+03 EK= 0.39646E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352003493484E+03 -0.72557E-01 -0.14283E-01 8028 0.203E+01 0.300E-01 RMM: 2 -0.352010234996E+03 -0.67415E-02 -0.61446E-02 5008 0.561E-01 0.669E-01 RMM: 3 -0.352007266809E+03 0.29682E-02 -0.60418E-03 5435 0.169E-01 0.252E-01 RMM: 4 -0.352007906676E+03 -0.63987E-03 -0.12580E-03 4716 0.868E-02 0.408E-01 RMM: 5 -0.352006835934E+03 0.10707E-02 -0.56091E-04 4547 0.632E-02 0.105E-01 RMM: 6 -0.352006778291E+03 0.57644E-04 -0.10451E-04 3784 0.265E-02 0.634E-02 RMM: 7 -0.352006795872E+03 -0.17582E-04 -0.44015E-05 3169 0.195E-02 9502 T= 4876. E= 0.66399962E+03 F= 0.62366209E+03 E0= 0.65333863E+03 EK= 0.40338E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352159093413E+03 -0.15232E+00 -0.15110E-01 8388 0.209E+01 0.274E-01 RMM: 2 -0.352166046040E+03 -0.69526E-02 -0.65377E-02 5136 0.573E-01 0.600E-01 RMM: 3 -0.352163521724E+03 0.25243E-02 -0.64051E-03 5564 0.161E-01 0.206E-01 RMM: 4 -0.352164033024E+03 -0.51130E-03 -0.11317E-03 4686 0.841E-02 0.370E-01 RMM: 5 -0.352163153067E+03 0.87996E-03 -0.52254E-04 4530 0.602E-02 0.111E-01 RMM: 6 -0.352163141950E+03 0.11116E-04 -0.15073E-04 3883 0.321E-02 9503 T= 5398. E= 0.66786350E+03 F= 0.62320733E+03 E0= 0.65289264E+03 EK= 0.44656E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352340937814E+03 -0.17778E+00 -0.17625E-01 8916 0.224E+01 0.358E-01 RMM: 2 -0.352370699900E+03 -0.29762E-01 -0.84417E-02 5183 0.688E-01 0.191E+00 RMM: 3 -0.352346721357E+03 0.23979E-01 -0.13060E-02 5360 0.280E-01 0.354E-01 RMM: 4 -0.352345934087E+03 0.78727E-03 -0.16106E-03 4712 0.849E-02 0.157E-01 RMM: 5 -0.352345951574E+03 -0.17487E-04 -0.58988E-04 4604 0.673E-02 0.212E-01 RMM: 6 -0.352345729149E+03 0.22242E-03 -0.41574E-04 4515 0.561E-02 0.112E-01 RMM: 7 -0.352345828471E+03 -0.99322E-04 -0.19820E-04 3888 0.377E-02 0.172E-01 RMM: 8 -0.352345642983E+03 0.18549E-03 -0.11389E-04 3819 0.328E-02 0.481E-02 RMM: 9 -0.352345635212E+03 0.77709E-05 -0.17194E-05 2555 0.124E-02 9504 T= 6306. E= 0.67491190E+03 F= 0.62274234E+03 E0= 0.65242969E+03 EK= 0.52170E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352420734354E+03 -0.75091E-01 -0.21106E-01 9144 0.242E+01 0.349E-01 RMM: 2 -0.352457876783E+03 -0.37142E-01 -0.10787E-01 5365 0.746E-01 0.209E+00 RMM: 3 -0.352428541672E+03 0.29335E-01 -0.14052E-02 5365 0.287E-01 0.333E-01 RMM: 4 -0.352427772391E+03 0.76928E-03 -0.16727E-03 4680 0.849E-02 0.129E-01 RMM: 5 -0.352427722045E+03 0.50346E-04 -0.35119E-04 4323 0.518E-02 0.146E-01 RMM: 6 -0.352427594049E+03 0.12800E-03 -0.18705E-04 3884 0.381E-02 0.809E-02 RMM: 7 -0.352427667809E+03 -0.73761E-04 -0.12837E-04 3884 0.307E-02 0.137E-01 RMM: 8 -0.352427547402E+03 0.12041E-03 -0.60439E-05 3391 0.233E-02 0.341E-02 RMM: 9 -0.352427542454E+03 0.49476E-05 -0.10144E-05 2480 0.918E-03 9505 T= 7384. E= 0.68348276E+03 F= 0.62239737E+03 E0= 0.65208043E+03 EK= 0.61085E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352225640604E+03 0.20191E+00 -0.25872E-01 8928 0.258E+01 0.257E-01 RMM: 2 -0.352248884246E+03 -0.23244E-01 -0.14933E-01 5242 0.890E-01 0.126E+00 RMM: 3 -0.352238052884E+03 0.10831E-01 -0.14306E-02 5583 0.248E-01 0.269E-01 RMM: 4 -0.352237530267E+03 0.52262E-03 -0.10486E-03 4901 0.664E-02 0.155E-01 RMM: 5 -0.352237357849E+03 0.17242E-03 -0.22758E-04 3947 0.449E-02 0.133E-01 RMM: 6 -0.352237528239E+03 -0.17039E-03 -0.28140E-04 4292 0.448E-02 0.229E-01 RMM: 7 -0.352237219167E+03 0.30907E-03 -0.21022E-04 3888 0.389E-02 0.110E-01 RMM: 8 -0.352237148803E+03 0.70364E-04 -0.62475E-05 3424 0.223E-02 0.519E-02 RMM: 9 -0.352237136643E+03 0.12160E-04 -0.58372E-05 3513 0.215E-02 9506 T= 8167. E= 0.68990465E+03 F= 0.62234040E+03 E0= 0.65200760E+03 EK= 0.67564E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351633875856E+03 0.60327E+00 -0.28318E-01 9060 0.264E+01 0.214E-01 RMM: 2 -0.351650607749E+03 -0.16732E-01 -0.14766E-01 5275 0.849E-01 0.769E-01 RMM: 3 -0.351646059212E+03 0.45485E-02 -0.12320E-02 5991 0.209E-01 0.196E-01 RMM: 4 -0.351645656327E+03 0.40288E-03 -0.66698E-04 4717 0.598E-02 0.149E-01 RMM: 5 -0.351645494583E+03 0.16174E-03 -0.25212E-04 3978 0.460E-02 0.105E-01 RMM: 6 -0.351645639867E+03 -0.14528E-03 -0.23665E-04 3908 0.406E-02 0.191E-01 RMM: 7 -0.351645460075E+03 0.17979E-03 -0.13719E-04 3884 0.335E-02 0.109E-01 RMM: 8 -0.351645385531E+03 0.74545E-04 -0.45129E-05 3195 0.192E-02 0.373E-02 RMM: 9 -0.351645386114E+03 -0.58327E-06 -0.26888E-05 2540 0.152E-02 9507 T= 8182. E= 0.69037586E+03 F= 0.62269117E+03 E0= 0.65232699E+03 EK= 0.67685E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350647657009E+03 0.99773E+00 -0.28266E-01 8856 0.257E+01 0.252E-01 RMM: 2 -0.350662428809E+03 -0.14772E-01 -0.14463E-01 5353 0.793E-01 0.594E-01 RMM: 3 -0.350658744164E+03 0.36846E-02 -0.98928E-03 5858 0.201E-01 0.192E-01 RMM: 4 -0.350658974196E+03 -0.23003E-03 -0.10186E-03 4738 0.797E-02 0.312E-01 RMM: 5 -0.350658332598E+03 0.64160E-03 -0.47559E-04 4513 0.580E-02 0.948E-02 RMM: 6 -0.350658411737E+03 -0.79138E-04 -0.20238E-04 3880 0.365E-02 0.148E-01 RMM: 7 -0.350658312244E+03 0.99493E-04 -0.84430E-05 3660 0.280E-02 0.891E-02 RMM: 8 -0.350658261446E+03 0.50798E-04 -0.25179E-05 2783 0.152E-02 0.285E-02 RMM: 9 -0.350658262427E+03 -0.98129E-06 -0.13076E-05 2473 0.103E-02 9508 T= 7416. E= 0.68478195E+03 F= 0.62343231E+03 E0= 0.65302236E+03 EK= 0.61350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349407622294E+03 0.12506E+01 -0.26140E-01 8952 0.241E+01 0.329E-01 RMM: 2 -0.349422798247E+03 -0.15176E-01 -0.14833E-01 5356 0.820E-01 0.710E-01 RMM: 3 -0.349418540117E+03 0.42581E-02 -0.10498E-02 5758 0.212E-01 0.269E-01 RMM: 4 -0.349419150221E+03 -0.61010E-03 -0.15169E-03 4888 0.941E-02 0.430E-01 RMM: 5 -0.349417946910E+03 0.12033E-02 -0.61847E-04 4576 0.643E-02 0.113E-01 RMM: 6 -0.349417885749E+03 0.61161E-04 -0.11491E-04 3833 0.273E-02 0.696E-02 RMM: 7 -0.349417915773E+03 -0.30024E-04 -0.64645E-05 3472 0.211E-02 0.106E-01 RMM: 8 -0.349417842963E+03 0.72810E-04 -0.40071E-05 3099 0.193E-02 0.247E-02 RMM: 9 -0.349417848004E+03 -0.50407E-05 -0.14290E-05 2494 0.106E-02 9509 T= 6335. E= 0.67681757E+03 F= 0.62441213E+03 E0= 0.65394665E+03 EK= 0.52405E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348100890215E+03 0.13170E+01 -0.22242E-01 9048 0.223E+01 0.388E-01 RMM: 2 -0.348115620441E+03 -0.14730E-01 -0.14108E-01 5438 0.816E-01 0.829E-01 RMM: 3 -0.348110705801E+03 0.49146E-02 -0.10371E-02 5623 0.212E-01 0.335E-01 RMM: 4 -0.348111394841E+03 -0.68904E-03 -0.19510E-03 4854 0.107E-01 0.484E-01 RMM: 5 -0.348109830348E+03 0.15645E-02 -0.81109E-04 4592 0.734E-02 0.115E-01 RMM: 6 -0.348109770515E+03 0.59833E-04 -0.13898E-04 3874 0.292E-02 0.785E-02 RMM: 7 -0.348109788884E+03 -0.18369E-04 -0.67769E-05 3539 0.218E-02 9510 T= 5412. E= 0.67021270E+03 F= 0.62544069E+03 E0= 0.65491406E+03 EK= 0.44772E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346873589800E+03 0.12362E+01 -0.18343E-01 9012 0.210E+01 0.397E-01 RMM: 2 -0.346886813889E+03 -0.13224E-01 -0.12265E-01 5342 0.774E-01 0.847E-01 RMM: 3 -0.346881960356E+03 0.48535E-02 -0.10825E-02 5552 0.220E-01 0.349E-01 RMM: 4 -0.346882828366E+03 -0.86801E-03 -0.20711E-03 4879 0.109E-01 0.525E-01 RMM: 5 -0.346881002505E+03 0.18259E-02 -0.90919E-04 4595 0.781E-02 0.105E-01 RMM: 6 -0.346880972979E+03 0.29526E-04 -0.12546E-04 3856 0.277E-02 0.922E-02 RMM: 7 -0.346880957275E+03 0.15704E-04 -0.73186E-05 3573 0.215E-02 9511 T= 4876. E= 0.66671453E+03 F= 0.62637410E+03 E0= 0.65578579E+03 EK= 0.40340E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345809640243E+03 0.10713E+01 -0.16078E-01 9096 0.205E+01 0.351E-01 RMM: 2 -0.345821397636E+03 -0.11757E-01 -0.10220E-01 5312 0.692E-01 0.826E-01 RMM: 3 -0.345816556969E+03 0.48407E-02 -0.88434E-03 5528 0.196E-01 0.295E-01 RMM: 4 -0.345817269296E+03 -0.71233E-03 -0.17861E-03 4787 0.102E-01 0.450E-01 RMM: 5 -0.345815930149E+03 0.13391E-02 -0.69874E-04 4560 0.683E-02 0.127E-01 RMM: 6 -0.345815844823E+03 0.85326E-04 -0.14472E-04 3872 0.304E-02 0.707E-02 RMM: 7 -0.345815872614E+03 -0.27791E-04 -0.51395E-05 3275 0.191E-02 0.105E-01 RMM: 8 -0.345815799358E+03 0.73256E-04 -0.36139E-05 2975 0.185E-02 0.249E-02 RMM: 9 -0.345815807214E+03 -0.78555E-05 -0.18228E-05 2515 0.122E-02 9512 T= 4788. E= 0.66674446E+03 F= 0.62713746E+03 E0= 0.65648834E+03 EK= 0.39607E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344941042033E+03 0.87476E+00 -0.15072E-01 9108 0.209E+01 0.298E-01 RMM: 2 -0.344951079146E+03 -0.10037E-01 -0.90268E-02 5352 0.633E-01 0.712E-01 RMM: 3 -0.344947251595E+03 0.38276E-02 -0.76686E-03 5467 0.184E-01 0.243E-01 RMM: 4 -0.344947804112E+03 -0.55252E-03 -0.12604E-03 4646 0.852E-02 0.386E-01 RMM: 5 -0.344946835552E+03 0.96856E-03 -0.44674E-04 4195 0.537E-02 0.119E-01 RMM: 6 -0.344946759638E+03 0.75914E-04 -0.13518E-04 3875 0.303E-02 0.674E-02 RMM: 7 -0.344946784799E+03 -0.25161E-04 -0.50676E-05 3289 0.197E-02 0.973E-02 RMM: 8 -0.344946722150E+03 0.62649E-04 -0.30095E-05 2837 0.174E-02 0.235E-02 RMM: 9 -0.344946726317E+03 -0.41669E-05 -0.12588E-05 2477 0.989E-03 9513 T= 5159. E= 0.67038618E+03 F= 0.62771113E+03 E0= 0.65700275E+03 EK= 0.42675E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344256019809E+03 0.69070E+00 -0.16269E-01 8952 0.222E+01 0.264E-01 RMM: 2 -0.344269318728E+03 -0.13299E-01 -0.10203E-01 5378 0.669E-01 0.861E-01 RMM: 3 -0.344263677974E+03 0.56408E-02 -0.84206E-03 5784 0.179E-01 0.206E-01 RMM: 4 -0.344263666487E+03 0.11487E-04 -0.10728E-03 4635 0.783E-02 0.248E-01 RMM: 5 -0.344263299834E+03 0.36665E-03 -0.39255E-04 4169 0.526E-02 0.132E-01 RMM: 6 -0.344263238445E+03 0.61388E-04 -0.14579E-04 3880 0.322E-02 0.988E-02 RMM: 7 -0.344263259867E+03 -0.21422E-04 -0.85170E-05 3685 0.254E-02 0.119E-01 RMM: 8 -0.344263165588E+03 0.94279E-04 -0.44867E-05 3211 0.205E-02 0.282E-02 RMM: 9 -0.344263167687E+03 -0.20986E-05 -0.12466E-05 2490 0.988E-03 9514 T= 5977. E= 0.67756553E+03 F= 0.62811672E+03 E0= 0.65735094E+03 EK= 0.49449E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343696877114E+03 0.56629E+00 -0.19634E-01 9120 0.240E+01 0.237E-01 RMM: 2 -0.343713163374E+03 -0.16286E-01 -0.13009E-01 5407 0.760E-01 0.867E-01 RMM: 3 -0.343707398585E+03 0.57648E-02 -0.10732E-02 5854 0.197E-01 0.216E-01 RMM: 4 -0.343707046487E+03 0.35210E-03 -0.84530E-04 4662 0.655E-02 0.160E-01 RMM: 5 -0.343706872792E+03 0.17369E-03 -0.29752E-04 3964 0.476E-02 0.113E-01 RMM: 6 -0.343706887043E+03 -0.14251E-04 -0.19703E-04 3889 0.377E-02 9515 T= 7111. E= 0.68724642E+03 F= 0.62841764E+03 E0= 0.65759725E+03 EK= 0.58829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343148105579E+03 0.55877E+00 -0.25594E-01 8916 0.258E+01 0.432E-01 RMM: 2 -0.343206556288E+03 -0.58451E-01 -0.19871E-01 5305 0.981E-01 0.249E+00 RMM: 3 -0.343163503133E+03 0.43053E-01 -0.24978E-02 5377 0.372E-01 0.410E-01 RMM: 4 -0.343162443880E+03 0.10593E-02 -0.28864E-03 5208 0.101E-01 0.173E-01 RMM: 5 -0.343162257665E+03 0.18621E-03 -0.44714E-04 4457 0.571E-02 0.168E-01 RMM: 6 -0.343162173802E+03 0.83863E-04 -0.30716E-04 4117 0.470E-02 0.153E-01 RMM: 7 -0.343162289127E+03 -0.11532E-03 -0.31848E-04 3957 0.465E-02 0.206E-01 RMM: 8 -0.343162010743E+03 0.27838E-03 -0.18488E-04 3886 0.386E-02 0.553E-02 RMM: 9 -0.343162016397E+03 -0.56543E-05 -0.44368E-05 3150 0.181E-02 9516 T= 8152. E= 0.69616561E+03 F= 0.62872745E+03 E0= 0.65785725E+03 EK= 0.67438E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342459378706E+03 0.70263E+00 -0.31198E-01 9120 0.269E+01 0.403E-01 RMM: 2 -0.342523253323E+03 -0.63875E-01 -0.22577E-01 5413 0.102E+00 0.254E+00 RMM: 3 -0.342477289336E+03 0.45964E-01 -0.24179E-02 5381 0.357E-01 0.346E-01 RMM: 4 -0.342476480099E+03 0.80924E-03 -0.29029E-03 5068 0.108E-01 0.191E-01 RMM: 5 -0.342476290946E+03 0.18915E-03 -0.44673E-04 4398 0.543E-02 0.149E-01 RMM: 6 -0.342476165895E+03 0.12505E-03 -0.17716E-04 3879 0.354E-02 0.933E-02 RMM: 7 -0.342476194487E+03 -0.28593E-04 -0.14893E-04 3880 0.308E-02 0.128E-01 RMM: 8 -0.342476084160E+03 0.11033E-03 -0.81174E-05 3603 0.264E-02 0.355E-02 RMM: 9 -0.342476088032E+03 -0.38718E-05 -0.20929E-05 2541 0.130E-02 9517 T= 8502. E= 0.69952374E+03 F= 0.62919007E+03 E0= 0.65827497E+03 EK= 0.70334E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341510087949E+03 0.96600E+00 -0.34891E-01 9072 0.266E+01 0.296E-01 RMM: 2 -0.341543693845E+03 -0.33606E-01 -0.23684E-01 5546 0.982E-01 0.133E+00 RMM: 3 -0.341529224504E+03 0.14469E-01 -0.15845E-02 5443 0.266E-01 0.297E-01 RMM: 4 -0.341528679950E+03 0.54455E-03 -0.16517E-03 4901 0.829E-02 0.165E-01 RMM: 5 -0.341528468767E+03 0.21118E-03 -0.40943E-04 4506 0.557E-02 0.131E-01 RMM: 6 -0.341528556878E+03 -0.88111E-04 -0.24815E-04 3896 0.405E-02 0.182E-01 RMM: 7 -0.341528474542E+03 0.82336E-04 -0.17454E-04 3888 0.352E-02 0.152E-01 RMM: 8 -0.341528331190E+03 0.14335E-03 -0.88988E-05 3658 0.263E-02 0.491E-02 RMM: 9 -0.341528332222E+03 -0.10322E-05 -0.26866E-05 2638 0.148E-02 9518 T= 7904. E= 0.69530047E+03 F= 0.62991456E+03 E0= 0.65896076E+03 EK= 0.65386E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340280516545E+03 0.12478E+01 -0.33374E-01 8940 0.252E+01 0.305E-01 RMM: 2 -0.340308422007E+03 -0.27905E-01 -0.21482E-01 5818 0.930E-01 0.110E+00 RMM: 3 -0.340298140420E+03 0.10282E-01 -0.12565E-02 5453 0.245E-01 0.260E-01 RMM: 4 -0.340298000095E+03 0.14033E-03 -0.15304E-03 4884 0.871E-02 0.250E-01 RMM: 5 -0.340297696131E+03 0.30396E-03 -0.44815E-04 4452 0.552E-02 0.163E-01 RMM: 6 -0.340297588955E+03 0.10718E-03 -0.20748E-04 3880 0.379E-02 0.108E-01 RMM: 7 -0.340297676851E+03 -0.87896E-04 -0.13435E-04 3884 0.310E-02 0.154E-01 RMM: 8 -0.340297517125E+03 0.15973E-03 -0.77696E-05 3566 0.259E-02 0.370E-02 RMM: 9 -0.340297516762E+03 0.36252E-06 -0.15635E-05 2534 0.113E-02 9519 T= 6745. E= 0.68670911E+03 F= 0.63091117E+03 E0= 0.65992389E+03 EK= 0.55798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338839814966E+03 0.14577E+01 -0.29782E-01 9000 0.233E+01 0.308E-01 RMM: 2 -0.338860517717E+03 -0.20703E-01 -0.18919E-01 6216 0.877E-01 0.780E-01 RMM: 3 -0.338855282963E+03 0.52348E-02 -0.99397E-03 5457 0.218E-01 0.257E-01 RMM: 4 -0.338855651464E+03 -0.36850E-03 -0.15720E-03 4974 0.946E-02 0.364E-01 RMM: 5 -0.338854804511E+03 0.84695E-03 -0.58542E-04 4578 0.636E-02 0.122E-01 RMM: 6 -0.338854771664E+03 0.32847E-04 -0.15718E-04 3878 0.323E-02 0.105E-01 RMM: 7 -0.338854796747E+03 -0.25083E-04 -0.92405E-05 3731 0.259E-02 0.122E-01 RMM: 8 -0.338854699837E+03 0.96910E-04 -0.49805E-05 3277 0.210E-02 0.327E-02 RMM: 9 -0.338854703665E+03 -0.38273E-05 -0.15355E-05 2516 0.111E-02 9520 T= 5612. E= 0.67852885E+03 F= 0.63210223E+03 E0= 0.66108514E+03 EK= 0.46427E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337281739731E+03 0.15730E+01 -0.26422E-01 9024 0.217E+01 0.354E-01 RMM: 2 -0.337303359263E+03 -0.21620E-01 -0.16781E-01 5744 0.841E-01 0.105E+00 RMM: 3 -0.337294630903E+03 0.87284E-02 -0.11114E-02 5445 0.229E-01 0.257E-01 RMM: 4 -0.337295245621E+03 -0.61472E-03 -0.19568E-03 4980 0.105E-01 0.413E-01 RMM: 5 -0.337294195873E+03 0.10497E-02 -0.61923E-04 4592 0.644E-02 0.160E-01 RMM: 6 -0.337294059452E+03 0.13642E-03 -0.16647E-04 3876 0.333E-02 0.827E-02 RMM: 7 -0.337294120085E+03 -0.60632E-04 -0.11059E-04 3870 0.274E-02 0.127E-01 RMM: 8 -0.337294014637E+03 0.10545E-03 -0.58852E-05 3382 0.224E-02 0.337E-02 RMM: 9 -0.337294014934E+03 -0.29689E-06 -0.16821E-05 2529 0.118E-02 9521 T= 4841. E= 0.67344485E+03 F= 0.63339405E+03 E0= 0.66234995E+03 EK= 0.40051E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335680076013E+03 0.16139E+01 -0.23950E-01 8988 0.209E+01 0.335E-01 RMM: 2 -0.335696880714E+03 -0.16805E-01 -0.14429E-01 5751 0.758E-01 0.855E-01 RMM: 3 -0.335690688029E+03 0.61927E-02 -0.87517E-03 5492 0.195E-01 0.248E-01 RMM: 4 -0.335691312667E+03 -0.62464E-03 -0.16658E-03 4763 0.980E-02 0.414E-01 RMM: 5 -0.335690210924E+03 0.11017E-02 -0.62858E-04 4553 0.649E-02 0.126E-01 RMM: 6 -0.335690144475E+03 0.66449E-04 -0.13553E-04 3879 0.291E-02 0.869E-02 RMM: 7 -0.335690176485E+03 -0.32010E-04 -0.10120E-04 3811 0.258E-02 0.117E-01 RMM: 8 -0.335690089653E+03 0.86832E-04 -0.53974E-05 3314 0.215E-02 0.332E-02 RMM: 9 -0.335690092186E+03 -0.25331E-05 -0.16017E-05 2517 0.114E-02 9522 T= 4526. E= 0.67216332E+03 F= 0.63471984E+03 E0= 0.66365114E+03 EK= 0.37443E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334094199246E+03 0.15959E+01 -0.24243E-01 9012 0.209E+01 0.332E-01 RMM: 2 -0.334110992965E+03 -0.16794E-01 -0.13556E-01 5713 0.734E-01 0.925E-01 RMM: 3 -0.334104122431E+03 0.68705E-02 -0.90310E-03 5468 0.199E-01 0.261E-01 RMM: 4 -0.334104516149E+03 -0.39372E-03 -0.15876E-03 4691 0.941E-02 0.369E-01 RMM: 5 -0.334103650595E+03 0.86555E-03 -0.52153E-04 4211 0.562E-02 0.154E-01 RMM: 6 -0.334103525350E+03 0.12525E-03 -0.15766E-04 3881 0.333E-02 0.815E-02 RMM: 7 -0.334103583010E+03 -0.57661E-04 -0.11117E-04 3856 0.268E-02 0.128E-01 RMM: 8 -0.334103476789E+03 0.10622E-03 -0.68316E-05 3509 0.234E-02 0.378E-02 RMM: 9 -0.334103474584E+03 0.22048E-05 -0.19445E-05 2562 0.128E-02 9523 T= 4684. E= 0.67478350E+03 F= 0.63603179E+03 E0= 0.66494096E+03 EK= 0.38752E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332599643930E+03 0.15038E+01 -0.26035E-01 8964 0.217E+01 0.357E-01 RMM: 2 -0.332625070747E+03 -0.25427E-01 -0.14739E-01 5513 0.808E-01 0.138E+00 RMM: 3 -0.332610668383E+03 0.14402E-01 -0.12840E-02 5454 0.240E-01 0.317E-01 RMM: 4 -0.332610392668E+03 0.27572E-03 -0.19643E-03 4780 0.101E-01 0.270E-01 RMM: 5 -0.332610049534E+03 0.34313E-03 -0.45315E-04 4182 0.523E-02 0.185E-01 RMM: 6 -0.332609843531E+03 0.20600E-03 -0.16177E-04 3879 0.346E-02 0.787E-02 RMM: 7 -0.332609903676E+03 -0.60144E-04 -0.11785E-04 3866 0.279E-02 0.126E-01 RMM: 8 -0.332609810462E+03 0.93214E-04 -0.75881E-05 3593 0.240E-02 0.564E-02 RMM: 9 -0.332609792837E+03 0.17625E-04 -0.20253E-05 2576 0.132E-02 9524 T= 5345. E= 0.68148586E+03 F= 0.63726712E+03 E0= 0.66615778E+03 EK= 0.44219E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331301425095E+03 0.13084E+01 -0.26660E-01 9048 0.234E+01 0.351E-01 RMM: 2 -0.331326322243E+03 -0.24897E-01 -0.15704E-01 5413 0.876E-01 0.131E+00 RMM: 3 -0.331313714319E+03 0.12608E-01 -0.16287E-02 5482 0.270E-01 0.300E-01 RMM: 4 -0.331313215345E+03 0.49897E-03 -0.17099E-03 4778 0.881E-02 0.204E-01 RMM: 5 -0.331313087748E+03 0.12760E-03 -0.35489E-04 3992 0.454E-02 0.182E-01 RMM: 6 -0.331312889831E+03 0.19792E-03 -0.18180E-04 3886 0.382E-02 0.776E-02 RMM: 7 -0.331312980561E+03 -0.90730E-04 -0.11690E-04 3874 0.282E-02 0.142E-01 RMM: 8 -0.331312858357E+03 0.12220E-03 -0.74899E-05 3586 0.246E-02 0.592E-02 RMM: 9 -0.331312838486E+03 0.19871E-04 -0.22206E-05 2611 0.139E-02 9525 T= 6507. E= 0.69215940E+03 F= 0.63833017E+03 E0= 0.66720751E+03 EK= 0.53829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330290459498E+03 0.10224E+01 -0.25702E-01 8916 0.257E+01 0.363E-01 RMM: 2 -0.330326206363E+03 -0.35747E-01 -0.17022E-01 5281 0.962E-01 0.175E+00 RMM: 3 -0.330304548497E+03 0.21658E-01 -0.19342E-02 5484 0.300E-01 0.374E-01 RMM: 4 -0.330303548336E+03 0.10002E-02 -0.21386E-03 4888 0.994E-02 0.160E-01 RMM: 5 -0.330303449196E+03 0.99140E-04 -0.39541E-04 4193 0.502E-02 0.147E-01 RMM: 6 -0.330303334254E+03 0.11494E-03 -0.14774E-04 3875 0.330E-02 0.930E-02 RMM: 7 -0.330303415307E+03 -0.81054E-04 -0.15878E-04 3894 0.339E-02 0.145E-01 RMM: 8 -0.330303279269E+03 0.13604E-03 -0.83048E-05 3644 0.265E-02 0.551E-02 RMM: 9 -0.330303264501E+03 0.14768E-04 -0.17382E-05 2544 0.120E-02 9526 T= 7935. E= 0.70477610E+03 F= 0.63913092E+03 E0= 0.66800278E+03 EK= 0.65645E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329551935883E+03 0.75134E+00 -0.25029E-01 8364 0.277E+01 0.289E-01 RMM: 2 -0.329575268849E+03 -0.23333E-01 -0.14868E-01 5339 0.927E-01 0.128E+00 RMM: 3 -0.329563949870E+03 0.11319E-01 -0.15086E-02 5591 0.259E-01 0.245E-01 RMM: 4 -0.329563446672E+03 0.50320E-03 -0.12373E-03 4753 0.745E-02 0.157E-01 RMM: 5 -0.329563267587E+03 0.17909E-03 -0.23230E-04 3899 0.427E-02 0.111E-01 RMM: 6 -0.329563276988E+03 -0.94016E-05 -0.15514E-04 3876 0.342E-02 9527 T= 8960. E= 0.71380277E+03 F= 0.63968059E+03 E0= 0.66855580E+03 EK= 0.74122E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328925146619E+03 0.63812E+00 -0.27948E-01 8472 0.284E+01 0.497E-01 RMM: 2 -0.328982881029E+03 -0.57734E-01 -0.17947E-01 5266 0.103E+00 0.258E+00 RMM: 3 -0.328938695686E+03 0.44185E-01 -0.28126E-02 5352 0.411E-01 0.538E-01 RMM: 4 -0.328936693357E+03 0.20023E-02 -0.33234E-03 5306 0.120E-01 0.173E-01 RMM: 5 -0.328936546501E+03 0.14686E-03 -0.49354E-04 4067 0.518E-02 0.167E-01 RMM: 6 -0.328936375087E+03 0.17141E-03 -0.28978E-04 4016 0.473E-02 0.120E-01 RMM: 7 -0.328936548715E+03 -0.17363E-03 -0.32762E-04 4193 0.485E-02 0.203E-01 RMM: 8 -0.328936264698E+03 0.28402E-03 -0.15591E-04 3881 0.353E-02 0.563E-02 RMM: 9 -0.328936258647E+03 0.60517E-05 -0.28657E-05 2850 0.151E-02 9528 T= 8848. E= 0.71332189E+03 F= 0.64012438E+03 E0= 0.66901568E+03 EK= 0.73198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328279269891E+03 0.65699E+00 -0.30114E-01 9048 0.273E+01 0.434E-01 RMM: 2 -0.328341696034E+03 -0.62426E-01 -0.17762E-01 5307 0.993E-01 0.265E+00 RMM: 3 -0.328292683861E+03 0.49012E-01 -0.24117E-02 5352 0.373E-01 0.362E-01 RMM: 4 -0.328291861052E+03 0.82281E-03 -0.28913E-03 5335 0.108E-01 0.202E-01 RMM: 5 -0.328291641622E+03 0.21943E-03 -0.41140E-04 4148 0.513E-02 0.150E-01 RMM: 6 -0.328291517721E+03 0.12390E-03 -0.16973E-04 3880 0.356E-02 0.972E-02 RMM: 7 -0.328291597638E+03 -0.79917E-04 -0.17389E-04 3898 0.336E-02 0.151E-01 RMM: 8 -0.328291453376E+03 0.14426E-03 -0.10859E-04 3848 0.294E-02 0.544E-02 RMM: 9 -0.328291447034E+03 0.63423E-05 -0.28138E-05 2650 0.154E-02 9529 T= 7667. E= 0.70400840E+03 F= 0.64058056E+03 E0= 0.66949303E+03 EK= 0.63428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327652961298E+03 0.63849E+00 -0.28189E-01 9036 0.249E+01 0.430E-01 RMM: 2 -0.327688562007E+03 -0.35601E-01 -0.17126E-01 5217 0.936E-01 0.181E+00 RMM: 3 -0.327665945471E+03 0.22617E-01 -0.20029E-02 5368 0.326E-01 0.429E-01 RMM: 4 -0.327665026027E+03 0.91944E-03 -0.27272E-03 5275 0.114E-01 0.240E-01 RMM: 5 -0.327664874055E+03 0.15197E-03 -0.51763E-04 4384 0.527E-02 0.230E-01 RMM: 6 -0.327664543439E+03 0.33062E-03 -0.25056E-04 3895 0.421E-02 0.841E-02 RMM: 7 -0.327664667120E+03 -0.12368E-03 -0.16966E-04 3895 0.338E-02 0.159E-01 RMM: 8 -0.327664514424E+03 0.15270E-03 -0.90714E-05 3714 0.266E-02 0.656E-02 RMM: 9 -0.327664487899E+03 0.26526E-04 -0.25317E-05 2705 0.147E-02 0.269E-02 RMM: 10 -0.327664497201E+03 -0.93017E-05 -0.13183E-05 2494 0.108E-02 9530 T= 6201. E= 0.69230376E+03 F= 0.64100339E+03 E0= 0.66994096E+03 EK= 0.51300E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327191245854E+03 0.47324E+00 -0.23867E-01 9096 0.224E+01 0.360E-01 RMM: 2 -0.327211340967E+03 -0.20095E-01 -0.14458E-01 5418 0.837E-01 0.114E+00 RMM: 3 -0.327202066091E+03 0.92749E-02 -0.12024E-02 5436 0.239E-01 0.312E-01 RMM: 4 -0.327202293526E+03 -0.22743E-03 -0.20206E-03 4900 0.106E-01 0.368E-01 RMM: 5 -0.327201360743E+03 0.93278E-03 -0.55401E-04 4411 0.586E-02 0.126E-01 RMM: 6 -0.327201283984E+03 0.76759E-04 -0.13093E-04 3873 0.302E-02 0.791E-02 RMM: 7 -0.327201332892E+03 -0.48908E-04 -0.11221E-04 3881 0.268E-02 0.123E-01 RMM: 8 -0.327201235724E+03 0.97168E-04 -0.69269E-05 3498 0.232E-02 0.404E-02 RMM: 9 -0.327201230915E+03 0.48084E-05 -0.19042E-05 2552 0.126E-02 9531 T= 5078. E= 0.68325326E+03 F= 0.64124270E+03 E0= 0.67020668E+03 EK= 0.42011E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327023074114E+03 0.17816E+00 -0.20831E-01 9096 0.206E+01 0.346E-01 RMM: 2 -0.327036891254E+03 -0.13817E-01 -0.12213E-01 5438 0.760E-01 0.841E-01 RMM: 3 -0.327031894235E+03 0.49970E-02 -0.10043E-02 5601 0.206E-01 0.269E-01 RMM: 4 -0.327032430920E+03 -0.53668E-03 -0.15150E-03 4670 0.916E-02 0.417E-01 RMM: 5 -0.327031298755E+03 0.11322E-02 -0.54425E-04 4533 0.594E-02 0.134E-01 RMM: 6 -0.327031199243E+03 0.99511E-04 -0.14750E-04 3888 0.311E-02 0.729E-02 RMM: 7 -0.327031247663E+03 -0.48420E-04 -0.10395E-04 3826 0.266E-02 0.119E-01 RMM: 8 -0.327031156922E+03 0.90741E-04 -0.59601E-05 3350 0.214E-02 0.383E-02 RMM: 9 -0.327031156073E+03 0.84904E-06 -0.19427E-05 2548 0.127E-02 9532 T= 4496. E= 0.67836979E+03 F= 0.64117214E+03 E0= 0.67016563E+03 EK= 0.37198E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327216062464E+03 -0.18491E+00 -0.20131E-01 9120 0.199E+01 0.304E-01 RMM: 2 -0.327229887533E+03 -0.13825E-01 -0.11378E-01 5376 0.701E-01 0.850E-01 RMM: 3 -0.327224392843E+03 0.54947E-02 -0.90378E-03 5558 0.191E-01 0.218E-01 RMM: 4 -0.327224841305E+03 -0.44846E-03 -0.14243E-03 4685 0.902E-02 0.364E-01 RMM: 5 -0.327223967419E+03 0.87389E-03 -0.49412E-04 4190 0.561E-02 0.110E-01 RMM: 6 -0.327223918968E+03 0.48451E-04 -0.10909E-04 3772 0.274E-02 0.759E-02 RMM: 7 -0.327223946616E+03 -0.27648E-04 -0.78103E-05 3650 0.227E-02 0.106E-01 RMM: 8 -0.327223871701E+03 0.74915E-04 -0.43434E-05 3130 0.198E-02 0.252E-02 RMM: 9 -0.327223876521E+03 -0.48204E-05 -0.13314E-05 2498 0.103E-02 9533 T= 4458. E= 0.67760765E+03 F= 0.64073180E+03 E0= 0.66975954E+03 EK= 0.36876E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327783070868E+03 -0.55920E+00 -0.21484E-01 9120 0.204E+01 0.270E-01 RMM: 2 -0.327798960616E+03 -0.15890E-01 -0.11744E-01 5539 0.681E-01 0.932E-01 RMM: 3 -0.327792033022E+03 0.69276E-02 -0.83584E-03 5488 0.187E-01 0.209E-01 RMM: 4 -0.327792096150E+03 -0.63129E-04 -0.11857E-03 4643 0.796E-02 0.263E-01 RMM: 5 -0.327791718172E+03 0.37798E-03 -0.34898E-04 3947 0.476E-02 0.147E-01 RMM: 6 -0.327791600392E+03 0.11778E-03 -0.14282E-04 3880 0.328E-02 0.744E-02 RMM: 7 -0.327791663696E+03 -0.63304E-04 -0.10099E-04 3767 0.266E-02 0.126E-01 RMM: 8 -0.327791559951E+03 0.10375E-03 -0.48804E-05 3257 0.214E-02 0.313E-02 RMM: 9 -0.327791557219E+03 0.27321E-05 -0.11979E-05 2491 0.978E-03 9534 T= 4952. E= 0.68089160E+03 F= 0.63992209E+03 E0= 0.66899007E+03 EK= 0.40970E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328669452750E+03 -0.87789E+00 -0.26656E-01 9072 0.219E+01 0.249E-01 RMM: 2 -0.328691967538E+03 -0.22515E-01 -0.16093E-01 5401 0.806E-01 0.110E+00 RMM: 3 -0.328682469015E+03 0.94985E-02 -0.12269E-02 5727 0.213E-01 0.208E-01 RMM: 4 -0.328682146123E+03 0.32289E-03 -0.10263E-03 4671 0.716E-02 0.163E-01 RMM: 5 -0.328681968070E+03 0.17805E-03 -0.26314E-04 3893 0.426E-02 0.110E-01 RMM: 6 -0.328681967009E+03 0.10611E-05 -0.15408E-04 3884 0.337E-02 9535 T= 5972. E= 0.68821419E+03 F= 0.63880561E+03 E0= 0.66792072E+03 EK= 0.49409E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329728168524E+03 -0.10462E+01 -0.35417E-01 8988 0.241E+01 0.437E-01 RMM: 2 -0.329786131943E+03 -0.57963E-01 -0.23412E-01 5457 0.999E-01 0.238E+00 RMM: 3 -0.329746587535E+03 0.39544E-01 -0.25420E-02 5352 0.368E-01 0.434E-01 RMM: 4 -0.329745367077E+03 0.12205E-02 -0.29982E-03 5043 0.104E-01 0.172E-01 RMM: 5 -0.329745182396E+03 0.18468E-03 -0.34781E-04 3955 0.471E-02 0.147E-01 RMM: 6 -0.329745093091E+03 0.89306E-04 -0.18906E-04 3887 0.379E-02 0.129E-01 RMM: 7 -0.329745269017E+03 -0.17593E-03 -0.30111E-04 4060 0.465E-02 0.212E-01 RMM: 8 -0.329744979058E+03 0.28996E-03 -0.17272E-04 3895 0.351E-02 0.785E-02 RMM: 9 -0.329744952525E+03 0.26533E-04 -0.43045E-05 3141 0.181E-02 0.515E-02 RMM: 10 -0.329744949745E+03 0.27797E-05 -0.39839E-05 2629 0.180E-02 9536 T= 7356. E= 0.69838744E+03 F= 0.63753677E+03 E0= 0.66670380E+03 EK= 0.60851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330701242494E+03 -0.95629E+00 -0.50507E-01 8964 0.263E+01 0.468E-01 RMM: 2 -0.330770258373E+03 -0.69016E-01 -0.33670E-01 5315 0.126E+00 0.242E+00 RMM: 3 -0.330729376856E+03 0.40882E-01 -0.33453E-02 5430 0.401E-01 0.494E-01 RMM: 4 -0.330727583920E+03 0.17929E-02 -0.42655E-03 5361 0.141E-01 0.215E-01 RMM: 5 -0.330727308191E+03 0.27573E-03 -0.68799E-04 4530 0.655E-02 0.161E-01 RMM: 6 -0.330727162027E+03 0.14616E-03 -0.18131E-04 3882 0.342E-02 0.952E-02 RMM: 7 -0.330727213108E+03 -0.51081E-04 -0.16462E-04 3880 0.329E-02 0.150E-01 RMM: 8 -0.330727064272E+03 0.14884E-03 -0.10108E-04 3861 0.291E-02 0.439E-02 RMM: 9 -0.330727061937E+03 0.23357E-05 -0.25089E-05 2581 0.144E-02 9537 T= 8559. E= 0.70717276E+03 F= 0.63636605E+03 E0= 0.66558103E+03 EK= 0.70807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331323130881E+03 -0.59607E+00 -0.63279E-01 8928 0.275E+01 0.261E-01 RMM: 2 -0.331364223950E+03 -0.41093E-01 -0.34921E-01 5522 0.120E+00 0.113E+00 RMM: 3 -0.331352797197E+03 0.11427E-01 -0.25350E-02 5967 0.283E-01 0.249E-01 RMM: 4 -0.331352054479E+03 0.74272E-03 -0.13393E-03 4940 0.762E-02 0.179E-01 RMM: 5 -0.331351851025E+03 0.20345E-03 -0.23779E-04 3914 0.407E-02 0.139E-01 RMM: 6 -0.331351961535E+03 -0.11051E-03 -0.25426E-04 3929 0.419E-02 0.210E-01 RMM: 7 -0.331351696330E+03 0.26520E-03 -0.28171E-04 3953 0.464E-02 0.115E-01 RMM: 8 -0.331351621517E+03 0.74813E-04 -0.87891E-05 3719 0.244E-02 0.595E-02 RMM: 9 -0.331351619105E+03 0.24124E-05 -0.62009E-05 3492 0.217E-02 9538 T= 8822. E= 0.70854310E+03 F= 0.63556136E+03 E0= 0.66481356E+03 EK= 0.72982E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331461657349E+03 -0.11004E+00 -0.65640E-01 8892 0.269E+01 0.275E-01 RMM: 2 -0.331500022277E+03 -0.38365E-01 -0.32619E-01 5484 0.113E+00 0.108E+00 RMM: 3 -0.331488869052E+03 0.11153E-01 -0.22309E-02 5996 0.277E-01 0.222E-01 RMM: 4 -0.331488369265E+03 0.49979E-03 -0.13850E-03 4863 0.818E-02 0.209E-01 RMM: 5 -0.331488095667E+03 0.27360E-03 -0.35144E-04 4223 0.503E-02 0.112E-01 RMM: 6 -0.331488161508E+03 -0.65841E-04 -0.21001E-04 3885 0.377E-02 0.155E-01 RMM: 7 -0.331488079376E+03 0.82131E-04 -0.13452E-04 3880 0.316E-02 0.116E-01 RMM: 8 -0.331487995671E+03 0.83705E-04 -0.50293E-05 3272 0.203E-02 0.390E-02 RMM: 9 -0.331488006910E+03 -0.11239E-04 -0.26415E-05 2591 0.147E-02 9539 T= 7946. E= 0.70097613E+03 F= 0.63524201E+03 E0= 0.66451309E+03 EK= 0.65734E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331204008525E+03 0.28399E+00 -0.58943E-01 8700 0.250E+01 0.286E-01 RMM: 2 -0.331233312275E+03 -0.29304E-01 -0.26463E-01 6043 0.102E+00 0.844E-01 RMM: 3 -0.331226274948E+03 0.70373E-02 -0.14115E-02 5577 0.248E-01 0.215E-01 RMM: 4 -0.331226533397E+03 -0.25845E-03 -0.16124E-03 5074 0.930E-02 0.322E-01 RMM: 5 -0.331225908339E+03 0.62506E-03 -0.45511E-04 4400 0.551E-02 0.129E-01 RMM: 6 -0.331225837205E+03 0.71133E-04 -0.13554E-04 3875 0.304E-02 0.824E-02 RMM: 7 -0.331225887066E+03 -0.49861E-04 -0.83269E-05 3636 0.241E-02 0.119E-01 RMM: 8 -0.331225797126E+03 0.89941E-04 -0.46241E-05 3226 0.208E-02 0.298E-02 RMM: 9 -0.331225798798E+03 -0.16719E-05 -0.12120E-05 2492 0.987E-03 9540 T= 6552. E= 0.68951181E+03 F= 0.63530820E+03 E0= 0.66457885E+03 EK= 0.54204E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330760363760E+03 0.46543E+00 -0.46807E-01 8760 0.227E+01 0.349E-01 RMM: 2 -0.330787732184E+03 -0.27368E-01 -0.22936E-01 5600 0.978E-01 0.104E+00 RMM: 3 -0.330778465910E+03 0.92663E-02 -0.14388E-02 5584 0.248E-01 0.226E-01 RMM: 4 -0.330779241463E+03 -0.77555E-03 -0.19507E-03 5011 0.103E-01 0.440E-01 RMM: 5 -0.330778043629E+03 0.11978E-02 -0.63569E-04 4562 0.655E-02 0.127E-01 RMM: 6 -0.330777949663E+03 0.93965E-04 -0.13054E-04 3861 0.284E-02 0.639E-02 RMM: 7 -0.330777997145E+03 -0.47482E-04 -0.70970E-05 3529 0.225E-02 0.108E-01 RMM: 8 -0.330777923201E+03 0.73944E-04 -0.45126E-05 3174 0.200E-02 0.311E-02 RMM: 9 -0.330777926364E+03 -0.31632E-05 -0.15600E-05 2520 0.113E-02 9541 T= 5338. E= 0.67970197E+03 F= 0.63554130E+03 E0= 0.66479713E+03 EK= 0.44161E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330333356837E+03 0.44457E+00 -0.32296E-01 8940 0.209E+01 0.352E-01 RMM: 2 -0.330353136958E+03 -0.19780E-01 -0.17234E-01 5553 0.857E-01 0.917E-01 RMM: 3 -0.330346305628E+03 0.68313E-02 -0.11630E-02 5523 0.221E-01 0.273E-01 RMM: 4 -0.330346934380E+03 -0.62875E-03 -0.19284E-03 4808 0.103E-01 0.431E-01 RMM: 5 -0.330345730675E+03 0.12037E-02 -0.66983E-04 4543 0.662E-02 0.116E-01 RMM: 6 -0.330345656870E+03 0.73804E-04 -0.98683E-05 3724 0.247E-02 0.602E-02 RMM: 7 -0.330345680495E+03 -0.23625E-04 -0.66991E-05 3467 0.214E-02 0.933E-02 RMM: 8 -0.330345626318E+03 0.54177E-04 -0.44426E-05 3140 0.202E-02 0.327E-02 RMM: 9 -0.330345632456E+03 -0.61386E-05 -0.17823E-05 2530 0.122E-02 9542 T= 4605. E= 0.67383999E+03 F= 0.63574125E+03 E0= 0.66497223E+03 EK= 0.38099E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330053459194E+03 0.29217E+00 -0.22473E-01 9060 0.201E+01 0.322E-01 RMM: 2 -0.330068746226E+03 -0.15287E-01 -0.12654E-01 5321 0.751E-01 0.888E-01 RMM: 3 -0.330062811473E+03 0.59348E-02 -0.10092E-02 5632 0.202E-01 0.232E-01 RMM: 4 -0.330063439744E+03 -0.62827E-03 -0.16301E-03 4740 0.954E-02 0.412E-01 RMM: 5 -0.330062376824E+03 0.10629E-02 -0.56910E-04 4447 0.606E-02 0.117E-01 RMM: 6 -0.330062295398E+03 0.81427E-04 -0.97858E-05 3707 0.254E-02 0.574E-02 RMM: 7 -0.330062325772E+03 -0.30374E-04 -0.55256E-05 3334 0.203E-02 0.934E-02 RMM: 8 -0.330062268402E+03 0.57369E-04 -0.36197E-05 2990 0.185E-02 0.310E-02 RMM: 9 -0.330062268681E+03 -0.27864E-06 -0.14571E-05 2496 0.109E-02 9543 T= 4396. E= 0.67214771E+03 F= 0.63578277E+03 E0= 0.66498262E+03 EK= 0.36365E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329986588368E+03 0.75680E-01 -0.17839E-01 9096 0.203E+01 0.248E-01 RMM: 2 -0.329997122700E+03 -0.10534E-01 -0.91848E-02 5335 0.634E-01 0.666E-01 RMM: 3 -0.329993439841E+03 0.36829E-02 -0.69769E-03 5558 0.168E-01 0.171E-01 RMM: 4 -0.329993788513E+03 -0.34867E-03 -0.10275E-03 4641 0.773E-02 0.309E-01 RMM: 5 -0.329993175295E+03 0.61322E-03 -0.37871E-04 4055 0.501E-02 0.833E-02 RMM: 6 -0.329993152825E+03 0.22470E-04 -0.68225E-05 3477 0.227E-02 0.659E-02 RMM: 7 -0.329993157151E+03 -0.43269E-05 -0.40949E-05 3070 0.184E-02 9544 T= 4704. E= 0.67452680E+03 F= 0.63561271E+03 E0= 0.66477583E+03 EK= 0.38914E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330129958065E+03 -0.13681E+00 -0.16680E-01 9000 0.217E+01 0.207E-01 RMM: 2 -0.330139232764E+03 -0.92747E-02 -0.74873E-02 5300 0.596E-01 0.689E-01 RMM: 3 -0.330135749514E+03 0.34833E-02 -0.63387E-03 5843 0.153E-01 0.169E-01 RMM: 4 -0.330135660452E+03 0.89061E-04 -0.65612E-04 4618 0.621E-02 0.187E-01 RMM: 5 -0.330135447074E+03 0.21338E-03 -0.32477E-04 4162 0.502E-02 0.894E-02 RMM: 6 -0.330135484250E+03 -0.37175E-04 -0.11690E-04 3860 0.290E-02 0.119E-01 RMM: 7 -0.330135414490E+03 0.69759E-04 -0.64237E-05 3542 0.245E-02 0.718E-02 RMM: 8 -0.330135382406E+03 0.32084E-04 -0.22615E-05 2807 0.148E-02 0.276E-02 RMM: 9 -0.330135385721E+03 -0.33155E-05 -0.10906E-05 2480 0.945E-03 9545 T= 5541. E= 0.68108400E+03 F= 0.63524547E+03 E0= 0.66436564E+03 EK= 0.45839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330395216926E+03 -0.25983E+00 -0.18613E-01 8760 0.239E+01 0.164E-01 RMM: 2 -0.330404897784E+03 -0.96809E-02 -0.82474E-02 5300 0.672E-01 0.645E-01 RMM: 3 -0.330402046606E+03 0.28512E-02 -0.75251E-03 5876 0.159E-01 0.152E-01 RMM: 4 -0.330401779814E+03 0.26679E-03 -0.41224E-04 4140 0.480E-02 0.110E-01 RMM: 5 -0.330401688042E+03 0.91773E-04 -0.13654E-04 3857 0.340E-02 0.829E-02 RMM: 6 -0.330401748104E+03 -0.60063E-04 -0.14178E-04 3871 0.321E-02 0.136E-01 RMM: 7 -0.330401637920E+03 0.11018E-03 -0.90310E-05 3796 0.280E-02 0.683E-02 RMM: 8 -0.330401607357E+03 0.30563E-04 -0.18963E-05 2540 0.136E-02 0.224E-02 RMM: 9 -0.330401606507E+03 0.84958E-06 -0.10114E-05 2448 0.942E-03 9546 T= 6839. E= 0.69135563E+03 F= 0.63477485E+03 E0= 0.66384437E+03 EK= 0.56581E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330602722404E+03 -0.20112E+00 -0.21895E-01 8784 0.264E+01 0.180E-01 RMM: 2 -0.330615075400E+03 -0.12353E-01 -0.10826E-01 5344 0.817E-01 0.726E-01 RMM: 3 -0.330611844782E+03 0.32306E-02 -0.88310E-03 5653 0.178E-01 0.204E-01 RMM: 4 -0.330611489330E+03 0.35545E-03 -0.52744E-04 4316 0.582E-02 0.148E-01 RMM: 5 -0.330611384143E+03 0.10519E-03 -0.10442E-04 3804 0.285E-02 0.125E-01 RMM: 6 -0.330611406576E+03 -0.22433E-04 -0.18681E-04 3901 0.377E-02 0.167E-01 RMM: 7 -0.330611205115E+03 0.20146E-03 -0.19325E-04 3878 0.399E-02 0.756E-02 RMM: 8 -0.330611170065E+03 0.35049E-04 -0.32839E-05 2671 0.175E-02 0.383E-02 RMM: 9 -0.330611166670E+03 0.33951E-05 -0.28952E-05 2509 0.157E-02 9547 T= 8219. E= 0.70237813E+03 F= 0.63438089E+03 E0= 0.66339112E+03 EK= 0.67997E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330537568765E+03 0.73601E-01 -0.25050E-01 8652 0.281E+01 0.210E-01 RMM: 2 -0.330552534121E+03 -0.14965E-01 -0.12522E-01 5349 0.897E-01 0.859E-01 RMM: 3 -0.330548045143E+03 0.44890E-02 -0.10331E-02 5637 0.199E-01 0.222E-01 RMM: 4 -0.330547624761E+03 0.42038E-03 -0.67332E-04 4651 0.640E-02 0.162E-01 RMM: 5 -0.330547475067E+03 0.14969E-03 -0.14515E-04 3853 0.331E-02 0.125E-01 RMM: 6 -0.330547483042E+03 -0.79756E-05 -0.18867E-04 3900 0.372E-02 9548 T= 8923. E= 0.70808755E+03 F= 0.63427330E+03 E0= 0.66321403E+03 EK= 0.73814E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330094535028E+03 0.45294E+00 -0.25452E-01 8004 0.281E+01 0.292E-01 RMM: 2 -0.330115190740E+03 -0.20656E-01 -0.10077E-01 5280 0.759E-01 0.138E+00 RMM: 3 -0.330102128610E+03 0.13062E-01 -0.10366E-02 5365 0.228E-01 0.243E-01 RMM: 4 -0.330101837942E+03 0.29067E-03 -0.11453E-03 4652 0.736E-02 0.168E-01 RMM: 5 -0.330101721959E+03 0.11598E-03 -0.47679E-04 4558 0.611E-02 0.157E-01 RMM: 6 -0.330101642319E+03 0.79640E-04 -0.23534E-04 3878 0.401E-02 0.120E-01 RMM: 7 -0.330101660990E+03 -0.18671E-04 -0.13894E-04 3875 0.344E-02 9549 T= 8431. E= 0.70429753E+03 F= 0.63455049E+03 E0= 0.66342643E+03 EK= 0.69747E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329365012366E+03 0.73663E+00 -0.23135E-01 7332 0.264E+01 0.259E-01 RMM: 2 -0.329382053693E+03 -0.17041E-01 -0.91230E-02 5147 0.763E-01 0.124E+00 RMM: 3 -0.329372092140E+03 0.99616E-02 -0.10296E-02 5421 0.229E-01 0.286E-01 RMM: 4 -0.329371543072E+03 0.54907E-03 -0.10216E-03 4649 0.707E-02 0.124E-01 RMM: 5 -0.329371423855E+03 0.11922E-03 -0.26724E-04 4165 0.478E-02 0.104E-01 RMM: 6 -0.329371431588E+03 -0.77332E-05 -0.13852E-04 3869 0.316E-02 9550 T= 7118. E= 0.69398736E+03 F= 0.63510437E+03 E0= 0.66391820E+03 EK= 0.58883E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328575634513E+03 0.79579E+00 -0.19447E-01 7356 0.239E+01 0.504E-01 RMM: 2 -0.328610525691E+03 -0.34891E-01 -0.11181E-01 5210 0.873E-01 0.205E+00 RMM: 3 -0.328581686521E+03 0.28839E-01 -0.19292E-02 5334 0.353E-01 0.430E-01 RMM: 4 -0.328581060288E+03 0.62623E-03 -0.32429E-03 5329 0.130E-01 0.338E-01 RMM: 5 -0.328580618882E+03 0.44141E-03 -0.70442E-04 4581 0.686E-02 0.249E-01 RMM: 6 -0.328580220334E+03 0.39855E-03 -0.23151E-04 3899 0.411E-02 0.705E-02 RMM: 7 -0.328580215907E+03 0.44274E-05 -0.54849E-05 3314 0.208E-02 9551 T= 5766. E= 0.68340366E+03 F= 0.63570431E+03 E0= 0.66446816E+03 EK= 0.47699E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327927699489E+03 0.65252E+00 -0.15515E-01 7644 0.217E+01 0.389E-01 RMM: 2 -0.327948465393E+03 -0.20766E-01 -0.73442E-02 5269 0.670E-01 0.153E+00 RMM: 3 -0.327932219060E+03 0.16246E-01 -0.12217E-02 5332 0.272E-01 0.366E-01 RMM: 4 -0.327931825620E+03 0.39344E-03 -0.20639E-03 4877 0.104E-01 0.292E-01 RMM: 5 -0.327931561992E+03 0.26363E-03 -0.52653E-04 4564 0.606E-02 0.232E-01 RMM: 6 -0.327931197868E+03 0.36412E-03 -0.20638E-04 3914 0.386E-02 0.501E-02 RMM: 7 -0.327931209621E+03 -0.11754E-04 -0.38304E-05 3052 0.179E-02 9552 T= 4839. E= 0.67617340E+03 F= 0.63614590E+03 E0= 0.66487106E+03 EK= 0.40027E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327538201521E+03 0.39300E+00 -0.13557E-01 7788 0.203E+01 0.391E-01 RMM: 2 -0.327557614167E+03 -0.19413E-01 -0.69589E-02 5239 0.663E-01 0.153E+00 RMM: 3 -0.327541724385E+03 0.15890E-01 -0.10500E-02 5340 0.252E-01 0.269E-01 RMM: 4 -0.327542186493E+03 -0.46211E-03 -0.19472E-03 4781 0.101E-01 0.390E-01 RMM: 5 -0.327541348272E+03 0.83822E-03 -0.55086E-04 4521 0.608E-02 0.187E-01 RMM: 6 -0.327541112476E+03 0.23580E-03 -0.18114E-04 3898 0.357E-02 0.468E-02 RMM: 7 -0.327541133044E+03 -0.20568E-04 -0.41879E-05 3109 0.183E-02 0.821E-02 RMM: 8 -0.327541092223E+03 0.40821E-04 -0.29216E-05 2631 0.170E-02 0.381E-02 RMM: 9 -0.327541085879E+03 0.63434E-05 -0.13693E-05 2491 0.108E-02 9553 T= 4443. E= 0.67307558E+03 F= 0.63631782E+03 E0= 0.66501380E+03 EK= 0.36758E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327444587492E+03 0.96505E-01 -0.12227E-01 8316 0.201E+01 0.252E-01 RMM: 2 -0.327450716333E+03 -0.61288E-02 -0.40005E-02 5231 0.472E-01 0.751E-01 RMM: 3 -0.327446980631E+03 0.37357E-02 -0.46358E-03 5364 0.153E-01 0.186E-01 RMM: 4 -0.327447389142E+03 -0.40851E-03 -0.90457E-04 4596 0.697E-02 0.319E-01 RMM: 5 -0.327446749042E+03 0.64010E-03 -0.33878E-04 4009 0.485E-02 0.997E-02 RMM: 6 -0.327446691529E+03 0.57513E-04 -0.70414E-05 3460 0.235E-02 0.461E-02 RMM: 7 -0.327446704636E+03 -0.13107E-04 -0.28755E-05 2731 0.160E-02 9554 T= 4572. E= 0.67401932E+03 F= 0.63619332E+03 E0= 0.66486933E+03 EK= 0.37826E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327614665689E+03 -0.16797E+00 -0.12985E-01 8676 0.209E+01 0.230E-01 RMM: 2 -0.327622350466E+03 -0.76848E-02 -0.44442E-02 5236 0.503E-01 0.845E-01 RMM: 3 -0.327617601780E+03 0.47487E-02 -0.50489E-03 5425 0.156E-01 0.160E-01 RMM: 4 -0.327617649281E+03 -0.47501E-04 -0.67433E-04 4593 0.582E-02 0.202E-01 RMM: 5 -0.327617450566E+03 0.19872E-03 -0.25854E-04 3908 0.439E-02 0.134E-01 RMM: 6 -0.327617356045E+03 0.94521E-04 -0.12332E-04 3782 0.308E-02 0.648E-02 RMM: 7 -0.327617360537E+03 -0.44926E-05 -0.43172E-05 3162 0.200E-02 9555 T= 5226. E= 0.67905112E+03 F= 0.63581404E+03 E0= 0.66447860E+03 EK= 0.43237E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327937293034E+03 -0.31994E+00 -0.15472E-01 8712 0.227E+01 0.185E-01 RMM: 2 -0.327946228669E+03 -0.89356E-02 -0.64741E-02 5264 0.618E-01 0.762E-01 RMM: 3 -0.327942483699E+03 0.37450E-02 -0.62975E-03 5736 0.153E-01 0.167E-01 RMM: 4 -0.327942259418E+03 0.22428E-03 -0.45677E-04 4261 0.496E-02 0.117E-01 RMM: 5 -0.327942148787E+03 0.11063E-03 -0.18754E-04 3874 0.397E-02 0.803E-02 RMM: 6 -0.327942233204E+03 -0.84418E-04 -0.15370E-04 3888 0.332E-02 0.143E-01 RMM: 7 -0.327942119865E+03 0.11334E-03 -0.72484E-05 3532 0.254E-02 0.729E-02 RMM: 8 -0.327942084624E+03 0.35242E-04 -0.20473E-05 2570 0.138E-02 0.270E-02 RMM: 9 -0.327942084093E+03 0.53071E-06 -0.14023E-05 2470 0.108E-02 9556 T= 6374. E= 0.68802847E+03 F= 0.63529839E+03 E0= 0.66395957E+03 EK= 0.52730E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328197697151E+03 -0.25561E+00 -0.19540E-01 8472 0.251E+01 0.198E-01 RMM: 2 -0.328212205318E+03 -0.14508E-01 -0.11388E-01 5167 0.833E-01 0.862E-01 RMM: 3 -0.328207489888E+03 0.47154E-02 -0.11735E-02 5812 0.201E-01 0.190E-01 RMM: 4 -0.328207101717E+03 0.38817E-03 -0.70901E-04 4593 0.635E-02 0.139E-01 RMM: 5 -0.328206963395E+03 0.13832E-03 -0.16276E-04 3861 0.357E-02 0.865E-02 RMM: 6 -0.328206970468E+03 -0.70727E-05 -0.96914E-05 3739 0.267E-02 9557 T= 7757. E= 0.69903403E+03 F= 0.63486173E+03 E0= 0.66352377E+03 EK= 0.64172E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328122922721E+03 0.84041E-01 -0.22655E-01 8448 0.270E+01 0.288E-01 RMM: 2 -0.328148780784E+03 -0.25858E-01 -0.12726E-01 5245 0.859E-01 0.152E+00 RMM: 3 -0.328133233737E+03 0.15547E-01 -0.13729E-02 5446 0.258E-01 0.273E-01 RMM: 4 -0.328132716742E+03 0.51700E-03 -0.12353E-03 4767 0.703E-02 0.135E-01 RMM: 5 -0.328132576215E+03 0.14053E-03 -0.23701E-04 3928 0.446E-02 0.111E-01 RMM: 6 -0.328132609363E+03 -0.33148E-04 -0.19623E-04 3905 0.381E-02 0.153E-01 RMM: 7 -0.328132589339E+03 0.20025E-04 -0.17145E-04 3894 0.366E-02 0.153E-01 RMM: 8 -0.328132430447E+03 0.15889E-03 -0.89374E-05 3687 0.269E-02 0.471E-02 RMM: 9 -0.328132424834E+03 0.56130E-05 -0.28168E-05 2660 0.156E-02 9558 T= 8725. E= 0.70695518E+03 F= 0.63477905E+03 E0= 0.66345171E+03 EK= 0.72176E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327515417472E+03 0.61701E+00 -0.23443E-01 8244 0.276E+01 0.276E-01 RMM: 2 -0.327539068230E+03 -0.23651E-01 -0.12068E-01 5261 0.865E-01 0.143E+00 RMM: 3 -0.327525059812E+03 0.14008E-01 -0.13087E-02 5457 0.248E-01 0.268E-01 RMM: 4 -0.327524583334E+03 0.47648E-03 -0.14619E-03 4718 0.863E-02 0.167E-01 RMM: 5 -0.327524404034E+03 0.17930E-03 -0.29977E-04 3982 0.467E-02 0.106E-01 RMM: 6 -0.327524357257E+03 0.46776E-04 -0.87540E-05 3733 0.254E-02 0.846E-02 RMM: 7 -0.327524331205E+03 0.26052E-04 -0.10685E-04 3873 0.299E-02 0.856E-02 RMM: 8 -0.327524281262E+03 0.49943E-04 -0.32686E-05 2880 0.180E-02 0.293E-02 RMM: 9 -0.327524279747E+03 0.15150E-05 -0.13896E-05 2470 0.107E-02 9559 T= 8610. E= 0.70646724E+03 F= 0.63523617E+03 E0= 0.66391899E+03 EK= 0.71231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326424102068E+03 0.11002E+01 -0.22748E-01 7632 0.263E+01 0.264E-01 RMM: 2 -0.326439338597E+03 -0.15237E-01 -0.11139E-01 5000 0.774E-01 0.952E-01 RMM: 3 -0.326432770221E+03 0.65684E-02 -0.11641E-02 5599 0.219E-01 0.174E-01 RMM: 4 -0.326433011275E+03 -0.24105E-03 -0.11658E-03 4813 0.807E-02 0.290E-01 RMM: 5 -0.326432471218E+03 0.54006E-03 -0.31931E-04 4017 0.462E-02 0.103E-01 RMM: 6 -0.326432425160E+03 0.46057E-04 -0.94529E-05 3641 0.263E-02 0.710E-02 RMM: 7 -0.326432453454E+03 -0.28293E-04 -0.70552E-05 3638 0.228E-02 0.102E-01 RMM: 8 -0.326432381933E+03 0.71521E-04 -0.36481E-05 3047 0.186E-02 0.219E-02 RMM: 9 -0.326432384752E+03 -0.28194E-05 -0.11500E-05 2479 0.943E-03 9560 T= 7500. E= 0.69821828E+03 F= 0.63617394E+03 E0= 0.66486725E+03 EK= 0.62044E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325116284605E+03 0.13161E+01 -0.19466E-01 7608 0.241E+01 0.328E-01 RMM: 2 -0.325133804338E+03 -0.17520E-01 -0.12126E-01 5214 0.851E-01 0.113E+00 RMM: 3 -0.325125308399E+03 0.84959E-02 -0.12330E-02 5622 0.227E-01 0.224E-01 RMM: 4 -0.325125628246E+03 -0.31985E-03 -0.16996E-03 4825 0.997E-02 0.351E-01 RMM: 5 -0.325124839748E+03 0.78850E-03 -0.47752E-04 4479 0.567E-02 0.121E-01 RMM: 6 -0.325124747537E+03 0.92211E-04 -0.87483E-05 3610 0.250E-02 0.438E-02 RMM: 7 -0.325124760213E+03 -0.12676E-04 -0.35622E-05 2890 0.170E-02 9561 T= 6120. E= 0.68794726E+03 F= 0.63731730E+03 E0= 0.66601966E+03 EK= 0.50630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323894952624E+03 0.12298E+01 -0.16334E-01 7836 0.218E+01 0.376E-01 RMM: 2 -0.323911751981E+03 -0.16799E-01 -0.12408E-01 5263 0.879E-01 0.111E+00 RMM: 3 -0.323903973739E+03 0.77782E-02 -0.13045E-02 5537 0.240E-01 0.282E-01 RMM: 4 -0.323904411011E+03 -0.43727E-03 -0.20730E-03 4930 0.108E-01 0.419E-01 RMM: 5 -0.323903232279E+03 0.11787E-02 -0.67773E-04 4561 0.686E-02 0.993E-02 RMM: 6 -0.323903182009E+03 0.50270E-04 -0.94762E-05 3666 0.244E-02 0.619E-02 RMM: 7 -0.323903185527E+03 -0.35179E-05 -0.53648E-05 3265 0.204E-02 9562 T= 5057. E= 0.68020043E+03 F= 0.63836208E+03 E0= 0.66707274E+03 EK= 0.41838E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322968853340E+03 0.93433E+00 -0.14227E-01 7812 0.203E+01 0.339E-01 RMM: 2 -0.322983461410E+03 -0.14608E-01 -0.10895E-01 5097 0.813E-01 0.101E+00 RMM: 3 -0.322976818531E+03 0.66429E-02 -0.11943E-02 5573 0.224E-01 0.253E-01 RMM: 4 -0.322977198444E+03 -0.37991E-03 -0.18018E-03 4848 0.102E-01 0.380E-01 RMM: 5 -0.322976271405E+03 0.92704E-03 -0.55198E-04 4504 0.607E-02 0.131E-01 RMM: 6 -0.322976164076E+03 0.10733E-03 -0.11057E-04 3793 0.274E-02 0.470E-02 RMM: 7 -0.322976177524E+03 -0.13448E-04 -0.35165E-05 2942 0.171E-02 9563 T= 4511. E= 0.67642257E+03 F= 0.63910317E+03 E0= 0.66782447E+03 EK= 0.37319E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322442946700E+03 0.53322E+00 -0.13145E-01 7968 0.198E+01 0.278E-01 RMM: 2 -0.322454439580E+03 -0.11493E-01 -0.78643E-02 5078 0.675E-01 0.931E-01 RMM: 3 -0.322448666881E+03 0.57727E-02 -0.87756E-03 5540 0.195E-01 0.197E-01 RMM: 4 -0.322448890911E+03 -0.22403E-03 -0.11858E-03 4632 0.800E-02 0.295E-01 RMM: 5 -0.322448321134E+03 0.56978E-03 -0.32851E-04 3990 0.459E-02 0.950E-02 RMM: 6 -0.322448271151E+03 0.49982E-04 -0.75256E-05 3506 0.242E-02 0.475E-02 RMM: 7 -0.322448288106E+03 -0.16955E-04 -0.32781E-05 2725 0.162E-02 9564 T= 4500. E= 0.67666863E+03 F= 0.63944399E+03 E0= 0.66817917E+03 EK= 0.37225E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322339683391E+03 0.10859E+00 -0.13503E-01 8256 0.205E+01 0.209E-01 RMM: 2 -0.322348009754E+03 -0.83264E-02 -0.61539E-02 5198 0.578E-01 0.746E-01 RMM: 3 -0.322344283595E+03 0.37262E-02 -0.61710E-03 5676 0.156E-01 0.154E-01 RMM: 4 -0.322344288367E+03 -0.47730E-05 -0.67404E-04 4599 0.614E-02 0.196E-01 RMM: 5 -0.322344074851E+03 0.21352E-03 -0.19919E-04 3886 0.363E-02 0.110E-01 RMM: 6 -0.322344005962E+03 0.68890E-04 -0.88206E-05 3644 0.268E-02 0.515E-02 RMM: 7 -0.322344033257E+03 -0.27296E-04 -0.42788E-05 3112 0.184E-02 0.863E-02 RMM: 8 -0.322343984931E+03 0.48326E-04 -0.25727E-05 2679 0.169E-02 0.275E-02 RMM: 9 -0.322343980780E+03 0.41509E-05 -0.69905E-06 2456 0.755E-03 9565 T= 5029. E= 0.68097213E+03 F= 0.63936948E+03 E0= 0.66812403E+03 EK= 0.41603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322601303056E+03 -0.25732E+00 -0.16631E-01 8448 0.223E+01 0.188E-01 RMM: 2 -0.322613796004E+03 -0.12493E-01 -0.98669E-02 5142 0.730E-01 0.797E-01 RMM: 3 -0.322609577233E+03 0.42188E-02 -0.10023E-02 5847 0.186E-01 0.161E-01 RMM: 4 -0.322609285028E+03 0.29220E-03 -0.58975E-04 4551 0.557E-02 0.124E-01 RMM: 5 -0.322609178991E+03 0.10604E-03 -0.15384E-04 3879 0.358E-02 0.784E-02 RMM: 6 -0.322609174817E+03 0.41740E-05 -0.94007E-05 3703 0.264E-02 9566 T= 6096. E= 0.68937437E+03 F= 0.63894071E+03 E0= 0.66772008E+03 EK= 0.50434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323078530587E+03 -0.46935E+00 -0.20610E-01 8568 0.248E+01 0.332E-01 RMM: 2 -0.323113610527E+03 -0.35080E-01 -0.14922E-01 5260 0.928E-01 0.186E+00 RMM: 3 -0.323090654677E+03 0.22956E-01 -0.18256E-02 5420 0.308E-01 0.318E-01 RMM: 4 -0.323089945932E+03 0.70874E-03 -0.18242E-03 4881 0.825E-02 0.137E-01 RMM: 5 -0.323089818578E+03 0.12735E-03 -0.21278E-04 3915 0.398E-02 0.108E-01 RMM: 6 -0.323089787012E+03 0.31566E-04 -0.89927E-05 3789 0.258E-02 0.112E-01 RMM: 7 -0.323089792879E+03 -0.58669E-05 -0.18909E-04 3896 0.384E-02 9567 T= 7522. E= 0.70054510E+03 F= 0.63831384E+03 E0= 0.66712496E+03 EK= 0.62231E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323518870302E+03 -0.42908E+00 -0.25803E-01 8496 0.271E+01 0.385E-01 RMM: 2 -0.323565361366E+03 -0.46491E-01 -0.24367E-01 5212 0.121E+00 0.200E+00 RMM: 3 -0.323539252227E+03 0.26109E-01 -0.27349E-02 5503 0.363E-01 0.437E-01 RMM: 4 -0.323537783815E+03 0.14684E-02 -0.26552E-03 5025 0.112E-01 0.177E-01 RMM: 5 -0.323537597423E+03 0.18639E-03 -0.40353E-04 4085 0.495E-02 0.145E-01 RMM: 6 -0.323537495283E+03 0.10214E-03 -0.11742E-04 3871 0.293E-02 0.112E-01 RMM: 7 -0.323537485014E+03 0.10268E-04 -0.17305E-04 3910 0.362E-02 9568 T= 8716. E= 0.70983600E+03 F= 0.63773403E+03 E0= 0.66657945E+03 EK= 0.72102E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323697978243E+03 -0.16048E+00 -0.27956E-01 8484 0.281E+01 0.326E-01 RMM: 2 -0.323736940802E+03 -0.38963E-01 -0.22867E-01 5252 0.113E+00 0.170E+00 RMM: 3 -0.323717497717E+03 0.19443E-01 -0.23793E-02 5617 0.323E-01 0.340E-01 RMM: 4 -0.323716544865E+03 0.95285E-03 -0.18941E-03 4913 0.918E-02 0.146E-01 RMM: 5 -0.323716386188E+03 0.15868E-03 -0.28989E-04 3915 0.441E-02 0.121E-01 RMM: 6 -0.323716345536E+03 0.40652E-04 -0.11002E-04 3851 0.288E-02 0.110E-01 RMM: 7 -0.323716351036E+03 -0.55001E-05 -0.14915E-04 3894 0.332E-02 9569 T= 8890. E= 0.71097245E+03 F= 0.63743023E+03 E0= 0.66630688E+03 EK= 0.73542E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323554755318E+03 0.16159E+00 -0.26152E-01 8436 0.272E+01 0.268E-01 RMM: 2 -0.323580084831E+03 -0.25330E-01 -0.18522E-01 5181 0.987E-01 0.119E+00 RMM: 3 -0.323569906447E+03 0.10178E-01 -0.17061E-02 5896 0.267E-01 0.260E-01 RMM: 4 -0.323569311607E+03 0.59484E-03 -0.11687E-03 4825 0.764E-02 0.138E-01 RMM: 5 -0.323569227630E+03 0.83978E-04 -0.24160E-04 3971 0.418E-02 0.125E-01 RMM: 6 -0.323569152359E+03 0.75270E-04 -0.11610E-04 3867 0.301E-02 0.809E-02 RMM: 7 -0.323569209981E+03 -0.57622E-04 -0.11377E-04 3879 0.285E-02 0.130E-01 RMM: 8 -0.323569100319E+03 0.10966E-03 -0.57105E-05 3345 0.222E-02 0.405E-02 RMM: 9 -0.323569094412E+03 0.59063E-05 -0.16734E-05 2508 0.117E-02 9570 T= 7911. E= 0.70289527E+03 F= 0.63745151E+03 E0= 0.66635258E+03 EK= 0.65444E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323235618027E+03 0.33348E+00 -0.23995E-01 8280 0.249E+01 0.254E-01 RMM: 2 -0.323259426647E+03 -0.23809E-01 -0.19128E-01 5148 0.986E-01 0.975E-01 RMM: 3 -0.323251146163E+03 0.82805E-02 -0.16768E-02 5643 0.276E-01 0.183E-01 RMM: 4 -0.323251283797E+03 -0.13763E-03 -0.13435E-03 5093 0.845E-02 0.269E-01 RMM: 5 -0.323250840835E+03 0.44296E-03 -0.27231E-04 3920 0.411E-02 0.110E-01 RMM: 6 -0.323250766043E+03 0.74792E-04 -0.73561E-05 3469 0.242E-02 0.445E-02 RMM: 7 -0.323250787270E+03 -0.21227E-04 -0.38680E-05 2966 0.177E-02 0.763E-02 RMM: 8 -0.323250755095E+03 0.32175E-04 -0.39544E-05 2817 0.184E-02 0.331E-02 RMM: 9 -0.323250751490E+03 0.36052E-05 -0.13510E-05 2476 0.106E-02 9571 T= 6474. E= 0.69119628E+03 F= 0.63763593E+03 E0= 0.66654911E+03 EK= 0.53560E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322977328002E+03 0.27343E+00 -0.19503E-01 8580 0.225E+01 0.329E-01 RMM: 2 -0.322996717650E+03 -0.19390E-01 -0.16410E-01 5183 0.951E-01 0.932E-01 RMM: 3 -0.322990215854E+03 0.65018E-02 -0.15593E-02 5717 0.258E-01 0.257E-01 RMM: 4 -0.322990419028E+03 -0.20317E-03 -0.17346E-03 4962 0.995E-02 0.358E-01 RMM: 5 -0.322989613204E+03 0.80582E-03 -0.52059E-04 4524 0.600E-02 0.129E-01 RMM: 6 -0.322989500727E+03 0.11248E-03 -0.83672E-05 3605 0.240E-02 0.451E-02 RMM: 7 -0.322989500498E+03 0.22940E-06 -0.32983E-05 2827 0.166E-02 9572 T= 5279. E= 0.68142537E+03 F= 0.63775199E+03 E0= 0.66666861E+03 EK= 0.43673E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322948240010E+03 0.41261E-01 -0.15400E-01 8604 0.207E+01 0.298E-01 RMM: 2 -0.322964173525E+03 -0.15934E-01 -0.13121E-01 5153 0.851E-01 0.893E-01 RMM: 3 -0.322958688222E+03 0.54853E-02 -0.13113E-02 5721 0.233E-01 0.245E-01 RMM: 4 -0.322958798351E+03 -0.11013E-03 -0.14399E-03 4853 0.900E-02 0.324E-01 RMM: 5 -0.322958121235E+03 0.67712E-03 -0.42928E-04 4303 0.545E-02 0.109E-01 RMM: 6 -0.322958047860E+03 0.73375E-04 -0.73224E-05 3502 0.232E-02 0.510E-02 RMM: 7 -0.322958061922E+03 -0.14062E-04 -0.41603E-05 3029 0.180E-02 9573 T= 4597. E= 0.67566081E+03 F= 0.63762847E+03 E0= 0.66654253E+03 EK= 0.38032E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323235858516E+03 -0.27781E+00 -0.13462E-01 7896 0.199E+01 0.267E-01 RMM: 2 -0.323250298499E+03 -0.14440E-01 -0.10086E-01 5088 0.732E-01 0.961E-01 RMM: 3 -0.323243569869E+03 0.67286E-02 -0.10469E-02 5575 0.214E-01 0.199E-01 RMM: 4 -0.323243781903E+03 -0.21203E-03 -0.11840E-03 4750 0.795E-02 0.289E-01 RMM: 5 -0.323243272753E+03 0.50915E-03 -0.29733E-04 3959 0.439E-02 0.113E-01 RMM: 6 -0.323243188250E+03 0.84503E-04 -0.70563E-05 3463 0.243E-02 0.344E-02 RMM: 7 -0.323243196418E+03 -0.81681E-05 -0.22450E-05 2574 0.135E-02 9574 T= 4453. E= 0.67401999E+03 F= 0.63718451E+03 E0= 0.66609341E+03 EK= 0.36835E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323852450306E+03 -0.60926E+00 -0.12745E-01 8088 0.203E+01 0.209E-01 RMM: 2 -0.323863518696E+03 -0.11068E-01 -0.71528E-02 5134 0.607E-01 0.875E-01 RMM: 3 -0.323858053103E+03 0.54656E-02 -0.72938E-03 5516 0.180E-01 0.165E-01 RMM: 4 -0.323858009494E+03 0.43609E-04 -0.70963E-04 4646 0.589E-02 0.173E-01 RMM: 5 -0.323857846625E+03 0.16287E-03 -0.16807E-04 3876 0.338E-02 0.102E-01 RMM: 6 -0.323857783316E+03 0.63309E-04 -0.71385E-05 3482 0.242E-02 0.461E-02 RMM: 7 -0.323857813196E+03 -0.29880E-04 -0.39894E-05 3031 0.181E-02 0.851E-02 RMM: 8 -0.323857766456E+03 0.46741E-04 -0.27071E-05 2650 0.169E-02 0.292E-02 RMM: 9 -0.323857761469E+03 0.49862E-05 -0.79176E-06 2456 0.812E-03 9575 T= 4831. E= 0.67638238E+03 F= 0.63641525E+03 E0= 0.66531750E+03 EK= 0.39967E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324734361674E+03 -0.87660E+00 -0.14168E-01 7920 0.218E+01 0.184E-01 RMM: 2 -0.324744666410E+03 -0.10305E-01 -0.71974E-02 5188 0.630E-01 0.804E-01 RMM: 3 -0.324740217988E+03 0.44484E-02 -0.72964E-03 5707 0.169E-01 0.159E-01 RMM: 4 -0.324740013771E+03 0.20422E-03 -0.52473E-04 4480 0.515E-02 0.109E-01 RMM: 5 -0.324739947737E+03 0.66035E-04 -0.12974E-04 3862 0.316E-02 0.912E-02 RMM: 6 -0.324739906219E+03 0.41518E-04 -0.70404E-05 3519 0.237E-02 0.582E-02 RMM: 7 -0.324739926874E+03 -0.20655E-04 -0.47391E-05 3172 0.197E-02 0.891E-02 RMM: 8 -0.324739873656E+03 0.53217E-04 -0.26433E-05 2667 0.167E-02 0.219E-02 RMM: 9 -0.324739871637E+03 0.20198E-05 -0.75034E-06 2452 0.742E-03 9576 T= 5726. E= 0.68275746E+03 F= 0.63538942E+03 E0= 0.66428519E+03 EK= 0.47368E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325722894690E+03 -0.98302E+00 -0.17062E-01 8124 0.240E+01 0.193E-01 RMM: 2 -0.325735399518E+03 -0.12505E-01 -0.95563E-02 5319 0.758E-01 0.842E-01 RMM: 3 -0.325730882116E+03 0.45174E-02 -0.90272E-03 5768 0.185E-01 0.175E-01 RMM: 4 -0.325730579112E+03 0.30300E-03 -0.55157E-04 4647 0.537E-02 0.122E-01 RMM: 5 -0.325730473957E+03 0.10516E-03 -0.11147E-04 3841 0.294E-02 0.829E-02 RMM: 6 -0.325730480567E+03 -0.66097E-05 -0.66015E-05 3483 0.224E-02 9577 T= 7020. E= 0.69234746E+03 F= 0.63426928E+03 E0= 0.66315852E+03 EK= 0.58078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326561610833E+03 -0.83114E+00 -0.20573E-01 7992 0.264E+01 0.276E-01 RMM: 2 -0.326587883817E+03 -0.26273E-01 -0.13399E-01 5313 0.895E-01 0.149E+00 RMM: 3 -0.326572685880E+03 0.15198E-01 -0.13684E-02 5421 0.260E-01 0.256E-01 RMM: 4 -0.326572249012E+03 0.43687E-03 -0.11800E-03 4838 0.686E-02 0.132E-01 RMM: 5 -0.326572131263E+03 0.11775E-03 -0.15534E-04 3865 0.359E-02 0.108E-01 RMM: 6 -0.326572125973E+03 0.52907E-05 -0.87485E-05 3746 0.253E-02 9578 T= 8273. E= 0.70175348E+03 F= 0.63331098E+03 E0= 0.66219701E+03 EK= 0.68442E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326987160537E+03 -0.41503E+00 -0.22379E-01 7776 0.278E+01 0.481E-01 RMM: 2 -0.327043044321E+03 -0.55884E-01 -0.18139E-01 5275 0.108E+00 0.250E+00 RMM: 3 -0.327000766658E+03 0.42278E-01 -0.26484E-02 5361 0.404E-01 0.505E-01 RMM: 4 -0.326998881354E+03 0.18853E-02 -0.31820E-03 5324 0.120E-01 0.157E-01 RMM: 5 -0.326998733011E+03 0.14834E-03 -0.36651E-04 3942 0.424E-02 0.128E-01 RMM: 6 -0.326998643851E+03 0.89160E-04 -0.94291E-05 3838 0.270E-02 0.902E-02 RMM: 7 -0.326998685458E+03 -0.41607E-04 -0.12523E-04 3878 0.307E-02 0.137E-01 RMM: 8 -0.326998548050E+03 0.13741E-03 -0.95193E-05 3880 0.264E-02 0.561E-02 RMM: 9 -0.326998536572E+03 0.11478E-04 -0.26258E-05 2630 0.149E-02 9579 T= 8758. E= 0.70523166E+03 F= 0.63277602E+03 E0= 0.66166535E+03 EK= 0.72456E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326899308057E+03 0.99240E-01 -0.23506E-01 7764 0.274E+01 0.364E-01 RMM: 2 -0.326936675024E+03 -0.37367E-01 -0.15604E-01 4990 0.966E-01 0.187E+00 RMM: 3 -0.326912222724E+03 0.24452E-01 -0.21508E-02 5359 0.348E-01 0.388E-01 RMM: 4 -0.326911302854E+03 0.91987E-03 -0.25339E-03 5266 0.108E-01 0.171E-01 RMM: 5 -0.326911198786E+03 0.10407E-03 -0.36401E-04 3977 0.468E-02 0.158E-01 RMM: 6 -0.326911033382E+03 0.16540E-03 -0.12899E-04 3869 0.318E-02 0.585E-02 RMM: 7 -0.326911064720E+03 -0.31338E-04 -0.91848E-05 3845 0.260E-02 0.961E-02 RMM: 8 -0.326911003480E+03 0.61240E-04 -0.44531E-05 3137 0.201E-02 0.365E-02 RMM: 9 -0.326910999204E+03 0.42755E-05 -0.14943E-05 2491 0.111E-02 9580 T= 8124. E= 0.69996665E+03 F= 0.63275676E+03 E0= 0.66165117E+03 EK= 0.67210E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326447431918E+03 0.46357E+00 -0.21722E-01 7932 0.256E+01 0.358E-01 RMM: 2 -0.326481721904E+03 -0.34290E-01 -0.16985E-01 4860 0.101E+00 0.173E+00 RMM: 3 -0.326460961198E+03 0.20761E-01 -0.21141E-02 5475 0.329E-01 0.324E-01 RMM: 4 -0.326460378389E+03 0.58281E-03 -0.21832E-03 5274 0.105E-01 0.200E-01 RMM: 5 -0.326460308039E+03 0.70350E-04 -0.36930E-04 3949 0.443E-02 0.189E-01 RMM: 6 -0.326460072560E+03 0.23548E-03 -0.13821E-04 3872 0.330E-02 0.512E-02 RMM: 7 -0.326460087908E+03 -0.15348E-04 -0.43936E-05 3069 0.186E-02 9581 T= 6836. E= 0.68964554E+03 F= 0.63309678E+03 E0= 0.66199899E+03 EK= 0.56549E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325913854638E+03 0.54622E+00 -0.18792E-01 8004 0.233E+01 0.311E-01 RMM: 2 -0.325934014780E+03 -0.20160E-01 -0.16306E-01 5047 0.974E-01 0.977E-01 RMM: 3 -0.325927202152E+03 0.68126E-02 -0.17747E-02 5615 0.278E-01 0.246E-01 RMM: 4 -0.325927193641E+03 0.85118E-05 -0.15928E-03 4995 0.924E-02 0.298E-01 RMM: 5 -0.325926604363E+03 0.58928E-03 -0.39535E-04 4214 0.514E-02 0.994E-02 RMM: 6 -0.325926547131E+03 0.57232E-04 -0.63935E-05 3404 0.221E-02 0.494E-02 RMM: 7 -0.325926546774E+03 0.35715E-06 -0.30283E-05 2659 0.160E-02 9582 T= 5603. E= 0.67986565E+03 F= 0.63351200E+03 E0= 0.66242310E+03 EK= 0.46354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325548330007E+03 0.37822E+00 -0.15075E-01 8184 0.214E+01 0.331E-01 RMM: 2 -0.325569581723E+03 -0.21252E-01 -0.12632E-01 5173 0.874E-01 0.131E+00 RMM: 3 -0.325558059839E+03 0.11522E-01 -0.13585E-02 5492 0.256E-01 0.289E-01 RMM: 4 -0.325557897556E+03 0.16228E-03 -0.18367E-03 4929 0.101E-01 0.280E-01 RMM: 5 -0.325557461832E+03 0.43572E-03 -0.42357E-04 4317 0.525E-02 0.155E-01 RMM: 6 -0.325557303313E+03 0.15852E-03 -0.12431E-04 3867 0.305E-02 0.473E-02 RMM: 7 -0.325557306387E+03 -0.30733E-05 -0.29793E-05 2714 0.161E-02 9583 T= 4806. E= 0.67351590E+03 F= 0.63375588E+03 E0= 0.66267460E+03 EK= 0.39760E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325495255561E+03 0.62048E-01 -0.13135E-01 8244 0.204E+01 0.259E-01 RMM: 2 -0.325506808101E+03 -0.11553E-01 -0.85681E-02 5245 0.701E-01 0.857E-01 RMM: 3 -0.325501772806E+03 0.50353E-02 -0.84666E-03 5513 0.197E-01 0.217E-01 RMM: 4 -0.325501814117E+03 -0.41311E-04 -0.10265E-03 4653 0.750E-02 0.251E-01 RMM: 5 -0.325501408611E+03 0.40551E-03 -0.25548E-04 3900 0.403E-02 0.970E-02 RMM: 6 -0.325501352251E+03 0.56360E-04 -0.53139E-05 3269 0.217E-02 0.414E-02 RMM: 7 -0.325501361948E+03 -0.96969E-05 -0.26368E-05 2591 0.146E-02 9584 T= 4528. E= 0.67114226E+03 F= 0.63368345E+03 E0= 0.66260870E+03 EK= 0.37459E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325820652000E+03 -0.31930E+00 -0.12773E-01 8580 0.205E+01 0.222E-01 RMM: 2 -0.325832164504E+03 -0.11513E-01 -0.66782E-02 5257 0.605E-01 0.969E-01 RMM: 3 -0.325825675357E+03 0.64891E-02 -0.65160E-03 5491 0.175E-01 0.196E-01 RMM: 4 -0.325825527955E+03 0.14740E-03 -0.80064E-04 4619 0.654E-02 0.159E-01 RMM: 5 -0.325825421701E+03 0.10625E-03 -0.17747E-04 3877 0.337E-02 0.114E-01 RMM: 6 -0.325825335070E+03 0.86631E-04 -0.65150E-05 3412 0.242E-02 0.385E-02 RMM: 7 -0.325825350489E+03 -0.15418E-04 -0.27055E-05 2654 0.149E-02 9585 T= 4768. E= 0.67267474E+03 F= 0.63323413E+03 E0= 0.66216425E+03 EK= 0.39441E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326516836341E+03 -0.69150E+00 -0.14454E-01 8664 0.216E+01 0.221E-01 RMM: 2 -0.326530373404E+03 -0.13537E-01 -0.82301E-02 5187 0.679E-01 0.101E+00 RMM: 3 -0.326523305433E+03 0.70680E-02 -0.85059E-03 5497 0.200E-01 0.205E-01 RMM: 4 -0.326522991885E+03 0.31355E-03 -0.75849E-04 4705 0.583E-02 0.968E-02 RMM: 5 -0.326522949800E+03 0.42084E-04 -0.13542E-04 3877 0.311E-02 0.940E-02 RMM: 6 -0.326522902563E+03 0.47237E-04 -0.55937E-05 3322 0.217E-02 0.545E-02 RMM: 7 -0.326522930183E+03 -0.27620E-04 -0.49844E-05 3194 0.196E-02 0.932E-02 RMM: 8 -0.326522873869E+03 0.56314E-04 -0.35197E-05 2816 0.187E-02 0.327E-02 RMM: 9 -0.326522868179E+03 0.56897E-05 -0.11192E-05 2464 0.936E-03 9586 T= 5524. E= 0.67812138E+03 F= 0.63241991E+03 E0= 0.66135117E+03 EK= 0.45701E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327488429746E+03 -0.96556E+00 -0.17663E-01 8748 0.237E+01 0.185E-01 RMM: 2 -0.327502193699E+03 -0.13764E-01 -0.10958E-01 5333 0.777E-01 0.810E-01 RMM: 3 -0.327497765981E+03 0.44277E-02 -0.95374E-03 5769 0.185E-01 0.186E-01 RMM: 4 -0.327497443041E+03 0.32294E-03 -0.62071E-04 4626 0.587E-02 0.131E-01 RMM: 5 -0.327497313679E+03 0.12936E-03 -0.14272E-04 3876 0.324E-02 0.792E-02 RMM: 6 -0.327497300225E+03 0.13454E-04 -0.55796E-05 3323 0.211E-02 9587 T= 6725. E= 0.68697794E+03 F= 0.63134042E+03 E0= 0.66026654E+03 EK= 0.55638E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328526291450E+03 -0.10290E+01 -0.21897E-01 9012 0.260E+01 0.312E-01 RMM: 2 -0.328558870919E+03 -0.32579E-01 -0.15948E-01 5367 0.956E-01 0.171E+00 RMM: 3 -0.328539084196E+03 0.19787E-01 -0.15502E-02 5414 0.287E-01 0.306E-01 RMM: 4 -0.328538435590E+03 0.64861E-03 -0.14446E-03 4763 0.781E-02 0.133E-01 RMM: 5 -0.328538313636E+03 0.12195E-03 -0.17577E-04 3907 0.362E-02 0.119E-01 RMM: 6 -0.328538286343E+03 0.27293E-04 -0.65203E-05 3502 0.229E-02 0.118E-01 RMM: 7 -0.328538233240E+03 0.53103E-04 -0.17936E-04 3890 0.366E-02 0.130E-01 RMM: 8 -0.328538113410E+03 0.11983E-03 -0.10343E-04 3879 0.275E-02 0.522E-02 RMM: 9 -0.328538113665E+03 -0.25545E-06 -0.44292E-05 2942 0.193E-02 9588 T= 8023. E= 0.69657788E+03 F= 0.63020574E+03 E0= 0.65912194E+03 EK= 0.66372E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329344737125E+03 -0.80662E+00 -0.25107E-01 8616 0.277E+01 0.379E-01 RMM: 2 -0.329379825082E+03 -0.35088E-01 -0.21668E-01 5354 0.116E+00 0.165E+00 RMM: 3 -0.329361882565E+03 0.17943E-01 -0.19812E-02 5534 0.303E-01 0.348E-01 RMM: 4 -0.329361226627E+03 0.65594E-03 -0.25076E-03 5145 0.120E-01 0.272E-01 RMM: 5 -0.329360722709E+03 0.50392E-03 -0.58504E-04 4596 0.652E-02 0.135E-01 RMM: 6 -0.329360627975E+03 0.94734E-04 -0.12032E-04 3835 0.278E-02 0.818E-02 RMM: 7 -0.329360610319E+03 0.17656E-04 -0.83497E-05 3852 0.256E-02 9589 T= 8731. E= 0.70152291E+03 F= 0.62929724E+03 E0= 0.65819118E+03 EK= 0.72226E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329740124004E+03 -0.37950E+00 -0.26328E-01 8760 0.278E+01 0.268E-01 RMM: 2 -0.329765658920E+03 -0.25535E-01 -0.17990E-01 5417 0.999E-01 0.124E+00 RMM: 3 -0.329755141143E+03 0.10518E-01 -0.14678E-02 5729 0.252E-01 0.256E-01 RMM: 4 -0.329754569394E+03 0.57175E-03 -0.10233E-03 4762 0.694E-02 0.129E-01 RMM: 5 -0.329754438321E+03 0.13107E-03 -0.16808E-04 3896 0.362E-02 0.110E-01 RMM: 6 -0.329754434169E+03 0.41522E-05 -0.83334E-05 3713 0.247E-02 9590 T= 8346. E= 0.69786511E+03 F= 0.62882034E+03 E0= 0.65768307E+03 EK= 0.69045E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329724620339E+03 0.29818E-01 -0.25358E-01 8580 0.262E+01 0.346E-01 RMM: 2 -0.329756486712E+03 -0.31866E-01 -0.16910E-01 5178 0.956E-01 0.160E+00 RMM: 3 -0.329737873998E+03 0.18613E-01 -0.19224E-02 5360 0.325E-01 0.250E-01 RMM: 4 -0.329737547121E+03 0.32688E-03 -0.16385E-03 4870 0.836E-02 0.165E-01 RMM: 5 -0.329737399043E+03 0.14808E-03 -0.20696E-04 4014 0.367E-02 0.119E-01 RMM: 6 -0.329737320015E+03 0.79028E-04 -0.82763E-05 3562 0.260E-02 0.658E-02 RMM: 7 -0.329737360269E+03 -0.40254E-04 -0.86525E-05 3750 0.245E-02 0.108E-01 RMM: 8 -0.329737293800E+03 0.66469E-04 -0.86972E-05 3845 0.231E-02 0.576E-02 RMM: 9 -0.329737273050E+03 0.20750E-04 -0.20166E-05 2573 0.131E-02 0.199E-02 RMM: 10 -0.329737277363E+03 -0.43130E-05 -0.82570E-06 2456 0.939E-03 9591 T= 7155. E= 0.68794721E+03 F= 0.62875256E+03 E0= 0.65757858E+03 EK= 0.59195E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329510870066E+03 0.22640E+00 -0.22658E-01 8496 0.239E+01 0.337E-01 RMM: 2 -0.329538155162E+03 -0.27285E-01 -0.17876E-01 5042 0.993E-01 0.134E+00 RMM: 3 -0.329525108373E+03 0.13047E-01 -0.19569E-02 5429 0.323E-01 0.313E-01 RMM: 4 -0.329524704374E+03 0.40400E-03 -0.18652E-03 5209 0.962E-02 0.237E-01 RMM: 5 -0.329524398009E+03 0.30637E-03 -0.31577E-04 4013 0.459E-02 0.127E-01 RMM: 6 -0.329524296792E+03 0.10122E-03 -0.91535E-05 3670 0.274E-02 0.531E-02 RMM: 7 -0.329524318778E+03 -0.21986E-04 -0.49735E-05 3133 0.193E-02 0.834E-02 RMM: 8 -0.329524281467E+03 0.37311E-04 -0.77410E-05 3798 0.216E-02 0.330E-02 RMM: 9 -0.329524282465E+03 -0.99850E-06 -0.18433E-05 2542 0.124E-02 9592 T= 5872. E= 0.67745232E+03 F= 0.62887569E+03 E0= 0.65766051E+03 EK= 0.48577E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329359308180E+03 0.16497E+00 -0.18740E-01 8856 0.217E+01 0.317E-01 RMM: 2 -0.329378661764E+03 -0.19354E-01 -0.15393E-01 5080 0.974E-01 0.100E+00 RMM: 3 -0.329371735328E+03 0.69264E-02 -0.16944E-02 5659 0.274E-01 0.235E-01 RMM: 4 -0.329371810579E+03 -0.75251E-04 -0.15928E-03 4961 0.964E-02 0.321E-01 RMM: 5 -0.329371143803E+03 0.66678E-03 -0.41557E-04 4378 0.543E-02 0.108E-01 RMM: 6 -0.329371069517E+03 0.74285E-04 -0.66691E-05 3449 0.223E-02 0.458E-02 RMM: 7 -0.329371063463E+03 0.60541E-05 -0.28558E-05 2592 0.153E-02 9593 T= 4963. E= 0.66999332E+03 F= 0.62893374E+03 E0= 0.65767801E+03 EK= 0.41060E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329461493138E+03 -0.90424E-01 -0.15166E-01 8664 0.204E+01 0.233E-01 RMM: 2 -0.329474917888E+03 -0.13425E-01 -0.11163E-01 5039 0.808E-01 0.744E-01 RMM: 3 -0.329470908673E+03 0.40092E-02 -0.11688E-02 5770 0.219E-01 0.207E-01 RMM: 4 -0.329470733422E+03 0.17525E-03 -0.96922E-04 4858 0.767E-02 0.209E-01 RMM: 5 -0.329470430182E+03 0.30324E-03 -0.24751E-04 3914 0.420E-02 0.818E-02 RMM: 6 -0.329470399993E+03 0.30188E-04 -0.42649E-05 3061 0.198E-02 0.588E-02 RMM: 7 -0.329470410160E+03 -0.10167E-04 -0.70927E-05 3580 0.214E-02 9594 T= 4564. E= 0.66649116E+03 F= 0.62873648E+03 E0= 0.65744124E+03 EK= 0.37755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329925479145E+03 -0.45508E+00 -0.13412E-01 8172 0.202E+01 0.220E-01 RMM: 2 -0.329937834151E+03 -0.12355E-01 -0.88671E-02 4823 0.709E-01 0.853E-01 RMM: 3 -0.329932676933E+03 0.51572E-02 -0.10191E-02 5607 0.211E-01 0.188E-01 RMM: 4 -0.329932639945E+03 0.36988E-04 -0.97325E-04 4744 0.743E-02 0.202E-01 RMM: 5 -0.329932406308E+03 0.23364E-03 -0.20357E-04 3894 0.374E-02 0.968E-02 RMM: 6 -0.329932343649E+03 0.62660E-04 -0.45382E-05 3137 0.209E-02 0.262E-02 RMM: 7 -0.329932346520E+03 -0.28712E-05 -0.15127E-05 2498 0.118E-02 9595 T= 4681. E= 0.66689916E+03 F= 0.62817827E+03 E0= 0.65684524E+03 EK= 0.38721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330785917630E+03 -0.85357E+00 -0.14109E-01 8160 0.210E+01 0.155E-01 RMM: 2 -0.330797717108E+03 -0.11799E-01 -0.82343E-02 4828 0.672E-01 0.793E-01 RMM: 3 -0.330792959324E+03 0.47578E-02 -0.89789E-03 5617 0.191E-01 0.146E-01 RMM: 4 -0.330792749703E+03 0.20962E-03 -0.51335E-04 4597 0.514E-02 0.808E-02 RMM: 5 -0.330792707119E+03 0.42585E-04 -0.82984E-05 3614 0.267E-02 0.655E-02 RMM: 6 -0.330792686094E+03 0.21025E-04 -0.33855E-05 2752 0.172E-02 0.521E-02 RMM: 7 -0.330792701136E+03 -0.15042E-04 -0.55467E-05 3296 0.202E-02 9596 T= 5314. E= 0.67118764E+03 F= 0.62722770E+03 E0= 0.65586142E+03 EK= 0.43960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331994443694E+03 -0.12018E+01 -0.15942E-01 8124 0.229E+01 0.174E-01 RMM: 2 -0.332006325949E+03 -0.11882E-01 -0.85370E-02 4986 0.719E-01 0.814E-01 RMM: 3 -0.332001734244E+03 0.45917E-02 -0.93109E-03 5723 0.194E-01 0.177E-01 RMM: 4 -0.332001442303E+03 0.29194E-03 -0.56651E-04 4618 0.548E-02 0.937E-02 RMM: 5 -0.332001378240E+03 0.64062E-04 -0.10164E-04 3811 0.293E-02 0.681E-02 RMM: 6 -0.332001366319E+03 0.11922E-04 -0.39941E-05 2965 0.188E-02 9597 T= 6422. E= 0.67906146E+03 F= 0.62593765E+03 E0= 0.65454051E+03 EK= 0.53124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333392998927E+03 -0.13916E+01 -0.19302E-01 8520 0.252E+01 0.262E-01 RMM: 2 -0.333415415024E+03 -0.22416E-01 -0.11609E-01 5228 0.838E-01 0.136E+00 RMM: 3 -0.333402804816E+03 0.12610E-01 -0.12512E-02 5403 0.252E-01 0.312E-01 RMM: 4 -0.333402128436E+03 0.67638E-03 -0.12286E-03 4691 0.749E-02 0.116E-01 RMM: 5 -0.333402029786E+03 0.98650E-04 -0.15919E-04 3904 0.327E-02 0.939E-02 RMM: 6 -0.333401996295E+03 0.33491E-04 -0.39858E-05 2752 0.192E-02 0.848E-02 RMM: 7 -0.333401983152E+03 0.13143E-04 -0.92269E-05 3875 0.263E-02 9598 T= 7741. E= 0.68850388E+03 F= 0.62446463E+03 E0= 0.65304608E+03 EK= 0.64039E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334731580538E+03 -0.13296E+01 -0.23085E-01 8256 0.271E+01 0.302E-01 RMM: 2 -0.334758897888E+03 -0.27317E-01 -0.14772E-01 5258 0.978E-01 0.152E+00 RMM: 3 -0.334743852502E+03 0.15045E-01 -0.15350E-02 5495 0.273E-01 0.298E-01 RMM: 4 -0.334743205030E+03 0.64747E-03 -0.15723E-03 4766 0.894E-02 0.160E-01 RMM: 5 -0.334743024158E+03 0.18087E-03 -0.26473E-04 3910 0.435E-02 0.107E-01 RMM: 6 -0.334742970287E+03 0.53871E-04 -0.64184E-05 3449 0.229E-02 0.805E-02 RMM: 7 -0.334742940952E+03 0.29334E-04 -0.89088E-05 3856 0.264E-02 0.888E-02 RMM: 8 -0.334742883211E+03 0.57742E-04 -0.48531E-05 3094 0.209E-02 0.409E-02 RMM: 9 -0.334742881535E+03 0.16756E-05 -0.24860E-05 2558 0.139E-02 9599 T= 8651. E= 0.69462823E+03 F= 0.62305817E+03 E0= 0.65162893E+03 EK= 0.71570E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335777563517E+03 -0.10347E+01 -0.25094E-01 8448 0.276E+01 0.279E-01 RMM: 2 -0.335801677647E+03 -0.24114E-01 -0.15059E-01 5033 0.960E-01 0.130E+00 RMM: 3 -0.335790119578E+03 0.11558E-01 -0.16486E-02 5568 0.273E-01 0.224E-01 RMM: 4 -0.335789940455E+03 0.17912E-03 -0.14297E-03 4951 0.875E-02 0.224E-01 RMM: 5 -0.335789588993E+03 0.35146E-03 -0.29826E-04 3989 0.459E-02 0.809E-02 RMM: 6 -0.335789564803E+03 0.24190E-04 -0.70481E-05 3508 0.230E-02 0.676E-02 RMM: 7 -0.335789550187E+03 0.14616E-04 -0.46406E-05 2975 0.205E-02 9600 T= 8542. E= 0.69261098E+03 F= 0.62194929E+03 E0= 0.65051810E+03 EK= 0.70662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336449231783E+03 -0.65967E+00 -0.24518E-01 8052 0.265E+01 0.224E-01 RMM: 2 -0.336467489175E+03 -0.18257E-01 -0.15118E-01 4796 0.947E-01 0.866E-01 RMM: 3 -0.336462235642E+03 0.52535E-02 -0.17804E-02 5809 0.270E-01 0.173E-01 RMM: 4 -0.336461952834E+03 0.28281E-03 -0.87462E-04 4831 0.681E-02 0.141E-01 RMM: 5 -0.336461810838E+03 0.14200E-03 -0.15080E-04 4033 0.340E-02 0.821E-02 RMM: 6 -0.336461809900E+03 0.93854E-06 -0.70540E-05 3442 0.233E-02 9601 T= 7498. E= 0.68324059E+03 F= 0.62121441E+03 E0= 0.64978839E+03 EK= 0.62026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336837536595E+03 -0.37573E+00 -0.21617E-01 7824 0.244E+01 0.341E-01 RMM: 2 -0.336871237791E+03 -0.33701E-01 -0.15745E-01 4804 0.973E-01 0.174E+00 RMM: 3 -0.336850180993E+03 0.21057E-01 -0.20868E-02 5374 0.337E-01 0.281E-01 RMM: 4 -0.336849721151E+03 0.45984E-03 -0.19639E-03 5104 0.926E-02 0.148E-01 RMM: 5 -0.336849642217E+03 0.78934E-04 -0.24242E-04 3973 0.356E-02 0.125E-01 RMM: 6 -0.336849542105E+03 0.10011E-03 -0.59243E-05 3327 0.225E-02 0.453E-02 RMM: 7 -0.336849543040E+03 -0.93499E-06 -0.25148E-05 2551 0.151E-02 9602 T= 6190. E= 0.67196548E+03 F= 0.62076086E+03 E0= 0.64934105E+03 EK= 0.51205E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337098735475E+03 -0.24919E+00 -0.17142E-01 8136 0.222E+01 0.323E-01 RMM: 2 -0.337124574035E+03 -0.25839E-01 -0.11148E-01 5103 0.814E-01 0.159E+00 RMM: 3 -0.337107420138E+03 0.17154E-01 -0.14052E-02 5389 0.277E-01 0.318E-01 RMM: 4 -0.337106813501E+03 0.60664E-03 -0.17634E-03 4912 0.925E-02 0.169E-01 RMM: 5 -0.337106718154E+03 0.95347E-04 -0.27943E-04 3915 0.439E-02 0.135E-01 RMM: 6 -0.337106593853E+03 0.12430E-03 -0.73333E-05 3516 0.248E-02 0.392E-02 RMM: 7 -0.337106595982E+03 -0.21288E-05 -0.22867E-05 2568 0.140E-02 9603 T= 5164. E= 0.66315538E+03 F= 0.62043388E+03 E0= 0.64901786E+03 EK= 0.42721E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337346131781E+03 -0.23954E+00 -0.15948E-01 7968 0.208E+01 0.252E-01 RMM: 2 -0.337363652133E+03 -0.17520E-01 -0.11391E-01 4900 0.818E-01 0.110E+00 RMM: 3 -0.337355349517E+03 0.83026E-02 -0.13015E-02 5564 0.242E-01 0.186E-01 RMM: 4 -0.337355216047E+03 0.13347E-03 -0.11018E-03 4758 0.742E-02 0.186E-01 RMM: 5 -0.337355013508E+03 0.20254E-03 -0.20217E-04 3886 0.363E-02 0.961E-02 RMM: 6 -0.337354956286E+03 0.57223E-04 -0.53739E-05 3251 0.215E-02 0.370E-02 RMM: 7 -0.337354963557E+03 -0.72717E-05 -0.21497E-05 2540 0.139E-02 9604 T= 4613. E= 0.65827520E+03 F= 0.62011268E+03 E0= 0.64869790E+03 EK= 0.38163E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337652279849E+03 -0.29732E+00 -0.13437E-01 8640 0.202E+01 0.166E-01 RMM: 2 -0.337659938778E+03 -0.76589E-02 -0.63692E-02 5160 0.576E-01 0.601E-01 RMM: 3 -0.337657312253E+03 0.26265E-02 -0.60593E-03 5773 0.153E-01 0.127E-01 RMM: 4 -0.337657260324E+03 0.51929E-04 -0.45934E-04 4339 0.489E-02 0.149E-01 RMM: 5 -0.337657112203E+03 0.14812E-03 -0.98670E-05 3684 0.281E-02 0.534E-02 RMM: 6 -0.337657097627E+03 0.14577E-04 -0.21623E-05 2601 0.141E-02 9605 T= 4551. E= 0.65738762E+03 F= 0.61973773E+03 E0= 0.64831979E+03 EK= 0.37650E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338012853386E+03 -0.35574E+00 -0.13822E-01 8880 0.207E+01 0.165E-01 RMM: 2 -0.338023923527E+03 -0.11070E-01 -0.65825E-02 5249 0.559E-01 0.881E-01 RMM: 3 -0.338018080339E+03 0.58432E-02 -0.59846E-03 5437 0.167E-01 0.163E-01 RMM: 4 -0.338017905942E+03 0.17440E-03 -0.56772E-04 4461 0.482E-02 0.780E-02 RMM: 5 -0.338017863571E+03 0.42371E-04 -0.68233E-05 3532 0.226E-02 0.624E-02 RMM: 6 -0.338017847358E+03 0.16213E-04 -0.24291E-05 2591 0.150E-02 9606 T= 4971. E= 0.66043353E+03 F= 0.61930769E+03 E0= 0.64788285E+03 EK= 0.41126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338375229268E+03 -0.35737E+00 -0.16172E-01 8952 0.221E+01 0.346E-01 RMM: 2 -0.338412329364E+03 -0.37100E-01 -0.99087E-02 5210 0.743E-01 0.209E+00 RMM: 3 -0.338382225725E+03 0.30104E-01 -0.14843E-02 5365 0.299E-01 0.315E-01 RMM: 4 -0.338381486375E+03 0.73935E-03 -0.17126E-03 4765 0.830E-02 0.932E-02 RMM: 5 -0.338381434495E+03 0.51881E-04 -0.17319E-04 3969 0.320E-02 0.837E-02 RMM: 6 -0.338381399603E+03 0.34891E-04 -0.34607E-05 2643 0.184E-02 0.584E-02 RMM: 7 -0.338381426282E+03 -0.26679E-04 -0.43169E-05 3036 0.189E-02 0.961E-02 RMM: 8 -0.338381360431E+03 0.65851E-04 -0.46007E-05 3041 0.195E-02 0.327E-02 RMM: 9 -0.338381362756E+03 -0.23251E-05 -0.21399E-05 2538 0.127E-02 9607 T= 5862. E= 0.66737595E+03 F= 0.61888112E+03 E0= 0.64744566E+03 EK= 0.48495E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338612779881E+03 -0.23142E+00 -0.19389E-01 8964 0.242E+01 0.273E-01 RMM: 2 -0.338637665057E+03 -0.24885E-01 -0.12595E-01 5255 0.808E-01 0.142E+00 RMM: 3 -0.338623188973E+03 0.14476E-01 -0.12972E-02 5423 0.250E-01 0.271E-01 RMM: 4 -0.338622806791E+03 0.38218E-03 -0.16857E-03 4755 0.915E-02 0.189E-01 RMM: 5 -0.338622596846E+03 0.20995E-03 -0.32053E-04 3967 0.483E-02 0.103E-01 RMM: 6 -0.338622523306E+03 0.73540E-04 -0.69958E-05 3532 0.231E-02 0.480E-02 RMM: 7 -0.338622522075E+03 0.12311E-05 -0.38345E-05 2775 0.189E-02 9608 T= 7091. E= 0.67724639E+03 F= 0.61858421E+03 E0= 0.64713348E+03 EK= 0.58662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338555129997E+03 0.67393E-01 -0.23434E-01 9000 0.262E+01 0.218E-01 RMM: 2 -0.338577390134E+03 -0.22260E-01 -0.16522E-01 5307 0.936E-01 0.108E+00 RMM: 3 -0.338569289402E+03 0.81007E-02 -0.15262E-02 5869 0.235E-01 0.227E-01 RMM: 4 -0.338568714776E+03 0.57463E-03 -0.89480E-04 4787 0.668E-02 0.130E-01 RMM: 5 -0.338568600113E+03 0.11466E-03 -0.14157E-04 3891 0.314E-02 0.999E-02 RMM: 6 -0.338568577769E+03 0.22344E-04 -0.32662E-05 2575 0.167E-02 0.963E-02 RMM: 7 -0.338568501676E+03 0.76093E-04 -0.95413E-05 3885 0.260E-02 0.833E-02 RMM: 8 -0.338568452390E+03 0.49286E-04 -0.57313E-05 3303 0.212E-02 0.462E-02 RMM: 9 -0.338568443606E+03 0.87838E-05 -0.56271E-05 3132 0.197E-02 9609 T= 8224. E= 0.68662007E+03 F= 0.61858905E+03 E0= 0.64712123E+03 EK= 0.68031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338070379378E+03 0.49807E+00 -0.27183E-01 8784 0.273E+01 0.223E-01 RMM: 2 -0.338091853283E+03 -0.21474E-01 -0.18823E-01 5180 0.981E-01 0.833E-01 RMM: 3 -0.338086338669E+03 0.55146E-02 -0.17108E-02 6058 0.235E-01 0.155E-01 RMM: 4 -0.338086020899E+03 0.31777E-03 -0.96214E-04 4784 0.772E-02 0.202E-01 RMM: 5 -0.338085746895E+03 0.27400E-03 -0.22083E-04 3896 0.401E-02 0.676E-02 RMM: 6 -0.338085733057E+03 0.13838E-04 -0.41687E-05 3052 0.185E-02 9610 T= 8608. E= 0.69023865E+03 F= 0.61902699E+03 E0= 0.64754164E+03 EK= 0.71212E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337183278466E+03 0.90247E+00 -0.28021E-01 8856 0.269E+01 0.190E-01 RMM: 2 -0.337205550562E+03 -0.22272E-01 -0.18149E-01 5391 0.931E-01 0.883E-01 RMM: 3 -0.337198686150E+03 0.68644E-02 -0.14890E-02 5632 0.254E-01 0.157E-01 RMM: 4 -0.337198455924E+03 0.23023E-03 -0.81662E-04 4924 0.617E-02 0.121E-01 RMM: 5 -0.337198369135E+03 0.86789E-04 -0.12435E-04 3919 0.324E-02 0.827E-02 RMM: 6 -0.337198359030E+03 0.10105E-04 -0.57273E-05 3239 0.212E-02 9611 T= 7973. E= 0.68583348E+03 F= 0.61987150E+03 E0= 0.64837618E+03 EK= 0.65962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336092084350E+03 0.11063E+01 -0.25143E-01 8844 0.251E+01 0.353E-01 RMM: 2 -0.336131677204E+03 -0.39593E-01 -0.18235E-01 5046 0.975E-01 0.185E+00 RMM: 3 -0.336106877963E+03 0.24799E-01 -0.21930E-02 5382 0.347E-01 0.352E-01 RMM: 4 -0.336106036245E+03 0.84172E-03 -0.22063E-03 5225 0.977E-02 0.118E-01 RMM: 5 -0.336106016544E+03 0.19701E-04 -0.25652E-04 3957 0.365E-02 0.127E-01 RMM: 6 -0.336105918022E+03 0.98523E-04 -0.64207E-05 3384 0.235E-02 0.551E-02 RMM: 7 -0.336105925339E+03 -0.73172E-05 -0.26859E-05 2586 0.152E-02 9612 T= 6763. E= 0.67686801E+03 F= 0.62092091E+03 E0= 0.64942348E+03 EK= 0.55947E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335049127822E+03 0.10568E+01 -0.22111E-01 8568 0.230E+01 0.476E-01 RMM: 2 -0.335108042359E+03 -0.58915E-01 -0.21124E-01 5024 0.112E+00 0.248E+00 RMM: 3 -0.335065495477E+03 0.42547E-01 -0.29816E-02 5396 0.414E-01 0.475E-01 RMM: 4 -0.335064005509E+03 0.14900E-02 -0.35196E-03 5341 0.126E-01 0.192E-01 RMM: 5 -0.335063953236E+03 0.52273E-04 -0.55249E-04 4421 0.561E-02 0.189E-01 RMM: 6 -0.335063712804E+03 0.24043E-03 -0.16161E-04 3880 0.341E-02 0.575E-02 RMM: 7 -0.335063709082E+03 0.37217E-05 -0.29284E-05 2707 0.159E-02 9613 T= 5615. E= 0.66837047E+03 F= 0.62191895E+03 E0= 0.65042669E+03 EK= 0.46452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334250743184E+03 0.81297E+00 -0.16986E-01 8376 0.212E+01 0.298E-01 RMM: 2 -0.334277624865E+03 -0.26882E-01 -0.14627E-01 5182 0.909E-01 0.147E+00 RMM: 3 -0.334262883499E+03 0.14741E-01 -0.15999E-02 5466 0.276E-01 0.249E-01 RMM: 4 -0.334262651579E+03 0.23192E-03 -0.16574E-03 4858 0.895E-02 0.222E-01 RMM: 5 -0.334262331445E+03 0.32013E-03 -0.29927E-04 3930 0.451E-02 0.106E-01 RMM: 6 -0.334262266007E+03 0.65438E-04 -0.64734E-05 3423 0.230E-02 0.533E-02 RMM: 7 -0.334262260950E+03 0.50573E-05 -0.25649E-05 2565 0.148E-02 9614 T= 4876. E= 0.66301224E+03 F= 0.62267546E+03 E0= 0.65119449E+03 EK= 0.40337E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333782813010E+03 0.47945E+00 -0.13810E-01 8208 0.203E+01 0.213E-01 RMM: 2 -0.333798021062E+03 -0.15208E-01 -0.10745E-01 4997 0.764E-01 0.927E-01 RMM: 3 -0.333792020397E+03 0.60007E-02 -0.11949E-02 5667 0.215E-01 0.191E-01 RMM: 4 -0.333791769316E+03 0.25108E-03 -0.86827E-04 4692 0.662E-02 0.148E-01 RMM: 5 -0.333791660212E+03 0.10910E-03 -0.17032E-04 3880 0.350E-02 0.949E-02 RMM: 6 -0.333791601291E+03 0.58921E-04 -0.44889E-05 3118 0.201E-02 0.340E-02 RMM: 7 -0.333791600174E+03 0.11175E-05 -0.14414E-05 2496 0.119E-02 9615 T= 4630. E= 0.66140771E+03 F= 0.62310198E+03 E0= 0.65163624E+03 EK= 0.38306E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333653765324E+03 0.13784E+00 -0.13681E-01 8136 0.204E+01 0.151E-01 RMM: 2 -0.333663808480E+03 -0.10043E-01 -0.80096E-02 4966 0.657E-01 0.661E-01 RMM: 3 -0.333660638651E+03 0.31698E-02 -0.84962E-03 5765 0.173E-01 0.126E-01 RMM: 4 -0.333660493451E+03 0.14520E-03 -0.48640E-04 4433 0.514E-02 0.113E-01 RMM: 5 -0.333660420180E+03 0.73271E-04 -0.86830E-05 3573 0.264E-02 0.652E-02 RMM: 6 -0.333660394327E+03 0.25853E-04 -0.23974E-05 2583 0.149E-02 0.271E-02 RMM: 7 -0.333660395579E+03 -0.12526E-05 -0.12062E-05 2475 0.109E-02 9616 T= 4883. E= 0.66358632E+03 F= 0.62319181E+03 E0= 0.65174617E+03 EK= 0.40395E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333801969713E+03 -0.14158E+00 -0.14383E-01 8400 0.215E+01 0.139E-01 RMM: 2 -0.333810126248E+03 -0.81565E-02 -0.65508E-02 5103 0.593E-01 0.609E-01 RMM: 3 -0.333807419125E+03 0.27071E-02 -0.64043E-03 5763 0.155E-01 0.120E-01 RMM: 4 -0.333807282303E+03 0.13682E-03 -0.35962E-04 4309 0.424E-02 0.801E-02 RMM: 5 -0.333807247062E+03 0.35241E-04 -0.66039E-05 3461 0.238E-02 0.594E-02 RMM: 6 -0.333807229076E+03 0.17986E-04 -0.23446E-05 2587 0.147E-02 9617 T= 5628. E= 0.66957067E+03 F= 0.62300798E+03 E0= 0.65158703E+03 EK= 0.46563E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334084942906E+03 -0.27770E+00 -0.16901E-01 8232 0.234E+01 0.157E-01 RMM: 2 -0.334096538790E+03 -0.11596E-01 -0.91873E-02 5232 0.709E-01 0.726E-01 RMM: 3 -0.334092846380E+03 0.36924E-02 -0.87482E-03 5875 0.176E-01 0.151E-01 RMM: 4 -0.334092604443E+03 0.24194E-03 -0.46804E-04 4276 0.497E-02 0.104E-01 RMM: 5 -0.334092524219E+03 0.80225E-04 -0.88050E-05 3644 0.267E-02 0.642E-02 RMM: 6 -0.334092517290E+03 0.69290E-05 -0.25310E-05 2557 0.146E-02 9618 T= 6780. E= 0.67877640E+03 F= 0.62269075E+03 E0= 0.65129939E+03 EK= 0.56086E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334282895638E+03 -0.19037E+00 -0.20873E-01 8256 0.255E+01 0.246E-01 RMM: 2 -0.334306218657E+03 -0.23323E-01 -0.13777E-01 5274 0.886E-01 0.130E+00 RMM: 3 -0.334294472885E+03 0.11746E-01 -0.13437E-02 5543 0.244E-01 0.244E-01 RMM: 4 -0.334294008347E+03 0.46454E-03 -0.11951E-03 4714 0.758E-02 0.129E-01 RMM: 5 -0.334293885933E+03 0.12241E-03 -0.19146E-04 3873 0.360E-02 0.903E-02 RMM: 6 -0.334293857104E+03 0.28830E-04 -0.38528E-05 2875 0.184E-02 0.786E-02 RMM: 7 -0.334293833628E+03 0.23476E-04 -0.52902E-05 3224 0.218E-02 0.807E-02 RMM: 8 -0.334293782062E+03 0.51566E-04 -0.35484E-05 2705 0.170E-02 0.415E-02 RMM: 9 -0.334293783908E+03 -0.18458E-05 -0.42466E-05 2917 0.179E-02 9619 T= 7985. E= 0.68851697E+03 F= 0.62246216E+03 E0= 0.65110864E+03 EK= 0.66055E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334147248297E+03 0.14653E+00 -0.24055E-01 8016 0.270E+01 0.320E-01 RMM: 2 -0.334170131157E+03 -0.22883E-01 -0.18982E-01 5217 0.105E+00 0.104E+00 RMM: 3 -0.334162956224E+03 0.71749E-02 -0.19862E-02 5849 0.267E-01 0.284E-01 RMM: 4 -0.334162477315E+03 0.47891E-03 -0.17887E-03 4852 0.103E-01 0.274E-01 RMM: 5 -0.334161953436E+03 0.52388E-03 -0.50894E-04 4506 0.604E-02 0.933E-02 RMM: 6 -0.334161915855E+03 0.37581E-04 -0.78025E-05 3564 0.227E-02 0.676E-02 RMM: 7 -0.334161896656E+03 0.19199E-04 -0.40479E-05 2894 0.192E-02 9620 T= 8601. E= 0.69372682E+03 F= 0.62257030E+03 E0= 0.65125753E+03 EK= 0.71157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333551303661E+03 0.61061E+00 -0.24927E-01 8040 0.270E+01 0.162E-01 RMM: 2 -0.333571801589E+03 -0.20498E-01 -0.19016E-01 5045 0.988E-01 0.655E-01 RMM: 3 -0.333567921811E+03 0.38798E-02 -0.18380E-02 6225 0.247E-01 0.162E-01 RMM: 4 -0.333567475158E+03 0.44665E-03 -0.71244E-04 4718 0.639E-02 0.108E-01 RMM: 5 -0.333567391261E+03 0.83898E-04 -0.10002E-04 3708 0.289E-02 0.834E-02 RMM: 6 -0.333567389338E+03 0.19222E-05 -0.41584E-05 3000 0.185E-02 9621 T= 8195. E= 0.69094141E+03 F= 0.62314325E+03 E0= 0.65187222E+03 EK= 0.67798E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332577758761E+03 0.98963E+00 -0.23757E-01 7980 0.255E+01 0.246E-01 RMM: 2 -0.332606023666E+03 -0.28265E-01 -0.18488E-01 4928 0.991E-01 0.130E+00 RMM: 3 -0.332593448226E+03 0.12575E-01 -0.19833E-02 5587 0.298E-01 0.234E-01 RMM: 4 -0.332592989311E+03 0.45892E-03 -0.13539E-03 4946 0.791E-02 0.119E-01 RMM: 5 -0.332592914965E+03 0.74345E-04 -0.16740E-04 4276 0.322E-02 0.872E-02 RMM: 6 -0.332592879196E+03 0.35769E-04 -0.37728E-05 2890 0.186E-02 0.606E-02 RMM: 7 -0.332592899957E+03 -0.20761E-04 -0.56525E-05 3340 0.210E-02 0.896E-02 RMM: 8 -0.332592851028E+03 0.48929E-04 -0.78464E-05 3816 0.215E-02 0.384E-02 RMM: 9 -0.332592848591E+03 0.24366E-05 -0.17895E-05 2550 0.123E-02 9622 T= 7052. E= 0.68244041E+03 F= 0.62409730E+03 E0= 0.65286802E+03 EK= 0.58343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331451784534E+03 0.11411E+01 -0.20286E-01 8496 0.234E+01 0.280E-01 RMM: 2 -0.331480195778E+03 -0.28411E-01 -0.17535E-01 4888 0.975E-01 0.138E+00 RMM: 3 -0.331466390307E+03 0.13805E-01 -0.19301E-02 5569 0.299E-01 0.243E-01 RMM: 4 -0.331466105908E+03 0.28440E-03 -0.16796E-03 5117 0.914E-02 0.203E-01 RMM: 5 -0.331465907920E+03 0.19799E-03 -0.29620E-04 3963 0.437E-02 0.125E-01 RMM: 6 -0.331465813743E+03 0.94177E-04 -0.82052E-05 3581 0.257E-02 0.492E-02 RMM: 7 -0.331465834199E+03 -0.20456E-04 -0.46137E-05 3098 0.193E-02 0.758E-02 RMM: 8 -0.331465801535E+03 0.32664E-04 -0.33743E-05 2766 0.182E-02 0.263E-02 RMM: 9 -0.331465809716E+03 -0.81811E-05 -0.16181E-05 2500 0.112E-02 9623 T= 5829. E= 0.67342549E+03 F= 0.62520445E+03 E0= 0.65400925E+03 EK= 0.48221E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330392670796E+03 0.10731E+01 -0.18107E-01 7980 0.214E+01 0.258E-01 RMM: 2 -0.330415586426E+03 -0.22916E-01 -0.17744E-01 4913 0.102E+00 0.106E+00 RMM: 3 -0.330407989924E+03 0.75965E-02 -0.19935E-02 5856 0.281E-01 0.240E-01 RMM: 4 -0.330407599911E+03 0.39001E-03 -0.14075E-03 5076 0.887E-02 0.218E-01 RMM: 5 -0.330407280437E+03 0.31947E-03 -0.28812E-04 3954 0.445E-02 0.925E-02 RMM: 6 -0.330407231543E+03 0.48895E-04 -0.52285E-05 3246 0.204E-02 0.478E-02 RMM: 7 -0.330407224327E+03 0.72152E-05 -0.26343E-05 2546 0.153E-02 9624 T= 4957. E= 0.66725353E+03 F= 0.62624398E+03 E0= 0.65507783E+03 EK= 0.41010E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329544763052E+03 0.86247E+00 -0.14744E-01 8268 0.202E+01 0.163E-01 RMM: 2 -0.329558800936E+03 -0.14038E-01 -0.11151E-01 5017 0.780E-01 0.782E-01 RMM: 3 -0.329554490293E+03 0.43106E-02 -0.11564E-02 5937 0.209E-01 0.164E-01 RMM: 4 -0.329554189979E+03 0.30031E-03 -0.58974E-04 4627 0.563E-02 0.108E-01 RMM: 5 -0.329554111050E+03 0.78929E-04 -0.10111E-04 3690 0.293E-02 0.691E-02 RMM: 6 -0.329554095278E+03 0.15773E-04 -0.25409E-05 2550 0.146E-02 9625 T= 4569. E= 0.66488018E+03 F= 0.62707973E+03 E0= 0.65593630E+03 EK= 0.37800E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328952239870E+03 0.60187E+00 -0.13588E-01 8304 0.200E+01 0.168E-01 RMM: 2 -0.328964622196E+03 -0.12382E-01 -0.87563E-02 5037 0.667E-01 0.811E-01 RMM: 3 -0.328959563844E+03 0.50584E-02 -0.87669E-03 5519 0.198E-01 0.173E-01 RMM: 4 -0.328959355126E+03 0.20872E-03 -0.66289E-04 4757 0.534E-02 0.846E-02 RMM: 5 -0.328959316747E+03 0.38379E-04 -0.85573E-05 3637 0.255E-02 0.629E-02 RMM: 6 -0.328959296735E+03 0.20011E-04 -0.21780E-05 2553 0.142E-02 0.403E-02 RMM: 7 -0.328959300534E+03 -0.37992E-05 -0.14691E-05 2488 0.120E-02 9626 T= 4680. E= 0.66637842E+03 F= 0.62765981E+03 E0= 0.65653314E+03 EK= 0.38719E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328601116364E+03 0.35818E+00 -0.14178E-01 8724 0.209E+01 0.261E-01 RMM: 2 -0.328618997604E+03 -0.17881E-01 -0.74575E-02 5104 0.636E-01 0.134E+00 RMM: 3 -0.328606645966E+03 0.12352E-01 -0.92453E-03 5463 0.221E-01 0.241E-01 RMM: 4 -0.328606269325E+03 0.37664E-03 -0.10396E-03 4653 0.685E-02 0.112E-01 RMM: 5 -0.328606270533E+03 -0.12081E-05 -0.18449E-04 3878 0.338E-02 9627 T= 5299. E= 0.67184222E+03 F= 0.62800134E+03 E0= 0.65688809E+03 EK= 0.43841E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328403534563E+03 0.20273E+00 -0.17945E-01 8568 0.228E+01 0.218E-01 RMM: 2 -0.328424959224E+03 -0.21425E-01 -0.11931E-01 5095 0.792E-01 0.128E+00 RMM: 3 -0.328413526014E+03 0.11433E-01 -0.12691E-02 5573 0.237E-01 0.175E-01 RMM: 4 -0.328413281014E+03 0.24500E-03 -0.97101E-04 4898 0.633E-02 0.123E-01 RMM: 5 -0.328413168748E+03 0.11227E-03 -0.13202E-04 3855 0.315E-02 0.659E-02 RMM: 6 -0.328413153542E+03 0.15205E-04 -0.26386E-05 2551 0.147E-02 9628 T= 6398. E= 0.68111135E+03 F= 0.62818625E+03 E0= 0.65708122E+03 EK= 0.52925E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328215241922E+03 0.19793E+00 -0.21984E-01 8856 0.251E+01 0.220E-01 RMM: 2 -0.328234613909E+03 -0.19372E-01 -0.14485E-01 5250 0.876E-01 0.990E-01 RMM: 3 -0.328227780496E+03 0.68334E-02 -0.14549E-02 5682 0.243E-01 0.221E-01 RMM: 4 -0.328227408156E+03 0.37234E-03 -0.10428E-03 4743 0.696E-02 0.141E-01 RMM: 5 -0.328227250295E+03 0.15786E-03 -0.17004E-04 3875 0.334E-02 0.822E-02 RMM: 6 -0.328227227537E+03 0.22758E-04 -0.31515E-05 2622 0.167E-02 0.701E-02 RMM: 7 -0.328227194425E+03 0.33112E-04 -0.48062E-05 2945 0.202E-02 0.681E-02 RMM: 8 -0.328227162339E+03 0.32085E-04 -0.34476E-05 2651 0.162E-02 0.432E-02 RMM: 9 -0.328227161727E+03 0.61216E-06 -0.43694E-05 2877 0.182E-02 9629 T= 7730. E= 0.69231292E+03 F= 0.62836695E+03 E0= 0.65726660E+03 EK= 0.63946E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327841956221E+03 0.38521E+00 -0.26207E-01 8940 0.271E+01 0.397E-01 RMM: 2 -0.327874720665E+03 -0.32764E-01 -0.21067E-01 5316 0.109E+00 0.156E+00 RMM: 3 -0.327858415803E+03 0.16305E-01 -0.21833E-02 5662 0.305E-01 0.331E-01 RMM: 4 -0.327857981576E+03 0.43423E-03 -0.26623E-03 5213 0.121E-01 0.317E-01 RMM: 5 -0.327857331602E+03 0.64997E-03 -0.63906E-04 4587 0.667E-02 0.136E-01 RMM: 6 -0.327857224318E+03 0.10728E-03 -0.12453E-04 3861 0.287E-02 0.581E-02 RMM: 7 -0.327857225624E+03 -0.13058E-05 -0.42840E-05 3053 0.191E-02 9630 T= 8680. E= 0.70054114E+03 F= 0.62873409E+03 E0= 0.65762949E+03 EK= 0.71807E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327164670316E+03 0.69255E+00 -0.27766E-01 9072 0.278E+01 0.211E-01 RMM: 2 -0.327189535644E+03 -0.24865E-01 -0.19369E-01 5473 0.949E-01 0.104E+00 RMM: 3 -0.327180804315E+03 0.87313E-02 -0.14264E-02 5953 0.232E-01 0.228E-01 RMM: 4 -0.327180288688E+03 0.51563E-03 -0.93313E-04 4755 0.672E-02 0.126E-01 RMM: 5 -0.327180167706E+03 0.12098E-03 -0.14404E-04 3879 0.315E-02 0.922E-02 RMM: 6 -0.327180144463E+03 0.23242E-04 -0.32422E-05 2687 0.169E-02 0.857E-02 RMM: 7 -0.327180100279E+03 0.44185E-04 -0.81037E-05 3845 0.236E-02 0.868E-02 RMM: 8 -0.327180042359E+03 0.57919E-04 -0.68964E-05 3643 0.219E-02 0.424E-02 RMM: 9 -0.327180043643E+03 -0.12833E-05 -0.43185E-05 2897 0.177E-02 9631 T= 8605. E= 0.70059610E+03 F= 0.62941060E+03 E0= 0.65829691E+03 EK= 0.71185E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.326231829670E+03 0.94821E+00 -0.26909E-01 8844 0.267E+01 0.204E-01 RMM: 2 -0.326253569708E+03 -0.21740E-01 -0.19021E-01 5318 0.919E-01 0.790E-01 RMM: 3 -0.326247119401E+03 0.64503E-02 -0.13934E-02 5943 0.235E-01 0.153E-01 RMM: 4 -0.326246970794E+03 0.14861E-03 -0.91635E-04 4795 0.690E-02 0.173E-01 RMM: 5 -0.326246792642E+03 0.17815E-03 -0.16244E-04 3878 0.332E-02 0.864E-02 RMM: 6 -0.326246748752E+03 0.43890E-04 -0.36469E-05 2970 0.187E-02 0.382E-02 RMM: 7 -0.326246749669E+03 -0.91715E-06 -0.16782E-05 2504 0.125E-02 9632 T= 7556. E= 0.69285685E+03 F= 0.63034538E+03 E0= 0.65921930E+03 EK= 0.62511E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325243307775E+03 0.10034E+01 -0.22906E-01 8892 0.246E+01 0.187E-01 RMM: 2 -0.325262244676E+03 -0.18937E-01 -0.16771E-01 5603 0.861E-01 0.717E-01 RMM: 3 -0.325256743874E+03 0.55008E-02 -0.10510E-02 5985 0.204E-01 0.163E-01 RMM: 4 -0.325256547560E+03 0.19631E-03 -0.71507E-04 4748 0.593E-02 0.149E-01 RMM: 5 -0.325256403159E+03 0.14440E-03 -0.12444E-04 3863 0.302E-02 0.773E-02 RMM: 6 -0.325256381574E+03 0.21585E-04 -0.24134E-05 2589 0.148E-02 0.589E-02 RMM: 7 -0.325256373681E+03 0.78931E-05 -0.42604E-05 2867 0.181E-02 9633 T= 6216. E= 0.68276362E+03 F= 0.63133973E+03 E0= 0.66020359E+03 EK= 0.51424E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324410623527E+03 0.84576E+00 -0.19043E-01 9048 0.224E+01 0.193E-01 RMM: 2 -0.324428829180E+03 -0.18206E-01 -0.15510E-01 5423 0.867E-01 0.777E-01 RMM: 3 -0.324423682593E+03 0.51466E-02 -0.12179E-02 5988 0.207E-01 0.167E-01 RMM: 4 -0.324423391261E+03 0.29133E-03 -0.73367E-04 4689 0.634E-02 0.163E-01 RMM: 5 -0.324423219332E+03 0.17193E-03 -0.15911E-04 3881 0.342E-02 0.732E-02 RMM: 6 -0.324423201470E+03 0.17862E-04 -0.29455E-05 2754 0.163E-02 9634 T= 5162. E= 0.67488257E+03 F= 0.63217991E+03 E0= 0.66103789E+03 EK= 0.42703E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323875656054E+03 0.54756E+00 -0.15288E-01 8604 0.208E+01 0.185E-01 RMM: 2 -0.323893388319E+03 -0.17732E-01 -0.13064E-01 5315 0.796E-01 0.934E-01 RMM: 3 -0.323886831921E+03 0.65564E-02 -0.11314E-02 5765 0.209E-01 0.194E-01 RMM: 4 -0.323886474085E+03 0.35784E-03 -0.71130E-04 4819 0.564E-02 0.117E-01 RMM: 5 -0.323886386775E+03 0.87310E-04 -0.89923E-05 3768 0.263E-02 0.824E-02 RMM: 6 -0.323886373610E+03 0.13166E-04 -0.25076E-05 2553 0.146E-02 9635 T= 4603. E= 0.67080720E+03 F= 0.63272721E+03 E0= 0.66158533E+03 EK= 0.38080E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323696358863E+03 0.19003E+00 -0.12786E-01 8592 0.202E+01 0.334E-01 RMM: 2 -0.323731802632E+03 -0.35444E-01 -0.93937E-02 5180 0.709E-01 0.203E+00 RMM: 3 -0.323703181704E+03 0.28621E-01 -0.14019E-02 5371 0.288E-01 0.309E-01 RMM: 4 -0.323702481945E+03 0.69976E-03 -0.16488E-03 4789 0.837E-02 0.811E-02 RMM: 5 -0.323702474466E+03 0.74798E-05 -0.17901E-04 3973 0.303E-02 9636 T= 4562. E= 0.67066846E+03 F= 0.63292504E+03 E0= 0.66178763E+03 EK= 0.37743E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323859421458E+03 -0.15694E+00 -0.12556E-01 8232 0.207E+01 0.219E-01 RMM: 2 -0.323877770001E+03 -0.18349E-01 -0.76134E-02 5162 0.611E-01 0.130E+00 RMM: 3 -0.323865647325E+03 0.12123E-01 -0.88475E-03 5427 0.211E-01 0.235E-01 RMM: 4 -0.323865260727E+03 0.38660E-03 -0.99960E-04 4682 0.655E-02 0.922E-02 RMM: 5 -0.323865215665E+03 0.45062E-04 -0.11321E-04 3915 0.262E-02 0.707E-02 RMM: 6 -0.323865189085E+03 0.26580E-04 -0.19471E-05 2549 0.131E-02 0.499E-02 RMM: 7 -0.323865193926E+03 -0.48414E-05 -0.27118E-05 2625 0.154E-02 9637 T= 5040. E= 0.67447287E+03 F= 0.63277895E+03 E0= 0.66165330E+03 EK= 0.41694E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324300649230E+03 -0.43546E+00 -0.14563E-01 8040 0.222E+01 0.260E-01 RMM: 2 -0.324318402846E+03 -0.17754E-01 -0.96181E-02 4931 0.744E-01 0.122E+00 RMM: 3 -0.324308275323E+03 0.10128E-01 -0.11486E-02 5503 0.232E-01 0.222E-01 RMM: 4 -0.324308004762E+03 0.27056E-03 -0.11277E-03 4713 0.728E-02 0.154E-01 RMM: 5 -0.324307889181E+03 0.11558E-03 -0.22003E-04 3878 0.381E-02 0.101E-01 RMM: 6 -0.324307822994E+03 0.66186E-04 -0.61929E-05 3387 0.230E-02 0.312E-02 RMM: 7 -0.324307827715E+03 -0.47208E-05 -0.17865E-05 2523 0.128E-02 9638 T= 6026. E= 0.68220583E+03 F= 0.63235464E+03 E0= 0.66124748E+03 EK= 0.49851E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324876667606E+03 -0.56884E+00 -0.16856E-01 8244 0.244E+01 0.225E-01 RMM: 2 -0.324892142750E+03 -0.15475E-01 -0.10777E-01 5191 0.796E-01 0.996E-01 RMM: 3 -0.324885661620E+03 0.64811E-02 -0.10945E-02 5713 0.206E-01 0.186E-01 RMM: 4 -0.324885425061E+03 0.23656E-03 -0.89970E-04 4639 0.704E-02 0.175E-01 RMM: 5 -0.324885201121E+03 0.22394E-03 -0.19421E-04 3880 0.367E-02 0.773E-02 RMM: 6 -0.324885166779E+03 0.34342E-04 -0.35408E-05 2900 0.174E-02 0.484E-02 RMM: 7 -0.324885146374E+03 0.20405E-04 -0.27875E-05 2525 0.152E-02 0.520E-02 RMM: 8 -0.324885119806E+03 0.26568E-04 -0.24656E-05 2513 0.137E-02 0.264E-02 RMM: 9 -0.324885120043E+03 -0.23757E-06 -0.21058E-05 2528 0.121E-02 9639 T= 7357. E= 0.69265700E+03 F= 0.63179651E+03 E0= 0.66071340E+03 EK= 0.60860E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325361644998E+03 -0.47653E+00 -0.20987E-01 7812 0.265E+01 0.259E-01 RMM: 2 -0.325381019635E+03 -0.19375E-01 -0.16581E-01 5057 0.993E-01 0.900E-01 RMM: 3 -0.325375932022E+03 0.50876E-02 -0.18009E-02 5873 0.247E-01 0.212E-01 RMM: 4 -0.325375636337E+03 0.29569E-03 -0.12499E-03 4866 0.860E-02 0.245E-01 RMM: 5 -0.325375214219E+03 0.42212E-03 -0.31273E-04 3946 0.461E-02 0.783E-02 RMM: 6 -0.325375181468E+03 0.32751E-04 -0.57698E-05 3323 0.207E-02 0.523E-02 RMM: 7 -0.325375162652E+03 0.18816E-04 -0.27422E-05 2527 0.160E-02 9640 T= 8507. E= 0.70170459E+03 F= 0.63132629E+03 E0= 0.66026982E+03 EK= 0.70378E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325553620756E+03 -0.17844E+00 -0.22416E-01 8232 0.275E+01 0.230E-01 RMM: 2 -0.325571563278E+03 -0.17943E-01 -0.14240E-01 5228 0.918E-01 0.953E-01 RMM: 3 -0.325565866297E+03 0.56970E-02 -0.14246E-02 5842 0.226E-01 0.211E-01 RMM: 4 -0.325565423214E+03 0.44308E-03 -0.92106E-04 4680 0.711E-02 0.156E-01 RMM: 5 -0.325565229333E+03 0.19388E-03 -0.18645E-04 3888 0.365E-02 0.820E-02 RMM: 6 -0.325565203396E+03 0.25937E-04 -0.33667E-05 2741 0.168E-02 0.698E-02 RMM: 7 -0.325565157274E+03 0.46122E-04 -0.69866E-05 3721 0.225E-02 0.670E-02 RMM: 8 -0.325565116957E+03 0.40317E-04 -0.49130E-05 3030 0.194E-02 0.370E-02 RMM: 9 -0.325565125640E+03 -0.86836E-05 -0.40265E-05 2662 0.174E-02 9641 T= 8755. E= 0.70358780E+03 F= 0.63115737E+03 E0= 0.66012896E+03 EK= 0.72430E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325382276439E+03 0.18284E+00 -0.22353E-01 7920 0.268E+01 0.238E-01 RMM: 2 -0.325397931980E+03 -0.15656E-01 -0.12857E-01 5052 0.846E-01 0.866E-01 RMM: 3 -0.325392775904E+03 0.51561E-02 -0.13584E-02 5866 0.221E-01 0.176E-01 RMM: 4 -0.325392687689E+03 0.88215E-04 -0.97485E-04 4752 0.745E-02 0.224E-01 RMM: 5 -0.325392369774E+03 0.31791E-03 -0.22879E-04 3900 0.396E-02 0.860E-02 RMM: 6 -0.325392325072E+03 0.44702E-04 -0.46741E-05 3159 0.206E-02 0.347E-02 RMM: 7 -0.325392329687E+03 -0.46145E-05 -0.18544E-05 2515 0.127E-02 9642 T= 7914. E= 0.69682056E+03 F= 0.63135365E+03 E0= 0.66034935E+03 EK= 0.65467E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324978254860E+03 0.41407E+00 -0.20334E-01 7932 0.249E+01 0.175E-01 RMM: 2 -0.324991974641E+03 -0.13720E-01 -0.11822E-01 4966 0.819E-01 0.703E-01 RMM: 3 -0.324988507952E+03 0.34667E-02 -0.12884E-02 5951 0.216E-01 0.158E-01 RMM: 4 -0.324988206965E+03 0.30099E-03 -0.59149E-04 4684 0.582E-02 0.119E-01 RMM: 5 -0.324988105103E+03 0.10186E-03 -0.10440E-04 3760 0.299E-02 0.645E-02 RMM: 6 -0.324988094363E+03 0.10740E-04 -0.28192E-05 2580 0.157E-02 9643 T= 6569. E= 0.68613143E+03 F= 0.63178519E+03 E0= 0.66080182E+03 EK= 0.54346E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324556965631E+03 0.43114E+00 -0.17230E-01 8052 0.226E+01 0.213E-01 RMM: 2 -0.324573949305E+03 -0.16984E-01 -0.10537E-01 5259 0.772E-01 0.109E+00 RMM: 3 -0.324565812410E+03 0.81369E-02 -0.10231E-02 5544 0.214E-01 0.215E-01 RMM: 4 -0.324565469322E+03 0.34309E-03 -0.81243E-04 4708 0.612E-02 0.102E-01 RMM: 5 -0.324565395966E+03 0.73356E-04 -0.11791E-04 3871 0.295E-02 0.785E-02 RMM: 6 -0.324565375146E+03 0.20820E-04 -0.30912E-05 2607 0.169E-02 0.655E-02 RMM: 7 -0.324565380541E+03 -0.53950E-05 -0.56682E-05 3369 0.217E-02 9644 T= 5392. E= 0.67684967E+03 F= 0.63224012E+03 E0= 0.66127297E+03 EK= 0.44610E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324287383192E+03 0.27799E+00 -0.15019E-01 8076 0.208E+01 0.233E-01 RMM: 2 -0.324305020450E+03 -0.17637E-01 -0.10088E-01 5131 0.780E-01 0.117E+00 RMM: 3 -0.324295752286E+03 0.92682E-02 -0.11018E-02 5569 0.223E-01 0.253E-01 RMM: 4 -0.324295232469E+03 0.51982E-03 -0.10327E-03 4683 0.735E-02 0.107E-01 RMM: 5 -0.324295164474E+03 0.67995E-04 -0.17193E-04 3884 0.354E-02 0.814E-02 RMM: 6 -0.324295131058E+03 0.33416E-04 -0.35779E-05 2803 0.184E-02 0.525E-02 RMM: 7 -0.324295134869E+03 -0.38115E-05 -0.36008E-05 2724 0.184E-02 9645 T= 4682. E= 0.67128254E+03 F= 0.63254767E+03 E0= 0.66159371E+03 EK= 0.38735E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324258434897E+03 0.36696E-01 -0.13392E-01 8268 0.200E+01 0.167E-01 RMM: 2 -0.324269513270E+03 -0.11078E-01 -0.74023E-02 5251 0.624E-01 0.850E-01 RMM: 3 -0.324264459926E+03 0.50533E-02 -0.71706E-03 5698 0.170E-01 0.136E-01 RMM: 4 -0.324264301856E+03 0.15807E-03 -0.48264E-04 4427 0.467E-02 0.915E-02 RMM: 5 -0.324264240931E+03 0.60925E-04 -0.74819E-05 3601 0.246E-02 0.588E-02 RMM: 6 -0.324264231875E+03 0.90565E-05 -0.26537E-05 2587 0.154E-02 9646 T= 4487. E= 0.66973736E+03 F= 0.63261997E+03 E0= 0.66167698E+03 EK= 0.37117E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324480195713E+03 -0.21595E+00 -0.13700E-01 8772 0.202E+01 0.202E-01 RMM: 2 -0.324493525544E+03 -0.13330E-01 -0.63911E-02 5290 0.556E-01 0.109E+00 RMM: 3 -0.324485081105E+03 0.84444E-02 -0.67125E-03 5431 0.184E-01 0.214E-01 RMM: 4 -0.324484773220E+03 0.30788E-03 -0.72478E-04 4669 0.555E-02 0.645E-02 RMM: 5 -0.324484763718E+03 0.95020E-05 -0.94793E-05 3791 0.235E-02 9647 T= 4801. E= 0.67215614E+03 F= 0.63244298E+03 E0= 0.66150726E+03 EK= 0.39713E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324893878402E+03 -0.40911E+00 -0.16792E-01 8880 0.215E+01 0.226E-01 RMM: 2 -0.324913844984E+03 -0.19967E-01 -0.94385E-02 5237 0.667E-01 0.132E+00 RMM: 3 -0.324901465745E+03 0.12379E-01 -0.97813E-03 5464 0.212E-01 0.209E-01 RMM: 4 -0.324901127139E+03 0.33861E-03 -0.98809E-04 4708 0.658E-02 0.936E-02 RMM: 5 -0.324901087506E+03 0.39633E-04 -0.12775E-04 3950 0.267E-02 0.832E-02 RMM: 6 -0.324901048250E+03 0.39256E-04 -0.26378E-05 2605 0.157E-02 0.485E-02 RMM: 7 -0.324901058216E+03 -0.99661E-05 -0.42303E-05 3052 0.177E-02 9648 T= 5624. E= 0.67859455E+03 F= 0.63207015E+03 E0= 0.66113769E+03 EK= 0.46524E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325366591195E+03 -0.46554E+00 -0.21400E-01 8964 0.236E+01 0.294E-01 RMM: 2 -0.325387364849E+03 -0.20774E-01 -0.13591E-01 5272 0.822E-01 0.121E+00 RMM: 3 -0.325377270885E+03 0.10094E-01 -0.14245E-02 5618 0.246E-01 0.266E-01 RMM: 4 -0.325376977549E+03 0.29334E-03 -0.15358E-03 4729 0.879E-02 0.216E-01 RMM: 5 -0.325376719593E+03 0.25796E-03 -0.32460E-04 3908 0.460E-02 0.120E-01 RMM: 6 -0.325376626585E+03 0.93008E-04 -0.86013E-05 3600 0.266E-02 0.316E-02 RMM: 7 -0.325376631311E+03 -0.47263E-05 -0.20239E-05 2551 0.134E-02 9649 T= 6868. E= 0.68845530E+03 F= 0.63163641E+03 E0= 0.66070136E+03 EK= 0.56819E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325668283592E+03 -0.29166E+00 -0.29392E-01 8952 0.260E+01 0.252E-01 RMM: 2 -0.325692408270E+03 -0.24125E-01 -0.21396E-01 5305 0.103E+00 0.880E-01 RMM: 3 -0.325686649597E+03 0.57587E-02 -0.20216E-02 6053 0.255E-01 0.214E-01 RMM: 4 -0.325686178244E+03 0.47135E-03 -0.12299E-03 4779 0.832E-02 0.237E-01 RMM: 5 -0.325685778707E+03 0.39954E-03 -0.29744E-04 3911 0.441E-02 0.897E-02 RMM: 6 -0.325685740162E+03 0.38545E-04 -0.46847E-05 3125 0.188E-02 0.703E-02 RMM: 7 -0.325685692241E+03 0.47921E-04 -0.49268E-05 2755 0.197E-02 0.616E-02 RMM: 8 -0.325685659914E+03 0.32326E-04 -0.66189E-05 3580 0.201E-02 0.479E-02 RMM: 9 -0.325685657390E+03 0.25242E-05 -0.50700E-05 3067 0.186E-02 9650 T= 8145. E= 0.69875209E+03 F= 0.63136742E+03 E0= 0.66042078E+03 EK= 0.67385E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325560346563E+03 0.12531E+00 -0.34515E-01 8952 0.276E+01 0.275E-01 RMM: 2 -0.325588294071E+03 -0.27948E-01 -0.26042E-01 5260 0.111E+00 0.842E-01 RMM: 3 -0.325582172331E+03 0.61217E-02 -0.23032E-02 6136 0.270E-01 0.209E-01 RMM: 4 -0.325581805554E+03 0.36678E-03 -0.13943E-03 4867 0.899E-02 0.274E-01 RMM: 5 -0.325581289679E+03 0.51588E-03 -0.36340E-04 3997 0.494E-02 0.846E-02 RMM: 6 -0.325581250564E+03 0.39115E-04 -0.59459E-05 3304 0.212E-02 0.527E-02 RMM: 7 -0.325581231826E+03 0.18738E-04 -0.27433E-05 2572 0.153E-02 9651 T= 8747. E= 0.70387269E+03 F= 0.63151124E+03 E0= 0.66054076E+03 EK= 0.72361E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324939390468E+03 0.64186E+00 -0.36038E-01 8988 0.276E+01 0.196E-01 RMM: 2 -0.324965874673E+03 -0.26484E-01 -0.24296E-01 5492 0.101E+00 0.746E-01 RMM: 3 -0.324959628682E+03 0.62460E-02 -0.16466E-02 6382 0.241E-01 0.172E-01 RMM: 4 -0.324959209791E+03 0.41889E-03 -0.85403E-04 4787 0.656E-02 0.137E-01 RMM: 5 -0.324959075776E+03 0.13401E-03 -0.13806E-04 3900 0.314E-02 0.762E-02 RMM: 6 -0.324959068312E+03 0.74641E-05 -0.40668E-05 2987 0.179E-02 9652 T= 8235. E= 0.70029871E+03 F= 0.63217432E+03 E0= 0.66117165E+03 EK= 0.68124E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.323945201999E+03 0.10139E+01 -0.37723E-01 8832 0.261E+01 0.308E-01 RMM: 2 -0.323989179432E+03 -0.43977E-01 -0.27103E-01 5125 0.113E+00 0.168E+00 RMM: 3 -0.323967959707E+03 0.21220E-01 -0.24108E-02 5490 0.341E-01 0.319E-01 RMM: 4 -0.323967200421E+03 0.75929E-03 -0.21064E-03 5309 0.931E-02 0.124E-01 RMM: 5 -0.323967114531E+03 0.85890E-04 -0.23205E-04 4032 0.354E-02 0.100E-01 RMM: 6 -0.323967070660E+03 0.43870E-04 -0.53265E-05 3229 0.208E-02 0.709E-02 RMM: 7 -0.323967106232E+03 -0.35572E-04 -0.76663E-05 3602 0.228E-02 0.108E-01 RMM: 8 -0.323967035168E+03 0.71064E-04 -0.73825E-05 3622 0.219E-02 0.427E-02 RMM: 9 -0.323967034021E+03 0.11479E-05 -0.25052E-05 2610 0.138E-02 9653 T= 6982. E= 0.69097398E+03 F= 0.63321125E+03 E0= 0.66217074E+03 EK= 0.57763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322899033550E+03 0.10680E+01 -0.33132E-01 9000 0.239E+01 0.332E-01 RMM: 2 -0.322939953160E+03 -0.40920E-01 -0.24709E-01 5405 0.108E+00 0.167E+00 RMM: 3 -0.322919189443E+03 0.20764E-01 -0.21033E-02 5486 0.311E-01 0.334E-01 RMM: 4 -0.322918470533E+03 0.71891E-03 -0.22622E-03 4979 0.102E-01 0.189E-01 RMM: 5 -0.322918244442E+03 0.22609E-03 -0.34054E-04 3992 0.470E-02 0.121E-01 RMM: 6 -0.322918170614E+03 0.73828E-04 -0.84119E-05 3676 0.248E-02 0.736E-02 RMM: 7 -0.322918174685E+03 -0.40714E-05 -0.84725E-05 3791 0.244E-02 9654 T= 5711. E= 0.68155989E+03 F= 0.63431095E+03 E0= 0.66323187E+03 EK= 0.47249E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322099851910E+03 0.81832E+00 -0.25596E-01 8856 0.218E+01 0.239E-01 RMM: 2 -0.322127417361E+03 -0.27565E-01 -0.20725E-01 5376 0.104E+00 0.115E+00 RMM: 3 -0.322117666648E+03 0.97507E-02 -0.17942E-02 5779 0.261E-01 0.265E-01 RMM: 4 -0.322117016553E+03 0.65010E-03 -0.11555E-03 4819 0.732E-02 0.145E-01 RMM: 5 -0.322116887523E+03 0.12903E-03 -0.16764E-04 3922 0.341E-02 0.118E-01 RMM: 6 -0.322116870225E+03 0.17298E-04 -0.50360E-05 3170 0.202E-02 9655 T= 4854. E= 0.67532737E+03 F= 0.63516976E+03 E0= 0.66405553E+03 EK= 0.40158E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321759176751E+03 0.35771E+00 -0.17727E-01 8736 0.207E+01 0.303E-01 RMM: 2 -0.321787579972E+03 -0.28403E-01 -0.13172E-01 5357 0.809E-01 0.159E+00 RMM: 3 -0.321769755520E+03 0.17824E-01 -0.14719E-02 5386 0.276E-01 0.292E-01 RMM: 4 -0.321769195353E+03 0.56017E-03 -0.16163E-03 5097 0.734E-02 0.118E-01 RMM: 5 -0.321769096389E+03 0.98964E-04 -0.13926E-04 3918 0.329E-02 0.957E-02 RMM: 6 -0.321769069436E+03 0.26953E-04 -0.48306E-05 3121 0.203E-02 0.899E-02 RMM: 7 -0.321769133699E+03 -0.64263E-04 -0.12770E-04 3882 0.298E-02 0.139E-01 RMM: 8 -0.321769011529E+03 0.12217E-03 -0.91639E-05 3763 0.245E-02 0.469E-02 RMM: 9 -0.321769010055E+03 0.14736E-05 -0.28334E-05 2713 0.149E-02 9656 T= 4526. E= 0.67302119E+03 F= 0.63558080E+03 E0= 0.66442925E+03 EK= 0.37440E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321977124518E+03 -0.20811E+00 -0.14197E-01 8028 0.206E+01 0.359E-01 RMM: 2 -0.322004586624E+03 -0.27462E-01 -0.10469E-01 5127 0.769E-01 0.172E+00 RMM: 3 -0.321984797175E+03 0.19789E-01 -0.14492E-02 5408 0.281E-01 0.351E-01 RMM: 4 -0.321984080094E+03 0.71708E-03 -0.20918E-03 4887 0.102E-01 0.190E-01 RMM: 5 -0.321984006415E+03 0.73679E-04 -0.39648E-04 4198 0.514E-02 0.176E-01 RMM: 6 -0.321983804813E+03 0.20160E-03 -0.12653E-04 3851 0.314E-02 0.441E-02 RMM: 7 -0.321983825499E+03 -0.20687E-04 -0.43345E-05 3117 0.184E-02 0.765E-02 RMM: 8 -0.321983790087E+03 0.35412E-04 -0.29735E-05 2708 0.181E-02 0.273E-02 RMM: 9 -0.321983787641E+03 0.24466E-05 -0.86992E-06 2465 0.869E-03 9657 T= 4737. E= 0.67462049E+03 F= 0.63543215E+03 E0= 0.66424824E+03 EK= 0.39188E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.322784746631E+03 -0.80096E+00 -0.13993E-01 8148 0.216E+01 0.233E-01 RMM: 2 -0.322798834405E+03 -0.14088E-01 -0.73873E-02 5117 0.647E-01 0.111E+00 RMM: 3 -0.322790459595E+03 0.83748E-02 -0.84512E-03 5466 0.202E-01 0.201E-01 RMM: 4 -0.322790253281E+03 0.20631E-03 -0.91804E-04 4637 0.654E-02 0.142E-01 RMM: 5 -0.322790143405E+03 0.10988E-03 -0.15482E-04 3883 0.308E-02 0.971E-02 RMM: 6 -0.322790082789E+03 0.60615E-04 -0.37525E-05 3012 0.183E-02 0.408E-02 RMM: 7 -0.322790098662E+03 -0.15873E-04 -0.53172E-05 3277 0.197E-02 9658 T= 5498. E= 0.68017555E+03 F= 0.63469176E+03 E0= 0.66347561E+03 EK= 0.45484E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.324115164656E+03 -0.13251E+01 -0.16351E-01 8076 0.236E+01 0.226E-01 RMM: 2 -0.324126912338E+03 -0.11748E-01 -0.93148E-02 5192 0.752E-01 0.810E-01 RMM: 3 -0.324122695074E+03 0.42173E-02 -0.95340E-03 5734 0.190E-01 0.169E-01 RMM: 4 -0.324122621940E+03 0.73134E-04 -0.87151E-04 4633 0.707E-02 0.215E-01 RMM: 5 -0.324122314484E+03 0.30746E-03 -0.22882E-04 3889 0.402E-02 0.683E-02 RMM: 6 -0.324122287528E+03 0.26956E-04 -0.32188E-05 2879 0.169E-02 0.377E-02 RMM: 7 -0.324122282245E+03 0.52831E-05 -0.20033E-05 2502 0.136E-02 9659 T= 6749. E= 0.68925475E+03 F= 0.63342294E+03 E0= 0.66217422E+03 EK= 0.55832E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.325769787890E+03 -0.16475E+01 -0.21189E-01 8064 0.260E+01 0.296E-01 RMM: 2 -0.325791752927E+03 -0.21965E-01 -0.17233E-01 5192 0.102E+00 0.110E+00 RMM: 3 -0.325784066270E+03 0.76867E-02 -0.17613E-02 5748 0.259E-01 0.231E-01 RMM: 4 -0.325783719558E+03 0.34671E-03 -0.14521E-03 4773 0.900E-02 0.256E-01 RMM: 5 -0.325783265878E+03 0.45368E-03 -0.35895E-04 4143 0.496E-02 0.995E-02 RMM: 6 -0.325783211397E+03 0.54481E-04 -0.61641E-05 3382 0.210E-02 0.600E-02 RMM: 7 -0.325783179644E+03 0.31753E-04 -0.40200E-05 2628 0.182E-02 0.619E-02 RMM: 8 -0.325783143113E+03 0.36530E-04 -0.38126E-05 2638 0.172E-02 0.344E-02 RMM: 9 -0.325783149320E+03 -0.62063E-05 -0.45102E-05 3010 0.174E-02 9660 T= 8136. E= 0.69912678E+03 F= 0.63182236E+03 E0= 0.66053915E+03 EK= 0.67304E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.327444787366E+03 -0.16616E+01 -0.25273E-01 8568 0.277E+01 0.352E-01 RMM: 2 -0.327470169005E+03 -0.25382E-01 -0.21726E-01 5225 0.115E+00 0.112E+00 RMM: 3 -0.327462530622E+03 0.76384E-02 -0.22844E-02 5826 0.283E-01 0.244E-01 RMM: 4 -0.327462377485E+03 0.15314E-03 -0.19103E-03 4815 0.107E-01 0.359E-01 RMM: 5 -0.327461506448E+03 0.87104E-03 -0.55419E-04 4546 0.615E-02 0.981E-02 RMM: 6 -0.327461454818E+03 0.51630E-04 -0.84434E-05 3580 0.229E-02 0.620E-02 RMM: 7 -0.327461424819E+03 0.29998E-04 -0.31790E-05 2619 0.163E-02 0.515E-02 RMM: 8 -0.327461408549E+03 0.16270E-04 -0.16844E-05 2511 0.121E-02 9661 T= 8913. E= 0.70394124E+03 F= 0.63020298E+03 E0= 0.65888271E+03 EK= 0.73738E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328858591554E+03 -0.13972E+01 -0.27108E-01 8544 0.278E+01 0.264E-01 RMM: 2 -0.328884582533E+03 -0.25991E-01 -0.21001E-01 5119 0.106E+00 0.106E+00 RMM: 3 -0.328876736165E+03 0.78464E-02 -0.21846E-02 5822 0.279E-01 0.217E-01 RMM: 4 -0.328876284840E+03 0.45132E-03 -0.13618E-03 4882 0.846E-02 0.217E-01 RMM: 5 -0.328875970651E+03 0.31419E-03 -0.26138E-04 3911 0.409E-02 0.105E-01 RMM: 6 -0.328875913858E+03 0.56793E-04 -0.54459E-05 3264 0.208E-02 0.700E-02 RMM: 7 -0.328875877868E+03 0.35990E-04 -0.66774E-05 3448 0.208E-02 0.768E-02 RMM: 8 -0.328875829678E+03 0.48190E-04 -0.82427E-05 3837 0.221E-02 0.395E-02 RMM: 9 -0.328875838281E+03 -0.86032E-05 -0.37978E-05 2821 0.172E-02 9662 T= 8514. E= 0.69928521E+03 F= 0.62884931E+03 E0= 0.65749677E+03 EK= 0.70436E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329932992743E+03 -0.10572E+01 -0.24655E-01 8460 0.262E+01 0.244E-01 RMM: 2 -0.329954271169E+03 -0.21278E-01 -0.16988E-01 4915 0.934E-01 0.965E-01 RMM: 3 -0.329947296776E+03 0.69744E-02 -0.18041E-02 5780 0.263E-01 0.179E-01 RMM: 4 -0.329947149401E+03 0.14737E-03 -0.11985E-03 4869 0.804E-02 0.224E-01 RMM: 5 -0.329946806369E+03 0.34303E-03 -0.23186E-04 3907 0.396E-02 0.680E-02 RMM: 6 -0.329946784349E+03 0.22020E-04 -0.38342E-05 2966 0.181E-02 0.456E-02 RMM: 7 -0.329946789680E+03 -0.53307E-05 -0.32266E-05 2634 0.161E-02 9663 T= 7245. E= 0.68778292E+03 F= 0.62784498E+03 E0= 0.65646730E+03 EK= 0.59938E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330785175381E+03 -0.83839E+00 -0.20846E-01 8316 0.238E+01 0.145E-01 RMM: 2 -0.330802479364E+03 -0.17304E-01 -0.16071E-01 4955 0.907E-01 0.582E-01 RMM: 3 -0.330799542861E+03 0.29365E-02 -0.16464E-02 6057 0.232E-01 0.154E-01 RMM: 4 -0.330799144731E+03 0.39813E-03 -0.62909E-04 4593 0.612E-02 0.108E-01 RMM: 5 -0.330799071410E+03 0.73321E-04 -0.10315E-04 3735 0.312E-02 0.743E-02 RMM: 6 -0.330799080566E+03 -0.91558E-05 -0.46669E-05 3065 0.192E-02 9664 T= 5885. E= 0.67575522E+03 F= 0.62706848E+03 E0= 0.65567834E+03 EK= 0.48687E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331607265386E+03 -0.80819E+00 -0.19151E-01 8184 0.216E+01 0.180E-01 RMM: 2 -0.331626208121E+03 -0.18943E-01 -0.15574E-01 5059 0.891E-01 0.814E-01 RMM: 3 -0.331620863934E+03 0.53442E-02 -0.15355E-02 5912 0.231E-01 0.165E-01 RMM: 4 -0.331620476258E+03 0.38768E-03 -0.65426E-04 4874 0.568E-02 0.101E-01 RMM: 5 -0.331620411119E+03 0.65140E-04 -0.11495E-04 3899 0.326E-02 0.774E-02 RMM: 6 -0.331620464696E+03 -0.53577E-04 -0.97939E-05 3794 0.265E-02 0.124E-01 RMM: 7 -0.331620407408E+03 0.57288E-04 -0.78628E-05 3785 0.245E-02 0.822E-02 RMM: 8 -0.331620368522E+03 0.38886E-04 -0.28013E-05 2752 0.157E-02 0.327E-02 RMM: 9 -0.331620381673E+03 -0.13151E-04 -0.24149E-05 2537 0.139E-02 9665 T= 4925. E= 0.66707879E+03 F= 0.62633363E+03 E0= 0.65493900E+03 EK= 0.40745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332542622798E+03 -0.92225E+00 -0.16411E-01 8196 0.203E+01 0.215E-01 RMM: 2 -0.332561781063E+03 -0.19158E-01 -0.13821E-01 4889 0.862E-01 0.100E+00 RMM: 3 -0.332554507477E+03 0.72736E-02 -0.15258E-02 5855 0.231E-01 0.177E-01 RMM: 4 -0.332554123394E+03 0.38408E-03 -0.97266E-04 4756 0.749E-02 0.155E-01 RMM: 5 -0.332553962371E+03 0.16102E-03 -0.22429E-04 3891 0.415E-02 0.715E-02 RMM: 6 -0.332553957554E+03 0.48172E-05 -0.57280E-05 3286 0.215E-02 9666 T= 4488. E= 0.66262105E+03 F= 0.62549575E+03 E0= 0.65410972E+03 EK= 0.37125E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333664797522E+03 -0.11108E+01 -0.14138E-01 8628 0.200E+01 0.239E-01 RMM: 2 -0.333680826733E+03 -0.16029E-01 -0.91065E-02 5122 0.665E-01 0.110E+00 RMM: 3 -0.333671955107E+03 0.88716E-02 -0.10113E-02 5448 0.216E-01 0.176E-01 RMM: 4 -0.333671795055E+03 0.16005E-03 -0.92519E-04 4747 0.623E-02 0.138E-01 RMM: 5 -0.333671717284E+03 0.77771E-04 -0.17249E-04 3886 0.329E-02 0.111E-01 RMM: 6 -0.333671647437E+03 0.69847E-04 -0.84829E-05 3610 0.255E-02 0.535E-02 RMM: 7 -0.333671704164E+03 -0.56727E-04 -0.58706E-05 3352 0.211E-02 0.105E-01 RMM: 8 -0.333671636654E+03 0.67510E-04 -0.35599E-05 2956 0.186E-02 0.303E-02 RMM: 9 -0.333671633327E+03 0.33266E-05 -0.10490E-05 2469 0.916E-03 9667 T= 4562. E= 0.66222142E+03 F= 0.62447918E+03 E0= 0.65310806E+03 EK= 0.37742E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334967913236E+03 -0.12963E+01 -0.15177E-01 8304 0.208E+01 0.189E-01 RMM: 2 -0.334981509660E+03 -0.13596E-01 -0.95563E-02 4886 0.677E-01 0.852E-01 RMM: 3 -0.334975911587E+03 0.55981E-02 -0.10085E-02 5594 0.202E-01 0.160E-01 RMM: 4 -0.334975769931E+03 0.14166E-03 -0.80432E-04 4681 0.623E-02 0.149E-01 RMM: 5 -0.334975651635E+03 0.11830E-03 -0.15078E-04 3879 0.318E-02 0.840E-02 RMM: 6 -0.334975605641E+03 0.45994E-04 -0.40529E-05 3083 0.191E-02 0.281E-02 RMM: 7 -0.334975617998E+03 -0.12357E-04 -0.18434E-05 2529 0.127E-02 9668 T= 5140. E= 0.66579783E+03 F= 0.62327654E+03 E0= 0.65192866E+03 EK= 0.42521E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336380647980E+03 -0.14050E+01 -0.16721E-01 8760 0.226E+01 0.247E-01 RMM: 2 -0.336395238439E+03 -0.14590E-01 -0.10065E-01 5146 0.730E-01 0.985E-01 RMM: 3 -0.336388693378E+03 0.65451E-02 -0.10881E-02 5701 0.207E-01 0.178E-01 RMM: 4 -0.336388665283E+03 0.28095E-04 -0.10284E-03 4657 0.740E-02 0.229E-01 RMM: 5 -0.336388311864E+03 0.35342E-03 -0.23882E-04 3882 0.402E-02 0.801E-02 RMM: 6 -0.336388272055E+03 0.39808E-04 -0.38625E-05 3025 0.183E-02 0.383E-02 RMM: 7 -0.336388271207E+03 0.84880E-06 -0.27106E-05 2605 0.147E-02 9669 T= 6190. E= 0.67316753E+03 F= 0.62196118E+03 E0= 0.65064264E+03 EK= 0.51206E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337723577533E+03 -0.13353E+01 -0.20184E-01 8952 0.249E+01 0.264E-01 RMM: 2 -0.337739127660E+03 -0.15550E-01 -0.13710E-01 5168 0.870E-01 0.805E-01 RMM: 3 -0.337735044787E+03 0.40829E-02 -0.14969E-02 5859 0.226E-01 0.191E-01 RMM: 4 -0.337734981558E+03 0.63229E-04 -0.10914E-03 4711 0.782E-02 0.276E-01 RMM: 5 -0.337734448427E+03 0.53313E-03 -0.30966E-04 3962 0.461E-02 0.674E-02 RMM: 6 -0.337734421958E+03 0.26469E-04 -0.39223E-05 3034 0.178E-02 0.418E-02 RMM: 7 -0.337734407739E+03 0.14220E-04 -0.20985E-05 2523 0.135E-02 9670 T= 7497. E= 0.68272285E+03 F= 0.62070647E+03 E0= 0.64941886E+03 EK= 0.62016E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338746027286E+03 -0.10116E+01 -0.25294E-01 8448 0.269E+01 0.275E-01 RMM: 2 -0.338767808323E+03 -0.21781E-01 -0.19007E-01 5079 0.104E+00 0.923E-01 RMM: 3 -0.338762541029E+03 0.52673E-02 -0.20856E-02 5941 0.263E-01 0.224E-01 RMM: 4 -0.338762154830E+03 0.38620E-03 -0.14128E-03 4886 0.925E-02 0.267E-01 RMM: 5 -0.338761652609E+03 0.50222E-03 -0.36337E-04 4009 0.498E-02 0.889E-02 RMM: 6 -0.338761607671E+03 0.44939E-04 -0.52384E-05 3234 0.199E-02 0.562E-02 RMM: 7 -0.338761580087E+03 0.27584E-04 -0.39493E-05 2651 0.179E-02 0.579E-02 RMM: 8 -0.338761548741E+03 0.31346E-04 -0.39443E-05 2720 0.171E-02 0.332E-02 RMM: 9 -0.338761557746E+03 -0.90054E-05 -0.37671E-05 2695 0.157E-02 9671 T= 8497. E= 0.69006195E+03 F= 0.61976616E+03 E0= 0.64850803E+03 EK= 0.70296E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339242354803E+03 -0.48081E+00 -0.26483E-01 8544 0.277E+01 0.285E-01 RMM: 2 -0.339261252236E+03 -0.18897E-01 -0.17733E-01 5099 0.988E-01 0.791E-01 RMM: 3 -0.339257052987E+03 0.41992E-02 -0.18572E-02 5936 0.252E-01 0.225E-01 RMM: 4 -0.339257047174E+03 0.58134E-05 -0.13274E-03 4896 0.876E-02 0.325E-01 RMM: 5 -0.339256314038E+03 0.73314E-03 -0.40599E-04 4240 0.525E-02 0.722E-02 RMM: 6 -0.339256282162E+03 0.31876E-04 -0.55644E-05 3289 0.203E-02 0.388E-02 RMM: 7 -0.339256274653E+03 0.75094E-05 -0.20269E-05 2532 0.133E-02 9672 T= 8550. E= 0.69008905E+03 F= 0.61935750E+03 E0= 0.64812025E+03 EK= 0.70732E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339180348958E+03 0.75933E-01 -0.24954E-01 8460 0.269E+01 0.173E-01 RMM: 2 -0.339196276935E+03 -0.15928E-01 -0.14943E-01 5182 0.851E-01 0.596E-01 RMM: 3 -0.339192782792E+03 0.34941E-02 -0.13128E-02 6255 0.216E-01 0.146E-01 RMM: 4 -0.339192513179E+03 0.26961E-03 -0.55883E-04 4659 0.556E-02 0.131E-01 RMM: 5 -0.339192392861E+03 0.12032E-03 -0.10351E-04 3721 0.285E-02 0.725E-02 RMM: 6 -0.339192388729E+03 0.41316E-05 -0.44894E-05 3075 0.191E-02 9673 T= 7619. E= 0.68253716E+03 F= 0.61951158E+03 E0= 0.64828459E+03 EK= 0.63026E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338736716499E+03 0.45568E+00 -0.22300E-01 8040 0.249E+01 0.327E-01 RMM: 2 -0.338774521231E+03 -0.37805E-01 -0.16746E-01 4940 0.960E-01 0.186E+00 RMM: 3 -0.338750604130E+03 0.23917E-01 -0.20398E-02 5423 0.327E-01 0.331E-01 RMM: 4 -0.338749863354E+03 0.74078E-03 -0.19858E-03 5063 0.906E-02 0.116E-01 RMM: 5 -0.338749787661E+03 0.75693E-04 -0.24488E-04 3969 0.407E-02 0.106E-01 RMM: 6 -0.338749733143E+03 0.54518E-04 -0.84050E-05 3731 0.258E-02 0.695E-02 RMM: 7 -0.338749787050E+03 -0.53907E-04 -0.95515E-05 3860 0.263E-02 0.117E-01 RMM: 8 -0.338749702823E+03 0.84227E-04 -0.51600E-05 3277 0.214E-02 0.384E-02 RMM: 9 -0.338749699753E+03 0.30707E-05 -0.14756E-05 2497 0.112E-02 9674 T= 6318. E= 0.67232230E+03 F= 0.62005299E+03 E0= 0.64882531E+03 EK= 0.52269E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338165878960E+03 0.58382E+00 -0.18129E-01 7896 0.228E+01 0.332E-01 RMM: 2 -0.338201500771E+03 -0.35622E-01 -0.14247E-01 5164 0.903E-01 0.189E+00 RMM: 3 -0.338177405101E+03 0.24096E-01 -0.17451E-02 5429 0.306E-01 0.349E-01 RMM: 4 -0.338176505279E+03 0.89982E-03 -0.18732E-03 4932 0.929E-02 0.133E-01 RMM: 5 -0.338176403584E+03 0.10169E-03 -0.26632E-04 3913 0.429E-02 0.113E-01 RMM: 6 -0.338176330747E+03 0.72837E-04 -0.83379E-05 3725 0.260E-02 0.695E-02 RMM: 7 -0.338176353884E+03 -0.23137E-04 -0.96367E-05 3869 0.264E-02 0.104E-01 RMM: 8 -0.338176279056E+03 0.74827E-04 -0.58604E-05 3367 0.226E-02 0.304E-02 RMM: 9 -0.338176279311E+03 -0.25461E-06 -0.14917E-05 2488 0.107E-02 9675 T= 5239. E= 0.66407500E+03 F= 0.62073593E+03 E0= 0.64949811E+03 EK= 0.43339E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337646893766E+03 0.52939E+00 -0.15095E-01 7860 0.211E+01 0.222E-01 RMM: 2 -0.337664721460E+03 -0.17828E-01 -0.10997E-01 5140 0.801E-01 0.112E+00 RMM: 3 -0.337656219288E+03 0.85022E-02 -0.12012E-02 5602 0.228E-01 0.225E-01 RMM: 4 -0.337655814948E+03 0.40434E-03 -0.85991E-04 4787 0.622E-02 0.106E-01 RMM: 5 -0.337655729370E+03 0.85578E-04 -0.13731E-04 3878 0.338E-02 0.856E-02 RMM: 6 -0.337655731962E+03 -0.25921E-05 -0.57484E-05 3306 0.214E-02 9676 T= 4621. E= 0.65960004E+03 F= 0.62137576E+03 E0= 0.65012246E+03 EK= 0.38224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337266358038E+03 0.38937E+00 -0.13073E-01 7728 0.204E+01 0.286E-01 RMM: 2 -0.337284517636E+03 -0.18160E-01 -0.74549E-02 5104 0.638E-01 0.136E+00 RMM: 3 -0.337272013914E+03 0.12504E-01 -0.10320E-02 5380 0.237E-01 0.254E-01 RMM: 4 -0.337271640727E+03 0.37319E-03 -0.11321E-03 4671 0.690E-02 0.131E-01 RMM: 5 -0.337271621611E+03 0.19116E-04 -0.26123E-04 3920 0.429E-02 0.150E-01 RMM: 6 -0.337271504340E+03 0.11727E-03 -0.16158E-04 3889 0.359E-02 0.758E-02 RMM: 7 -0.337271569073E+03 -0.64733E-04 -0.92245E-05 3720 0.267E-02 0.120E-01 RMM: 8 -0.337271485669E+03 0.83403E-04 -0.48032E-05 3251 0.217E-02 0.457E-02 RMM: 9 -0.337271476461E+03 0.92080E-05 -0.12922E-05 2506 0.107E-02 9677 T= 4499. E= 0.65910693E+03 F= 0.62188490E+03 E0= 0.65060497E+03 EK= 0.37222E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337016832029E+03 0.25465E+00 -0.12947E-01 7884 0.208E+01 0.288E-01 RMM: 2 -0.337036412670E+03 -0.19581E-01 -0.69643E-02 4961 0.639E-01 0.147E+00 RMM: 3 -0.337022018262E+03 0.14394E-01 -0.10712E-02 5377 0.247E-01 0.316E-01 RMM: 4 -0.337021311491E+03 0.70677E-03 -0.12712E-03 4659 0.769E-02 0.918E-02 RMM: 5 -0.337021343411E+03 -0.31920E-04 -0.20802E-04 3884 0.381E-02 0.131E-01 RMM: 6 -0.337021228824E+03 0.11459E-03 -0.66199E-05 3456 0.240E-02 0.357E-02 RMM: 7 -0.337021239901E+03 -0.11078E-04 -0.30259E-05 2781 0.163E-02 9678 T= 4877. E= 0.66260768E+03 F= 0.62225942E+03 E0= 0.65094766E+03 EK= 0.40348E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336818460216E+03 0.20277E+00 -0.14708E-01 7944 0.221E+01 0.250E-01 RMM: 2 -0.336831887568E+03 -0.13427E-01 -0.80290E-02 5020 0.681E-01 0.103E+00 RMM: 3 -0.336824615217E+03 0.72724E-02 -0.92042E-03 5467 0.205E-01 0.184E-01 RMM: 4 -0.336824705690E+03 -0.90473E-04 -0.10916E-03 4677 0.755E-02 0.239E-01 RMM: 5 -0.336824350315E+03 0.35538E-03 -0.24362E-04 3888 0.391E-02 0.983E-02 RMM: 6 -0.336824288525E+03 0.61790E-04 -0.47763E-05 3170 0.198E-02 0.376E-02 RMM: 7 -0.336824298267E+03 -0.97416E-05 -0.35552E-05 2741 0.173E-02 9679 T= 5757. E= 0.67020443E+03 F= 0.62257452E+03 E0= 0.65122098E+03 EK= 0.47630E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336512985569E+03 0.31130E+00 -0.17314E-01 8508 0.242E+01 0.252E-01 RMM: 2 -0.336524421607E+03 -0.11436E-01 -0.94810E-02 5199 0.757E-01 0.792E-01 RMM: 3 -0.336520354625E+03 0.40670E-02 -0.99715E-03 5655 0.202E-01 0.173E-01 RMM: 4 -0.336520432881E+03 -0.78256E-04 -0.94904E-04 4653 0.719E-02 0.250E-01 RMM: 5 -0.336520015674E+03 0.41721E-03 -0.25588E-04 3891 0.410E-02 0.826E-02 RMM: 6 -0.336519972958E+03 0.42716E-04 -0.46211E-05 3168 0.197E-02 0.360E-02 RMM: 7 -0.336519968904E+03 0.40545E-05 -0.18424E-05 2504 0.128E-02 9680 T= 7033. E= 0.68117059E+03 F= 0.62298795E+03 E0= 0.65158273E+03 EK= 0.58183E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335878629321E+03 0.64134E+00 -0.21386E-01 8388 0.263E+01 0.282E-01 RMM: 2 -0.335895375300E+03 -0.16746E-01 -0.14276E-01 5234 0.918E-01 0.899E-01 RMM: 3 -0.335890311415E+03 0.50639E-02 -0.14240E-02 5784 0.229E-01 0.228E-01 RMM: 4 -0.335890181008E+03 0.13041E-03 -0.12749E-03 4728 0.866E-02 0.282E-01 RMM: 5 -0.335889622160E+03 0.55885E-03 -0.37452E-04 4062 0.500E-02 0.854E-02 RMM: 6 -0.335889579780E+03 0.42380E-04 -0.53895E-05 3272 0.198E-02 0.525E-02 RMM: 7 -0.335889558906E+03 0.20874E-04 -0.39534E-05 2644 0.179E-02 0.582E-02 RMM: 8 -0.335889530719E+03 0.28187E-04 -0.35476E-05 2683 0.164E-02 0.344E-02 RMM: 9 -0.335889540452E+03 -0.97329E-05 -0.35483E-05 2784 0.161E-02 9681 T= 8274. E= 0.69217118E+03 F= 0.62371913E+03 E0= 0.65225422E+03 EK= 0.68452E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334749518008E+03 0.11400E+01 -0.23363E-01 8304 0.276E+01 0.303E-01 RMM: 2 -0.334766193624E+03 -0.16676E-01 -0.14972E-01 5221 0.945E-01 0.884E-01 RMM: 3 -0.334761393222E+03 0.48004E-02 -0.15472E-02 5793 0.240E-01 0.206E-01 RMM: 4 -0.334761509962E+03 -0.11674E-03 -0.13151E-03 4756 0.859E-02 0.324E-01 RMM: 5 -0.334760797693E+03 0.71227E-03 -0.39163E-04 4152 0.508E-02 0.842E-02 RMM: 6 -0.334760754503E+03 0.43190E-04 -0.63799E-05 3401 0.216E-02 0.416E-02 RMM: 7 -0.334760742683E+03 0.11821E-04 -0.17892E-05 2515 0.122E-02 9682 T= 8762. E= 0.69743363E+03 F= 0.62494421E+03 E0= 0.65341573E+03 EK= 0.72489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333165541001E+03 0.15952E+01 -0.23498E-01 8196 0.271E+01 0.182E-01 RMM: 2 -0.333178785967E+03 -0.13245E-01 -0.12475E-01 5128 0.814E-01 0.575E-01 RMM: 3 -0.333175987571E+03 0.27984E-02 -0.11397E-02 5970 0.205E-01 0.140E-01 RMM: 4 -0.333175840348E+03 0.14722E-03 -0.58979E-04 4657 0.595E-02 0.162E-01 RMM: 5 -0.333175644926E+03 0.19542E-03 -0.13822E-04 3891 0.310E-02 0.738E-02 RMM: 6 -0.333175639436E+03 0.54904E-05 -0.54423E-05 3248 0.204E-02 9683 T= 8136. E= 0.69393246E+03 F= 0.62662673E+03 E0= 0.65504094E+03 EK= 0.67306E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331412284351E+03 0.17634E+01 -0.22015E-01 7572 0.252E+01 0.348E-01 RMM: 2 -0.331448536361E+03 -0.36252E-01 -0.15028E-01 4955 0.942E-01 0.188E+00 RMM: 3 -0.331424199025E+03 0.24337E-01 -0.20262E-02 5445 0.327E-01 0.299E-01 RMM: 4 -0.331423624620E+03 0.57440E-03 -0.18251E-03 4986 0.872E-02 0.132E-01 RMM: 5 -0.331423557551E+03 0.67069E-04 -0.28051E-04 4042 0.453E-02 0.117E-01 RMM: 6 -0.331423490878E+03 0.66673E-04 -0.10378E-04 3826 0.287E-02 0.692E-02 RMM: 7 -0.331423536875E+03 -0.45997E-04 -0.75874E-05 3615 0.244E-02 0.103E-01 RMM: 8 -0.331423472931E+03 0.63944E-04 -0.39821E-05 3073 0.198E-02 0.369E-02 RMM: 9 -0.331423470327E+03 0.26042E-05 -0.13092E-05 2489 0.106E-02 9684 T= 6848. E= 0.68513209E+03 F= 0.62848304E+03 E0= 0.65685198E+03 EK= 0.56649E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329861652923E+03 0.15618E+01 -0.19023E-01 7968 0.228E+01 0.338E-01 RMM: 2 -0.329898738482E+03 -0.37086E-01 -0.15459E-01 5202 0.955E-01 0.191E+00 RMM: 3 -0.329874019464E+03 0.24719E-01 -0.18006E-02 5438 0.313E-01 0.346E-01 RMM: 4 -0.329873198646E+03 0.82082E-03 -0.19244E-03 4985 0.944E-02 0.144E-01 RMM: 5 -0.329873069436E+03 0.12921E-03 -0.28447E-04 3982 0.449E-02 0.112E-01 RMM: 6 -0.329873003437E+03 0.65999E-04 -0.89327E-05 3798 0.262E-02 0.735E-02 RMM: 7 -0.329873025020E+03 -0.21583E-04 -0.10001E-04 3882 0.265E-02 0.105E-01 RMM: 8 -0.329872951929E+03 0.73091E-04 -0.54762E-05 3279 0.226E-02 0.332E-02 RMM: 9 -0.329872951104E+03 0.82443E-06 -0.15334E-05 2483 0.110E-02 9685 T= 5613. E= 0.67658060E+03 F= 0.63014813E+03 E0= 0.65848455E+03 EK= 0.46432E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328781880558E+03 0.10911E+01 -0.15567E-01 8004 0.209E+01 0.247E-01 RMM: 2 -0.328803067371E+03 -0.21187E-01 -0.13694E-01 5194 0.915E-01 0.119E+00 RMM: 3 -0.328793355932E+03 0.97114E-02 -0.13992E-02 5630 0.246E-01 0.250E-01 RMM: 4 -0.328792829690E+03 0.52624E-03 -0.98489E-04 4727 0.697E-02 0.123E-01 RMM: 5 -0.328792730783E+03 0.98907E-04 -0.18309E-04 3885 0.381E-02 0.100E-01 RMM: 6 -0.328792717624E+03 0.13159E-04 -0.78514E-05 3637 0.248E-02 9686 T= 4821. E= 0.67123396E+03 F= 0.63135377E+03 E0= 0.65967069E+03 EK= 0.39880E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328301297502E+03 0.49143E+00 -0.12631E-01 8016 0.198E+01 0.384E-01 RMM: 2 -0.328333716598E+03 -0.32419E-01 -0.92153E-02 5331 0.729E-01 0.196E+00 RMM: 3 -0.328307617097E+03 0.26100E-01 -0.15448E-02 5354 0.307E-01 0.349E-01 RMM: 4 -0.328306800604E+03 0.81649E-03 -0.17019E-03 4695 0.836E-02 0.135E-01 RMM: 5 -0.328306805744E+03 -0.51398E-05 -0.35290E-04 4133 0.500E-02 0.164E-01 RMM: 6 -0.328306665188E+03 0.14056E-03 -0.19854E-04 3896 0.396E-02 0.892E-02 RMM: 7 -0.328306725938E+03 -0.60750E-04 -0.12436E-04 3883 0.307E-02 0.126E-01 RMM: 8 -0.328306644336E+03 0.81602E-04 -0.67249E-05 3507 0.249E-02 0.583E-02 RMM: 9 -0.328306628631E+03 0.15705E-04 -0.18608E-05 2570 0.131E-02 9687 T= 4564. E= 0.66972544E+03 F= 0.63197289E+03 E0= 0.66027459E+03 EK= 0.37753E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.328425927861E+03 -0.11928E+00 -0.12268E-01 8256 0.199E+01 0.339E-01 RMM: 2 -0.328455148440E+03 -0.29221E-01 -0.83421E-02 5232 0.694E-01 0.184E+00 RMM: 3 -0.328431986901E+03 0.23162E-01 -0.13356E-02 5383 0.282E-01 0.383E-01 RMM: 4 -0.328430919268E+03 0.10676E-02 -0.17179E-03 4735 0.900E-02 0.112E-01 RMM: 5 -0.328430960199E+03 -0.40931E-04 -0.29492E-04 3941 0.452E-02 0.151E-01 RMM: 6 -0.328430810088E+03 0.15011E-03 -0.10683E-04 3849 0.298E-02 0.468E-02 RMM: 7 -0.328430827106E+03 -0.17018E-04 -0.42649E-05 3090 0.187E-02 9688 T= 4846. E= 0.67207202E+03 F= 0.63198336E+03 E0= 0.66027901E+03 EK= 0.40089E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.329092408171E+03 -0.66160E+00 -0.14005E-01 8376 0.212E+01 0.282E-01 RMM: 2 -0.329109230336E+03 -0.16822E-01 -0.88919E-02 5231 0.689E-01 0.122E+00 RMM: 3 -0.329098940471E+03 0.10290E-01 -0.10047E-02 5479 0.220E-01 0.213E-01 RMM: 4 -0.329098902945E+03 0.37527E-04 -0.12745E-03 4650 0.798E-02 0.223E-01 RMM: 5 -0.329098624744E+03 0.27820E-03 -0.25320E-04 3901 0.381E-02 0.123E-01 RMM: 6 -0.329098527764E+03 0.96980E-04 -0.67371E-05 3451 0.234E-02 0.444E-02 RMM: 7 -0.329098546621E+03 -0.18857E-04 -0.38888E-05 2978 0.176E-02 9689 T= 5667. E= 0.67833124E+03 F= 0.63144588E+03 E0= 0.65974102E+03 EK= 0.46885E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.330139325526E+03 -0.10408E+01 -0.17689E-01 8592 0.234E+01 0.283E-01 RMM: 2 -0.330156801525E+03 -0.17476E-01 -0.13154E-01 5170 0.854E-01 0.102E+00 RMM: 3 -0.330149916581E+03 0.68849E-02 -0.14364E-02 5723 0.235E-01 0.230E-01 RMM: 4 -0.330149770178E+03 0.14640E-03 -0.13361E-03 4716 0.840E-02 0.250E-01 RMM: 5 -0.330149372300E+03 0.39788E-03 -0.30924E-04 3912 0.444E-02 0.100E-01 RMM: 6 -0.330149310460E+03 0.61839E-04 -0.59698E-05 3367 0.221E-02 0.409E-02 RMM: 7 -0.330149308287E+03 0.21730E-05 -0.18623E-05 2524 0.126E-02 9690 T= 6932. E= 0.68786722E+03 F= 0.63051715E+03 E0= 0.65881808E+03 EK= 0.57350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.331292380971E+03 -0.11431E+01 -0.23860E-01 8352 0.258E+01 0.332E-01 RMM: 2 -0.331318649000E+03 -0.26268E-01 -0.21531E-01 5153 0.110E+00 0.111E+00 RMM: 3 -0.331310395008E+03 0.82540E-02 -0.22795E-02 5821 0.286E-01 0.269E-01 RMM: 4 -0.331310015647E+03 0.37936E-03 -0.19226E-03 4893 0.104E-01 0.301E-01 RMM: 5 -0.331309396022E+03 0.61962E-03 -0.49253E-04 4405 0.570E-02 0.110E-01 RMM: 6 -0.331309324254E+03 0.71768E-04 -0.83141E-05 3598 0.232E-02 0.594E-02 RMM: 7 -0.331309305582E+03 0.18673E-04 -0.42047E-05 2856 0.181E-02 9691 T= 8230. E= 0.69755427E+03 F= 0.62947113E+03 E0= 0.65778361E+03 EK= 0.68083E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332237326355E+03 -0.92800E+00 -0.25836E-01 8448 0.274E+01 0.359E-01 RMM: 2 -0.332268111549E+03 -0.30785E-01 -0.22161E-01 5242 0.110E+00 0.139E+00 RMM: 3 -0.332255378374E+03 0.12733E-01 -0.22759E-02 5747 0.296E-01 0.298E-01 RMM: 4 -0.332255101772E+03 0.27660E-03 -0.22708E-03 5011 0.113E-01 0.321E-01 RMM: 5 -0.332254401096E+03 0.70068E-03 -0.53909E-04 4476 0.589E-02 0.119E-01 RMM: 6 -0.332254318363E+03 0.82733E-04 -0.92721E-05 3670 0.241E-02 0.563E-02 RMM: 7 -0.332254307345E+03 0.11018E-04 -0.28773E-05 2614 0.153E-02 9692 T= 8821. E= 0.70160841E+03 F= 0.62863592E+03 E0= 0.65696493E+03 EK= 0.72972E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332772134991E+03 -0.51782E+00 -0.26186E-01 8520 0.275E+01 0.284E-01 RMM: 2 -0.332795938788E+03 -0.23804E-01 -0.19270E-01 5235 0.979E-01 0.104E+00 RMM: 3 -0.332787747917E+03 0.81909E-02 -0.17511E-02 5906 0.256E-01 0.223E-01 RMM: 4 -0.332787621901E+03 0.12602E-03 -0.14330E-03 4883 0.889E-02 0.274E-01 RMM: 5 -0.332787116680E+03 0.50522E-03 -0.34004E-04 3941 0.464E-02 0.995E-02 RMM: 6 -0.332787064743E+03 0.51937E-04 -0.70069E-05 3447 0.232E-02 0.558E-02 RMM: 7 -0.332787071709E+03 -0.69660E-05 -0.50573E-05 3076 0.181E-02 9693 T= 8269. E= 0.69662212E+03 F= 0.62821511E+03 E0= 0.65656343E+03 EK= 0.68407E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332950797175E+03 -0.16373E+00 -0.24263E-01 8436 0.259E+01 0.240E-01 RMM: 2 -0.332972870069E+03 -0.22073E-01 -0.17486E-01 5204 0.913E-01 0.986E-01 RMM: 3 -0.332964910277E+03 0.79598E-02 -0.15104E-02 5920 0.245E-01 0.206E-01 RMM: 4 -0.332964641131E+03 0.26915E-03 -0.10735E-03 4856 0.754E-02 0.176E-01 RMM: 5 -0.332964463052E+03 0.17808E-03 -0.21174E-04 3900 0.377E-02 0.100E-01 RMM: 6 -0.332964424138E+03 0.38915E-04 -0.82732E-05 3553 0.258E-02 0.656E-02 RMM: 7 -0.332964470695E+03 -0.46557E-04 -0.58013E-05 3323 0.204E-02 0.106E-01 RMM: 8 -0.332964403043E+03 0.67653E-04 -0.36536E-05 2947 0.190E-02 0.256E-02 RMM: 9 -0.332964405451E+03 -0.24084E-05 -0.12899E-05 2472 0.101E-02 9694 T= 6983. E= 0.68592543E+03 F= 0.62815866E+03 E0= 0.65652820E+03 EK= 0.57767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333005432211E+03 -0.41029E-01 -0.21386E-01 8628 0.236E+01 0.199E-01 RMM: 2 -0.333024551418E+03 -0.19119E-01 -0.16463E-01 5215 0.907E-01 0.802E-01 RMM: 3 -0.333019200269E+03 0.53511E-02 -0.14471E-02 5981 0.232E-01 0.198E-01 RMM: 4 -0.333018827010E+03 0.37326E-03 -0.78579E-04 4768 0.637E-02 0.140E-01 RMM: 5 -0.333018676808E+03 0.15020E-03 -0.16869E-04 3925 0.370E-02 0.896E-02 RMM: 6 -0.333018685795E+03 -0.89870E-05 -0.10789E-04 3854 0.283E-02 9695 T= 5700. E= 0.67539646E+03 F= 0.62823910E+03 E0= 0.65663254E+03 EK= 0.47157E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333177538419E+03 -0.15886E+00 -0.17275E-01 8484 0.216E+01 0.266E-01 RMM: 2 -0.333201397380E+03 -0.23859E-01 -0.13203E-01 5285 0.822E-01 0.134E+00 RMM: 3 -0.333188385255E+03 0.13012E-01 -0.12998E-02 5469 0.245E-01 0.272E-01 RMM: 4 -0.333187870040E+03 0.51521E-03 -0.11714E-03 4776 0.715E-02 0.134E-01 RMM: 5 -0.333187742172E+03 0.12787E-03 -0.27056E-04 4028 0.471E-02 0.113E-01 RMM: 6 -0.333187794389E+03 -0.52217E-04 -0.22450E-04 3905 0.409E-02 0.151E-01 RMM: 7 -0.333187824843E+03 -0.30453E-04 -0.15221E-04 3888 0.338E-02 0.163E-01 RMM: 8 -0.333187656547E+03 0.16830E-03 -0.86624E-05 3629 0.261E-02 0.437E-02 RMM: 9 -0.333187660968E+03 -0.44203E-05 -0.25065E-05 2615 0.146E-02 9696 T= 4842. E= 0.66827424E+03 F= 0.62821990E+03 E0= 0.65663816E+03 EK= 0.40054E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333621756638E+03 -0.43410E+00 -0.14352E-01 8436 0.205E+01 0.270E-01 RMM: 2 -0.333644266981E+03 -0.22510E-01 -0.10452E-01 5149 0.765E-01 0.142E+00 RMM: 3 -0.333629972475E+03 0.14295E-01 -0.11894E-02 5477 0.241E-01 0.261E-01 RMM: 4 -0.333629498162E+03 0.47431E-03 -0.13414E-03 4704 0.813E-02 0.138E-01 RMM: 5 -0.333629390177E+03 0.10799E-03 -0.25940E-04 3948 0.440E-02 0.110E-01 RMM: 6 -0.333629333881E+03 0.56296E-04 -0.90065E-05 3704 0.269E-02 0.671E-02 RMM: 7 -0.333629364837E+03 -0.30956E-04 -0.62206E-05 3450 0.222E-02 0.101E-01 RMM: 8 -0.333629297767E+03 0.67070E-04 -0.31162E-05 2866 0.180E-02 0.233E-02 RMM: 9 -0.333629297669E+03 0.97378E-07 -0.10643E-05 2459 0.918E-03 9697 T= 4505. E= 0.66520966E+03 F= 0.62793960E+03 E0= 0.65638854E+03 EK= 0.37270E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.334414882401E+03 -0.78558E+00 -0.13279E-01 8376 0.205E+01 0.227E-01 RMM: 2 -0.334426032544E+03 -0.11150E-01 -0.72454E-02 5155 0.609E-01 0.895E-01 RMM: 3 -0.334420374905E+03 0.56576E-02 -0.74786E-03 5558 0.178E-01 0.188E-01 RMM: 4 -0.334420270688E+03 0.10422E-03 -0.80488E-04 4639 0.655E-02 0.180E-01 RMM: 5 -0.334420071995E+03 0.19869E-03 -0.22273E-04 3889 0.393E-02 0.108E-01 RMM: 6 -0.334420028490E+03 0.43504E-04 -0.93979E-05 3708 0.270E-02 0.772E-02 RMM: 7 -0.334420059958E+03 -0.31468E-04 -0.70444E-05 3553 0.231E-02 0.104E-01 RMM: 8 -0.334419989816E+03 0.70143E-04 -0.34899E-05 3021 0.187E-02 0.261E-02 RMM: 9 -0.334419989430E+03 0.38521E-06 -0.99324E-06 2465 0.883E-03 9698 T= 4688. E= 0.66610036E+03 F= 0.62731476E+03 E0= 0.65580089E+03 EK= 0.38786E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335564960396E+03 -0.11450E+01 -0.14192E-01 8400 0.215E+01 0.222E-01 RMM: 2 -0.335575517808E+03 -0.10557E-01 -0.75650E-02 4984 0.640E-01 0.825E-01 RMM: 3 -0.335570791409E+03 0.47264E-02 -0.83853E-03 5629 0.182E-01 0.146E-01 RMM: 4 -0.335570856960E+03 -0.65551E-04 -0.81990E-04 4645 0.672E-02 0.215E-01 RMM: 5 -0.335570579372E+03 0.27759E-03 -0.19435E-04 3880 0.351E-02 0.980E-02 RMM: 6 -0.335570518722E+03 0.60650E-04 -0.48758E-05 3224 0.207E-02 0.369E-02 RMM: 7 -0.335570536600E+03 -0.17878E-04 -0.28642E-05 2665 0.155E-02 9699 T= 5393. E= 0.67093811E+03 F= 0.62632657E+03 E0= 0.65485805E+03 EK= 0.44612E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.337010131476E+03 -0.14396E+01 -0.16774E-01 8256 0.235E+01 0.257E-01 RMM: 2 -0.337019817893E+03 -0.96864E-02 -0.88359E-02 5109 0.719E-01 0.659E-01 RMM: 3 -0.337017112025E+03 0.27059E-02 -0.95913E-03 5628 0.194E-01 0.221E-01 RMM: 4 -0.337017251395E+03 -0.13937E-03 -0.10057E-03 4670 0.762E-02 0.298E-01 RMM: 5 -0.337016642761E+03 0.60863E-03 -0.32889E-04 3970 0.468E-02 0.690E-02 RMM: 6 -0.337016616643E+03 0.26118E-04 -0.41708E-05 3081 0.184E-02 0.454E-02 RMM: 7 -0.337016615286E+03 0.13567E-05 -0.31022E-05 2624 0.160E-02 9700 T= 6567. E= 0.67935628E+03 F= 0.62503365E+03 E0= 0.65361862E+03 EK= 0.54323E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338588795523E+03 -0.15722E+01 -0.20714E-01 8316 0.258E+01 0.319E-01 RMM: 2 -0.338604165547E+03 -0.15370E-01 -0.12448E-01 5206 0.875E-01 0.974E-01 RMM: 3 -0.338598312416E+03 0.58531E-02 -0.12789E-02 5538 0.235E-01 0.253E-01 RMM: 4 -0.338598474369E+03 -0.16195E-03 -0.15196E-03 4779 0.940E-02 0.336E-01 RMM: 5 -0.338597705755E+03 0.76861E-03 -0.45118E-04 4339 0.549E-02 0.109E-01 RMM: 6 -0.338597628458E+03 0.77297E-04 -0.79692E-05 3551 0.233E-02 0.421E-02 RMM: 7 -0.338597616828E+03 0.11630E-04 -0.25319E-05 2562 0.149E-02 9701 T= 7908. E= 0.68901886E+03 F= 0.62359537E+03 E0= 0.65224165E+03 EK= 0.65423E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340062011380E+03 -0.14644E+01 -0.23848E-01 8112 0.276E+01 0.317E-01 RMM: 2 -0.340078211616E+03 -0.16200E-01 -0.14172E-01 5227 0.929E-01 0.893E-01 RMM: 3 -0.340073264072E+03 0.49475E-02 -0.13915E-02 5582 0.239E-01 0.254E-01 RMM: 4 -0.340073364072E+03 -0.99999E-04 -0.15049E-03 4765 0.959E-02 0.337E-01 RMM: 5 -0.340072563104E+03 0.80097E-03 -0.46058E-04 4354 0.552E-02 0.893E-02 RMM: 6 -0.340072516063E+03 0.47041E-04 -0.67934E-05 3457 0.212E-02 0.535E-02 RMM: 7 -0.340072494374E+03 0.21689E-04 -0.36969E-05 2645 0.178E-02 0.580E-02 RMM: 8 -0.340072469648E+03 0.24726E-04 -0.32620E-05 2809 0.166E-02 0.353E-02 RMM: 9 -0.340072478568E+03 -0.89200E-05 -0.29989E-05 2596 0.152E-02 9702 T= 8750. E= 0.69464460E+03 F= 0.62225644E+03 E0= 0.65096724E+03 EK= 0.72388E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341224943747E+03 -0.11525E+01 -0.24570E-01 8040 0.279E+01 0.297E-01 RMM: 2 -0.341239187262E+03 -0.14244E-01 -0.12693E-01 5189 0.872E-01 0.840E-01 RMM: 3 -0.341234694903E+03 0.44924E-02 -0.12732E-02 5708 0.221E-01 0.222E-01 RMM: 4 -0.341234980444E+03 -0.28554E-03 -0.13333E-03 4782 0.891E-02 0.346E-01 RMM: 5 -0.341234189523E+03 0.79092E-03 -0.43396E-04 4291 0.541E-02 0.970E-02 RMM: 6 -0.341234127490E+03 0.62034E-04 -0.64821E-05 3410 0.217E-02 0.331E-02 RMM: 7 -0.341234126886E+03 0.60376E-06 -0.19160E-05 2517 0.132E-02 9703 T= 8509. E= 0.69162547E+03 F= 0.62123107E+03 E0= 0.65000155E+03 EK= 0.70394E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342034799268E+03 -0.80067E+00 -0.22394E-01 7716 0.266E+01 0.213E-01 RMM: 2 -0.342046243124E+03 -0.11444E-01 -0.99343E-02 5173 0.743E-01 0.692E-01 RMM: 3 -0.342042708544E+03 0.35346E-02 -0.91955E-03 5924 0.184E-01 0.165E-01 RMM: 4 -0.342042577411E+03 0.13113E-03 -0.64467E-04 4636 0.628E-02 0.181E-01 RMM: 5 -0.342042357522E+03 0.21989E-03 -0.18329E-04 3896 0.360E-02 0.864E-02 RMM: 6 -0.342042367547E+03 -0.10026E-04 -0.97520E-05 3722 0.274E-02 9704 T= 7370. E= 0.68154121E+03 F= 0.62056774E+03 E0= 0.64938919E+03 EK= 0.60973E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342614967588E+03 -0.57261E+00 -0.19963E-01 7728 0.243E+01 0.324E-01 RMM: 2 -0.342647225694E+03 -0.32258E-01 -0.12798E-01 5010 0.877E-01 0.181E+00 RMM: 3 -0.342624961662E+03 0.22264E-01 -0.16557E-02 5391 0.299E-01 0.281E-01 RMM: 4 -0.342624476772E+03 0.48489E-03 -0.15943E-03 4835 0.818E-02 0.139E-01 RMM: 5 -0.342624361017E+03 0.11576E-03 -0.34492E-04 4383 0.534E-02 0.111E-01 RMM: 6 -0.342624355630E+03 0.53866E-05 -0.16613E-04 3880 0.345E-02 9705 T= 6048. E= 0.67017679E+03 F= 0.62014606E+03 E0= 0.64900828E+03 EK= 0.50031E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343151052155E+03 -0.52669E+00 -0.16422E-01 8004 0.221E+01 0.525E-01 RMM: 2 -0.343221585875E+03 -0.70534E-01 -0.12086E-01 5250 0.881E-01 0.304E+00 RMM: 3 -0.343158851608E+03 0.62734E-01 -0.26904E-02 5328 0.426E-01 0.538E-01 RMM: 4 -0.343156721511E+03 0.21301E-02 -0.31784E-03 5305 0.120E-01 0.139E-01 RMM: 5 -0.343156665718E+03 0.55794E-04 -0.41645E-04 4101 0.493E-02 0.154E-01 RMM: 6 -0.343156532195E+03 0.13352E-03 -0.21221E-04 3888 0.413E-02 0.858E-02 RMM: 7 -0.343156690894E+03 -0.15870E-03 -0.17586E-04 3881 0.350E-02 0.173E-01 RMM: 8 -0.343156508088E+03 0.18281E-03 -0.86513E-05 3606 0.279E-02 0.502E-02 RMM: 9 -0.343156503462E+03 0.46252E-05 -0.19597E-05 2546 0.127E-02 9706 T= 5059. E= 0.66164690E+03 F= 0.61979231E+03 E0= 0.64868377E+03 EK= 0.41855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343760376990E+03 -0.60387E+00 -0.13881E-01 7884 0.206E+01 0.371E-01 RMM: 2 -0.343798546412E+03 -0.38169E-01 -0.87209E-02 5215 0.708E-01 0.215E+00 RMM: 3 -0.343766577341E+03 0.31969E-01 -0.15868E-02 5346 0.317E-01 0.403E-01 RMM: 4 -0.343765470583E+03 0.11068E-02 -0.19670E-03 4811 0.936E-02 0.123E-01 RMM: 5 -0.343765430237E+03 0.40346E-04 -0.34075E-04 4265 0.511E-02 0.142E-01 RMM: 6 -0.343765307674E+03 0.12256E-03 -0.14477E-04 3868 0.336E-02 0.707E-02 RMM: 7 -0.343765359409E+03 -0.51735E-04 -0.10008E-04 3821 0.273E-02 0.113E-01 RMM: 8 -0.343765278200E+03 0.81209E-04 -0.42744E-05 3177 0.205E-02 0.312E-02 RMM: 9 -0.343765274366E+03 0.38338E-05 -0.86494E-06 2467 0.838E-03 9707 T= 4565. E= 0.65714427E+03 F= 0.61937724E+03 E0= 0.64828947E+03 EK= 0.37767E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344498049116E+03 -0.73277E+00 -0.13022E-01 8424 0.201E+01 0.253E-01 RMM: 2 -0.344511860356E+03 -0.13811E-01 -0.62847E-02 5145 0.575E-01 0.115E+00 RMM: 3 -0.344502673079E+03 0.91873E-02 -0.74960E-03 5405 0.195E-01 0.228E-01 RMM: 4 -0.344502428302E+03 0.24478E-03 -0.98737E-04 4640 0.704E-02 0.161E-01 RMM: 5 -0.344502373762E+03 0.54540E-04 -0.35624E-04 4353 0.523E-02 0.158E-01 RMM: 6 -0.344502232628E+03 0.14113E-03 -0.13393E-04 3874 0.314E-02 0.640E-02 RMM: 7 -0.344502265054E+03 -0.32426E-04 -0.69488E-05 3544 0.247E-02 0.953E-02 RMM: 8 -0.344502207766E+03 0.57287E-04 -0.31208E-05 2988 0.179E-02 0.238E-02 RMM: 9 -0.344502213081E+03 -0.53152E-05 -0.98415E-06 2469 0.884E-03 9708 T= 4569. E= 0.65664318E+03 F= 0.61884154E+03 E0= 0.64776604E+03 EK= 0.37802E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345344695745E+03 -0.84249E+00 -0.13828E-01 8892 0.207E+01 0.236E-01 RMM: 2 -0.345354327997E+03 -0.96323E-02 -0.63432E-02 5211 0.561E-01 0.855E-01 RMM: 3 -0.345349126996E+03 0.52010E-02 -0.63913E-03 5538 0.169E-01 0.175E-01 RMM: 4 -0.345349231392E+03 -0.10440E-03 -0.88014E-04 4618 0.690E-02 0.232E-01 RMM: 5 -0.345348911934E+03 0.31946E-03 -0.22552E-04 3883 0.377E-02 0.103E-01 RMM: 6 -0.345348849162E+03 0.62772E-04 -0.70628E-05 3465 0.244E-02 0.436E-02 RMM: 7 -0.345348881112E+03 -0.31950E-04 -0.34047E-05 2875 0.171E-02 0.808E-02 RMM: 8 -0.345348840502E+03 0.40610E-04 -0.21662E-05 2576 0.154E-02 0.179E-02 RMM: 9 -0.345348842602E+03 -0.21003E-05 -0.68443E-06 2448 0.727E-03 9709 T= 5064. E= 0.66008683E+03 F= 0.61819380E+03 E0= 0.64712199E+03 EK= 0.41893E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346207545843E+03 -0.85871E+00 -0.16948E-01 9048 0.222E+01 0.254E-01 RMM: 2 -0.346217232737E+03 -0.96869E-02 -0.86225E-02 5320 0.642E-01 0.679E-01 RMM: 3 -0.346213898642E+03 0.33341E-02 -0.74352E-03 5677 0.169E-01 0.196E-01 RMM: 4 -0.346214131806E+03 -0.23316E-03 -0.96625E-04 4630 0.753E-02 0.301E-01 RMM: 5 -0.346213525472E+03 0.60633E-03 -0.33039E-04 3904 0.460E-02 0.822E-02 RMM: 6 -0.346213486141E+03 0.39331E-04 -0.46531E-05 3176 0.195E-02 0.440E-02 RMM: 7 -0.346213493646E+03 -0.75056E-05 -0.36521E-05 2722 0.167E-02 9710 T= 6027. E= 0.66737906E+03 F= 0.61751745E+03 E0= 0.64643901E+03 EK= 0.49862E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346911161977E+03 -0.69768E+00 -0.21879E-01 9168 0.243E+01 0.298E-01 RMM: 2 -0.346924970939E+03 -0.13809E-01 -0.12287E-01 5430 0.775E-01 0.797E-01 RMM: 3 -0.346920414497E+03 0.45564E-02 -0.10249E-02 5724 0.200E-01 0.259E-01 RMM: 4 -0.346920566609E+03 -0.15211E-03 -0.13798E-03 4653 0.895E-02 0.341E-01 RMM: 5 -0.346919765043E+03 0.80157E-03 -0.46052E-04 4129 0.551E-02 0.760E-02 RMM: 6 -0.346919735849E+03 0.29194E-04 -0.49068E-05 3224 0.192E-02 0.520E-02 RMM: 7 -0.346919724109E+03 0.11740E-04 -0.34347E-05 2651 0.160E-02 9711 T= 7286. E= 0.67725865E+03 F= 0.61698536E+03 E0= 0.64588707E+03 EK= 0.60273E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347217076717E+03 -0.29734E+00 -0.27732E-01 9216 0.263E+01 0.324E-01 RMM: 2 -0.347236083785E+03 -0.19007E-01 -0.16958E-01 5452 0.899E-01 0.903E-01 RMM: 3 -0.347230106815E+03 0.59770E-02 -0.13352E-02 5772 0.227E-01 0.275E-01 RMM: 4 -0.347230205803E+03 -0.98987E-04 -0.16300E-03 4666 0.968E-02 0.361E-01 RMM: 5 -0.347229317959E+03 0.88784E-03 -0.52894E-04 4459 0.588E-02 0.977E-02 RMM: 6 -0.347229262310E+03 0.55648E-04 -0.71910E-05 3502 0.218E-02 0.527E-02 RMM: 7 -0.347229247028E+03 0.15282E-04 -0.35780E-05 2663 0.159E-02 9712 T= 8342. E= 0.68585027E+03 F= 0.61683797E+03 E0= 0.64570667E+03 EK= 0.69012E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346938964901E+03 0.29030E+00 -0.31750E-01 8952 0.273E+01 0.315E-01 RMM: 2 -0.346962002558E+03 -0.23038E-01 -0.18373E-01 5513 0.905E-01 0.106E+00 RMM: 3 -0.346953123821E+03 0.88787E-02 -0.12659E-02 5639 0.230E-01 0.248E-01 RMM: 4 -0.346953380262E+03 -0.25644E-03 -0.16967E-03 4734 0.969E-02 0.349E-01 RMM: 5 -0.346952554985E+03 0.82528E-03 -0.47052E-04 4214 0.545E-02 0.950E-02 RMM: 6 -0.346952507821E+03 0.47165E-04 -0.78822E-05 3553 0.232E-02 0.586E-02 RMM: 7 -0.346952510223E+03 -0.24024E-05 -0.55813E-05 3244 0.189E-02 9713 T= 8549. E= 0.68799579E+03 F= 0.61727147E+03 E0= 0.64609604E+03 EK= 0.70724E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346081322279E+03 0.87119E+00 -0.32641E-01 8604 0.267E+01 0.236E-01 RMM: 2 -0.346099913516E+03 -0.18591E-01 -0.17030E-01 5907 0.825E-01 0.703E-01 RMM: 3 -0.346094839901E+03 0.50736E-02 -0.86555E-03 5443 0.208E-01 0.192E-01 RMM: 4 -0.346095062108E+03 -0.22221E-03 -0.10303E-03 4732 0.738E-02 0.270E-01 RMM: 5 -0.346094583458E+03 0.47865E-03 -0.28414E-04 3935 0.429E-02 0.894E-02 RMM: 6 -0.346094560999E+03 0.22459E-04 -0.80018E-05 3550 0.248E-02 0.711E-02 RMM: 7 -0.346094591788E+03 -0.30789E-04 -0.54372E-05 3271 0.199E-02 0.959E-02 RMM: 8 -0.346094533987E+03 0.57801E-04 -0.33961E-05 2888 0.184E-02 0.223E-02 RMM: 9 -0.346094539006E+03 -0.50190E-05 -0.12063E-05 2472 0.981E-03 9714 T= 7755. E= 0.68244048E+03 F= 0.61828958E+03 E0= 0.64706543E+03 EK= 0.64151E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344862786050E+03 0.12317E+01 -0.31612E-01 8712 0.249E+01 0.205E-01 RMM: 2 -0.344884097879E+03 -0.21312E-01 -0.18278E-01 5578 0.893E-01 0.823E-01 RMM: 3 -0.344877876995E+03 0.62209E-02 -0.11233E-02 5714 0.217E-01 0.203E-01 RMM: 4 -0.344877581478E+03 0.29552E-03 -0.84212E-04 4738 0.650E-02 0.144E-01 RMM: 5 -0.344877427557E+03 0.15392E-03 -0.22923E-04 3961 0.428E-02 0.920E-02 RMM: 6 -0.344877483087E+03 -0.55530E-04 -0.14721E-04 3880 0.324E-02 0.133E-01 RMM: 7 -0.344877428478E+03 0.54609E-04 -0.98011E-05 3865 0.277E-02 0.103E-01 RMM: 8 -0.344877359562E+03 0.68917E-04 -0.33553E-05 2958 0.173E-02 0.290E-02 RMM: 9 -0.344877364477E+03 -0.49153E-05 -0.18084E-05 2489 0.122E-02 9715 T= 6492. E= 0.67338445E+03 F= 0.61967807E+03 E0= 0.64840703E+03 EK= 0.53706E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343577525669E+03 0.12998E+01 -0.26214E-01 8880 0.227E+01 0.195E-01 RMM: 2 -0.343597131198E+03 -0.19606E-01 -0.16956E-01 5455 0.910E-01 0.795E-01 RMM: 3 -0.343592052484E+03 0.50787E-02 -0.12812E-02 6002 0.207E-01 0.191E-01 RMM: 4 -0.343591606052E+03 0.44643E-03 -0.62842E-04 4762 0.568E-02 0.138E-01 RMM: 5 -0.343591495340E+03 0.11071E-03 -0.16019E-04 3878 0.355E-02 0.115E-01 RMM: 6 -0.343591607796E+03 -0.11246E-03 -0.18188E-04 3882 0.355E-02 0.185E-01 RMM: 7 -0.343591399749E+03 0.20805E-03 -0.17838E-04 3892 0.386E-02 0.843E-02 RMM: 8 -0.343591358952E+03 0.40797E-04 -0.38620E-05 2934 0.181E-02 0.389E-02 RMM: 9 -0.343591363713E+03 -0.47614E-05 -0.33672E-05 2519 0.172E-02 9716 T= 5376. E= 0.66562238E+03 F= 0.62115071E+03 E0= 0.64983937E+03 EK= 0.44472E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342441789192E+03 0.11496E+01 -0.20430E-01 8988 0.211E+01 0.192E-01 RMM: 2 -0.342457368049E+03 -0.15579E-01 -0.13938E-01 5288 0.855E-01 0.699E-01 RMM: 3 -0.342453805012E+03 0.35630E-02 -0.12522E-02 6032 0.201E-01 0.191E-01 RMM: 4 -0.342453349531E+03 0.45548E-03 -0.55128E-04 4581 0.559E-02 0.139E-01 RMM: 5 -0.342453225233E+03 0.12430E-03 -0.16678E-04 3892 0.376E-02 0.114E-01 RMM: 6 -0.342453368739E+03 -0.14351E-03 -0.22600E-04 3928 0.402E-02 0.195E-01 RMM: 7 -0.342453142612E+03 0.22613E-03 -0.16602E-04 3883 0.364E-02 0.847E-02 RMM: 8 -0.342453102495E+03 0.40117E-04 -0.34174E-05 2833 0.171E-02 0.385E-02 RMM: 9 -0.342453108239E+03 -0.57438E-05 -0.31094E-05 2522 0.164E-02 9717 T= 4697. E= 0.66134501E+03 F= 0.62248954E+03 E0= 0.65114547E+03 EK= 0.38855E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341557040527E+03 0.89606E+00 -0.15599E-01 9036 0.203E+01 0.183E-01 RMM: 2 -0.341567486739E+03 -0.10446E-01 -0.87855E-02 5447 0.645E-01 0.657E-01 RMM: 3 -0.341564044515E+03 0.34422E-02 -0.65946E-03 5853 0.154E-01 0.155E-01 RMM: 4 -0.341563850689E+03 0.19383E-03 -0.48021E-04 4518 0.528E-02 0.138E-01 RMM: 5 -0.341563718390E+03 0.13230E-03 -0.21971E-04 3886 0.419E-02 0.857E-02 RMM: 6 -0.341563818666E+03 -0.10028E-03 -0.13826E-04 3875 0.312E-02 0.149E-01 RMM: 7 -0.341563705282E+03 0.11338E-03 -0.78052E-05 3631 0.259E-02 0.770E-02 RMM: 8 -0.341563668384E+03 0.36898E-04 -0.22973E-05 2690 0.146E-02 0.260E-02 RMM: 9 -0.341563673949E+03 -0.55649E-05 -0.14646E-05 2467 0.111E-02 9718 T= 4517. E= 0.66095683E+03 F= 0.62358670E+03 E0= 0.65221752E+03 EK= 0.37370E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340922535019E+03 0.64113E+00 -0.14415E-01 8592 0.206E+01 0.192E-01 RMM: 2 -0.340930148459E+03 -0.76134E-02 -0.69121E-02 5290 0.564E-01 0.543E-01 RMM: 3 -0.340927744557E+03 0.24039E-02 -0.55372E-03 5799 0.141E-01 0.143E-01 RMM: 4 -0.340927814965E+03 -0.70409E-04 -0.58525E-04 4611 0.606E-02 0.215E-01 RMM: 5 -0.340927510554E+03 0.30441E-03 -0.22450E-04 3883 0.396E-02 0.850E-02 RMM: 6 -0.340927507918E+03 0.26360E-05 -0.93487E-05 3690 0.268E-02 9719 T= 4847. E= 0.66452483E+03 F= 0.62442793E+03 E0= 0.65303923E+03 EK= 0.40097E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340466516509E+03 0.46099E+00 -0.15514E-01 8376 0.219E+01 0.342E-01 RMM: 2 -0.340489283793E+03 -0.22767E-01 -0.67419E-02 5327 0.594E-01 0.166E+00 RMM: 3 -0.340470622236E+03 0.18662E-01 -0.10173E-02 5355 0.244E-01 0.266E-01 RMM: 4 -0.340470514971E+03 0.10727E-03 -0.15282E-03 4621 0.859E-02 0.246E-01 RMM: 5 -0.340470249244E+03 0.26573E-03 -0.31008E-04 3896 0.428E-02 0.172E-01 RMM: 6 -0.340470062974E+03 0.18627E-03 -0.13594E-04 3876 0.335E-02 0.636E-02 RMM: 7 -0.340470088397E+03 -0.25423E-04 -0.63557E-05 3435 0.216E-02 0.901E-02 RMM: 8 -0.340470047321E+03 0.41076E-04 -0.35848E-05 2943 0.182E-02 0.450E-02 RMM: 9 -0.340470037909E+03 0.94120E-05 -0.15623E-05 2508 0.119E-02 9720 T= 5697. E= 0.67220660E+03 F= 0.62507874E+03 E0= 0.65367579E+03 EK= 0.47128E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.340030349200E+03 0.43970E+00 -0.18150E-01 8376 0.241E+01 0.351E-01 RMM: 2 -0.340056432174E+03 -0.26083E-01 -0.94933E-02 5307 0.734E-01 0.171E+00 RMM: 3 -0.340036819728E+03 0.19612E-01 -0.12252E-02 5375 0.262E-01 0.306E-01 RMM: 4 -0.340036547299E+03 0.27243E-03 -0.20464E-03 4786 0.103E-01 0.259E-01 RMM: 5 -0.340036235693E+03 0.31161E-03 -0.40257E-04 4108 0.531E-02 0.165E-01 RMM: 6 -0.340036041866E+03 0.19383E-03 -0.10430E-04 3809 0.282E-02 0.364E-02 RMM: 7 -0.340036036330E+03 0.55362E-05 -0.17478E-05 2540 0.120E-02 9721 T= 6979. E= 0.68342225E+03 F= 0.62568961E+03 E0= 0.65427746E+03 EK= 0.57733E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339395756778E+03 0.64029E+00 -0.21918E-01 8700 0.265E+01 0.349E-01 RMM: 2 -0.339414753268E+03 -0.18996E-01 -0.12579E-01 5367 0.852E-01 0.122E+00 RMM: 3 -0.339404929741E+03 0.98235E-02 -0.12241E-02 5515 0.239E-01 0.263E-01 RMM: 4 -0.339405174073E+03 -0.24433E-03 -0.18534E-03 4749 0.104E-01 0.361E-01 RMM: 5 -0.339404300496E+03 0.87358E-03 -0.52026E-04 4474 0.589E-02 0.117E-01 RMM: 6 -0.339404217703E+03 0.82793E-04 -0.84445E-05 3640 0.232E-02 0.576E-02 RMM: 7 -0.339404205898E+03 0.11804E-04 -0.56910E-05 3321 0.199E-02 9722 T= 8281. E= 0.69498861E+03 F= 0.62648295E+03 E0= 0.65506765E+03 EK= 0.68506E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338371068031E+03 0.10331E+01 -0.24712E-01 8616 0.280E+01 0.350E-01 RMM: 2 -0.338389265001E+03 -0.18197E-01 -0.14307E-01 5365 0.903E-01 0.108E+00 RMM: 3 -0.338381705319E+03 0.75597E-02 -0.12960E-02 5624 0.235E-01 0.283E-01 RMM: 4 -0.338381959358E+03 -0.25404E-03 -0.19181E-03 4809 0.106E-01 0.388E-01 RMM: 5 -0.338380976859E+03 0.98250E-03 -0.61802E-04 4538 0.653E-02 0.104E-01 RMM: 6 -0.338380911169E+03 0.65690E-04 -0.69565E-05 3506 0.212E-02 0.503E-02 RMM: 7 -0.338380906624E+03 0.45445E-05 -0.26755E-05 2596 0.149E-02 9723 T= 8857. E= 0.70093254E+03 F= 0.62765869E+03 E0= 0.65624721E+03 EK= 0.73274E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336947911074E+03 0.14330E+01 -0.25718E-01 7884 0.278E+01 0.264E-01 RMM: 2 -0.336966968939E+03 -0.19058E-01 -0.15686E-01 5118 0.898E-01 0.917E-01 RMM: 3 -0.336960713942E+03 0.62550E-02 -0.14815E-02 5632 0.249E-01 0.202E-01 RMM: 4 -0.336960857762E+03 -0.14382E-03 -0.12406E-03 4870 0.810E-02 0.279E-01 RMM: 5 -0.336960329780E+03 0.52798E-03 -0.27648E-04 3900 0.395E-02 0.108E-01 RMM: 6 -0.336960271409E+03 0.58371E-04 -0.90785E-05 3621 0.258E-02 0.666E-02 RMM: 7 -0.336960305108E+03 -0.33699E-04 -0.10704E-04 3887 0.246E-02 0.105E-01 RMM: 8 -0.336960236226E+03 0.68883E-04 -0.58103E-05 3385 0.209E-02 0.313E-02 RMM: 9 -0.336960241615E+03 -0.53894E-05 -0.18402E-05 2525 0.130E-02 9724 T= 8274. E= 0.69768186E+03 F= 0.62923190E+03 E0= 0.65783074E+03 EK= 0.68450E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335370093204E+03 0.15901E+01 -0.22958E-01 7800 0.260E+01 0.229E-01 RMM: 2 -0.335388114306E+03 -0.18021E-01 -0.14919E-01 5220 0.872E-01 0.866E-01 RMM: 3 -0.335382133218E+03 0.59811E-02 -0.12692E-02 5835 0.223E-01 0.183E-01 RMM: 4 -0.335381996740E+03 0.13648E-03 -0.90353E-04 4746 0.713E-02 0.206E-01 RMM: 5 -0.335381727428E+03 0.26931E-03 -0.26854E-04 4041 0.460E-02 0.983E-02 RMM: 6 -0.335381721644E+03 0.57841E-05 -0.13260E-04 3877 0.313E-02 9725 T= 6959. E= 0.68854414E+03 F= 0.63097221E+03 E0= 0.65958735E+03 EK= 0.57572E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333973231684E+03 0.14085E+01 -0.19027E-01 7908 0.235E+01 0.345E-01 RMM: 2 -0.334011859471E+03 -0.38628E-01 -0.15125E-01 5364 0.917E-01 0.194E+00 RMM: 3 -0.333985273576E+03 0.26586E-01 -0.16758E-02 5362 0.304E-01 0.356E-01 RMM: 4 -0.333984472025E+03 0.80155E-03 -0.18121E-03 4844 0.847E-02 0.159E-01 RMM: 5 -0.333984313235E+03 0.15879E-03 -0.25553E-04 3948 0.464E-02 0.127E-01 RMM: 6 -0.333984295810E+03 0.17426E-04 -0.18470E-04 3897 0.376E-02 9726 T= 5665. E= 0.67941404E+03 F= 0.63254683E+03 E0= 0.66118468E+03 EK= 0.46867E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333021637586E+03 0.96268E+00 -0.15988E-01 8136 0.214E+01 0.717E-01 RMM: 2 -0.333148834743E+03 -0.12720E+00 -0.18195E-01 5371 0.106E+00 0.413E+00 RMM: 3 -0.333032268106E+03 0.11657E+00 -0.45031E-02 5147 0.562E-01 0.764E-01 RMM: 4 -0.333027958135E+03 0.43100E-02 -0.56910E-03 5328 0.171E-01 0.179E-01 RMM: 5 -0.333027937382E+03 0.20752E-04 -0.69381E-04 4514 0.585E-02 0.206E-01 RMM: 6 -0.333027701170E+03 0.23621E-03 -0.33058E-04 4131 0.516E-02 0.105E-01 RMM: 7 -0.333027836873E+03 -0.13570E-03 -0.21203E-04 3902 0.389E-02 0.172E-01 RMM: 8 -0.333027693572E+03 0.14330E-03 -0.97603E-05 3805 0.292E-02 0.860E-02 RMM: 9 -0.333027656359E+03 0.37213E-04 -0.30267E-05 2948 0.160E-02 0.410E-02 RMM: 10 -0.333027680403E+03 -0.24044E-04 -0.25223E-05 2586 0.145E-02 0.589E-02 RMM: 11 -0.333027667772E+03 0.12631E-04 -0.17719E-05 2525 0.135E-02 9727 T= 4816. E= 0.67353420E+03 F= 0.63369693E+03 E0= 0.66235697E+03 EK= 0.39837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332639533898E+03 0.38815E+00 -0.14079E-01 8256 0.201E+01 0.521E-01 RMM: 2 -0.332713234139E+03 -0.73700E-01 -0.13251E-01 5379 0.854E-01 0.306E+00 RMM: 3 -0.332649346527E+03 0.63888E-01 -0.28211E-02 5286 0.427E-01 0.631E-01 RMM: 4 -0.332646579020E+03 0.27675E-02 -0.39496E-03 5326 0.139E-01 0.187E-01 RMM: 5 -0.332646480615E+03 0.98406E-04 -0.61042E-04 4559 0.627E-02 0.181E-01 RMM: 6 -0.332646250066E+03 0.23055E-03 -0.22542E-04 3882 0.418E-02 0.800E-02 RMM: 7 -0.332646342089E+03 -0.92023E-04 -0.13831E-04 3867 0.309E-02 0.144E-01 RMM: 8 -0.332646206345E+03 0.13574E-03 -0.76586E-05 3656 0.268E-02 0.416E-02 RMM: 9 -0.332646197020E+03 0.93247E-05 -0.12836E-05 2510 0.109E-02 9728 T= 4510. E= 0.67159486E+03 F= 0.63428295E+03 E0= 0.66297285E+03 EK= 0.37312E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.332875470965E+03 -0.22926E+00 -0.14590E-01 8928 0.199E+01 0.319E-01 RMM: 2 -0.332897912610E+03 -0.22442E-01 -0.10136E-01 5451 0.674E-01 0.147E+00 RMM: 3 -0.332882401316E+03 0.15511E-01 -0.96630E-03 5376 0.226E-01 0.257E-01 RMM: 4 -0.332882216280E+03 0.18504E-03 -0.14664E-03 4662 0.842E-02 0.218E-01 RMM: 5 -0.332882093955E+03 0.12233E-03 -0.35881E-04 3978 0.477E-02 0.191E-01 RMM: 6 -0.332881871760E+03 0.22219E-03 -0.16790E-04 3888 0.369E-02 0.693E-02 RMM: 7 -0.332881923745E+03 -0.51984E-04 -0.92358E-05 3672 0.255E-02 0.111E-01 RMM: 8 -0.332881856047E+03 0.67698E-04 -0.48811E-05 3239 0.221E-02 0.483E-02 RMM: 9 -0.332881843884E+03 0.12163E-04 -0.13270E-05 2510 0.108E-02 9729 T= 4754. E= 0.67358401E+03 F= 0.63425367E+03 E0= 0.66297714E+03 EK= 0.39330E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.333708639375E+03 -0.82678E+00 -0.17905E-01 9180 0.209E+01 0.285E-01 RMM: 2 -0.333727220735E+03 -0.18581E-01 -0.12874E-01 5441 0.738E-01 0.109E+00 RMM: 3 -0.333718017683E+03 0.92031E-02 -0.10148E-02 5437 0.218E-01 0.205E-01 RMM: 4 -0.333718121986E+03 -0.10430E-03 -0.13495E-03 4668 0.802E-02 0.253E-01 RMM: 5 -0.333717778324E+03 0.34366E-03 -0.27673E-04 3900 0.401E-02 0.135E-01 RMM: 6 -0.333717661016E+03 0.11731E-03 -0.96431E-05 3687 0.279E-02 0.466E-02 RMM: 7 -0.333717703532E+03 -0.42515E-04 -0.46758E-05 3149 0.191E-02 0.915E-02 RMM: 8 -0.333717657871E+03 0.45661E-04 -0.32226E-05 2743 0.176E-02 0.346E-02 RMM: 9 -0.333717654817E+03 0.30535E-05 -0.12735E-05 2481 0.102E-02 9730 T= 5556. E= 0.67958008E+03 F= 0.63361633E+03 E0= 0.66237854E+03 EK= 0.45964E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.335052879560E+03 -0.13352E+01 -0.26380E-01 9156 0.229E+01 0.327E-01 RMM: 2 -0.335079422345E+03 -0.26543E-01 -0.20495E-01 5359 0.962E-01 0.116E+00 RMM: 3 -0.335069005525E+03 0.10417E-01 -0.16324E-02 5644 0.259E-01 0.219E-01 RMM: 4 -0.335069203345E+03 -0.19782E-03 -0.19042E-03 4809 0.995E-02 0.327E-01 RMM: 5 -0.335068503019E+03 0.70033E-03 -0.48020E-04 4260 0.546E-02 0.103E-01 RMM: 6 -0.335068439191E+03 0.63828E-04 -0.67091E-05 3446 0.208E-02 0.500E-02 RMM: 7 -0.335068438795E+03 0.39574E-06 -0.35993E-05 2855 0.171E-02 9731 T= 6848. E= 0.68910494E+03 F= 0.63245002E+03 E0= 0.66125527E+03 EK= 0.56655E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.336721741548E+03 -0.16533E+01 -0.38629E-01 9120 0.252E+01 0.356E-01 RMM: 2 -0.336755036741E+03 -0.33295E-01 -0.29063E-01 5542 0.113E+00 0.110E+00 RMM: 3 -0.336745431437E+03 0.96053E-02 -0.19521E-02 5760 0.276E-01 0.316E-01 RMM: 4 -0.336745413492E+03 0.17945E-04 -0.22629E-03 4835 0.110E-01 0.372E-01 RMM: 5 -0.336744459615E+03 0.95388E-03 -0.62921E-04 4508 0.628E-02 0.102E-01 RMM: 6 -0.336744407422E+03 0.52193E-04 -0.85557E-05 3632 0.223E-02 0.668E-02 RMM: 7 -0.336744391419E+03 0.16003E-04 -0.58161E-05 3315 0.205E-02 9732 T= 8251. E= 0.69920015E+03 F= 0.63094446E+03 E0= 0.65979627E+03 EK= 0.68256E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.338431299237E+03 -0.16869E+01 -0.51427E-01 9000 0.268E+01 0.375E-01 RMM: 2 -0.338473754127E+03 -0.42455E-01 -0.37972E-01 5560 0.127E+00 0.114E+00 RMM: 3 -0.338462151641E+03 0.11602E-01 -0.23419E-02 5787 0.300E-01 0.301E-01 RMM: 4 -0.338462298125E+03 -0.14648E-03 -0.25437E-03 5027 0.116E-01 0.406E-01 RMM: 5 -0.338461186942E+03 0.11112E-02 -0.69740E-04 4581 0.662E-02 0.123E-01 RMM: 6 -0.338461104528E+03 0.82414E-04 -0.11331E-04 3827 0.253E-02 0.682E-02 RMM: 7 -0.338461092030E+03 0.12498E-04 -0.50097E-05 3181 0.190E-02 9733 T= 8988. E= 0.70374376E+03 F= 0.62938992E+03 E0= 0.65828868E+03 EK= 0.74354E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.339936433195E+03 -0.14753E+01 -0.59258E-01 8964 0.269E+01 0.331E-01 RMM: 2 -0.339979028522E+03 -0.42595E-01 -0.37674E-01 5856 0.122E+00 0.109E+00 RMM: 3 -0.339967331771E+03 0.11697E-01 -0.18925E-02 5636 0.283E-01 0.265E-01 RMM: 4 -0.339967521833E+03 -0.19006E-03 -0.21592E-03 5019 0.105E-01 0.356E-01 RMM: 5 -0.339966692115E+03 0.82972E-03 -0.53191E-04 4421 0.567E-02 0.109E-01 RMM: 6 -0.339966640019E+03 0.52096E-04 -0.11034E-04 3815 0.264E-02 0.739E-02 RMM: 7 -0.339966660368E+03 -0.20349E-04 -0.91471E-05 3863 0.229E-02 0.984E-02 RMM: 8 -0.339966605403E+03 0.54966E-04 -0.56440E-05 3358 0.205E-02 0.408E-02 RMM: 9 -0.339966621694E+03 -0.16291E-04 -0.27542E-05 2727 0.151E-02 9734 T= 8513. E= 0.69847305E+03 F= 0.62804810E+03 E0= 0.65699086E+03 EK= 0.70425E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.341159574518E+03 -0.11930E+01 -0.58550E-01 8748 0.254E+01 0.279E-01 RMM: 2 -0.341194332682E+03 -0.34758E-01 -0.32069E-01 6508 0.114E+00 0.833E-01 RMM: 3 -0.341187609009E+03 0.67237E-02 -0.14103E-02 5481 0.264E-01 0.218E-01 RMM: 4 -0.341187873304E+03 -0.26429E-03 -0.15354E-03 5153 0.899E-02 0.312E-01 RMM: 5 -0.341187271602E+03 0.60170E-03 -0.40235E-04 4241 0.516E-02 0.121E-01 RMM: 6 -0.341187209687E+03 0.61915E-04 -0.13080E-04 3877 0.305E-02 0.753E-02 RMM: 7 -0.341187252487E+03 -0.42799E-04 -0.63634E-05 3470 0.214E-02 0.106E-01 RMM: 8 -0.341187180845E+03 0.71641E-04 -0.31886E-05 2893 0.178E-02 0.238E-02 RMM: 9 -0.341187187925E+03 -0.70797E-05 -0.13404E-05 2481 0.101E-02 9735 T= 7191. E= 0.68649612E+03 F= 0.62700339E+03 E0= 0.65598289E+03 EK= 0.59493E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.342201762827E+03 -0.10146E+01 -0.46660E-01 8868 0.231E+01 0.229E-01 RMM: 2 -0.342231886958E+03 -0.30124E-01 -0.27973E-01 6108 0.108E+00 0.744E-01 RMM: 3 -0.342225821852E+03 0.60651E-02 -0.13330E-02 5849 0.240E-01 0.201E-01 RMM: 4 -0.342225572098E+03 0.24975E-03 -0.95009E-04 4822 0.691E-02 0.180E-01 RMM: 5 -0.342225347000E+03 0.22510E-03 -0.31110E-04 4226 0.499E-02 0.106E-01 RMM: 6 -0.342225488997E+03 -0.14200E-03 -0.24319E-04 3901 0.407E-02 0.183E-01 RMM: 7 -0.342225326957E+03 0.16204E-03 -0.13003E-04 3880 0.325E-02 0.994E-02 RMM: 8 -0.342225265257E+03 0.61700E-04 -0.36364E-05 2997 0.176E-02 0.328E-02 RMM: 9 -0.342225277190E+03 -0.11933E-04 -0.22461E-05 2518 0.135E-02 9736 T= 5821. E= 0.67431417E+03 F= 0.62616128E+03 E0= 0.65516999E+03 EK= 0.48153E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.343218458050E+03 -0.99319E+00 -0.32227E-01 8964 0.211E+01 0.249E-01 RMM: 2 -0.343245172955E+03 -0.26715E-01 -0.22697E-01 5594 0.994E-01 0.942E-01 RMM: 3 -0.343237192851E+03 0.79801E-02 -0.14419E-02 5967 0.234E-01 0.217E-01 RMM: 4 -0.343236778937E+03 0.41391E-03 -0.98895E-04 4793 0.697E-02 0.163E-01 RMM: 5 -0.343236579138E+03 0.19980E-03 -0.33006E-04 4219 0.509E-02 0.111E-01 RMM: 6 -0.343236725045E+03 -0.14591E-03 -0.22106E-04 3889 0.389E-02 0.187E-01 RMM: 7 -0.343236568393E+03 0.15665E-03 -0.13731E-04 3883 0.327E-02 0.113E-01 RMM: 8 -0.343236487996E+03 0.80398E-04 -0.48881E-05 3255 0.200E-02 0.323E-02 RMM: 9 -0.343236498954E+03 -0.10959E-04 -0.24771E-05 2523 0.144E-02 9737 T= 4873. E= 0.66567854E+03 F= 0.62536847E+03 E0= 0.65439997E+03 EK= 0.40310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.344321320935E+03 -0.10848E+01 -0.21382E-01 8916 0.199E+01 0.229E-01 RMM: 2 -0.344338758669E+03 -0.17438E-01 -0.15809E-01 5502 0.823E-01 0.703E-01 RMM: 3 -0.344334056170E+03 0.47025E-02 -0.10691E-02 6176 0.192E-01 0.191E-01 RMM: 4 -0.344333810302E+03 0.24587E-03 -0.76358E-04 4673 0.659E-02 0.197E-01 RMM: 5 -0.344333534163E+03 0.27614E-03 -0.37034E-04 4390 0.537E-02 0.995E-02 RMM: 6 -0.344333686545E+03 -0.15238E-03 -0.24370E-04 3891 0.404E-02 0.181E-01 RMM: 7 -0.344333530892E+03 0.15565E-03 -0.10493E-04 3818 0.301E-02 0.963E-02 RMM: 8 -0.344333470824E+03 0.60067E-04 -0.30156E-05 2917 0.160E-02 0.272E-02 RMM: 9 -0.344333481202E+03 -0.10378E-04 -0.17797E-05 2498 0.119E-02 9738 T= 4452. E= 0.66133611E+03 F= 0.62450756E+03 E0= 0.65355640E+03 EK= 0.36829E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.345554407403E+03 -0.12209E+01 -0.16226E-01 8904 0.197E+01 0.233E-01 RMM: 2 -0.345566345493E+03 -0.11938E-01 -0.11020E-01 5413 0.672E-01 0.609E-01 RMM: 3 -0.345562708349E+03 0.36371E-02 -0.76926E-03 5894 0.170E-01 0.173E-01 RMM: 4 -0.345562845892E+03 -0.13754E-03 -0.87609E-04 4665 0.717E-02 0.265E-01 RMM: 5 -0.345562378010E+03 0.46788E-03 -0.34015E-04 3990 0.488E-02 0.951E-02 RMM: 6 -0.345562398260E+03 -0.20250E-04 -0.12970E-04 3879 0.307E-02 0.111E-01 RMM: 7 -0.345562370842E+03 0.27417E-04 -0.58037E-05 3409 0.220E-02 0.924E-02 RMM: 8 -0.345562316755E+03 0.54088E-04 -0.27731E-05 2922 0.165E-02 0.196E-02 RMM: 9 -0.345562324631E+03 -0.78764E-05 -0.10827E-05 2465 0.906E-03 9739 T= 4541. E= 0.66109137E+03 F= 0.62352189E+03 E0= 0.65258297E+03 EK= 0.37569E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346894668728E+03 -0.13324E+01 -0.15380E-01 8616 0.206E+01 0.254E-01 RMM: 2 -0.346904213004E+03 -0.95443E-02 -0.89352E-02 5293 0.622E-01 0.598E-01 RMM: 3 -0.346901072501E+03 0.31405E-02 -0.70178E-03 5827 0.163E-01 0.191E-01 RMM: 4 -0.346901401690E+03 -0.32919E-03 -0.96681E-04 4640 0.754E-02 0.321E-01 RMM: 5 -0.346900723909E+03 0.67778E-03 -0.38126E-04 3983 0.500E-02 0.875E-02 RMM: 6 -0.346900696886E+03 0.27023E-04 -0.77236E-05 3538 0.243E-02 0.663E-02 RMM: 7 -0.346900709920E+03 -0.13034E-04 -0.40459E-05 3020 0.185E-02 9740 T= 5132. E= 0.66487450E+03 F= 0.62242132E+03 E0= 0.65148910E+03 EK= 0.42453E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348239343303E+03 -0.13386E+01 -0.17485E-01 8640 0.224E+01 0.294E-01 RMM: 2 -0.348248912526E+03 -0.95692E-02 -0.96285E-02 5260 0.687E-01 0.602E-01 RMM: 3 -0.348246343901E+03 0.25686E-02 -0.88727E-03 5704 0.189E-01 0.258E-01 RMM: 4 -0.348246702195E+03 -0.35829E-03 -0.10769E-03 4674 0.773E-02 0.371E-01 RMM: 5 -0.348245766621E+03 0.93557E-03 -0.41122E-04 4083 0.516E-02 0.762E-02 RMM: 6 -0.348245749940E+03 0.16681E-04 -0.66550E-05 3447 0.221E-02 9741 T= 6192. E= 0.67252358E+03 F= 0.62129919E+03 E0= 0.65036716E+03 EK= 0.51224E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349387791340E+03 -0.11420E+01 -0.20999E-01 8604 0.247E+01 0.392E-01 RMM: 2 -0.349411915085E+03 -0.24124E-01 -0.13003E-01 5312 0.830E-01 0.150E+00 RMM: 3 -0.349396625789E+03 0.15289E-01 -0.14625E-02 5415 0.277E-01 0.260E-01 RMM: 4 -0.349397142237E+03 -0.51645E-03 -0.22582E-03 4870 0.108E-01 0.401E-01 RMM: 5 -0.349396101666E+03 0.10406E-02 -0.59714E-04 4573 0.625E-02 0.123E-01 RMM: 6 -0.349396010755E+03 0.90910E-04 -0.98395E-05 3757 0.250E-02 0.559E-02 RMM: 7 -0.349396012159E+03 -0.14033E-05 -0.35159E-05 2936 0.170E-02 9742 T= 7504. E= 0.68243194E+03 F= 0.62035373E+03 E0= 0.64941486E+03 EK= 0.62078E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350075172393E+03 -0.67916E+00 -0.24768E-01 8952 0.267E+01 0.379E-01 RMM: 2 -0.350096809374E+03 -0.21637E-01 -0.14680E-01 5376 0.882E-01 0.127E+00 RMM: 3 -0.350085823582E+03 0.10986E-01 -0.14119E-02 5432 0.262E-01 0.343E-01 RMM: 4 -0.350085951372E+03 -0.12779E-03 -0.24878E-03 4989 0.117E-01 0.392E-01 RMM: 5 -0.350085005199E+03 0.94617E-03 -0.70229E-04 4592 0.707E-02 0.146E-01 RMM: 6 -0.350084860202E+03 0.14500E-03 -0.10536E-04 3811 0.254E-02 0.458E-02 RMM: 7 -0.350084857857E+03 0.23450E-05 -0.30096E-05 2797 0.154E-02 9743 T= 8499. E= 0.69016522E+03 F= 0.61985529E+03 E0= 0.64890289E+03 EK= 0.70310E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350104533552E+03 -0.19673E-01 -0.27483E-01 8664 0.275E+01 0.353E-01 RMM: 2 -0.350127966930E+03 -0.23433E-01 -0.16898E-01 5220 0.924E-01 0.124E+00 RMM: 3 -0.350117124320E+03 0.10843E-01 -0.16010E-02 5561 0.268E-01 0.240E-01 RMM: 4 -0.350117647700E+03 -0.52338E-03 -0.19342E-03 4938 0.101E-01 0.397E-01 RMM: 5 -0.350116624265E+03 0.10234E-02 -0.50764E-04 4451 0.560E-02 0.127E-01 RMM: 6 -0.350116529054E+03 0.95211E-04 -0.11389E-04 3787 0.271E-02 0.583E-02 RMM: 7 -0.350116549407E+03 -0.20353E-04 -0.48475E-05 3214 0.184E-02 0.924E-02 RMM: 8 -0.350116493167E+03 0.56240E-04 -0.60027E-05 3583 0.218E-02 0.329E-02 RMM: 9 -0.350116504533E+03 -0.11365E-04 -0.22783E-05 2625 0.137E-02 9744 T= 8535. E= 0.69061389E+03 F= 0.62000844E+03 E0= 0.64903867E+03 EK= 0.70605E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349517467693E+03 0.59903E+00 -0.26844E-01 8484 0.267E+01 0.237E-01 RMM: 2 -0.349533087317E+03 -0.15620E-01 -0.15612E-01 5271 0.837E-01 0.553E-01 RMM: 3 -0.349529603130E+03 0.34842E-02 -0.11784E-02 5875 0.215E-01 0.181E-01 RMM: 4 -0.349529799447E+03 -0.19632E-03 -0.94637E-04 4748 0.726E-02 0.293E-01 RMM: 5 -0.349529249383E+03 0.55006E-03 -0.29465E-04 4006 0.449E-02 0.906E-02 RMM: 6 -0.349529226078E+03 0.23304E-04 -0.97808E-05 3682 0.267E-02 0.733E-02 RMM: 7 -0.349529221994E+03 0.40849E-05 -0.52754E-05 3272 0.211E-02 9745 T= 7587. E= 0.68354807E+03 F= 0.62078552E+03 E0= 0.64979612E+03 EK= 0.62763E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348577060102E+03 0.95217E+00 -0.24801E-01 8304 0.247E+01 0.218E-01 RMM: 2 -0.348595830184E+03 -0.18770E-01 -0.16743E-01 5200 0.919E-01 0.762E-01 RMM: 3 -0.348591108023E+03 0.47222E-02 -0.14717E-02 6103 0.227E-01 0.211E-01 RMM: 4 -0.348590643907E+03 0.46412E-03 -0.72814E-04 4739 0.646E-02 0.152E-01 RMM: 5 -0.348590481545E+03 0.16236E-03 -0.28132E-04 4190 0.493E-02 0.111E-01 RMM: 6 -0.348590643277E+03 -0.16173E-03 -0.23338E-04 3924 0.407E-02 0.194E-01 RMM: 7 -0.348590468642E+03 0.17463E-03 -0.13671E-04 3885 0.328E-02 0.109E-01 RMM: 8 -0.348590395678E+03 0.72964E-04 -0.52156E-05 3310 0.205E-02 0.387E-02 RMM: 9 -0.348590409500E+03 -0.13822E-04 -0.27877E-05 2582 0.153E-02 9746 T= 6281. E= 0.67389009E+03 F= 0.62192789E+03 E0= 0.65091901E+03 EK= 0.51962E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347613038232E+03 0.97736E+00 -0.20368E-01 8400 0.224E+01 0.211E-01 RMM: 2 -0.347630523715E+03 -0.17485E-01 -0.14500E-01 5299 0.883E-01 0.855E-01 RMM: 3 -0.347625392110E+03 0.51316E-02 -0.13198E-02 5952 0.213E-01 0.211E-01 RMM: 4 -0.347624901541E+03 0.49057E-03 -0.67949E-04 4727 0.616E-02 0.148E-01 RMM: 5 -0.347624751613E+03 0.14993E-03 -0.20149E-04 3930 0.413E-02 0.111E-01 RMM: 6 -0.347624851593E+03 -0.99980E-04 -0.23299E-04 3949 0.409E-02 0.178E-01 RMM: 7 -0.347624677902E+03 0.17369E-03 -0.16860E-04 3889 0.374E-02 0.892E-02 RMM: 8 -0.347624630652E+03 0.47250E-04 -0.34428E-05 2818 0.177E-02 0.361E-02 RMM: 9 -0.347624633399E+03 -0.27463E-05 -0.20947E-05 2487 0.135E-02 9747 T= 5210. E= 0.66621288E+03 F= 0.62311470E+03 E0= 0.65208709E+03 EK= 0.43098E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346859417347E+03 0.76521E+00 -0.16380E-01 8004 0.208E+01 0.202E-01 RMM: 2 -0.346872109631E+03 -0.12692E-01 -0.11091E-01 5288 0.759E-01 0.689E-01 RMM: 3 -0.346868770419E+03 0.33392E-02 -0.98757E-03 5943 0.181E-01 0.203E-01 RMM: 4 -0.346868379455E+03 0.39096E-03 -0.53495E-04 4573 0.567E-02 0.149E-01 RMM: 5 -0.346868221204E+03 0.15825E-03 -0.31118E-04 4330 0.516E-02 0.117E-01 RMM: 6 -0.346868460347E+03 -0.23914E-03 -0.27400E-04 3936 0.431E-02 0.227E-01 RMM: 7 -0.346868161547E+03 0.29880E-03 -0.15311E-04 3883 0.358E-02 0.819E-02 RMM: 8 -0.346868125272E+03 0.36275E-04 -0.35582E-05 2999 0.174E-02 0.401E-02 RMM: 9 -0.346868133860E+03 -0.85875E-05 -0.31873E-05 2544 0.167E-02 9748 T= 4613. E= 0.66227080E+03 F= 0.62410668E+03 E0= 0.65306059E+03 EK= 0.38164E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346438578841E+03 0.42955E+00 -0.13986E-01 8172 0.200E+01 0.197E-01 RMM: 2 -0.346447935600E+03 -0.93568E-02 -0.72645E-02 5321 0.612E-01 0.729E-01 RMM: 3 -0.346444248843E+03 0.36868E-02 -0.65204E-03 5817 0.156E-01 0.165E-01 RMM: 4 -0.346444063667E+03 0.18518E-03 -0.53642E-04 4591 0.553E-02 0.148E-01 RMM: 5 -0.346443919202E+03 0.14446E-03 -0.28166E-04 4047 0.484E-02 0.936E-02 RMM: 6 -0.346444016034E+03 -0.96832E-04 -0.17457E-04 3880 0.351E-02 0.153E-01 RMM: 7 -0.346443914413E+03 0.10162E-03 -0.74397E-05 3552 0.259E-02 0.862E-02 RMM: 8 -0.346443867993E+03 0.46420E-04 -0.23311E-05 2690 0.148E-02 0.262E-02 RMM: 9 -0.346443873391E+03 -0.53981E-05 -0.11894E-05 2465 0.996E-03 9749 T= 4533. E= 0.66227327E+03 F= 0.62477176E+03 E0= 0.65370843E+03 EK= 0.37502E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346387851350E+03 0.56017E-01 -0.13986E-01 8112 0.203E+01 0.226E-01 RMM: 2 -0.346395775866E+03 -0.79245E-02 -0.63714E-02 5233 0.552E-01 0.682E-01 RMM: 3 -0.346392363879E+03 0.34120E-02 -0.55199E-03 5687 0.147E-01 0.156E-01 RMM: 4 -0.346392601161E+03 -0.23728E-03 -0.84296E-04 4625 0.721E-02 0.270E-01 RMM: 5 -0.346392164341E+03 0.43682E-03 -0.31436E-04 3959 0.472E-02 0.110E-01 RMM: 6 -0.346392118045E+03 0.46296E-04 -0.10282E-04 3746 0.278E-02 0.751E-02 RMM: 7 -0.346392130087E+03 -0.12043E-04 -0.48497E-05 3241 0.207E-02 9750 T= 4981. E= 0.66626562E+03 F= 0.62505801E+03 E0= 0.65397795E+03 EK= 0.41208E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346686318330E+03 -0.29420E+00 -0.15209E-01 8388 0.217E+01 0.265E-01 RMM: 2 -0.346694146523E+03 -0.78282E-02 -0.65679E-02 5355 0.573E-01 0.700E-01 RMM: 3 -0.346690761352E+03 0.33852E-02 -0.58001E-03 5578 0.158E-01 0.211E-01 RMM: 4 -0.346691075982E+03 -0.31463E-03 -0.10374E-03 4621 0.770E-02 0.314E-01 RMM: 5 -0.346690426214E+03 0.64977E-03 -0.35495E-04 3899 0.471E-02 0.920E-02 RMM: 6 -0.346690391196E+03 0.35018E-04 -0.66606E-05 3448 0.230E-02 0.638E-02 RMM: 7 -0.346690419993E+03 -0.28797E-04 -0.61090E-05 3423 0.208E-02 0.917E-02 RMM: 8 -0.346690369093E+03 0.50899E-04 -0.35930E-05 3002 0.189E-02 0.282E-02 RMM: 9 -0.346690370094E+03 -0.10007E-05 -0.10772E-05 2472 0.927E-03 9751 T= 5965. E= 0.67432803E+03 F= 0.62497837E+03 E0= 0.65388257E+03 EK= 0.49350E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347234978369E+03 -0.54461E+00 -0.18585E-01 8808 0.238E+01 0.291E-01 RMM: 2 -0.347248101445E+03 -0.13123E-01 -0.98549E-02 5380 0.709E-01 0.946E-01 RMM: 3 -0.347242013830E+03 0.60876E-02 -0.88620E-03 5585 0.193E-01 0.208E-01 RMM: 4 -0.347242428905E+03 -0.41507E-03 -0.12931E-03 4654 0.838E-02 0.348E-01 RMM: 5 -0.347241638622E+03 0.79028E-03 -0.38287E-04 3954 0.498E-02 0.917E-02 RMM: 6 -0.347241582695E+03 0.55927E-04 -0.58978E-05 3358 0.213E-02 0.351E-02 RMM: 7 -0.347241580181E+03 0.25138E-05 -0.17251E-05 2512 0.120E-02 9752 T= 7349. E= 0.68541988E+03 F= 0.62462599E+03 E0= 0.65351713E+03 EK= 0.60794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347851437392E+03 -0.60985E+00 -0.23011E-01 9108 0.258E+01 0.338E-01 RMM: 2 -0.347867211975E+03 -0.15775E-01 -0.14472E-01 5394 0.865E-01 0.840E-01 RMM: 3 -0.347862499030E+03 0.47129E-02 -0.12766E-02 5672 0.228E-01 0.284E-01 RMM: 4 -0.347862751036E+03 -0.25201E-03 -0.16064E-03 4665 0.934E-02 0.390E-01 RMM: 5 -0.347861701617E+03 0.10494E-02 -0.56617E-04 4504 0.605E-02 0.842E-02 RMM: 6 -0.347861673391E+03 0.28226E-04 -0.72186E-05 3516 0.213E-02 0.690E-02 RMM: 7 -0.347861658184E+03 0.15208E-04 -0.71376E-05 3658 0.216E-02 9753 T= 8609. E= 0.69540439E+03 F= 0.62418806E+03 E0= 0.65307049E+03 EK= 0.71216E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348325139949E+03 -0.46347E+00 -0.26768E-01 8952 0.269E+01 0.337E-01 RMM: 2 -0.348345004649E+03 -0.19865E-01 -0.17818E-01 5284 0.938E-01 0.913E-01 RMM: 3 -0.348339073346E+03 0.59313E-02 -0.15548E-02 5745 0.246E-01 0.286E-01 RMM: 4 -0.348339339198E+03 -0.26585E-03 -0.18761E-03 4837 0.102E-01 0.394E-01 RMM: 5 -0.348338336810E+03 0.10024E-02 -0.59653E-04 4521 0.623E-02 0.115E-01 RMM: 6 -0.348338258387E+03 0.78423E-04 -0.82718E-05 3575 0.232E-02 0.478E-02 RMM: 7 -0.348338264135E+03 -0.57485E-05 -0.31537E-05 2682 0.159E-02 9754 T= 8952. E= 0.69793863E+03 F= 0.62388558E+03 E0= 0.65276470E+03 EK= 0.74053E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348546245576E+03 -0.20799E+00 -0.26820E-01 8976 0.263E+01 0.271E-01 RMM: 2 -0.348566317162E+03 -0.20072E-01 -0.16986E-01 5268 0.868E-01 0.882E-01 RMM: 3 -0.348559446203E+03 0.68710E-02 -0.12989E-02 5539 0.240E-01 0.208E-01 RMM: 4 -0.348559644757E+03 -0.19855E-03 -0.13463E-03 4838 0.833E-02 0.294E-01 RMM: 5 -0.348559112390E+03 0.53237E-03 -0.32942E-04 3989 0.441E-02 0.120E-01 RMM: 6 -0.348559044064E+03 0.68325E-04 -0.10568E-04 3687 0.277E-02 0.693E-02 RMM: 7 -0.348559100523E+03 -0.56459E-04 -0.10043E-04 3883 0.247E-02 0.116E-01 RMM: 8 -0.348559019036E+03 0.81487E-04 -0.50985E-05 3284 0.208E-02 0.335E-02 RMM: 9 -0.348559018847E+03 0.18944E-06 -0.15468E-05 2504 0.115E-02 9755 T= 8108. E= 0.69092102E+03 F= 0.62384227E+03 E0= 0.65272339E+03 EK= 0.67079E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348577529455E+03 -0.18510E-01 -0.23894E-01 8832 0.243E+01 0.215E-01 RMM: 2 -0.348595138906E+03 -0.17609E-01 -0.16436E-01 5290 0.863E-01 0.660E-01 RMM: 3 -0.348590558717E+03 0.45802E-02 -0.11940E-02 5855 0.226E-01 0.179E-01 RMM: 4 -0.348590451036E+03 0.10768E-03 -0.86727E-04 4732 0.683E-02 0.196E-01 RMM: 5 -0.348590210730E+03 0.24031E-03 -0.31499E-04 4306 0.499E-02 0.103E-01 RMM: 6 -0.348590238584E+03 -0.27855E-04 -0.17107E-04 3876 0.343E-02 0.123E-01 RMM: 7 -0.348590190963E+03 0.47622E-04 -0.74851E-05 3568 0.258E-02 0.854E-02 RMM: 8 -0.348590147474E+03 0.43488E-04 -0.21909E-05 2616 0.146E-02 0.277E-02 RMM: 9 -0.348590151415E+03 -0.39410E-05 -0.11011E-05 2459 0.931E-03 9756 T= 6687. E= 0.67932064E+03 F= 0.62400238E+03 E0= 0.65288868E+03 EK= 0.55318E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348585909921E+03 0.42376E-02 -0.19811E-01 8916 0.220E+01 0.207E-01 RMM: 2 -0.348602736648E+03 -0.16827E-01 -0.14723E-01 5435 0.852E-01 0.748E-01 RMM: 3 -0.348598153538E+03 0.45831E-02 -0.11110E-02 6108 0.198E-01 0.191E-01 RMM: 4 -0.348597779425E+03 0.37411E-03 -0.58578E-04 4694 0.565E-02 0.145E-01 RMM: 5 -0.348597635064E+03 0.14436E-03 -0.23130E-04 3964 0.443E-02 0.109E-01 RMM: 6 -0.348597800446E+03 -0.16538E-03 -0.26489E-04 4013 0.426E-02 0.198E-01 RMM: 7 -0.348597592736E+03 0.20771E-03 -0.15022E-04 3884 0.351E-02 0.891E-02 RMM: 8 -0.348597546718E+03 0.46018E-04 -0.31713E-05 2879 0.170E-02 0.351E-02 RMM: 9 -0.348597558205E+03 -0.11487E-04 -0.21217E-05 2510 0.132E-02 9757 T= 5423. E= 0.66907230E+03 F= 0.62420620E+03 E0= 0.65310002E+03 EK= 0.44866E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348712724293E+03 -0.11518E+00 -0.16314E-01 8928 0.202E+01 0.209E-01 RMM: 2 -0.348726769325E+03 -0.14045E-01 -0.12354E-01 5403 0.790E-01 0.711E-01 RMM: 3 -0.348723017781E+03 0.37515E-02 -0.10170E-02 6069 0.185E-01 0.194E-01 RMM: 4 -0.348722645557E+03 0.37222E-03 -0.57710E-04 4650 0.573E-02 0.153E-01 RMM: 5 -0.348722478292E+03 0.16726E-03 -0.29249E-04 4179 0.493E-02 0.108E-01 RMM: 6 -0.348722671250E+03 -0.19296E-03 -0.28153E-04 3938 0.438E-02 0.204E-01 RMM: 7 -0.348722449239E+03 0.22201E-03 -0.14070E-04 3880 0.348E-02 0.911E-02 RMM: 8 -0.348722400127E+03 0.49112E-04 -0.29566E-05 2846 0.161E-02 0.350E-02 RMM: 9 -0.348722410864E+03 -0.10736E-04 -0.22715E-05 2511 0.138E-02 9758 T= 4646. E= 0.66274586E+03 F= 0.62431187E+03 E0= 0.65321482E+03 EK= 0.38434E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349026939818E+03 -0.30454E+00 -0.13843E-01 8952 0.193E+01 0.213E-01 RMM: 2 -0.349038474255E+03 -0.11534E-01 -0.96596E-02 5442 0.664E-01 0.712E-01 RMM: 3 -0.349034515946E+03 0.39583E-02 -0.73540E-03 5976 0.161E-01 0.172E-01 RMM: 4 -0.349034374537E+03 0.14141E-03 -0.65571E-04 4627 0.626E-02 0.186E-01 RMM: 5 -0.349034162953E+03 0.21158E-03 -0.37037E-04 4379 0.539E-02 0.106E-01 RMM: 6 -0.349034242210E+03 -0.79257E-04 -0.18631E-04 3878 0.354E-02 0.151E-01 RMM: 7 -0.349034142406E+03 0.99804E-04 -0.85019E-05 3686 0.280E-02 0.863E-02 RMM: 8 -0.349034097213E+03 0.45193E-04 -0.25775E-05 2878 0.154E-02 0.278E-02 RMM: 9 -0.349034104981E+03 -0.77684E-05 -0.11590E-05 2474 0.966E-03 9759 T= 4398. E= 0.66062608E+03 F= 0.62424227E+03 E0= 0.65315649E+03 EK= 0.36384E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349527238362E+03 -0.49314E+00 -0.13754E-01 8712 0.194E+01 0.229E-01 RMM: 2 -0.349537333020E+03 -0.10095E-01 -0.91856E-02 5419 0.617E-01 0.607E-01 RMM: 3 -0.349534056866E+03 0.32762E-02 -0.67701E-03 5873 0.157E-01 0.162E-01 RMM: 4 -0.349534282568E+03 -0.22570E-03 -0.85217E-04 4637 0.718E-02 0.282E-01 RMM: 5 -0.349533791932E+03 0.49064E-03 -0.33163E-04 3954 0.480E-02 0.101E-01 RMM: 6 -0.349533773162E+03 0.18770E-04 -0.11836E-04 3829 0.295E-02 9760 T= 4666. E= 0.66258706E+03 F= 0.62398410E+03 E0= 0.65290977E+03 EK= 0.38603E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350149932155E+03 -0.61614E+00 -0.15706E-01 9084 0.206E+01 0.370E-01 RMM: 2 -0.350177307821E+03 -0.27376E-01 -0.10396E-01 5422 0.665E-01 0.172E+00 RMM: 3 -0.350156532056E+03 0.20776E-01 -0.12097E-02 5370 0.258E-01 0.272E-01 RMM: 4 -0.350156534636E+03 -0.25795E-05 -0.18918E-03 4698 0.939E-02 0.287E-01 RMM: 5 -0.350156206537E+03 0.32810E-03 -0.39650E-04 3948 0.480E-02 0.201E-01 RMM: 6 -0.350155954714E+03 0.25182E-03 -0.17387E-04 3881 0.369E-02 0.673E-02 RMM: 7 -0.350156002825E+03 -0.48111E-04 -0.88067E-05 3645 0.250E-02 0.107E-01 RMM: 8 -0.350155941248E+03 0.61577E-04 -0.46870E-05 3189 0.204E-02 0.458E-02 RMM: 9 -0.350155932671E+03 0.85770E-05 -0.16654E-05 2524 0.122E-02 9761 T= 5455. E= 0.66871694E+03 F= 0.62359101E+03 E0= 0.65253072E+03 EK= 0.45126E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350753341025E+03 -0.59740E+00 -0.20970E-01 9096 0.227E+01 0.368E-01 RMM: 2 -0.350784374865E+03 -0.31034E-01 -0.14947E-01 5423 0.805E-01 0.168E+00 RMM: 3 -0.350764058296E+03 0.20317E-01 -0.14413E-02 5394 0.271E-01 0.314E-01 RMM: 4 -0.350763978254E+03 0.80042E-04 -0.25398E-03 4832 0.112E-01 0.315E-01 RMM: 5 -0.350763500879E+03 0.47738E-03 -0.51444E-04 4353 0.582E-02 0.183E-01 RMM: 6 -0.350763272401E+03 0.22848E-03 -0.12821E-04 3865 0.297E-02 0.344E-02 RMM: 7 -0.350763268581E+03 0.38198E-05 -0.18223E-05 2570 0.120E-02 9762 T= 6703. E= 0.67864718E+03 F= 0.62319331E+03 E0= 0.65214654E+03 EK= 0.55454E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351123056942E+03 -0.35978E+00 -0.28496E-01 9024 0.250E+01 0.378E-01 RMM: 2 -0.351152825236E+03 -0.29768E-01 -0.21295E-01 5517 0.957E-01 0.136E+00 RMM: 3 -0.351139002220E+03 0.13823E-01 -0.15826E-02 5613 0.261E-01 0.259E-01 RMM: 4 -0.351139382822E+03 -0.38060E-03 -0.23377E-03 4828 0.112E-01 0.397E-01 RMM: 5 -0.351138333926E+03 0.10489E-02 -0.62707E-04 4547 0.637E-02 0.119E-01 RMM: 6 -0.351138257812E+03 0.76113E-04 -0.10053E-04 3750 0.242E-02 0.703E-02 RMM: 7 -0.351138257497E+03 0.31514E-06 -0.86853E-05 3822 0.230E-02 9763 T= 8067. E= 0.68974422E+03 F= 0.62300856E+03 E0= 0.65197518E+03 EK= 0.66736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351029196224E+03 0.10906E+00 -0.38470E-01 9024 0.268E+01 0.386E-01 RMM: 2 -0.351061723648E+03 -0.32527E-01 -0.28920E-01 5508 0.110E+00 0.108E+00 RMM: 3 -0.351051758472E+03 0.99652E-02 -0.20222E-02 5824 0.273E-01 0.304E-01 RMM: 4 -0.351052151981E+03 -0.39351E-03 -0.25006E-03 4923 0.117E-01 0.452E-01 RMM: 5 -0.351050778449E+03 0.13735E-02 -0.79688E-04 4609 0.727E-02 0.914E-02 RMM: 6 -0.351050736973E+03 0.41477E-04 -0.84307E-05 3635 0.216E-02 0.573E-02 RMM: 7 -0.351050724193E+03 0.12780E-04 -0.30766E-05 2688 0.152E-02 9764 T= 8827. E= 0.69629624E+03 F= 0.62327341E+03 E0= 0.65225208E+03 EK= 0.73023E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350383644085E+03 0.66709E+00 -0.46509E-01 8892 0.270E+01 0.330E-01 RMM: 2 -0.350420362068E+03 -0.36718E-01 -0.31607E-01 5723 0.109E+00 0.109E+00 RMM: 3 -0.350408713941E+03 0.11648E-01 -0.17114E-02 5568 0.264E-01 0.238E-01 RMM: 4 -0.350409018289E+03 -0.30435E-03 -0.20252E-03 4857 0.988E-02 0.362E-01 RMM: 5 -0.350408175963E+03 0.84233E-03 -0.49079E-04 4332 0.543E-02 0.127E-01 RMM: 6 -0.350408092714E+03 0.83249E-04 -0.12553E-04 3868 0.284E-02 0.743E-02 RMM: 7 -0.350408132011E+03 -0.39297E-04 -0.10919E-04 3889 0.246E-02 0.118E-01 RMM: 8 -0.350408047308E+03 0.84703E-04 -0.82261E-05 3767 0.242E-02 0.372E-02 RMM: 9 -0.350408059143E+03 -0.11835E-04 -0.24419E-05 2724 0.145E-02 9765 T= 8435. E= 0.69386832E+03 F= 0.62409069E+03 E0= 0.65308041E+03 EK= 0.69778E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.349339981071E+03 0.10681E+01 -0.46367E-01 8616 0.255E+01 0.277E-01 RMM: 2 -0.349370606984E+03 -0.30626E-01 -0.28403E-01 6337 0.100E+00 0.787E-01 RMM: 3 -0.349363303387E+03 0.73036E-02 -0.11511E-02 5466 0.233E-01 0.208E-01 RMM: 4 -0.349363565232E+03 -0.26185E-03 -0.14769E-03 4860 0.836E-02 0.304E-01 RMM: 5 -0.349362979077E+03 0.58616E-03 -0.39746E-04 4244 0.514E-02 0.114E-01 RMM: 6 -0.349362926601E+03 0.52476E-04 -0.12921E-04 3878 0.304E-02 0.737E-02 RMM: 7 -0.349362970649E+03 -0.44048E-04 -0.57771E-05 3377 0.205E-02 0.108E-01 RMM: 8 -0.349362896857E+03 0.73792E-04 -0.35448E-05 2970 0.189E-02 0.258E-02 RMM: 9 -0.349362899527E+03 -0.26703E-05 -0.11651E-05 2472 0.941E-03 9766 T= 7184. E= 0.68474616E+03 F= 0.62531835E+03 E0= 0.65431575E+03 EK= 0.59428E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348195806104E+03 0.11671E+01 -0.42120E-01 8724 0.233E+01 0.214E-01 RMM: 2 -0.348224060629E+03 -0.28255E-01 -0.26561E-01 6084 0.101E+00 0.669E-01 RMM: 3 -0.348218044327E+03 0.60163E-02 -0.11872E-02 5685 0.223E-01 0.195E-01 RMM: 4 -0.348217795242E+03 0.24909E-03 -0.10026E-03 4809 0.664E-02 0.161E-01 RMM: 5 -0.348217614682E+03 0.18056E-03 -0.28044E-04 4083 0.465E-02 0.101E-01 RMM: 6 -0.348217744503E+03 -0.12982E-03 -0.19127E-04 3891 0.357E-02 0.176E-01 RMM: 7 -0.348217596937E+03 0.14757E-03 -0.13043E-04 3882 0.326E-02 0.991E-02 RMM: 8 -0.348217537203E+03 0.59734E-04 -0.39318E-05 3096 0.181E-02 0.332E-02 RMM: 9 -0.348217548900E+03 -0.11698E-04 -0.22764E-05 2527 0.136E-02 9767 T= 5834. E= 0.67492034E+03 F= 0.62666147E+03 E0= 0.65566441E+03 EK= 0.48259E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347227134515E+03 0.99040E+00 -0.32871E-01 8904 0.212E+01 0.217E-01 RMM: 2 -0.347251463697E+03 -0.24329E-01 -0.22251E-01 5713 0.955E-01 0.729E-01 RMM: 3 -0.347245705723E+03 0.57580E-02 -0.12531E-02 5987 0.213E-01 0.203E-01 RMM: 4 -0.347245317196E+03 0.38853E-03 -0.81774E-04 4761 0.631E-02 0.158E-01 RMM: 5 -0.347245138060E+03 0.17914E-03 -0.26132E-04 3983 0.455E-02 0.107E-01 RMM: 6 -0.347245260665E+03 -0.12261E-03 -0.22455E-04 3908 0.398E-02 0.176E-01 RMM: 7 -0.347245110058E+03 0.15061E-03 -0.13576E-04 3880 0.324E-02 0.995E-02 RMM: 8 -0.347245048250E+03 0.61808E-04 -0.40181E-05 3065 0.184E-02 0.342E-02 RMM: 9 -0.347245058299E+03 -0.10050E-04 -0.23268E-05 2518 0.139E-02 9768 T= 4877. E= 0.66819157E+03 F= 0.62784842E+03 E0= 0.65685488E+03 EK= 0.40343E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346587495931E+03 0.65755E+00 -0.24044E-01 8988 0.199E+01 0.205E-01 RMM: 2 -0.346606252190E+03 -0.18756E-01 -0.16717E-01 5629 0.826E-01 0.695E-01 RMM: 3 -0.346601291032E+03 0.49612E-02 -0.98243E-03 5850 0.192E-01 0.190E-01 RMM: 4 -0.346601020890E+03 0.27014E-03 -0.74874E-04 4683 0.634E-02 0.163E-01 RMM: 5 -0.346600837991E+03 0.18290E-03 -0.30284E-04 4061 0.485E-02 0.102E-01 RMM: 6 -0.346600931905E+03 -0.93913E-04 -0.19357E-04 3892 0.364E-02 0.158E-01 RMM: 7 -0.346600826992E+03 0.10491E-03 -0.11110E-04 3875 0.298E-02 0.984E-02 RMM: 8 -0.346600766555E+03 0.60437E-04 -0.34182E-05 3024 0.172E-02 0.295E-02 RMM: 9 -0.346600773699E+03 -0.71434E-05 -0.16103E-05 2488 0.115E-02 9769 T= 4448. E= 0.66551257E+03 F= 0.62871850E+03 E0= 0.65772608E+03 EK= 0.36794E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346325317836E+03 0.27545E+00 -0.18726E-01 8940 0.197E+01 0.218E-01 RMM: 2 -0.346340136967E+03 -0.14819E-01 -0.12488E-01 5690 0.699E-01 0.738E-01 RMM: 3 -0.346335018433E+03 0.51185E-02 -0.69317E-03 5771 0.169E-01 0.151E-01 RMM: 4 -0.346335091349E+03 -0.72916E-04 -0.77986E-04 4645 0.672E-02 0.226E-01 RMM: 5 -0.346334777071E+03 0.31428E-03 -0.26939E-04 3893 0.433E-02 0.104E-01 RMM: 6 -0.346334765797E+03 0.11273E-04 -0.12963E-04 3874 0.309E-02 9770 T= 4553. E= 0.66687290E+03 F= 0.62921127E+03 E0= 0.65821572E+03 EK= 0.37662E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346417345468E+03 -0.82568E-01 -0.17430E-01 8976 0.206E+01 0.371E-01 RMM: 2 -0.346445970868E+03 -0.28625E-01 -0.11537E-01 5492 0.688E-01 0.171E+00 RMM: 3 -0.346425123749E+03 0.20847E-01 -0.13251E-02 5366 0.268E-01 0.279E-01 RMM: 4 -0.346424979076E+03 0.14467E-03 -0.17896E-03 4723 0.911E-02 0.257E-01 RMM: 5 -0.346424749368E+03 0.22971E-03 -0.39700E-04 3993 0.484E-02 0.203E-01 RMM: 6 -0.346424487784E+03 0.26158E-03 -0.20137E-04 3906 0.396E-02 0.694E-02 RMM: 7 -0.346424547528E+03 -0.59745E-04 -0.92144E-05 3818 0.256E-02 0.116E-01 RMM: 8 -0.346424472356E+03 0.75172E-04 -0.44275E-05 3133 0.197E-02 0.484E-02 RMM: 9 -0.346424461883E+03 0.10473E-04 -0.18730E-05 2543 0.129E-02 9771 T= 5204. E= 0.67238612E+03 F= 0.62933800E+03 E0= 0.65833532E+03 EK= 0.43048E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346771513913E+03 -0.34704E+00 -0.19850E-01 9036 0.225E+01 0.361E-01 RMM: 2 -0.346801583053E+03 -0.30069E-01 -0.13513E-01 5350 0.784E-01 0.169E+00 RMM: 3 -0.346781156686E+03 0.20426E-01 -0.14275E-02 5381 0.278E-01 0.322E-01 RMM: 4 -0.346780783730E+03 0.37296E-03 -0.22457E-03 4824 0.105E-01 0.250E-01 RMM: 5 -0.346780554440E+03 0.22929E-03 -0.40951E-04 3997 0.513E-02 0.183E-01 RMM: 6 -0.346780323944E+03 0.23050E-03 -0.12869E-04 3866 0.317E-02 0.369E-02 RMM: 7 -0.346780318831E+03 0.51129E-05 -0.18732E-05 2563 0.121E-02 9772 T= 6387. E= 0.68201909E+03 F= 0.62918056E+03 E0= 0.65816307E+03 EK= 0.52839E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347216051062E+03 -0.43573E+00 -0.24225E-01 9060 0.250E+01 0.373E-01 RMM: 2 -0.347243425276E+03 -0.27374E-01 -0.17671E-01 5388 0.933E-01 0.141E+00 RMM: 3 -0.347229354804E+03 0.14070E-01 -0.15812E-02 5560 0.268E-01 0.289E-01 RMM: 4 -0.347229529990E+03 -0.17519E-03 -0.22653E-03 4902 0.110E-01 0.377E-01 RMM: 5 -0.347228625182E+03 0.90481E-03 -0.60417E-04 4586 0.640E-02 0.138E-01 RMM: 6 -0.347228500652E+03 0.12453E-03 -0.11722E-04 3858 0.268E-02 0.558E-02 RMM: 7 -0.347228509696E+03 -0.90436E-05 -0.51073E-05 3236 0.194E-02 9773 T= 7855. E= 0.69389484E+03 F= 0.62891144E+03 E0= 0.65786935E+03 EK= 0.64983E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347516524129E+03 -0.28802E+00 -0.28544E-01 9144 0.272E+01 0.364E-01 RMM: 2 -0.347539313761E+03 -0.22790E-01 -0.20931E-01 5416 0.102E+00 0.933E-01 RMM: 3 -0.347532802521E+03 0.65112E-02 -0.17442E-02 5776 0.263E-01 0.283E-01 RMM: 4 -0.347532988962E+03 -0.18644E-03 -0.18254E-03 4750 0.993E-02 0.401E-01 RMM: 5 -0.347531879085E+03 0.11099E-02 -0.62544E-04 4563 0.643E-02 0.822E-02 RMM: 6 -0.347531847411E+03 0.31674E-04 -0.82068E-05 3584 0.222E-02 0.598E-02 RMM: 7 -0.347531831284E+03 0.16127E-04 -0.29449E-05 2605 0.156E-02 9774 T= 8917. E= 0.70253849E+03 F= 0.62877295E+03 E0= 0.65769788E+03 EK= 0.73766E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347494852912E+03 0.36994E-01 -0.30940E-01 9036 0.279E+01 0.332E-01 RMM: 2 -0.347522638531E+03 -0.27786E-01 -0.21883E-01 5339 0.103E+00 0.117E+00 RMM: 3 -0.347512169099E+03 0.10469E-01 -0.17182E-02 5784 0.266E-01 0.255E-01 RMM: 4 -0.347512235859E+03 -0.66761E-04 -0.19323E-03 4932 0.104E-01 0.341E-01 RMM: 5 -0.347511487190E+03 0.74867E-03 -0.52588E-04 4479 0.587E-02 0.126E-01 RMM: 6 -0.347511393228E+03 0.93962E-04 -0.10242E-04 3777 0.256E-02 0.599E-02 RMM: 7 -0.347511406517E+03 -0.13289E-04 -0.60021E-05 3418 0.201E-02 9775 T= 8823. E= 0.70194199E+03 F= 0.62895348E+03 E0= 0.65784087E+03 EK= 0.72989E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347179089870E+03 0.33230E+00 -0.28491E-01 8904 0.268E+01 0.273E-01 RMM: 2 -0.347202579678E+03 -0.23490E-01 -0.18803E-01 5464 0.915E-01 0.101E+00 RMM: 3 -0.347193779198E+03 0.88005E-02 -0.12296E-02 5523 0.240E-01 0.229E-01 RMM: 4 -0.347193734338E+03 0.44860E-04 -0.13307E-03 4819 0.826E-02 0.240E-01 RMM: 5 -0.347193375613E+03 0.35873E-03 -0.28926E-04 3907 0.425E-02 0.111E-01 RMM: 6 -0.347193324620E+03 0.50992E-04 -0.10340E-04 3816 0.280E-02 0.723E-02 RMM: 7 -0.347193369935E+03 -0.45314E-04 -0.68242E-05 3492 0.208E-02 0.112E-01 RMM: 8 -0.347193290739E+03 0.79195E-04 -0.49103E-05 3224 0.215E-02 0.294E-02 RMM: 9 -0.347193292369E+03 -0.16298E-05 -0.14158E-05 2484 0.109E-02 9776 T= 7645. E= 0.69268235E+03 F= 0.62943778E+03 E0= 0.65828981E+03 EK= 0.63245E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346775784560E+03 0.41751E+00 -0.24384E-01 8964 0.245E+01 0.227E-01 RMM: 2 -0.346796909972E+03 -0.21125E-01 -0.17994E-01 5299 0.934E-01 0.861E-01 RMM: 3 -0.346790725935E+03 0.61840E-02 -0.13896E-02 5866 0.233E-01 0.231E-01 RMM: 4 -0.346790264181E+03 0.46175E-03 -0.90817E-04 4708 0.687E-02 0.148E-01 RMM: 5 -0.346790102259E+03 0.16192E-03 -0.24465E-04 3990 0.440E-02 0.109E-01 RMM: 6 -0.346790110739E+03 -0.84804E-05 -0.15245E-04 3880 0.333E-02 9777 T= 6179. E= 0.68113995E+03 F= 0.63002189E+03 E0= 0.65884819E+03 EK= 0.51118E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346530873747E+03 0.25923E+00 -0.18239E-01 8736 0.222E+01 0.366E-01 RMM: 2 -0.346569617762E+03 -0.38744E-01 -0.14829E-01 5385 0.878E-01 0.199E+00 RMM: 3 -0.346542375746E+03 0.27242E-01 -0.16611E-02 5373 0.302E-01 0.362E-01 RMM: 4 -0.346541541848E+03 0.83390E-03 -0.19082E-03 4781 0.886E-02 0.157E-01 RMM: 5 -0.346541401843E+03 0.14001E-03 -0.45005E-04 4585 0.596E-02 0.153E-01 RMM: 6 -0.346541365139E+03 0.36704E-04 -0.28710E-04 4036 0.459E-02 0.145E-01 RMM: 7 -0.346541477237E+03 -0.11210E-03 -0.21792E-04 3892 0.393E-02 0.191E-01 RMM: 8 -0.346541245803E+03 0.23143E-03 -0.12508E-04 3878 0.323E-02 0.545E-02 RMM: 9 -0.346541244754E+03 0.10487E-05 -0.27715E-05 2809 0.149E-02 9778 T= 5057. E= 0.67230701E+03 F= 0.63047007E+03 E0= 0.65927938E+03 EK= 0.41837E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.346598294200E+03 -0.57048E-01 -0.13480E-01 8196 0.205E+01 0.352E-01 RMM: 2 -0.346636650135E+03 -0.38356E-01 -0.11265E-01 5346 0.803E-01 0.211E+00 RMM: 3 -0.346606647435E+03 0.30003E-01 -0.14832E-02 5376 0.293E-01 0.322E-01 RMM: 4 -0.346605945398E+03 0.70204E-03 -0.19034E-03 4700 0.922E-02 0.151E-01 RMM: 5 -0.346605820388E+03 0.12501E-03 -0.33493E-04 4194 0.501E-02 0.131E-01 RMM: 6 -0.346605731579E+03 0.88809E-04 -0.14116E-04 3879 0.328E-02 0.870E-02 RMM: 7 -0.346605788096E+03 -0.56516E-04 -0.12790E-04 3879 0.300E-02 0.133E-01 RMM: 8 -0.346605673179E+03 0.11492E-03 -0.59767E-05 3382 0.234E-02 0.338E-02 RMM: 9 -0.346605669575E+03 0.36046E-05 -0.12510E-05 2474 0.100E-02 9779 T= 4478. E= 0.66766360E+03 F= 0.63062013E+03 E0= 0.65942425E+03 EK= 0.37043E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347042002740E+03 -0.43633E+00 -0.11605E-01 8064 0.199E+01 0.291E-01 RMM: 2 -0.347059466044E+03 -0.17463E-01 -0.73791E-02 5197 0.632E-01 0.133E+00 RMM: 3 -0.347047264052E+03 0.12202E-01 -0.90051E-03 5403 0.218E-01 0.277E-01 RMM: 4 -0.347046865212E+03 0.39884E-03 -0.11829E-03 4651 0.763E-02 0.160E-01 RMM: 5 -0.347046813119E+03 0.52093E-04 -0.38438E-04 4450 0.537E-02 0.172E-01 RMM: 6 -0.347046648144E+03 0.16497E-03 -0.16975E-04 3880 0.346E-02 0.795E-02 RMM: 7 -0.347046701138E+03 -0.52994E-04 -0.99513E-05 3743 0.272E-02 0.120E-01 RMM: 8 -0.347046611622E+03 0.89517E-04 -0.47905E-05 3267 0.213E-02 0.327E-02 RMM: 9 -0.347046610691E+03 0.93106E-06 -0.10716E-05 2480 0.936E-03 9780 T= 4444. E= 0.66716519E+03 F= 0.63039982E+03 E0= 0.65920973E+03 EK= 0.36765E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.347854905970E+03 -0.80829E+00 -0.11386E-01 7992 0.205E+01 0.246E-01 RMM: 2 -0.347864616311E+03 -0.97103E-02 -0.58246E-02 5248 0.559E-01 0.921E-01 RMM: 3 -0.347858916320E+03 0.57000E-02 -0.57904E-03 5432 0.166E-01 0.178E-01 RMM: 4 -0.347859023768E+03 -0.10745E-03 -0.88976E-04 4610 0.692E-02 0.233E-01 RMM: 5 -0.347858732353E+03 0.29141E-03 -0.24308E-04 3891 0.396E-02 0.127E-01 RMM: 6 -0.347858635123E+03 0.97231E-04 -0.95994E-05 3723 0.279E-02 0.497E-02 RMM: 7 -0.347858674271E+03 -0.39149E-04 -0.44397E-05 3141 0.187E-02 0.921E-02 RMM: 8 -0.347858621067E+03 0.53205E-04 -0.28360E-05 2805 0.175E-02 0.219E-02 RMM: 9 -0.347858622539E+03 -0.14728E-05 -0.79798E-06 2454 0.799E-03 9781 T= 4951. E= 0.67076310E+03 F= 0.62980315E+03 E0= 0.65862938E+03 EK= 0.40960E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.348967375572E+03 -0.11088E+01 -0.13245E-01 8208 0.221E+01 0.280E-01 RMM: 2 -0.348977648348E+03 -0.10273E-01 -0.77965E-02 5258 0.667E-01 0.844E-01 RMM: 3 -0.348972954738E+03 0.46936E-02 -0.76172E-03 5518 0.184E-01 0.215E-01 RMM: 4 -0.348973173509E+03 -0.21877E-03 -0.12139E-03 4652 0.839E-02 0.300E-01 RMM: 5 -0.348972571963E+03 0.60155E-03 -0.36801E-04 3945 0.490E-02 0.914E-02 RMM: 6 -0.348972518947E+03 0.53015E-04 -0.49913E-05 3225 0.201E-02 0.411E-02 RMM: 7 -0.348972524582E+03 -0.56345E-05 -0.33138E-05 2735 0.166E-02 9782 T= 5996. E= 0.67849408E+03 F= 0.62889007E+03 E0= 0.65774395E+03 EK= 0.49604E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.350229687152E+03 -0.12572E+01 -0.16690E-01 8376 0.244E+01 0.340E-01 RMM: 2 -0.350244875147E+03 -0.15188E-01 -0.11560E-01 5342 0.841E-01 0.106E+00 RMM: 3 -0.350238273820E+03 0.66013E-02 -0.11107E-02 5521 0.226E-01 0.276E-01 RMM: 4 -0.350238448848E+03 -0.17503E-03 -0.17127E-03 4665 0.996E-02 0.352E-01 RMM: 5 -0.350237607530E+03 0.84132E-03 -0.51777E-04 4485 0.586E-02 0.967E-02 RMM: 6 -0.350237553707E+03 0.53822E-04 -0.67226E-05 3477 0.212E-02 0.515E-02 RMM: 7 -0.350237544486E+03 0.92211E-05 -0.30736E-05 2626 0.161E-02 9783 T= 7417. E= 0.68916765E+03 F= 0.62780781E+03 E0= 0.65670043E+03 EK= 0.61360E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.351411687321E+03 -0.11741E+01 -0.20924E-01 8232 0.265E+01 0.378E-01 RMM: 2 -0.351433014183E+03 -0.21327E-01 -0.17402E-01 5332 0.102E+00 0.114E+00 RMM: 3 -0.351425168497E+03 0.78457E-02 -0.16721E-02 5623 0.267E-01 0.276E-01 RMM: 4 -0.351425405193E+03 -0.23670E-03 -0.20092E-03 4826 0.107E-01 0.393E-01 RMM: 5 -0.351424339822E+03 0.10654E-02 -0.62433E-04 4575 0.648E-02 0.112E-01 RMM: 6 -0.351424263500E+03 0.76323E-04 -0.95864E-05 3694 0.244E-02 0.540E-02 RMM: 7 -0.351424240709E+03 0.22791E-04 -0.31674E-05 2637 0.161E-02 0.582E-02 RMM: 8 -0.351424220944E+03 0.19765E-04 -0.28242E-05 2620 0.156E-02 9784 T= 8654. E= 0.69837826E+03 F= 0.62678888E+03 E0= 0.65572862E+03 EK= 0.71589E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352301926643E+03 -0.87769E+00 -0.23533E-01 8100 0.275E+01 0.376E-01 RMM: 2 -0.352324336830E+03 -0.22410E-01 -0.17446E-01 5332 0.100E+00 0.119E+00 RMM: 3 -0.352315282738E+03 0.90541E-02 -0.17113E-02 5542 0.279E-01 0.255E-01 RMM: 4 -0.352315631823E+03 -0.34908E-03 -0.20681E-03 4917 0.105E-01 0.382E-01 RMM: 5 -0.352314704475E+03 0.92735E-03 -0.55351E-04 4570 0.600E-02 0.130E-01 RMM: 6 -0.352314593279E+03 0.11120E-03 -0.10326E-04 3748 0.255E-02 0.415E-02 RMM: 7 -0.352314577009E+03 0.16270E-04 -0.21854E-05 2580 0.137E-02 9785 T= 8915. E= 0.69981402E+03 F= 0.62605946E+03 E0= 0.65504879E+03 EK= 0.73755E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.352845067883E+03 -0.53047E+00 -0.23501E-01 8076 0.267E+01 0.334E-01 RMM: 2 -0.352871539743E+03 -0.26472E-01 -0.15065E-01 5192 0.909E-01 0.148E+00 RMM: 3 -0.352856742303E+03 0.14797E-01 -0.15043E-02 5478 0.273E-01 0.290E-01 RMM: 4 -0.352856391766E+03 0.35054E-03 -0.17451E-03 4890 0.931E-02 0.225E-01 RMM: 5 -0.352856071120E+03 0.32065E-03 -0.31373E-04 3980 0.439E-02 0.118E-01 RMM: 6 -0.352856005406E+03 0.65715E-04 -0.95412E-05 3685 0.270E-02 0.737E-02 RMM: 7 -0.352856069117E+03 -0.63711E-04 -0.12302E-04 3884 0.278E-02 0.132E-01 RMM: 8 -0.352855957883E+03 0.11123E-03 -0.89739E-05 3848 0.261E-02 0.357E-02 RMM: 9 -0.352855957597E+03 0.28570E-06 -0.17044E-05 2536 0.123E-02 9786 T= 8007. E= 0.69192474E+03 F= 0.62568264E+03 E0= 0.65471613E+03 EK= 0.66242E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353185210428E+03 -0.32925E+00 -0.21489E-01 8064 0.246E+01 0.230E-01 RMM: 2 -0.353203436993E+03 -0.18227E-01 -0.15203E-01 4886 0.919E-01 0.845E-01 RMM: 3 -0.353197814547E+03 0.56224E-02 -0.15571E-02 5750 0.262E-01 0.200E-01 RMM: 4 -0.353197625125E+03 0.18942E-03 -0.10216E-03 4986 0.772E-02 0.191E-01 RMM: 5 -0.353197394144E+03 0.23098E-03 -0.32927E-04 4321 0.511E-02 0.102E-01 RMM: 6 -0.353197404208E+03 -0.10063E-04 -0.15127E-04 3876 0.328E-02 9787 T= 6586. E= 0.68000591E+03 F= 0.62551870E+03 E0= 0.65458572E+03 EK= 0.54487E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353552062105E+03 -0.35467E+00 -0.17898E-01 8040 0.222E+01 0.347E-01 RMM: 2 -0.353590668862E+03 -0.38607E-01 -0.15484E-01 5068 0.962E-01 0.197E+00 RMM: 3 -0.353564603071E+03 0.26066E-01 -0.19830E-02 5435 0.328E-01 0.298E-01 RMM: 4 -0.353564023342E+03 0.57973E-03 -0.17327E-03 4885 0.841E-02 0.153E-01 RMM: 5 -0.353563863170E+03 0.16017E-03 -0.35482E-04 4453 0.564E-02 0.123E-01 RMM: 6 -0.353563925716E+03 -0.62545E-04 -0.24545E-04 4053 0.425E-02 0.165E-01 RMM: 7 -0.353563882938E+03 0.42778E-04 -0.16566E-04 3888 0.342E-02 0.143E-01 RMM: 8 -0.353563756456E+03 0.12648E-03 -0.85164E-05 3648 0.265E-02 0.454E-02 RMM: 9 -0.353563772080E+03 -0.15624E-04 -0.26594E-05 2614 0.147E-02 9788 T= 5369. E= 0.66976456E+03 F= 0.62534784E+03 E0= 0.65443636E+03 EK= 0.44417E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354117326654E+03 -0.55357E+00 -0.14420E-01 8172 0.205E+01 0.342E-01 RMM: 2 -0.354151426876E+03 -0.34100E-01 -0.12255E-01 5197 0.857E-01 0.192E+00 RMM: 3 -0.354126588450E+03 0.24838E-01 -0.15930E-02 5395 0.303E-01 0.344E-01 RMM: 4 -0.354125788412E+03 0.80004E-03 -0.17604E-03 4902 0.894E-02 0.133E-01 RMM: 5 -0.354125737496E+03 0.50916E-04 -0.37746E-04 4439 0.542E-02 0.147E-01 RMM: 6 -0.354125620980E+03 0.11652E-03 -0.15847E-04 3876 0.339E-02 0.868E-02 RMM: 7 -0.354125687538E+03 -0.66559E-04 -0.12146E-04 3879 0.295E-02 0.134E-01 RMM: 8 -0.354125569302E+03 0.11824E-03 -0.60893E-05 3396 0.236E-02 0.247E-02 RMM: 9 -0.354125570138E+03 -0.83514E-06 -0.10577E-05 2479 0.915E-03 9789 T= 4653. E= 0.66348744E+03 F= 0.62499817E+03 E0= 0.65409945E+03 EK= 0.38489E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354958356394E+03 -0.83279E+00 -0.13214E-01 7932 0.197E+01 0.253E-01 RMM: 2 -0.354973486037E+03 -0.15130E-01 -0.95044E-02 5019 0.733E-01 0.106E+00 RMM: 3 -0.354965873285E+03 0.76128E-02 -0.10439E-02 5548 0.216E-01 0.219E-01 RMM: 4 -0.354965599173E+03 0.27411E-03 -0.92192E-04 4700 0.691E-02 0.166E-01 RMM: 5 -0.354965457228E+03 0.14195E-03 -0.45357E-04 4563 0.609E-02 0.132E-01 RMM: 6 -0.354965437993E+03 0.19235E-04 -0.18537E-04 3881 0.357E-02 9790 T= 4470. E= 0.66135454E+03 F= 0.62437942E+03 E0= 0.65348426E+03 EK= 0.36975E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.356088604962E+03 -0.11231E+01 -0.12499E-01 8304 0.201E+01 0.377E-01 RMM: 2 -0.356114390552E+03 -0.25786E-01 -0.66522E-02 5139 0.607E-01 0.180E+00 RMM: 3 -0.356092780360E+03 0.21610E-01 -0.12863E-02 5349 0.280E-01 0.327E-01 RMM: 4 -0.356092234174E+03 0.54619E-03 -0.16683E-03 4717 0.869E-02 0.193E-01 RMM: 5 -0.356092273157E+03 -0.38983E-04 -0.47365E-04 4500 0.564E-02 0.223E-01 RMM: 6 -0.356091973529E+03 0.29963E-03 -0.23958E-04 3886 0.421E-02 0.759E-02 RMM: 7 -0.356092030563E+03 -0.57034E-04 -0.97020E-05 3730 0.268E-02 0.118E-01 RMM: 8 -0.356091951580E+03 0.78983E-04 -0.44659E-05 3222 0.210E-02 0.417E-02 RMM: 9 -0.356091946613E+03 0.49672E-05 -0.12429E-05 2500 0.104E-02 9791 T= 4804. E= 0.66321672E+03 F= 0.62347191E+03 E0= 0.65257869E+03 EK= 0.39745E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.357441582983E+03 -0.13496E+01 -0.13880E-01 8616 0.215E+01 0.418E-01 RMM: 2 -0.357474472357E+03 -0.32889E-01 -0.84824E-02 5121 0.705E-01 0.205E+00 RMM: 3 -0.357446863738E+03 0.27609E-01 -0.16523E-02 5342 0.321E-01 0.414E-01 RMM: 4 -0.357445807681E+03 0.10561E-02 -0.22546E-03 4914 0.104E-01 0.181E-01 RMM: 5 -0.357445826852E+03 -0.19171E-04 -0.36436E-04 3929 0.472E-02 0.199E-01 RMM: 6 -0.357445563811E+03 0.26304E-03 -0.12688E-04 3836 0.323E-02 0.409E-02 RMM: 7 -0.357445553632E+03 0.10179E-04 -0.19270E-05 2553 0.123E-02 9792 T= 5649. E= 0.66906070E+03 F= 0.62232514E+03 E0= 0.65142713E+03 EK= 0.46736E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.358870997391E+03 -0.14254E+01 -0.16524E-01 8544 0.236E+01 0.323E-01 RMM: 2 -0.358885850862E+03 -0.14853E-01 -0.89891E-02 5253 0.710E-01 0.112E+00 RMM: 3 -0.358877447713E+03 0.84031E-02 -0.97280E-03 5459 0.216E-01 0.257E-01 RMM: 4 -0.358877817434E+03 -0.36972E-03 -0.16533E-03 4717 0.961E-02 0.369E-01 RMM: 5 -0.358876939874E+03 0.87756E-03 -0.50187E-04 4426 0.580E-02 0.109E-01 RMM: 6 -0.358876864420E+03 0.75454E-04 -0.75831E-05 3551 0.224E-02 0.485E-02 RMM: 7 -0.358876868335E+03 -0.39145E-05 -0.43201E-05 3056 0.184E-02 9793 T= 6903. E= 0.67819158E+03 F= 0.62108319E+03 E0= 0.65017671E+03 EK= 0.57108E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360129028214E+03 -0.12522E+01 -0.19735E-01 8568 0.260E+01 0.336E-01 RMM: 2 -0.360142360446E+03 -0.13332E-01 -0.11876E-01 5290 0.844E-01 0.864E-01 RMM: 3 -0.360137841232E+03 0.45192E-02 -0.11482E-02 5604 0.222E-01 0.266E-01 RMM: 4 -0.360138130524E+03 -0.28929E-03 -0.14749E-03 4707 0.923E-02 0.379E-01 RMM: 5 -0.360137165408E+03 0.96512E-03 -0.52490E-04 4524 0.599E-02 0.923E-02 RMM: 6 -0.360137113299E+03 0.52109E-04 -0.72662E-05 3523 0.217E-02 0.445E-02 RMM: 7 -0.360137104485E+03 0.88139E-05 -0.25602E-05 2566 0.149E-02 9794 T= 8162. E= 0.68751467E+03 F= 0.61999586E+03 E0= 0.64908029E+03 EK= 0.67519E+02 SP= 0.00E+00 SK= 0.00E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.360942065451E+03 -0.80495E+00 -0.21997E-01 8700 0.275E+01 0.347E-01 RMM: 2 -0.360961104645E+03 -0.19039E-01 -0.12306E-01 5342 0.850E-01 0.123E+00 RMM: 3 -0.360950993403E+03 0.10111E-01 -0.11652E-02 5535 0.234E-01 0.248E-01 RMM: 4 -0.360951277677E+03 -0.28427E-03 -0.18397E-03 4750 0.103E-01 0.360E-01 RMM: 5 -0.360950418801E+03 0.85888E-03 -0.54124E-04 4554 0.610E-02 0.112E-01 RMM: 6 -0.360950340972E+03 0.77828E-04 -0.87889E-05 3658 0.241E-02 0.512E-02 RMM: 7 -0.360950343796E+03 -0.28235E-05 -0.39430E-05 2901 0.176E-02